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 1c2k_1_A DATA FIRST_RESID 16 DATA SEQUENCE IVGGYTcGAN TVPYQVSLNX XSGYHFcGGS LINSQWVVSA AHcYKSGIQV DATA SEQUENCE RLXGEDNINV VEGNEQFISA SKSIVHPSYN SNTLNNDIML IKLKSAASLN DATA SEQUENCE SRVASISLPT XScASXAGTQ cLISGWGNTK SSGTSYPDVL KcLKAPILSD DATA SEQUENCE SScKSAYPGQ ITSNMFcAYL EGKDScQGDS GGPVVcSGKX XXXLQGIVSW DATA SEQUENCE GSXGcQKNKP GVYTKVcNYV SWIKQTIASN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 16 I HA 0.000 4.155 4.170 -0.025 0.000 0.288 16 I C 0.000 176.083 176.117 -0.057 0.000 1.063 16 I CA 0.000 61.265 61.300 -0.059 0.000 1.566 16 I CB 0.000 37.943 38.000 -0.095 0.000 1.214 17 V N 3.499 123.398 119.914 -0.025 0.000 2.667 17 V HA 0.284 4.384 4.120 -0.034 0.000 0.308 17 V C 0.670 176.760 176.094 -0.006 0.000 1.048 17 V CA -1.938 60.349 62.300 -0.020 0.000 0.928 17 V CB 1.506 33.324 31.823 -0.008 0.000 1.004 17 V HN 0.736 8.924 8.190 -0.002 0.000 0.444 18 G N 4.987 113.780 108.800 -0.011 0.000 2.187 18 G HA2 -0.410 3.544 3.960 -0.009 0.000 0.261 18 G HA3 -0.410 3.654 3.960 -0.017 -0.114 0.261 18 G C -0.500 174.407 174.900 0.012 0.000 1.000 18 G CA 0.757 45.852 45.100 -0.008 0.000 0.718 18 G HN 0.783 9.064 8.290 -0.015 0.000 0.519 19 G N -0.950 107.849 108.800 -0.000 0.000 2.583 19 G HA2 0.467 4.446 3.960 0.079 0.000 0.280 19 G HA3 0.467 4.459 3.960 -0.103 -0.094 0.280 19 G C -1.448 173.475 174.900 0.038 0.000 1.376 19 G CA -1.041 44.055 45.100 -0.005 0.000 1.043 19 G HN -0.730 7.491 8.290 -0.023 0.055 0.538 20 Y N -5.748 114.528 120.300 -0.041 0.000 2.698 20 Y HA 0.402 4.930 4.550 -0.037 0.000 0.332 20 Y C -1.832 174.036 175.900 -0.054 0.000 1.119 20 Y CA -2.864 55.212 58.100 -0.041 0.000 1.109 20 Y CB 1.211 39.651 38.460 -0.033 0.000 1.308 20 Y HN 0.443 8.222 8.280 -0.658 0.106 0.499 21 T N 2.160 116.760 114.554 0.078 0.000 2.737 21 T HA 0.222 4.658 4.350 -0.131 -0.165 0.296 21 T C -0.023 174.698 174.700 0.036 0.000 0.922 21 T CA 0.581 62.669 62.100 -0.021 0.000 1.079 21 T CB -0.157 68.730 68.868 0.032 0.000 0.892 21 T HN 0.071 8.427 8.240 0.193 0.000 0.514 22 c N 6.490 125.006 118.600 -0.140 0.000 2.418 22 c HA -0.294 4.326 4.570 0.083 0.000 0.280 22 c C 0.069 174.187 174.090 0.047 0.000 1.223 22 c CA 1.165 57.465 56.329 -0.048 0.000 1.736 22 c CB -0.591 41.813 42.510 -0.177 0.000 2.056 22 c HN 0.297 8.380 8.230 -0.245 0.000 0.459 23 G N -3.074 105.723 108.800 -0.005 0.000 2.331 23 G HA2 -0.151 3.822 3.960 0.022 0.000 0.402 23 G HA3 -0.151 3.827 3.960 0.030 0.000 0.402 23 G C -2.653 172.246 174.900 -0.001 0.000 1.275 23 G CA -1.037 44.073 45.100 0.015 0.000 1.003 23 G HN -0.555 7.705 8.290 -0.051 0.000 0.500 24 A N -0.290 122.536 122.820 0.011 0.000 2.401 24 A HA -0.078 4.447 4.320 0.016 -0.196 0.259 24 A C 0.180 177.764 177.584 0.000 0.000 1.103 24 A CA -0.379 51.665 52.037 0.011 0.000 0.789 24 A CB 0.425 19.435 19.000 0.017 0.000 1.035 24 A HN 0.066 8.226 8.150 0.017 0.000 0.491 25 N N -0.310 118.387 118.700 -0.006 0.000 2.718 25 N HA -0.338 4.381 4.740 -0.036 0.000 0.268 25 N C -0.457 175.035 175.510 -0.030 0.000 0.965 25 N CA 1.386 54.424 53.050 -0.020 0.000 0.817 25 N CB -1.184 37.302 38.487 -0.000 0.000 0.914 25 N HN 0.250 8.802 8.380 0.004 -0.169 0.558 26 T N -1.739 112.784 114.554 -0.052 0.000 3.015 26 T HA 0.005 4.354 4.350 -0.002 0.000 0.250 26 T C -0.969 173.679 174.700 -0.087 0.000 1.057 26 T CA 1.007 63.088 62.100 -0.031 0.000 1.066 26 T CB 0.862 69.727 68.868 -0.004 0.000 0.959 26 T HN -0.120 8.078 8.240 -0.069 0.000 0.488 27 V N 1.129 120.908 119.914 -0.224 0.000 2.271 27 V HA 0.444 4.208 4.120 -0.594 0.000 0.259 27 V C -1.804 173.909 176.094 -0.635 0.000 1.030 27 V CA -4.292 57.664 62.300 -0.573 0.000 0.957 27 V CB 1.314 32.834 31.823 -0.506 0.000 1.186 27 V HN -0.342 7.730 8.190 -0.196 0.000 0.471 28 P HA 0.127 4.548 4.420 -0.111 -0.068 0.237 28 P C -0.550 176.702 177.300 -0.079 0.000 1.178 28 P CA 1.349 64.366 63.100 -0.138 0.000 0.766 28 P CB -0.214 31.485 31.700 -0.000 0.000 0.876 29 Y N -5.734 114.591 120.300 0.041 0.000 2.457 29 Y HA 0.573 5.333 4.550 0.056 -0.176 0.263 29 Y C -0.727 175.211 175.900 0.063 0.000 1.164 29 Y CA -3.747 54.383 58.100 0.051 0.000 1.274 29 Y CB -1.430 37.055 38.460 0.042 0.000 1.097 29 Y HN -0.382 7.182 8.280 -1.057 0.082 0.523 30 Q N 2.468 122.159 119.800 -0.182 0.000 2.314 30 Q HA 0.212 4.729 4.340 0.068 -0.137 0.258 30 Q C -0.358 175.720 176.000 0.130 0.000 0.954 30 Q CA 0.109 55.894 55.803 -0.030 0.000 0.890 30 Q CB 1.490 30.114 28.738 -0.190 0.000 1.210 30 Q HN -0.620 7.215 8.270 -0.428 0.178 0.410 31 V N 0.676 120.708 119.914 0.196 0.000 2.914 31 V HA 0.809 5.174 4.120 0.189 -0.131 0.314 31 V C -1.902 174.344 176.094 0.253 0.000 1.084 31 V CA -2.758 59.658 62.300 0.194 0.000 0.963 31 V CB 4.053 35.942 31.823 0.110 0.000 1.025 31 V HN 0.016 8.319 8.190 0.188 0.000 0.432 32 S N 1.742 117.509 115.700 0.111 0.000 2.482 32 S HA 0.440 5.127 4.470 0.192 -0.102 0.303 32 S C -1.275 173.226 174.600 -0.165 0.000 1.091 32 S CA -2.312 55.893 58.200 0.008 0.000 1.057 32 S CB 1.757 64.801 63.200 -0.260 0.000 1.031 32 S HN 0.130 8.478 8.310 0.063 0.000 0.485 33 L N 6.413 127.396 121.223 -0.400 0.000 2.272 33 L HA 0.511 4.789 4.340 -0.310 -0.124 0.289 33 L C -1.584 174.902 176.870 -0.640 0.000 1.032 33 L CA -0.841 53.647 54.840 -0.587 0.000 0.810 33 L CB 1.130 42.588 42.059 -1.002 0.000 1.205 33 L HN 0.886 8.819 8.230 -0.496 0.000 0.422 38 G N 0.043 108.614 108.800 -0.382 0.000 2.259 38 G HA2 -0.243 3.654 3.960 -0.105 0.000 0.217 38 G HA3 -0.243 3.663 3.960 -0.090 0.000 0.217 38 G C -1.422 173.445 174.900 -0.055 0.000 1.001 38 G CA 0.204 45.198 45.100 -0.177 0.000 0.627 38 G HN 0.134 8.511 8.290 -0.298 -0.266 0.501 39 Y N -7.175 113.114 120.300 -0.018 0.000 2.689 39 Y HA 0.242 4.771 4.550 -0.036 0.000 0.333 39 Y C -2.834 173.099 175.900 0.055 0.000 1.208 39 Y CA -3.480 54.617 58.100 -0.004 0.000 1.055 39 Y CB 1.053 39.508 38.460 -0.008 0.000 1.304 39 Y HN -1.046 6.668 8.280 -0.906 0.022 0.455 40 H N 2.255 121.369 119.070 0.073 0.000 2.690 40 H HA 0.223 4.859 4.556 -0.157 -0.173 0.314 40 H C -0.741 174.707 175.328 0.201 0.000 1.069 40 H CA 0.049 56.077 56.048 -0.035 0.000 1.436 40 H CB 0.548 30.211 29.762 -0.165 0.000 1.462 40 H HN 0.179 8.626 8.280 0.279 0.000 0.511 41 F N 2.673 122.362 119.950 -0.435 0.000 2.778 41 F HA 0.316 4.877 4.527 0.057 0.000 0.314 41 F C -1.625 174.017 175.800 -0.264 0.000 1.073 41 F CA -0.660 57.241 58.000 -0.164 0.000 1.218 41 F CB 1.654 40.630 39.000 -0.040 0.000 1.037 41 F HN 0.320 8.140 8.300 -0.800 0.000 0.594 42 c N -1.850 116.062 118.600 -1.146 0.000 3.320 42 c HA 0.789 5.418 4.570 -0.214 -0.187 0.335 42 c C -1.429 172.392 174.090 -0.449 0.000 1.430 42 c CA -0.631 55.341 56.329 -0.596 0.000 1.271 42 c CB 4.160 46.374 42.510 -0.494 0.000 1.609 42 c HN -0.797 6.431 8.230 -1.671 0.000 0.457 43 G N -1.103 107.650 108.800 -0.079 0.000 2.667 43 G HA2 0.819 5.062 3.960 0.224 0.000 0.310 43 G HA3 0.819 4.905 3.960 0.210 0.000 0.310 43 G C -2.596 172.323 174.900 0.032 0.000 1.259 43 G CA -1.655 43.514 45.100 0.116 0.000 1.019 43 G HN 0.761 9.024 8.290 -0.045 0.000 0.496 44 G N -3.796 105.061 108.800 0.096 0.000 2.550 44 G HA2 0.598 4.862 3.960 0.064 0.000 0.293 44 G HA3 0.598 4.591 3.960 0.055 0.000 0.293 44 G C -2.915 172.066 174.900 0.136 0.000 1.402 44 G CA 0.148 45.297 45.100 0.081 0.000 0.784 44 G HN -0.536 7.850 8.290 0.160 0.000 0.482 45 S N -0.643 