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 3lgt_1_A DATA FIRST_RESID 39 DATA SEQUENCE STDETPASYN LAVRRAAPAV VNVYNRXXXX XXXXXXXIRT LGSGVIMDQR DATA SEQUENCE GYIITNKHVI NDADQIIVAL QDGRVFEALL VGSDSLTDLA VLKINATGGL DATA SEQUENCE PTIPINARRV PHIGDVVLAI GNPAXXGQTI TQGIISATGX XXXXXXXXXN DATA SEQUENCE FLQTDASINP GNSGGALVNS LGELMGINTL SXXXXXXXXX XXGIGFAIPF DATA SEQUENCE QLATKIMDKL IRDGR 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 39 S HA 0.000 4.465 4.470 -0.009 0.000 0.327 39 S C 0.000 174.595 174.600 -0.008 0.000 1.055 39 S CA 0.000 58.196 58.200 -0.008 0.000 1.107 39 S CB 0.000 63.196 63.200 -0.006 0.000 0.593 40 T N -1.019 113.531 114.554 -0.007 0.000 2.746 40 T HA -0.264 4.081 4.350 -0.007 0.000 0.267 40 T C 0.999 175.695 174.700 -0.008 0.000 1.039 40 T CA 1.562 63.658 62.100 -0.007 0.000 1.142 40 T CB 0.093 68.958 68.868 -0.005 0.000 0.866 40 T HN -0.298 7.938 8.240 -0.006 0.000 0.444 41 D N 2.617 123.013 120.400 -0.008 0.000 2.117 41 D HA -0.029 4.606 4.640 -0.008 0.000 0.198 41 D C 0.420 176.714 176.300 -0.010 0.000 0.982 41 D CA 1.040 55.035 54.000 -0.008 0.000 0.828 41 D CB -0.571 40.224 40.800 -0.007 0.000 0.967 41 D HN 0.092 8.458 8.370 -0.007 0.000 0.464 42 E N -0.349 119.844 120.200 -0.011 0.000 2.371 42 E HA -0.044 4.297 4.350 -0.014 0.000 0.257 42 E C -0.878 175.711 176.600 -0.018 0.000 1.134 42 E CA -0.390 56.002 56.400 -0.014 0.000 0.919 42 E CB 0.648 30.340 29.700 -0.014 0.000 1.025 42 E HN -0.112 8.242 8.360 -0.010 0.000 0.438 43 T N -0.647 113.894 114.554 -0.023 0.000 2.794 43 T HA 0.358 4.693 4.350 -0.025 0.000 0.280 43 T C -1.331 173.346 174.700 -0.037 0.000 0.987 43 T CA -2.997 59.086 62.100 -0.028 0.000 0.993 43 T CB 0.388 69.238 68.868 -0.031 0.000 0.939 43 T HN -0.083 8.143 8.240 -0.023 0.000 0.449 44 P HA -0.008 4.387 4.420 -0.043 0.000 0.268 44 P C -0.995 176.258 177.300 -0.078 0.000 1.205 44 P CA -0.082 62.989 63.100 -0.048 0.000 0.771 44 P CB 0.481 32.157 31.700 -0.039 0.000 0.858 45 A N 2.159 124.923 122.820 -0.093 0.000 2.488 45 A HA -0.024 4.194 4.320 -0.171 0.000 0.249 45 A C -0.344 177.109 177.584 -0.219 0.000 1.083 45 A CA 0.683 52.623 52.037 -0.161 0.000 0.768 45 A CB 0.004 18.917 