115.143 115.700 0.143 0.000 2.557 45 S HA 0.815 5.638 4.470 0.258 -0.198 0.291 45 S C -1.474 173.227 174.600 0.169 0.000 1.116 45 S CA -0.700 57.619 58.200 0.198 0.000 0.992 45 S CB 3.855 67.162 63.200 0.179 0.000 1.028 45 S HN 0.309 8.690 8.310 0.119 0.000 0.484 46 L N 6.047 127.384 121.223 0.191 0.000 2.319 46 L HA 0.269 4.822 4.340 0.145 -0.126 0.280 46 L C -0.665 176.288 176.870 0.139 0.000 1.099 46 L CA -0.279 54.655 54.840 0.156 0.000 0.828 46 L CB 1.457 43.607 42.059 0.151 0.000 1.150 46 L HN 0.557 8.829 8.230 0.247 0.106 0.442 47 I N -0.575 120.074 120.570 0.133 0.000 4.070 47 I HA 0.466 4.830 4.170 0.068 -0.154 0.328 47 I C -0.952 175.224 176.117 0.098 0.000 1.298 47 I CA -0.633 60.724 61.300 0.096 0.000 1.173 47 I CB 0.808 38.854 38.000 0.078 0.000 1.051 47 I HN 0.380 8.686 8.210 0.161 0.000 0.409 48 N N -2.391 116.387 118.700 0.130 0.000 3.533 48 N HA 0.141 4.935 4.740 0.090 0.000 0.229 48 N C 0.140 175.722 175.510 0.120 0.000 1.418 48 N CA -0.577 52.544 53.050 0.119 0.000 0.880 48 N CB 1.051 39.619 38.487 0.135 0.000 1.415 48 N HN -0.901 7.568 8.380 0.149 0.000 0.491 49 S N -0.440 115.314 115.700 0.090 0.000 2.413 49 S HA -0.477 4.026 4.470 0.054 0.000 0.237 49 S C 1.044 175.664 174.600 0.033 0.000 1.044 49 S CA 3.181 61.417 58.200 0.059 0.000 1.024 49 S CB -0.130 63.096 63.200 0.045 0.000 0.829 49 S HN 0.629 8.989 8.310 0.083 0.000 0.475 50 Q N -2.819 117.007 119.800 0.043 0.000 2.217 50 Q HA 0.223 4.479 4.340 -0.140 0.000 0.217 50 Q C -0.925 174.899 176.000 -0.294 0.000 0.844 50 Q CA -0.033 55.692 55.803 -0.129 0.000 0.957 50 Q CB 1.052 29.685 28.738 -0.175 0.000 1.127 50 Q HN -0.020 8.292 8.270 0.122 0.032 0.503 51 W N -1.972 119.332 121.300 0.007 0.000 2.844 51 W HA 0.557 5.388 4.660 0.003 -0.170 0.340 51 W C -1.558 174.972 176.519 0.018 0.000 1.093 51 W CA -0.802 56.545 57.345 0.003 0.000 1.212 51 W CB 3.831 33.281 29.460 -0.018 0.000 1.422 51 W HN -0.412 7.906 8.180 0.231 0.000 0.515 52 V N 1.275 121.354 119.914 0.275 0.000 2.735 52 V HA 0.728 5.119 4.120 0.168 -0.170 0.310 52 V C -1.492 174.715 176.094 0.188 0.000 1.061 52 V CA -1.675 60.733 62.300 0.181 0.000 0.913 52 V CB 3.850 35.738 31.823 0.108 0.000 1.005 52 V HN 0.887 9.270 8.190 0.320 0.000 0.428 53 V N 2.367 122.366 119.914 0.140 0.000 2.581 53 V HA 1.008 5.380 4.120 0.138 -0.169 0.303 53 V C -1.593 174.552 176.094 0.085 0.000 1.041 53 V CA -2.809 59.562 62.300 0.118 0.000 0.907 53 V CB 2.136 34.020 31.823 0.101 0.000 0.994 53 V HN 0.524 8.793 8.190 0.132 0.000 0.442 54 S N 3.808 119.543 115.700 0.059 0.000 2.880 54 S HA 0.583 5.261 4.470 0.015 -0.199 0.308 54 S C -1.802 172.770 174.600 -0.047 0.000 1.195 54 S CA -2.323 55.881 58.200 0.007 0.000 0.866 54 S CB 2.432 65.629 63.200 -0.005 0.000 1.254 54 S HN 0.298 8.653 8.310 0.074 0.000 0.571 55 A N -0.645 122.095 122.820 -0.133 0.000 2.304 55 A HA 0.480 4.849 4.320 -0.191 -0.164 0.301 55 A C 0.385 177.790 177.584 -0.299 0.000 1.132 55 A CA -1.751 50.133 52.037 -0.256 0.000 0.819 55 A CB 1.403 20.131 19.000 -0.453 0.000 1.094 55 A HN 0.413 8.480 8.150 -0.138 0.000 0.492 56 A N 3.368 125.953 122.820 -0.393 0.000 2.067 56 A HA -0.176 3.983 4.320 -0.268 0.000 0.219 56 A C 1.065 178.389 177.584 -0.433 0.000 1.158 56 A CA 2.545 54.262 52.037 -0.533 0.000 0.661 56 A CB -0.291 18.003 19.000 -1.177 0.000 0.801 56 A HN 0.536 8.493 8.150 -0.387 -0.040 0.452 57 H N -6.217 112.702 119.070 -0.251 0.000 2.543 57 H HA 0.035 4.631 4.556 0.067 0.000 0.269 57 H C -0.286 175.101 175.328 0.098 0.000 1.005 57 H CA 0.699 56.753 56.048 0.011 0.000 1.146 57 H CB -1.249 28.583 29.762 0.117 0.000 1.353 57 H HN -0.117 8.098 8.280 -0.452 -0.206 0.595 58 c N -1.685 116.899 118.600 -0.027 0.000 2.906 58 c HA 0.088 4.832 4.570 0.289 0.000 0.274 58 c C 0.183 174.407 174.090 0.224 0.000 1.257 58 c CA -0.216 56.210 56.329 0.162 0.000 1.695 58 c CB -1.200 41.344 42.510 0.056 0.000 1.958 58 c HN -0.226 7.709 8.230 -0.158 0.200 0.619 59 Y N 2.655 122.985 120.300 0.050 0.000 2.610 59 Y HA -0.230 4.361 4.550 0.069 0.000 0.332 59 Y C -1.272 174.630 175.900 0.004 0.000 1.201 59 Y CA 2.101 60.227 58.100 0.042 0.000 1.465 59 Y CB 0.639 39.108 38.460 0.014 0.000 1.283 59 Y HN -0.816 7.402 8.280 0.191 0.177 0.563 60 K N 6.963 126.780 120.400 -0.971 0.000 2.575 60 K HA 0.160 3.992 4.320 -0.813 0.000 0.279 60 K C -2.096 173.985 176.600 -0.865 0.000 0.969 60 K CA -1.269 54.503 56.287 -0.858 0.000 0.868 60 K CB 3.559 35.636 32.500 -0.705 0.000 1.457 60 K HN 0.147 7.870 8.250 -0.879 0.000 0.426 61 S N 0.025 115.386 115.700 -0.565 0.000 2.651 61 S HA 0.100 4.424 4.470 -0.242 0.000 0.291 61 S C 1.016 175.485 174.600 -0.218 0.000 1.141 61 S CA -0.531 57.494 58.200 -0.292 0.000 1.027 61 S CB 0.982 64.091 63.200 -0.152 0.000 1.043 61 S HN 0.100 8.122 8.310 -0.480 0.000 0.530 62 G N 4.237 112.959 108.800 -0.131 0.000 2.289 62 G HA2 -0.226 3.688 3.960 -0.077 0.000 0.280 62 G HA3 -0.226 3.662 3.960 -0.121 0.000 0.280 62 G C -1.548 173.286 174.900 -0.109 0.000 1.089 62 G CA 0.052 45.087 45.100 -0.109 0.000 0.939 62 G HN 0.355 8.590 8.290 -0.092 0.000 0.499 63 I N -0.908 119.619 120.570 -0.071 0.000 2.440 63 I HA 0.073 4.374 4.170 0.008 -0.125 0.294 63 I C -1.846 174.253 176.117 -0.029 0.000 0.995 63 I CA -0.705 60.589 61.300 -0.011 0.000 1.306 63 I CB 1.180 39.213 38.000 0.056 0.000 1.407 63 I HN -0.391 7.781 8.210 -0.063 0.000 0.501 64 Q N 6.094 125.868 119.800 -0.043 0.000 2.353 64 Q HA 0.489 4.902 4.340 -0.048 -0.102 0.268 64 Q C -1.828 174.121 176.000 -0.086 0.000 1.045 64 Q CA -1.411 54.349 55.803 -0.070 0.000 0.811 64 Q CB 4.021 32.690 28.738 -0.114 0.000 1.305 64 Q HN 0.380 8.634 8.270 -0.027 0.000 0.447 65 V N 6.488 126.369 119.914 -0.056 0.000 2.435 65 V HA 0.629 4.883 4.120 -0.076 -0.179 0.290 65 V C -1.147 174.944 176.094 -0.006 0.000 1.030 65 V CA -1.066 61.209 62.300 -0.041 0.000 0.881 65 V CB 1.633 33.451 31.823 -0.008 0.000 0.983 65 V HN 1.103 9.161 8.190 -0.032 0.114 0.445 66 R N 5.757 126.245 120.500 -0.019 0.000 2.393 66 R HA 0.805 5.526 4.340 0.298 -0.203 0.315 66 R C -1.044 175.338 176.300 0.136 0.000 0.952 66 R CA -1.308 54.846 56.100 0.090 0.000 0.842 66 R CB 1.996 32.201 30.300 -0.158 0.000 1.163 66 R HN 0.364 8.602 8.270 -0.054 0.000 0.450 70 E N 0.372 120.684 120.200 0.187 0.000 2.231 70 E HA 0.238 4.694 4.350 0.176 0.000 0.277 70 E C -1.516 175.282 176.600 0.330 0.000 0.999 70 E CA -0.282 56.254 56.400 0.228 0.000 0.827 70 E CB 1.306 31.107 29.700 0.169 0.000 1.101 70 E HN -0.285 8.182 8.360 0.206 0.017 0.393 71 D N 0.384 120.947 120.400 0.272 0.000 3.165 71 D HA 0.180 4.990 4.640 0.283 0.000 0.264 71 D C -0.799 175.712 176.300 0.351 0.000 1.363 71 D CA 1.599 55.759 54.000 0.267 0.000 1.166 71 D CB 2.592 43.469 40.800 0.128 0.000 1.291 71 D HN 0.137 8.625 8.370 0.197 0.000 0.390 72 N N 1.209 120.030 118.700 0.201 0.000 2.437 72 N HA 0.511 5.556 4.740 0.218 -0.174 0.259 72 N C 1.770 177.295 175.510 0.024 0.000 0.983 72 N CA -1.308 51.829 53.050 0.145 0.000 0.937 72 N CB 1.387 39.928 38.487 0.090 0.000 1.122 72 N HN -0.783 7.894 8.380 0.147 -0.209 0.499 73 I N -0.014 120.471 120.570 -0.141 0.000 3.334 73 I HA -0.055 4.104 4.170 -0.269 -0.151 0.282 73 I C -0.513 175.517 176.117 -0.146 0.000 1.313 73 I CA 1.325 62.441 61.300 -0.307 0.000 1.396 73 I CB -0.896 36.689 38.000 -0.692 0.000 1.054 73 I HN 0.560 8.700 8.210 -0.117 0.000 0.495 74 N N -1.777 116.887 118.700 -0.059 0.000 2.184 74 N HA 0.159 4.879 4.740 -0.034 0.000 0.206 74 N C -1.057 174.460 175.510 0.012 0.000 1.151 74 N CA -0.193 52.844 53.050 -0.021 0.000 0.878 74 N CB 2.146 40.631 38.487 -0.004 0.000 1.014 74 N HN -0.021 8.660 8.380 -0.033 -0.321 0.512 75 V N 0.518 120.448 119.914 0.027 0.000 2.577 75 V HA 0.050 4.194 4.120 0.041 0.000 0.303 75 V C -1.481 174.653 176.094 0.066 0.000 1.042 75 V CA -0.886 61.441 62.300 0.044 0.000 0.872 75 V CB 3.070 34.917 31.823 0.041 0.000 0.998 75 V HN -0.755 7.393 8.190 0.022 0.054 0.423 76 V N 7.942 127.900 119.914 0.072 0.000 2.408 76 V HA -0.139 4.273 4.120 0.119 -0.220 0.267 76 V C 0.218 176.330 176.094 0.031 0.000 1.047 76 V CA 0.073 62.420 62.300 0.078 0.000 0.937 76 V CB 0.239 32.107 31.823 0.075 0.000 0.999 76 V HN 0.265 8.491 8.190 0.061 0.000 0.472 77 E N 9.805 130.019 120.200 0.024 0.000 2.499 77 E HA 0.080 4.437 4.350 0.011 0.000 0.207 77 E C 0.178 176.771 176.600 -0.012 0.000 1.034 77 E CA -0.556 55.851 56.400 0.012 0.000 1.098 77 E CB -0.199 29.518 29.700 0.027 0.000 1.148 77 E HN 0.066 8.841 8.360 0.037 -0.394 0.447 78 G N -1.591 107.186 108.800 -0.039 0.000 2.186 78 G HA2 -0.412 3.494 3.960 -0.089 0.000 0.266 78 G HA3 -0.412 3.521 3.960 -0.044 0.000 0.266 78 G C -0.206 174.654 174.900 -0.067 0.000 0.982 78 G CA 1.217 46.279 45.100 -0.062 0.000 0.670 78 G HN 0.314 8.499 8.290 -0.040 0.081 0.533 79 N N -2.837 115.830 118.700 -0.055 0.000 2.187 79 N HA 0.026 4.740 4.740 -0.042 0.000 0.212 79 N C -1.306 174.169 175.510 -0.059 0.000 1.152 79 N CA -0.626 52.400 53.050 -0.041 0.000 0.872 79 N CB 0.719 39.204 38.487 -0.003 0.000 1.025 79 N HN 0.215 8.500 8.380 -0.041 0.070 0.514 80 E N -0.412 119.707 120.200 -0.136 0.000 2.250 80 E HA 0.292 4.801 4.350 -0.030 -0.177 0.265 80 E C -0.365 176.063 176.600 -0.287 0.000 1.033 80 E CA -0.972 55.323 56.400 -0.175 0.000 0.888 80 E CB 1.449 31.021 29.700 -0.213 0.000 1.151 80 E HN -0.542 7.651 8.360 -0.174 0.063 0.412 81 Q N -0.318 119.403 119.800 -0.133 0.000 2.292 81 Q HA 0.323 4.550 4.340 -0.189 0.000 0.270 81 Q C -1.255 174.852 176.000 0.179 0.000 1.024 81 Q CA -1.159 54.599 55.803 -0.075 0.000 0.768 81 Q CB 3.084 31.824 28.738 0.003 0.000 1.250 81 Q HN 0.102 8.392 8.270 0.034 0.000 0.447 82 F N 3.940 123.877 119.950 -0.021 0.000 2.375 82 F HA 0.823 5.514 4.527 -0.033 -0.184 0.361 82 F C 0.020 175.802 175.800 -0.030 0.000 1.117 82 F CA -1.594 56.389 58.000 -0.029 0.000 1.037 82 F CB 1.657 40.638 39.000 -0.032 0.000 1.192 82 F HN 0.317 8.619 8.300 0.002 0.000 0.452 83 I N 3.449 124.103 120.570 0.141 0.000 2.545 83 I HA 0.342 4.543 4.170 0.051 0.000 0.292 83 I C -1.132 174.992 176.117 0.012 0.000 1.040 83 I CA -1.414 59.917 61.300 0.053 0.000 1.068 83 I CB 4.087 42.102 38.000 0.025 0.000 1.251 83 I HN 1.067 9.251 8.210 0.134 0.106 0.424 84 S N 5.656 121.352 115.700 -0.006 0.000 2.632 84 S HA 0.301 4.871 4.470 -0.029 -0.117 0.271 84 S C -0.640 173.934 174.600 -0.044 0.000 1.260 84 S CA 0.060 58.244 58.200 -0.026 0.000 1.010 84 S CB 1.384 64.569 63.200 -0.026 0.000 0.965 84 S HN 0.444 8.753 8.310 -0.002 0.000 0.534 85 A N 1.988 124.781 122.820 -0.045 0.000 2.371 85 A HA 0.248 4.653 4.320 -0.090 -0.138 0.257 85 A C -0.747 176.798 177.584 -0.065 0.000 1.089 85 A CA -0.444 51.556 52.037 -0.062 0.000 0.794 85 A CB 0.844 19.826 19.000 -0.030 0.000 1.029 85 A HN -0.128 8.000 8.150 -0.037 0.000 0.488 86 S N 1.942 117.583 115.700 -0.099 0.000 2.475 86 S HA 0.130 4.567 4.470 -0.055 0.000 0.224 86 S C 0.376 174.946 174.600 -0.051 0.000 1.042 86 S CA 0.604 58.756 58.200 -0.080 0.000 0.935 86 S CB 1.016 64.147 63.200 -0.114 0.000 0.801 86 S HN 0.517 8.630 8.310 -0.149 0.108 0.509 87 K N -0.748 119.615 120.400 -0.061 0.000 2.579 87 K HA 0.299 4.645 4.320 0.043 0.000 0.284 87 K C -2.245 174.393 176.600 0.063 0.000 0.990 87 K CA -0.713 55.581 56.287 0.013 0.000 0.880 87 K CB 2.718 35.233 32.500 0.024 0.000 1.488 87 K HN -0.737 7.441 8.250 -0.119 0.000 0.425 88 S N 0.280 116.064 115.700 0.140 0.000 2.536 88 S HA 0.971 5.761 4.470 0.202 -0.199 0.287 88 S C -0.778 173.930 174.600 0.181 0.000 1.101 88 S CA -0.992 57.329 58.200 0.202 0.000 0.950 88 S CB 2.740 66.131 63.200 0.318 0.000 1.056 88 S HN 0.160 8.553 8.310 0.139 0.000 0.481 89 I N 5.337 126.032 120.570 0.208 0.000 2.468 89 I HA 0.246 4.496 4.170 0.133 0.000 0.285 89 I C -2.277 173.977 176.117 0.228 0.000 1.039 89 I CA -0.660 60.759 61.300 0.198 0.000 1.074 89 I CB 2.850 40.985 38.000 0.225 0.000 1.228 89 I HN 1.026 9.383 8.210 0.244 0.000 0.436 90 V N 6.853 126.841 119.914 0.124 0.000 2.539 90 V HA -0.019 4.154 4.120 0.089 0.000 0.292 90 V C -0.535 175.636 176.094 0.128 0.000 1.045 90 V CA -1.337 61.006 62.300 0.072 0.000 0.945 90 V CB 1.359 33.140 31.823 -0.070 0.000 0.993 90 V HN 0.259 8.480 8.190 0.053 0.000 0.464 91 H N 7.791 126.809 119.070 -0.086 0.000 3.094 91 H HA -0.085 4.116 4.556 -0.592 0.000 0.320 91 H C 0.203 175.446 175.328 -0.142 0.000 1.000 91 H CA 0.518 56.338 56.048 -0.380 0.000 1.413 91 H CB 1.748 31.161 29.762 -0.581 0.000 1.405 91 H HN -0.120 8.185 8.280 0.041 0.000 0.586 92 P HA -0.176 4.195 4.420 -0.082 0.000 0.217 92 P C -0.302 176.966 177.300 -0.054 0.000 1.151 92 P CA 2.050 65.025 63.100 -0.208 0.000 0.849 92 P CB 0.220 31.768 31.700 -0.253 0.000 0.787 93 S N -2.884 112.861 115.700 0.075 0.000 2.614 93 S HA 0.071 4.581 4.470 0.066 0.000 0.230 93 S C -0.962 173.752 174.600 0.189 0.000 0.952 93 S CA -0.288 58.014 58.200 0.170 0.000 0.949 93 S CB 0.197 63.519 63.200 0.203 0.000 0.786 93 S HN -0.520 7.777 8.310 0.015 0.022 0.478 94 Y N 4.030 124.380 120.300 0.083 0.000 2.721 94 Y HA -0.381 4.324 4.550 -0.008 -0.160 0.329 94 Y C -0.902 174.996 175.900 -0.003 0.000 1.211 94 Y CA 0.945 59.055 58.100 0.016 0.000 1.512 94 Y CB 0.563 39.027 38.460 0.007 0.000 1.249 94 Y HN -0.570 7.712 8.280 0.285 0.169 0.549 95 N N 7.923 126.293 118.700 -0.550 0.000 2.476 95 N HA 0.221 4.692 4.740 -0.448 0.000 0.257 95 N C -0.165 174.806 175.510 -0.899 0.000 0.970 95 N CA -1.144 51.575 53.050 -0.551 0.000 0.938 95 N CB 1.528 39.855 38.487 -0.266 0.000 1.144 95 N HN 0.024 8.230 8.380 -0.289 0.000 0.500 96 S N 6.600 121.763 115.700 -0.894 0.000 2.555 96 S HA -0.096 3.980 4.470 -0.656 0.000 0.230 96 S C 0.806 175.237 174.600 -0.282 0.000 0.978 96 S CA 2.283 60.141 58.200 -0.569 0.000 0.934 96 S CB -0.217 62.839 63.200 -0.240 0.000 0.766 96 S HN 0.700 8.595 8.310 -0.691 0.000 0.533 97 N N 1.611 120.142 118.700 -0.282 0.000 2.278 97 N HA -0.054 4.574 4.740 -0.187 0.000 0.181 97 N C 1.178 176.531 175.510 -0.262 0.000 1.023 97 N CA 2.350 55.270 53.050 -0.217 0.000 0.862 97 N CB 0.788 39.172 38.487 -0.172 0.000 1.003 97 N HN -0.134 8.256 8.380 -0.322 -0.204 0.431 98 T N -3.205 111.188 114.554 -0.268 0.000 3.037 98 T HA 0.025 4.161 4.350 -0.356 0.000 0.251 98 T C 0.239 174.726 174.700 -0.354 0.000 1.079 98 T CA 0.200 62.121 62.100 -0.299 0.000 1.067 98 T CB 1.300 70.052 68.868 -0.194 0.000 0.948 98 T HN -0.616 7.691 8.240 -0.257 -0.221 0.496 99 L N -3.283 117.786 121.223 -0.256 0.000 4.089 99 L HA -0.466 4.030 4.340 0.116 -0.086 0.408 99 L C -1.889 175.020 176.870 0.066 0.000 1.184 99 L CA 0.389 55.194 54.840 -0.058 0.000 0.947 99 L CB -2.808 39.125 42.059 -0.210 0.000 2.066 99 L HN -0.308 7.712 8.230 -0.278 0.044 0.851 100 N N -0.892 117.806 118.700 -0.003 0.000 2.514 100 N HA -0.099 4.699 4.740 0.098 0.000 0.277 100 N C -0.328 175.246 175.510 0.107 0.000 1.126 100 N CA 0.520 53.602 53.050 0.054 0.000 0.978 100 N CB 1.731 40.219 38.487 0.003 0.000 1.106 100 N HN -0.890 7.390 8.380 -0.102 0.040 0.461 101 N N -0.670 118.087 118.700 0.095 0.000 2.758 101 N HA -0.449 4.244 4.740 -0.078 0.000 0.248 101 N C -1.666 173.823 175.510 -0.034 0.000 1.076 101 N CA 0.973 53.992 53.050 -0.052 0.000 0.696 101 N CB -0.853 37.560 38.487 -0.124 0.000 0.979 101 N HN 0.716 9.168 8.380 0.119 0.000 0.550 102 D N -1.149 119.264 120.400 0.022 0.000 2.551 102 D HA 0.076 4.633 4.640 -0.139 0.000 0.223 102 D C -1.926 174.243 176.300 -0.218 0.000 1.144 102 D CA -0.202 53.771 54.000 -0.045 0.000 1.025 102 D CB -0.553 40.340 40.800 0.154 0.000 1.085 102 D HN -0.186 8.220 8.370 0.060 0.000 0.506 103 I N 2.281 122.667 120.570 -0.307 0.000 2.802 103 I HA 0.755 4.995 4.170 -0.171 -0.172 0.298 103 I C -3.021 173.046 176.117 -0.082 0.000 1.176 103 I CA -1.683 59.477 61.300 -0.234 0.000 1.025 103 I CB 4.026 41.763 38.000 -0.438 0.000 1.243 103 I HN -0.004 7.976 8.210 -0.312 0.043 0.424 104 M N 4.815 124.447 119.600 0.054 0.000 2.520 104 M HA 0.863 5.660 4.480 0.292 -0.142 0.283 104 M C -2.815 173.616 176.300 0.218 0.000 1.237 104 M CA -0.938 54.466 55.300 0.174 0.000 0.885 104 M CB 4.773 37.418 32.600 0.076 0.000 1.727 104 M HN 0.352 8.662 8.290 0.034 0.000 0.468 105 L N 0.467 121.848 121.223 0.263 0.000 2.346 105 L HA 0.887 5.543 4.340 0.237 -0.174 0.276 105 L C -1.252 175.815 176.870 0.328 0.000 1.006 105 L CA -1.473 53.528 54.840 0.268 0.000 0.817 105 L CB 3.393 45.535 42.059 0.138 0.000 1.272 105 L HN 0.853 9.150 8.230 0.297 0.111 0.421 106 I N 1.359 122.115 120.570 0.310 0.000 2.436 106 I HA 0.561 4.993 4.170 0.140 -0.178 0.289 106 I C -1.584 174.519 176.117 -0.024 0.000 1.010 106 I CA -1.327 60.062 61.300 0.149 0.000 1.098 106 I CB 3.026 41.082 38.000 0.093 0.000 1.266 106 I HN 0.940 9.346 8.210 0.328 0.000 0.434 107 K N 6.606 126.788 120.400 -0.363 0.000 2.130 107 K HA 0.668 4.384 4.320 -1.276 -0.162 0.268 107 K C -1.048 175.273 176.600 -0.466 0.000 0.983 107 K CA -1.822 53.891 56.287 -0.957 0.000 0.893 107 K CB 3.127 34.837 32.500 -1.316 0.000 1.066 107 K HN 0.496 8.617 8.250 -0.216 0.000 0.450 108 L N 4.108 125.075 121.223 -0.426 0.000 2.357 108 L HA 0.163 4.513 4.340 -0.162 -0.107 0.273 108 L C 0.722 177.472 176.870 -0.199 0.000 1.080 108 L CA -0.204 54.503 54.840 -0.222 0.000 0.803 108 L CB 0.510 42.478 42.059 -0.151 0.000 1.174 108 L HN 0.659 8.443 8.230 -0.571 0.103 0.443 109 K N 2.603 122.929 120.400 -0.124 0.000 2.026 109 K HA -0.285 3.972 4.320 -0.105 0.000 0.208 109 K C -0.162 176.390 176.600 -0.080 0.000 1.048 109 K CA 2.766 58.997 56.287 -0.093 0.000 0.929 109 K CB 0.453 32.919 32.500 -0.058 0.000 0.713 109 K HN 0.418 8.608 8.250 -0.099 0.000 0.439 110 S N -3.124 112.537 115.700 -0.065 0.000 2.600 110 S HA 0.118 4.559 4.470 -0.048 0.000 0.300 110 S C -1.529 173.041 174.600 -0.049 0.000 1.087 110 S CA -0.952 57.219 58.200 -0.048 0.000 0.965 110 S CB 2.512 65.695 63.200 -0.028 0.000 1.089 110 S HN -0.573 7.701 8.310 -0.061 0.000 0.496 111 A N 0.426 123.224 122.820 -0.036 0.000 2.371 111 A HA -0.026 4.408 4.320 -0.038 -0.137 0.257 111 A C -0.201 177.376 177.584 -0.010 0.000 1.089 111 A CA -0.317 51.705 52.037 -0.024 0.000 0.794 111 A CB 0.613 19.607 19.000 -0.009 0.000 1.029 111 A HN 0.198 8.331 8.150 -0.029 0.000 0.488 112 A N 1.893 124.713 122.820 0.000 0.000 2.287 112 A HA 0.236 4.626 4.320 0.006 -0.066 0.273 112 A C -0.500 177.092 177.584 0.013 0.000 1.091 112 A CA -1.054 50.989 52.037 0.011 0.000 0.817 112 A CB 1.237 20.253 19.000 0.026 0.000 1.069 112 A HN -0.029 8.121 8.150 0.001 0.000 0.492 113 S N 0.248 115.955 115.700 0.011 0.000 2.422 113 S HA 0.164 4.642 4.470 0.012 0.000 0.308 113 S C -1.027 173.584 174.600 0.019 0.000 1.097 113 S CA -0.867 57.339 58.200 0.011 0.000 1.099 113 S CB 0.244 63.444 63.200 0.001 0.000 0.976 113 S HN 0.227 8.942 8.310 0.009 -0.400 0.471 114 L N 6.597 127.835 121.223 0.025 0.000 2.349 114 L HA 0.076 4.562 4.340 0.039 -0.122 0.275 114 L C -0.367 176.519 176.870 0.027 0.000 1.115 114 L CA -0.049 54.810 54.840 0.033 0.000 0.820 114 L CB 0.184 42.267 42.059 0.040 0.000 1.135 114 L HN 0.326 8.570 8.230 0.023 0.000 0.445 115 N N 4.094 122.811 118.700 0.029 0.000 3.587 115 N HA 0.222 4.975 4.740 0.021 0.000 0.339 115 N C -1.087 174.440 175.510 0.028 0.000 1.636 115 N CA -0.819 52.245 53.050 0.023 0.000 0.788 115 N CB 0.690 39.185 38.487 0.014 0.000 2.205 115 N HN 0.188 8.483 8.380 0.035 0.106 0.600 116 S N -1.406 114.308 115.700 0.023 0.000 2.402 116 S HA -0.194 4.294 4.470 0.030 0.000 0.229 116 S C 0.636 175.251 174.600 0.025 0.000 1.021 116 S CA 2.373 60.588 58.200 0.025 0.000 0.974 116 S CB 0.104 63.315 63.200 0.018 0.000 0.800 116 S HN 0.137 8.458 8.310 0.018 0.000 0.484 117 R N -0.530 119.983 120.500 0.022 0.000 2.210 117 R HA 0.016 4.452 4.340 0.015 -0.087 0.203 117 R C -1.197 175.120 176.300 0.028 0.000 1.010 117 R CA 1.113 57.225 56.100 0.020 0.000 1.008 117 R CB 1.099 31.410 30.300 0.018 0.000 0.923 117 R HN -0.101 8.417 8.270 0.020 -0.237 0.469 118 V N -1.623 118.314 119.914 0.037 0.000 2.419 118 V HA 0.393 4.751 4.120 0.056 -0.204 0.287 118 V C -1.969 174.166 176.094 0.068 0.000 1.017 118 V CA -1.253 61.079 62.300 0.053 0.000 0.844 118 V CB 1.930 33.781 31.823 0.047 0.000 1.011 118 V HN -0.389 7.888 8.190 0.034 -0.067 0.429 119 A N 7.117 129.996 122.820 0.098 0.000 2.479 119 A HA 0.502 4.875 4.320 0.088 0.000 0.296 119 A C -2.213 175.465 177.584 0.156 0.000 1.121 119 A CA -1.464 50.643 52.037 0.116 0.000 0.743 119 A CB 3.222 22.298 19.000 0.127 0.000 1.323 119 A HN 0.377 8.471 8.150 0.108 0.121 0.415 120 S N -1.418 114.355 115.700 0.122 0.000 2.690 120 S HA 0.581 5.267 4.470 0.157 -0.122 0.291 120 S C -0.831 173.812 174.600 0.072 0.000 1.138 120 S CA -0.941 57.329 58.200 0.117 0.000 1.013 120 S CB 2.318 65.567 63.200 0.082 0.000 1.053 120 S HN 0.043 8.409 8.310 0.093 0.000 0.539 121 I N 0.523 121.092 120.570 -0.001 0.000 2.648 121 I HA 0.246 4.303 4.170 -0.188 0.000 0.304 121 I C -1.539 174.522 176.117 -0.094 0.000 1.009 121 I CA -1.996 59.197 61.300 -0.180 0.000 1.114 121 I CB 3.876 41.596 38.000 -0.466 0.000 1.293 121 I HN 0.280 8.513 8.210 0.037 0.000 0.449 122 S N 5.335 120.973 115.700 -0.104 0.000 2.616 122 S HA 0.287 4.738 4.470 -0.033 0.000 0.277 122 S C -0.930 173.640 174.600 -0.049 0.000 1.234 122 S CA -0.725 57.442 58.200 -0.056 0.000 1.028 122 S CB 0.935 64.106 63.200 -0.047 0.000 0.988 122 S HN 0.292 8.517 8.310 -0.142 0.000 0.522 123 L N 2.891 124.100 121.223 -0.023 0.000 2.399 123 L HA 0.164 4.503 4.340 -0.001 0.000 0.266 123 L C -1.665 175.200 176.870 -0.008 0.000 1.114 123 L CA -2.282 52.555 54.840 -0.005 0.000 0.804 123 L CB -0.093 41.971 42.059 0.008 0.000 1.146 123 L HN 0.247 8.465 8.230 -0.019 0.000 0.451 124 P HA 0.158 4.566 4.420 -0.020 0.000 0.279 124 P C -1.195 176.103 177.300 -0.003 0.000 1.252 124 P CA -0.868 62.227 63.100 -0.008 0.000 0.811 124 P CB 0.775 32.470 31.700 -0.008 0.000 1.035 128 c N 0.859 119.436 118.600 -0.039 0.000 2.443 128 c HA 0.103 4.637 4.570 -0.060 0.000 0.369 128 c C 0.148 174.180 174.090 -0.096 0.000 1.241 128 c CA -0.394 55.897 56.329 -0.063 0.000 2.413 128 c CB 0.516 42.994 42.510 -0.053 0.000 2.451 128 c HN -0.027 8.183 8.230 -0.034 0.000 0.595 129 A N 2.358 125.084 122.820 -0.157 0.000 2.293 129 A HA 0.097 4.343 4.320 -0.123 0.000 0.302 129 A C -0.899 176.579 177.584 -0.177 0.000 1.119 129 A CA -0.240 51.694 52.037 -0.173 0.000 0.823 129 A CB 0.984 19.846 19.000 -0.231 0.000 1.097 129 A HN 0.196 8.228 8.150 -0.196 0.000 0.491 133 G N 1.559 110.316 108.800 -0.071 0.000 2.493 133 G HA2 -0.224 3.704 3.960 -0.053 0.000 0.206 133 G HA3 -0.224 3.706 3.960 -0.049 0.000 0.206 133 G C 0.100 174.960 174.900 -0.067 0.000 1.109 133 G CA -0.283 44.782 45.100 -0.059 0.000 0.689 133 G HN 0.512 8.650 8.290 -0.079 0.105 0.516 134 T N 5.719 120.224 114.554 -0.082 0.000 2.939 134 T HA -0.280 4.032 4.350 -0.063 0.000 0.312 134 T C -0.747 173.905 174.700 -0.081 0.000 1.064 134 T CA 2.724 64.774 62.100 -0.084 0.000 1.136 134 T CB 0.294 69.094 68.868 -0.112 0.000 1.035 134 T HN -0.426 7.689 8.240 -0.090 0.071 0.538 135 Q N 3.724 123.491 119.800 -0.055 0.000 2.256 135 Q HA 0.150 4.576 4.340 -0.040 -0.111 0.254 135 Q C -0.942 175.037 176.000 -0.035 0.000 0.916 135 Q CA -0.260 55.523 55.803 -0.033 0.000 0.932 135 Q CB 1.234 29.970 28.738 -0.004 0.000 1.207 135 Q HN 0.284 8.525 8.270 -0.047 0.000 0.426 136 c N 2.138 120.718 118.600 -0.033 0.000 2.848 136 c HA 0.712 5.412 4.570 -0.027 -0.146 0.317 136 c C -1.605 172.489 174.090 0.006 0.000 1.260 136 c CA -1.300 55.011 56.329 -0.030 0.000 1.656 136 c CB 4.173 46.641 42.510 -0.069 0.000 2.174 136 c HN 0.978 9.069 8.230 -0.032 0.119 0.479 137 L N 0.949 122.184 121.223 0.019 0.000 2.333 137 L HA 0.851 5.408 4.340 0.050 -0.187 0.280 137 L C -2.313 174.571 176.870 0.023 0.000 1.004 137 L CA -1.324 53.542 54.840 0.043 0.000 0.820 137 L CB 3.589 45.696 42.059 0.080 0.000 1.247 137 L HN 0.661 8.794 8.230 0.013 0.105 0.416 138 I N 7.584 128.154 120.570 -0.002 0.000 2.433 138 I HA 0.840 5.259 4.170 0.012 -0.241 0.292 138 I C -1.312 174.774 176.117 -0.053 0.000 1.001 138 I CA -1.433 59.862 61.300 -0.007 0.000 1.119 138 I CB 2.277 40.277 38.000 -0.000 0.000 1.289 138 I HN 0.847 9.057 8.210 0.000 0.000 0.438 139 S N 3.352 119.013 115.700 -0.064 0.000 2.632 139 S HA 1.061 5.566 4.470 -0.234 -0.175 0.289 139 S C -0.970 173.503 174.600 -0.211 0.000 1.115 139 S CA -2.036 56.049 58.200 -0.191 0.000 0.889 139 S CB 3.789 66.845 63.200 -0.240 0.000 1.116 139 S HN -0.217 8.087 8.310 -0.010 0.000 0.486 140 G N -1.672 106.901 108.800 -0.378 0.000 2.320 140 G HA2 0.068 3.789 3.960 -0.398 0.000 0.297 140 G HA3 0.068 4.107 3.960 -0.076 -0.124 0.297 140 G C -2.510 172.143 174.900 -0.412 0.000 1.344 140 G CA 0.534 45.441 45.100 -0.322 0.000 0.851 140 G HN 0.094 8.095 8.290 -0.482 0.000 0.567 141 W N 0.660 121.922 121.300 -0.065 0.000 2.862 141 W HA 0.439 5.032 4.660 -0.111 0.000 0.426 141 W C -0.025 176.471 176.519 -0.037 0.000 0.950 141 W CA -1.095 56.174 57.345 -0.126 0.000 2.150 141 W CB 0.276 29.526 29.460 -0.351 0.000 1.161 141 W HN 0.333 8.747 8.180 0.391 0.000 0.696 142 G N 0.809 109.697 108.800 0.147 0.000 2.616 142 G HA2 -0.015 4.045 3.960 0.186 0.000 0.268 142 G HA3 -0.015 4.313 3.960 0.064 -0.329 0.268 142 G C -0.752 173.957 174.900 -0.318 0.000 1.213 142 G CA -0.680 44.438 45.100 0.030 0.000 0.926 142 G HN -0.280 8.259 8.290 0.097 -0.191 0.523 143 N N -0.092 118.193 118.700 -0.691 0.000 2.237 143 N HA -0.284 3.962 4.740 -1.203 -0.228 0.245 143 N C 0.656 175.979 175.510 -0.311 0.000 1.239 143 N CA 1.534 54.124 53.050 -0.767 0.000 0.842 143 N CB 0.491 38.692 38.487 -0.476 0.000 1.089 143 N HN -0.048 7.992 8.380 -0.567 0.000 0.454 144 T N -1.643 112.775 114.554 -0.228 0.000 3.040 144 T HA 0.193 4.712 4.350 -0.098 -0.228 0.266 144 T C -0.140 174.522 174.700 -0.063 0.000 1.005 144 T CA 0.271 62.305 62.100 -0.110 0.000 0.906 144 T CB 1.723 70.541 68.868 -0.083 0.000 1.082 144 T HN 0.268 8.354 8.240 -0.257 0.000 0.531 145 K N 2.197 122.561 120.400 -0.061 0.000 2.274 145 K HA 0.392 4.703 4.320 -0.015 0.000 0.262 145 K C -1.051 175.543 176.600 -0.010 0.000 0.961 145 K CA -1.900 54.375 56.287 -0.021 0.000 0.833 145 K CB 1.282 33.780 32.500 -0.003 0.000 1.102 145 K HN -0.336 8.214 8.250 -0.095 -0.357 0.436 146 S N 2.374 118.075 115.700 0.000 0.000 2.335 146 S HA -0.252 4.225 4.470 0.012 0.000 0.217 146 S C 0.273 174.884 174.600 0.018 0.000 1.032 146 S CA 2.797 61.004 58.200 0.011 0.000 0.985 146 S CB 0.430 63.638 63.200 0.014 0.000 0.896 146 S HN 0.329 8.638 8.310 -0.001 0.000 0.445 147 S N 0.616 116.326 115.700 0.017 0.000 2.921 147 S HA 0.121 4.606 4.470 0.025 0.000 0.244 147 S C -0.698 173.915 174.600 0.023 0.000 1.291 147 S CA -0.259 57.954 58.200 0.021 0.000 1.010 147 S CB -0.531 62.680 63.200 0.018 0.000 1.255 147 S HN -0.235 8.083 8.310 0.013 0.000 0.492 148 G N 3.133 111.950 108.800 0.029 0.000 2.350 148 G HA2 -0.140 3.844 3.960 0.039 0.000 0.282 148 G HA3 -0.140 3.839 3.960 0.031 0.000 0.282 148 G C -2.730 172.199 174.900 0.049 0.000 1.314 148 G CA -0.206 44.915 45.100 0.036 0.000 0.915 148 G HN -0.659 7.623 8.290 0.032 0.027 0.499 149 T N -0.529 114.065 114.554 0.067 0.000 2.921 149 T HA 0.152 4.711 4.350 0.088 -0.157 0.297 149 T C -1.821 172.950 174.700 0.118 0.000 1.013 149 T CA -0.255 61.914 62.100 0.114 0.000 0.990 149 T CB 2.472 71.443 68.868 0.171 0.000 1.023 149 T HN -0.082 8.195 8.240 0.061 0.000 0.447 150 S N 4.505 120.259 115.700 0.090 0.000 2.592 150 S HA 0.207 4.769 4.470 0.153 0.000 0.275 150 S C -2.395 172.223 174.600 0.031 0.000 1.169 150 S CA 0.186 58.441 58.200 0.092 0.000 0.958 150 S CB 1.474 64.690 63.200 0.027 0.000 1.095 150 S HN 0.544 9.192 8.310 -0.012 -0.345 0.471 151 Y N 5.036 125.364 120.300 0.046 0.000 2.328 151 Y HA 0.330 4.923 4.550 0.072 0.000 0.333 151 Y C -1.480 174.458 175.900 0.063 0.000 0.958 151 Y CA -2.800 55.337 58.100 0.063 0.000 1.167 151 Y CB 1.872 40.372 38.460 0.066 0.000 1.151 151 Y HN 0.212 8.670 8.280 0.297 0.000 0.470 152 P HA 0.236 4.718 4.420 0.102 0.000 0.277 152 P C -1.962 175.454 177.300 0.192 0.000 1.271 152 P CA -0.891 62.281 63.100 0.120 0.000 0.795 152 P CB 2.305 34.040 31.700 0.059 0.000 1.101 153 D N -3.241 117.266 120.400 0.178 0.000 2.479 153 D HA 0.089 4.831 4.640 0.170 0.000 0.216 153 D C -1.065 175.429 176.300 0.323 0.000 1.110 153 D CA 0.652 54.766 54.000 0.190 0.000 0.841 153 D CB 1.416 42.273 40.800 0.095 0.000 1.040 153 D HN 0.331 8.782 8.370 0.135 0.000 0.505 154 V N -6.006 114.065 119.914 0.262 0.000 2.850 154 V HA 0.699 5.272 4.120 0.334 -0.253 0.315 154 V C -0.449 175.645 176.094 0.001 0.000 1.064 154 V CA -2.504 59.921 62.300 0.207 0.000 0.979 154 V CB 1.977 33.847 31.823 0.078 0.000 1.039 154 V HN -0.887 7.408 8.190 0.175 0.000 0.452 155 L N 2.340 123.432 121.223 -0.219 0.000 2.416 155 L HA -0.003 3.583 4.340 -1.256 0.000 0.272 155 L C -0.269 176.343 176.870 -0.430 0.000 1.161 155 L CA 0.593 55.016 54.840 -0.696 0.000 0.845 155 L CB 0.656 42.329 42.059 -0.643 0.000 1.119 155 L HN 0.025 8.235 8.230 -0.034 0.000 0.464 156 K N 6.042 126.158 120.400 -0.473 0.000 2.259 156 K HA 0.732 5.022 4.320 -0.355 -0.183 0.252 156 K C -1.184 175.148 176.600 -0.446 0.000 0.936 156 K CA -1.552 54.509 56.287 -0.377 0.000 0.810 156 K CB 3.054 35.397 32.500 -0.261 0.000 1.143 156 K HN -0.024 7.868 8.250 -0.598 0.000 0.427 157 c N 1.088 119.313 118.600 -0.624 0.000 2.667 157 c HA 0.986 5.493 4.570 -0.399 -0.176 0.323 157 c C -1.816 171.925 174.090 -0.582 0.000 1.214 157 c CA -1.035 54.900 56.329 -0.658 0.000 1.721 157 c CB 3.756 45.726 42.510 -0.899 0.000 2.275 157 c HN 0.878 8.534 8.230 -0.770 0.111 0.491 158 L N 0.560 121.645 121.223 -0.230 0.000 2.543 158 L HA 0.443 4.834 4.340 0.086 0.000 0.265 158 L C -2.573 174.361 176.870 0.108 0.000 0.945 158 L CA 0.262 55.108 54.840 0.008 0.000 0.869 158 L CB 4.258 46.330 42.059 0.020 0.000 1.294 158 L HN 0.549 8.673 8.230 -0.175 0.000 0.405 159 K N 7.162 127.685 120.400 0.206 0.000 2.234 159 K HA 0.835 5.457 4.320 0.122 -0.229 0.277 159 K C -1.367 175.358 176.600 0.209 0.000 1.038 159 K CA -0.742 55.649 56.287 0.173 0.000 0.888 159 K CB 1.058 33.663 32.500 0.175 0.000 1.091 159 K HN 0.251 8.660 8.250 0.265 0.000 0.467 160 A N 3.215 126.102 122.820 0.112 0.000 2.515 160 A HA 0.666 5.043 4.320 0.095 0.000 0.298 160 A C -3.148 174.382 177.584 -0.090 0.000 1.059 160 A CA -3.073 48.980 52.037 0.026 0.000 0.698 160 A CB 3.013 22.021 19.000 0.014 0.000 1.289 160 A HN 0.805 8.879 8.150 0.056 0.109 0.404 161 P HA 0.787 5.357 4.420 -0.105 -0.213 0.281 161 P C -1.052 176.170 177.300 -0.131 0.000 1.264 161 P CA -1.414 61.596 63.100 -0.151 0.000 0.824 161 P CB 1.633 33.242 31.700 -0.152 0.000 1.092 162 I N -0.814 119.693 120.570 -0.105 0.000 2.474 162 I HA -0.028 4.263 4.170 0.023 -0.108 0.287 162 I C 0.260 176.351 176.117 -0.043 0.000 1.048 162 I CA 0.344 61.605 61.300 -0.065 0.000 1.383 162 I CB 0.382 38.270 38.000 -0.186 0.000 1.412 162 I HN 0.124 8.265 8.210 -0.115 0.000 0.531 163 L N 6.731 127.964 121.223 0.017 0.000 2.431 163 L HA 0.220 4.542 4.340 -0.030 0.000 0.260 163 L C -0.275 176.608 176.870 0.022 0.000 1.098 163 L CA -0.876 53.967 54.840 0.004 0.000 0.800 163 L CB 0.712 42.783 42.059 0.020 0.000 1.210 163 L HN 0.400 8.580 8.230 0.092 0.106 0.465 164 S N -0.284 115.424 115.700 0.012 0.000 2.592 164 S HA -0.018 4.459 4.470 0.010 0.000 0.271 164 S C 0.591 175.215 174.600 0.040 0.000 1.326 164 S CA -0.401 57.809 58.200 0.017 0.000 1.024 164 S CB 1.655 64.860 63.200 0.008 0.000 0.921 164 S HN -0.134 8.177 8.310 0.003 0.000 0.527 165 D N 3.250 123.677 120.400 0.044 0.000 2.144 165 D HA -0.266 4.425 4.640 0.085 0.000 0.199 165 D C 1.794 178.126 176.300 0.054 0.000 0.984 165 D CA 4.274 58.311 54.000 0.062 0.000 0.834 165 D CB -0.077 40.757 40.800 0.057 0.000 0.955 165 D HN 0.671 9.060 8.370 0.032 0.000 0.465 166 S N -1.231 114.491 115.700 0.036 0.000 2.368 166 S HA -0.298 4.193 4.470 0.035 0.000 0.225 166 S C 1.996 176.611 174.600 0.026 0.000 1.030 166 S CA 3.536 61.754 58.200 0.030 0.000 0.999 166 S CB -0.185 63.027 63.200 0.019 0.000 0.844 166 S HN 0.136 8.460 8.310 0.029 0.003 0.459 167 S N 3.049 118.762 115.700 0.021 0.000 2.423 167 S HA -0.095 4.376 4.470 0.001 0.000 0.231 167 S C 1.979 176.588 174.600 0.015 0.000 1.014 167 S CA 2.798 61.004 58.200 0.010 0.000 0.965 167 S CB -0.670 62.533 63.200 0.005 0.000 0.785 167 S HN -0.234 8.018 8.310 0.022 0.071 0.495 168 c N 3.647 122.276 118.600 0.049 0.000 2.489 168 c HA -0.207 4.414 4.570 0.085 0.000 0.279 168 c C 1.696 175.856 174.090 0.116 0.000 1.266 168 c CA 2.445 58.828 56.329 0.091 0.000 1.707 168 c CB -1.534 41.045 42.510 0.114 0.000 2.059 168 c HN -0.081 8.048 8.230 0.052 0.132 0.481 169 K N -0.803 119.656 120.400 0.100 0.000 2.211 169 K HA -0.320 4.098 4.320 0.165 0.000 0.203 169 K C 2.159 178.800 176.600 0.067 0.000 1.050 169 K CA 3.039 59.392 56.287 0.109 0.000 0.945 169 K CB -0.114 32.439 32.500 0.087 0.000 0.732 169 K HN 0.313 8.505 8.250 0.083 0.108 0.451 170 S N -0.522 115.192 115.700 0.024 0.000 2.428 170 S HA -0.212 4.264 4.470 0.010 0.000 0.230 170 S C 0.682 175.246 174.600 -0.059 0.000 1.014 170 S CA 2.715 60.912 58.200 -0.006 0.000 0.957 170 S CB -0.107 63.086 63.200 -0.012 0.000 0.784 170 S HN -0.249 8.057 8.310 0.023 0.018 0.499 171 A N 0.013 122.760 122.820 -0.123 0.000 1.929 171 A HA -0.062 4.076 4.320 -0.303 0.000 0.216 171 A C -0.396 176.864 177.584 -0.539 0.000 1.176 171 A CA 1.857 53.669 52.037 -0.375 0.000 0.628 171 A CB 0.494 19.189 19.000 -0.508 0.000 0.816 171 A HN -0.684 7.308 8.150 -0.069 0.117 0.444 172 Y N -5.167 115.170 120.300 0.063 0.000 2.658 172 Y HA 0.477 5.103 4.550 0.126 0.000 0.362 172 Y C -2.621 173.346 175.900 0.112 0.000 1.017 172 Y CA -3.176 54.999 58.100 0.125 0.000 1.134 172 Y CB 0.055 38.644 38.460 0.216 0.000 1.144 172 Y HN -0.576 7.658 8.280 0.062 0.084 0.655 173 P HA -0.031 4.569 4.420 0.107 -0.116 0.267 173 P C 0.766 178.135 177.300 0.115 0.000 1.205 173 P CA 0.780 63.948 63.100 0.114 0.000 0.765 173 P CB 0.174 31.914 31.700 0.066 0.000 0.828 174 G N 3.970 112.829 108.800 0.098 0.000 2.155 174 G HA2 -0.380 3.618 3.960 0.063 0.000 0.257 174 G HA3 -0.380 3.614 3.960 0.056 0.000 0.257 174 G C 0.037 174.987 174.900 0.084 0.000 0.983 174 G CA 0.799 45.944 45.100 0.074 0.000 0.676 174 G HN 0.543 8.890 8.290 0.095 0.000 0.528 175 Q N -2.380 117.506 119.800 0.144 0.000 2.280 175 Q HA 0.087 4.463 4.340 0.060 0.000 0.244 175 Q C -0.359 175.770 176.000 0.215 0.000 0.847 175 Q CA -0.232 55.663 55.803 0.152 0.000 0.945 175 Q CB 1.724 30.600 28.738 0.230 0.000 1.115 175 Q HN -0.316 8.009 8.270 0.182 0.054 0.513 176 I N 0.134 120.835 120.570 0.218 0.000 2.396 176 I HA 0.129 4.459 4.170 0.266 0.000 0.292 176 I C 0.014 176.214 176.117 0.138 0.000 0.999 176 I CA -2.514 58.910 61.300 0.206 0.000 1.310 176 I CB -0.248 37.865 38.000 0.189 0.000 1.404 176 I HN -0.468 7.861 8.210 0.198 0.000 0.496 177 T N 0.207 114.840 114.554 0.132 0.000 2.919 177 T HA 0.401 4.796 4.350 0.075 0.000 0.282 177 T C 0.987 175.743 174.700 0.094 0.000 1.020 177 T CA -2.004 60.151 62.100 0.092 0.000 0.994 177 T CB 2.623 71.536 68.868 0.075 0.000 1.180 177 T HN -0.410 7.927 8.240 0.161 0.000 0.566 178 S N -0.282 115.459 115.700 0.067 0.000 2.507 178 S HA -0.231 4.282 4.470 0.071 0.000 0.235 178 S C 0.474 175.119 174.600 0.076 0.000 0.988 178 S CA 2.164 60.400 58.200 0.060 0.000 0.944 178 S CB -0.294 62.921 63.200 0.025 0.000 0.762 178 S HN 0.440 8.780 8.310 0.051 0.000 0.526 179 N N 0.322 119.078 118.700 0.094 0.000 2.268 179 N HA 0.147 4.960 4.740 0.122 0.000 0.204 179 N C -1.614 174.015 175.510 0.199 0.000 1.124 179 N CA -0.380 52.758 53.050 0.146 0.000 0.838 179 N CB 0.809 39.399 38.487 0.172 0.000 0.994 179 N HN -0.674 7.684 8.380 0.089 0.075 0.489 180 M N -1.259 118.446 119.600 0.174 0.000 2.572 180 M HA 0.805 5.562 4.480 0.091 -0.223 0.299 180 M C -2.134 174.280 176.300 0.190 0.000 1.205 180 M CA -0.324 55.056 55.300 0.133 0.000 0.876 180 M CB 4.906 37.571 32.600 0.108 0.000 1.728 180 M HN -0.680 7.622 8.290 0.156 0.082 0.458 181 F N -5.023 114.982 119.950 0.091 0.000 2.664 181 F HA 0.607 5.171 4.527 0.062 0.000 0.317 181 F C -2.947 172.919 175.800 0.109 0.000 1.108 181 F CA -2.394 55.657 58.000 0.084 0.000 0.957 181 F CB 2.286 41.331 39.000 0.075 0.000 1.365 181 F HN 0.035 8.196 8.300 -0.231 0.000 0.475 182 c N -0.963 117.833 118.600 0.326 0.000 2.561 182 c HA 1.032 5.877 4.570 0.137 -0.193 0.319 182 c C -1.331 172.972 174.090 0.355 0.000 1.198 182 c CA -1.198 55.267 56.329 0.226 0.000 1.665 182 c CB 3.656 46.239 42.510 0.122 0.000 2.258 182 c HN 0.792 9.261 8.230 0.399 0.000 0.493 183 A N 2.412 125.430 122.820 0.329 0.000 2.442 183 A HA 0.778 5.291 4.320 0.072 -0.149 0.284 183 A C -2.308 175.341 177.584 0.108 0.000 1.058 183 A CA -0.450 51.680 52.037 0.155 0.000 0.738 183 A CB 2.987 21.997 19.000 0.015 0.000 1.242 183 A HN 0.241 8.633 8.150 0.403 0.000 0.421 184 Y N 2.256 122.587 120.300 0.051 0.000 2.310 184 Y HA -0.023 4.546 4.550 0.032 0.000 0.326 184 Y C 1.249 177.164 175.900 0.026 0.000 1.151 184 Y CA -0.941 57.179 58.100 0.033 0.000 1.195 184 Y CB 1.119 39.595 38.460 0.028 0.000 1.210 184 Y HN 0.025 8.463 8.280 0.263 0.000 0.483 185 L N 3.106 124.405 121.223 0.127 0.000 2.418 185 L HA -0.148 4.224 4.340 0.053 0.000 0.218 185 L C 1.081 177.997 176.870 0.076 0.000 1.125 185 L CA 1.727 56.609 54.840 0.069 0.000 0.835 185 L CB -0.337 41.740 42.059 0.030 0.000 0.953 185 L HN 0.525 8.824 8.230 0.114 0.000 0.454 186 E N -1.761 118.505 120.200 0.110 0.000 2.478 186 E HA -0.157 4.221 4.350 0.047 0.000 0.198 186 E C 0.213 176.848 176.600 0.060 0.000 1.046 186 E CA -0.033 56.408 56.400 0.069 0.000 0.870 186 E CB -0.615 29.123 29.700 0.062 0.000 0.818 186 E HN 0.190 8.613 8.360 0.163 0.035 0.527 187 G N 0.360 109.213 108.800 0.088 0.000 3.399 187 G HA2 -0.431 3.665 3.960 0.083 0.000 0.685 187 G HA3 -0.431 3.588 3.960 0.046 -0.032 0.685 187 G C -0.585 174.347 174.900 0.053 0.000 0.952 187 G CA -0.359 44.783 45.100 0.069 0.000 0.793 187 G HN -0.741 7.437 8.290 0.128 0.189 0.492 188 K N 3.232 123.643 120.400 0.019 0.000 2.421 188 K HA -0.534 3.904 4.320 0.029 -0.101 0.244 188 K C -0.531 176.155 176.600 0.143 0.000 1.092 188 K CA 1.011 57.330 56.287 0.053 0.000 1.129 188 K CB 0.037 32.542 32.500 0.008 0.000 0.690 188 K HN 0.193 8.464 8.250 0.034 0.000 0.412 189 D N -0.538 119.930 120.400 0.113 0.000 2.913 189 D HA 0.185 4.931 4.640 0.177 0.000 0.293 189 D C -1.833 174.521 176.300 0.091 0.000 1.238 189 D CA -0.496 53.581 54.000 0.128 0.000 0.738 189 D CB 3.598 44.458 40.800 0.100 0.000 1.254 189 D HN 0.091 8.506 8.370 0.075 0.000 0.429 190 S N -1.625 114.140 115.700 0.109 0.000 2.655 190 S HA 0.096 4.607 4.470 0.068 0.000 0.265 190 S C -1.269 173.353 174.600 0.037 0.000 1.240 190 S CA 0.038 58.288 58.200 0.083 0.000 0.986 190 S CB 1.136 64.416 63.200 0.134 0.000 0.985 190 S HN 0.238 8.631 8.310 0.139 0.000 0.562 191 c N -1.460 117.160 118.600 0.032 0.000 3.293 191 c HA 0.268 4.855 4.570 0.028 0.000 0.362 191 c C -1.452 172.675 174.090 0.060 0.000 1.539 191 c CA -0.435 55.909 56.329 0.025 0.000 1.201 191 c CB 3.031 45.532 42.510 -0.015 0.000 1.770 191 c HN 0.177 8.666 8.230 0.044 -0.233 0.440 192 Q N 1.686 121.531 119.800 0.076 0.000 2.333 192 Q HA -0.368 4.067 4.340 0.158 0.000 0.299 192 Q C 0.919 177.044 176.000 0.209 0.000 1.067 192 Q CA 2.517 58.413 55.803 0.155 0.000 0.943 192 Q CB 0.603 29.457 28.738 0.193 0.000 1.233 192 Q HN 0.300 8.602 8.270 0.053 0.000 0.401 193 G N 5.415 114.384 108.800 0.282 0.000 3.079 193 G HA2 -0.501 3.692 3.960 0.389 0.000 0.214 193 G HA3 -0.501 3.735 3.960 0.461 0.000 0.214 193 G C 0.616 175.704 174.900 0.312 0.000 1.335 193 G CA 0.855 46.179 45.100 0.374 0.000 0.822 193 G HN 0.750 9.197 8.290 0.261 0.000 0.545 194 D N 3.749 124.285 120.400 0.228 0.000 2.389 194 D HA -0.236 4.542 4.640 0.229 0.000 0.221 194 D C 0.293 176.691 176.300 0.163 0.000 0.974 194 D CA 1.506 55.616 54.000 0.185 0.000 0.923 194 D CB -0.406 40.459 40.800 0.109 0.000 0.892 194 D HN -0.344 8.053 8.370 0.179 0.080 0.518 195 S N -1.630 114.178 115.700 0.179 0.000 2.558 195 S HA -0.293 4.405 4.470 0.170 -0.126 0.293 195 S C 1.165 175.796 174.600 0.051 0.000 1.292 195 S CA 2.168 60.470 58.200 0.171 0.000 1.063 195 S CB -0.595 62.816 63.200 0.352 0.000 0.831 195 S HN -0.263 8.075 8.310 0.207 0.096 0.499 196 G N 4.792 113.592 108.800 -0.000 0.000 2.268 196 G HA2 -0.412 3.592 3.960 -0.068 0.000 0.240 196 G HA3 -0.412 3.646 3.960 -0.062 -0.136 0.240 196 G C -0.150 174.777 174.900 0.046 0.000 1.010 196 G CA 0.262 45.345 45.100 -0.029 0.000 0.618 196 G HN 0.591 8.893 8.290 0.020 0.000 0.516 197 G N 1.428 110.281 108.800 0.088 0.000 2.606 197 G HA2 0.258 4.288 3.960 0.117 0.000 0.252 197 G HA3 0.258 4.284 3.960 0.111 0.000 0.252 197 G C -2.527 172.450 174.900 0.128 0.000 1.206 197 G CA -1.835 43.333 45.100 0.113 0.000 0.861 197 G HN -0.380 7.875 8.290 0.096 0.092 0.561 198 P HA 0.271 4.902 4.420 0.137 -0.129 0.277 198 P C -1.498 175.872 177.300 0.116 0.000 1.240 198 P CA -0.724 62.468 63.100 0.155 0.000 0.798 198 P CB 1.403 33.258 31.700 0.260 0.000 0.979 199 V N 1.404 121.369 119.914 0.086 0.000 2.462 199 V HA 0.359 4.662 4.120 -0.008 -0.188 0.288 199 V C -1.163 174.949 176.094 0.030 0.000 1.020 199 V CA -0.359 61.952 62.300 0.019 0.000 0.857 199 V CB 2.309 34.117 31.823 -0.025 0.000 1.013 199 V HN -0.273 7.975 8.190 0.095 0.000 0.431 200 V N 8.262 128.183 119.914 0.012 0.000 2.495 200 V HA 0.728 5.014 4.120 -0.053 -0.198 0.298 200 V C -1.403 174.672 176.094 -0.032 0.000 1.031 200 V CA -1.410 60.871 62.300 -0.032 0.000 0.871 200 V CB 3.403 35.190 31.823 -0.060 0.000 0.988 200 V HN 0.703 8.909 8.190 0.028 0.000 0.432 201 c N 6.390 124.957 118.600 -0.056 0.000 2.482 201 c HA 0.629 5.293 4.570 -0.046 -0.121 0.317 201 c C 0.668 174.723 174.090 -0.059 0.000 1.197 201 c CA -1.761 54.531 56.329 -0.063 0.000 1.432 201 c CB 2.014 44.463 42.510 -0.102 0.000 2.062 201 c HN 0.643 8.834 8.230 -0.066 0.000 0.471 202 S N 4.986 120.660 115.700 -0.043 0.000 3.549 202 S HA -0.440 4.015 4.470 -0.025 0.000 0.366 202 S C -0.149 174.428 174.600 -0.039 0.000 1.012 202 S CA 1.306 59.484 58.200 -0.036 0.000 1.141 202 S CB -1.151 62.024 63.200 -0.042 0.000 0.910 202 S HN 1.148 9.437 8.310 -0.035 0.000 0.471 203 G N -5.298 103.477 108.800 -0.042 0.000 2.155 203 G HA2 -0.397 3.525 3.960 -0.063 0.000 0.257 203 G HA3 -0.397 3.538 3.960 -0.042 0.000 0.257 203 G C -0.809 174.036 174.900 -0.091 0.000 0.983 203 G CA 0.362 45.426 45.100 -0.059 0.000 0.676 203 G HN 0.344 8.597 8.290 -0.035 0.016 0.528 210 Q N 1.201 121.023 119.800 0.037 0.000 2.378 210 Q HA 0.209 4.594 4.340 0.074 0.000 0.229 210 Q C -0.311 175.859 176.000 0.283 0.000 0.882 210 Q CA 0.145 55.995 55.803 0.080 0.000 0.936 210 Q CB 2.820 31.523 28.738 -0.057 0.000 1.092 210 Q HN 0.292 8.574 8.270 0.020 0.000 0.535 211 G N -2.664 106.313 108.800 0.296 0.000 2.694 211 G HA2 0.617 5.089 3.960 0.414 0.000 0.290 211 G HA3 0.617 4.859 3.960 0.470 0.000 0.290 211 G C -3.269 171.750 174.900 0.197 0.000 1.386 211 G CA -0.705 44.614 45.100 0.364 0.000 0.872 211 G HN -0.217 8.181 8.290 0.180 0.000 0.475 212 I N -1.237 119.438 120.570 0.176 0.000 2.498 212 I HA 0.516 4.977 4.170 0.144 -0.204 0.290 212 I C -0.436 175.794 176.117 0.189 0.000 1.032 212 I CA -1.334 60.051 61.300 0.141 0.000 1.073 212 I CB 4.275 42.315 38.000 0.066 0.000 1.251 212 I HN -0.415 7.964 8.210 0.154 -0.077 0.426 213 V N 7.750 127.787 119.914 0.205 0.000 2.540 213 V HA -0.190 3.970 4.120 0.066 0.000 0.297 213 V C -0.858 175.256 176.094 0.033 0.000 1.024 213 V CA 2.152 64.524 62.300 0.119 0.000 1.105 213 V CB -0.738 31.174 31.823 0.148 0.000 0.938 213 V HN 0.523 8.820 8.190 0.179 0.000 0.482 214 S N 7.714 123.357 115.700 -0.096 0.000 3.148 214 S HA 0.353 5.045 4.470 0.370 0.000 0.246 214 S C -1.426 173.303 174.600 0.216 0.000 1.041 214 S CA 0.385 58.684 58.200 0.165 0.000 0.813 214 S CB 2.733 66.012 63.200 0.132 0.000 0.813 214 S HN -0.021 8.041 8.310 -0.414 0.000 0.546 215 W N -1.724 119.435 121.300 -0.235 0.000 2.874 215 W HA 0.319 4.874 4.660 -0.175 0.000 0.403 215 W C -2.833 173.519 176.519 -0.280 0.000 1.144 215 W CA -1.401 55.806 57.345 -0.230 0.000 1.175 215 W CB 1.352 30.674 29.460 -0.230 0.000 1.483 215 W HN -0.099 7.778 8.180 -0.506 0.000 0.591 216 G N -1.692 107.091 108.800 -0.029 0.000 2.430 216 G HA2 0.144 3.790 3.960 -0.524 0.000 0.300 216 G HA3 0.144 4.021 3.960 -0.138 0.000 0.300 216 G C -1.984 173.000 174.900 0.140 0.000 1.330 216 G CA 0.081 45.083 45.100 -0.164 0.000 0.813 216 G HN -0.157 8.299 8.290 0.278 0.000 0.487 220 c N 2.487 121.118 118.600 0.052 0.000 3.359 220 c HA 0.394 5.158 4.570 0.044 -0.168 0.194 220 c C -1.096 173.021 174.090 0.045 0.000 1.659 220 c CA -1.271 55.084 56.329 0.043 0.000 1.338 220 c CB -1.624 40.902 42.510 0.027 0.000 2.109 220 c HN 0.362 8.621 8.230 0.049 0.000 0.518 221 Q N -1.884 117.944 119.800 0.047 0.000 3.012 221 Q HA 0.130 4.488 4.340 0.030 0.000 0.285 221 Q C -1.823 174.195 176.000 0.030 0.000 0.922 221 Q CA -0.231 55.593 55.803 0.035 0.000 0.813 221 Q CB 2.683 31.441 28.738 0.033 0.000 1.779 221 Q HN -0.310 7.992 8.270 0.053 0.000 0.500 222 K N 3.446 123.858 120.400 0.020 0.000 2.401 222 K HA -0.182 4.408 4.320 0.029 -0.253 0.278 222 K C -0.074 176.522 176.600 -0.007 0.000 1.018 222 K CA 0.396 56.692 56.287 0.015 0.000 0.981 222 K CB 0.286 32.793 32.500 0.011 0.000 0.933 222 K HN 0.068 8.329 8.250 0.018 0.000 0.477 223 N N 2.367 121.059 118.700 -0.013 0.000 2.863 223 N HA -0.446 4.266 4.740 -0.046 0.000 0.245 223 N C -1.598 173.844 175.510 -0.114 0.000 1.001 223 N CA 2.013 55.029 53.050 -0.058 0.000 0.901 223 N CB -0.458 37.986 38.487 -0.072 0.000 1.124 223 N HN 0.871 9.128 8.380 0.008 0.127 0.582 224 K N -0.838 119.527 120.400 -0.058 0.000 2.562 224 K HA 0.542 4.734 4.320 -0.213 0.000 0.206 224 K C -2.396 174.236 176.600 0.054 0.000 1.033 224 K CA -3.886 52.371 56.287 -0.050 0.000 1.029 224 K CB 0.223 32.734 32.500 0.018 0.000 1.393 224 K HN -0.624 7.547 8.250 -0.012 0.072 0.539 225 P HA -0.000 4.472 4.420 0.087 0.000 0.274 225 P C -0.838 176.487 177.300 0.042 0.000 1.256 225 P CA -0.590 62.559 63.100 0.082 0.000 0.795 225 P CB 1.407 33.150 31.700 0.072 0.000 1.038 226 G N -2.781 106.015 108.800 -0.008 0.000 2.507 226 G HA2 0.305 4.058 3.960 -0.345 0.000 0.271 226 G HA3 0.305 4.121 3.960 -0.329 -0.054 0.271 226 G C -1.599 172.940 174.900 -0.602 0.000 1.189 226 G CA -0.870 44.038 45.100 -0.321 0.000 0.859 226 G HN -0.430 7.923 8.290 0.106 -0.000 0.542 227 V N 0.695 119.954 119.914 -1.091 0.000 2.513 227 V HA 0.686 4.557 4.120 -0.716 -0.181 0.299 227 V C -0.860 174.470 176.094 -1.274 0.000 1.035 227 V CA -1.118 60.501 62.300 -1.134 0.000 0.889 227 V CB 2.077 32.816 31.823 -1.807 0.000 0.988 227 V HN 0.609 8.142 8.190 -1.095 0.000 0.440 228 Y N 4.926 124.827 120.300 -0.665 0.000 2.524 228 Y HA 0.627 5.106 4.550 -0.380 -0.157 0.344 228 Y C 0.387 175.995 175.900 -0.486 0.000 1.012 228 Y CA -2.309 55.395 58.100 -0.660 0.000 1.068 228 Y CB 3.706 41.462 38.460 -1.174 0.000 1.249 228 Y HN 1.011 8.899 8.280 -0.653 0.000 0.468 229 T N 4.794 119.304 114.554 -0.073 0.000 2.851 229 T HA 0.004 4.534 4.350 0.081 -0.131 0.298 229 T C -0.717 174.097 174.700 0.191 0.000 0.977 229 T CA 1.617 63.751 62.100 0.057 0.000 1.126 229 T CB 0.535 69.414 68.868 0.018 0.000 0.916 229 T HN 0.370 8.599 8.240 -0.020 0.000 0.529 230 K N 8.264 128.869 120.400 0.341 0.000 2.183 230 K HA 0.178 5.055 4.320 0.729 -0.120 0.272 230 K C 1.064 177.927 176.600 0.438 0.000 1.113 230 K CA -0.754 55.831 56.287 0.496 0.000 0.949 230 K CB -0.245 32.510 32.500 0.424 0.000 1.365 230 K HN 0.116 8.457 8.250 0.314 0.098 0.420 231 V N 6.041 126.186 119.914 0.386 0.000 2.469 231 V HA -0.527 3.878 4.120 0.474 0.000 0.251 231 V C 1.307 177.579 176.094 0.298 0.000 1.064 231 V CA 3.819 66.335 62.300 0.359 0.000 1.066 231 V CB -0.336 31.622 31.823 0.225 0.000 0.667 231 V HN 0.248 8.674 8.190 0.393 0.000 0.461 232 c N -3.960 114.750 118.600 0.184 0.000 2.409 232 c HA -0.210 4.414 4.570 0.089 0.000 0.288 232 c C 1.427 175.550 174.090 0.054 0.000 1.395 232 c CA 1.457 57.843 56.329 0.095 0.000 1.792 232 c CB -2.099 40.435 42.510 0.039 0.000 1.847 232 c HN 0.463 8.782 8.230 0.182 0.021 0.534 233 N N 0.683 119.389 118.700 0.009 0.000 2.467 233 N HA -0.043 4.607 4.740 -0.149 0.000 0.184 233 N C 0.194 175.462 175.510 -0.404 0.000 1.106 233 N CA 0.932 53.834 53.050 -0.245 0.000 0.892 233 N CB 0.020 38.226 38.487 -0.469 0.000 0.969 233 N HN -0.440 7.954 8.380 0.105 0.049 0.454 234 Y N -4.737 115.634 120.300 0.119 0.000 2.588 234 Y HA 0.180 4.875 4.550 0.243 0.000 0.247 234 Y C -0.024 176.014 175.900 0.231 0.000 1.157 234 Y CA -0.814 57.417 58.100 0.218 0.000 1.215 234 Y CB 0.126 38.747 38.460 0.267 0.000 1.245 234 Y HN -0.192 8.040 8.280 0.229 0.185 0.534 235 V N 1.000 121.058 119.914 0.239 0.000 2.332 235 V HA -0.567 3.644 4.120 0.151 0.000 0.248 235 V C 1.400 177.561 176.094 0.112 0.000 1.055 235 V CA 4.966 67.356 62.300 0.149 0.000 1.038 235 V CB -0.521 31.351 31.823 0.082 0.000 0.651 235 V HN -0.673 7.621 8.190 0.174 0.000 0.450 236 S N -0.327 115.441 115.700 0.114 0.000 2.383 236 S HA -0.299 4.190 4.470 0.031 0.000 0.227 236 S C 1.664 176.330 174.600 0.110 0.000 1.026 236 S CA 3.477 61.724 58.200 0.079 0.000 0.981 236 S CB -0.440 62.805 63.200 0.075 0.000 0.818 236 S HN 0.118 8.495 8.310 0.112 0.000 0.472 237 W N 3.260 124.595 121.300 0.057 0.000 2.381 237 W HA -0.212 4.463 4.660 0.026 0.000 0.301 237 W C 1.084 177.613 176.519 0.017 0.000 1.205 237 W CA 3.127 60.511 57.345 0.066 0.000 1.285 237 W CB 0.051 29.628 29.460 0.196 0.000 1.133 237 W HN -0.473 7.913 8.180 0.361 0.011 0.521 238 I N -0.194 120.354 120.570 -0.037 0.000 2.113 238 I HA -0.754 2.952 4.170 -0.775 0.000 0.238 238 I C 1.792 177.669 176.117 -0.400 0.000 1.070 238 I CA 4.584 65.669 61.300 -0.357 0.000 1.332 238 I CB -0.189 37.762 38.000 -0.082 0.000 1.044 238 I HN 0.313 8.602 8.210 0.261 0.077 0.402 239 K N -1.630 118.641 120.400 -0.215 0.000 2.103 239 K HA -0.487 3.688 4.320 -0.241 0.000 0.207 239 K C 2.840 179.296 176.600 -0.240 0.000 1.048 239 K CA 3.799 59.962 56.287 -0.207 0.000 0.930 239 K CB -0.321 32.116 32.500 -0.104 0.000 0.716 239 K HN 0.104 8.290 8.250 -0.107 0.000 0.444 240 Q N -1.589 118.078 119.800 -0.221 0.000 2.083 240 Q HA -0.233 4.018 4.340 -0.147 0.000 0.198 240 Q C 2.519 178.343 176.000 -0.293 0.000 0.969 240 Q CA 3.153 58.839 55.803 -0.195 0.000 0.838 240 Q CB 0.103 28.774 28.738 -0.110 0.000 0.900 240 Q HN -0.041 8.109 8.270 -0.185 0.010 0.436 241 T N 2.360 116.621 114.554 -0.487 0.000 2.737 241 T HA -0.293 3.836 4.350 -0.370 0.000 0.265 241 T C 2.416 176.759 174.700 -0.595 0.000 1.038 241 T CA 5.198 66.958 62.100 -0.566 0.000 1.144 241 T CB -0.182 68.103 68.868 -0.973 0.000 0.866 241 T HN -0.088 7.804 8.240 -0.581 0.000 0.434 242 I N -1.858 118.228 120.570 -0.807 0.000 2.286 242 I HA -0.304 2.900 4.170 -1.609 0.000 0.248 242 I C 1.344 177.218 176.117 -0.405 0.000 1.115 242 I CA 3.339 64.007 61.300 -1.054 0.000 1.392 242 I CB -0.720 36.518 38.000 -1.269 0.000 1.065 242 I HN 0.105 7.851 8.210 -0.774 0.000 0.418 243 A N -0.082 122.567 122.820 -0.284 0.000 2.067 243 A HA -0.114 4.164 4.320 -0.069 0.000 0.219 243 A C 0.748 178.295 177.584 -0.062 0.000 1.158 243 A CA 2.461 54.427 52.037 -0.119 0.000 0.661 243 A CB -0.248 18.690 19.000 -0.104 0.000 0.801 243 A HN -0.186 7.749 8.150 -0.338 0.012 0.452 244 S N -4.047 111.603 115.700 -0.082 0.000 2.575 244 S HA 0.202 4.670 4.470 -0.003 0.000 0.237 244 S C -0.877 173.741 174.600 0.030 0.000 0.975 244 S CA -0.270 57.916 58.200 -0.022 0.000 0.960 244 S CB 0.509 63.687 63.200 -0.036 0.000 0.822 244 S HN -0.550 7.524 8.310 -0.157 0.142 0.472 245 N N 0.000 118.756 118.700 0.093 0.000 1.763 245 N HA 0.000 4.827 4.740 0.145 0.000 0.220 245 N CA 0.000 53.182 53.050 0.220 0.000 0.885 245 N CB 0.000 38.677 38.487 0.317 0.000 1.341 245 N HN 0.000 8.363 8.380 0.078 0.064 0.667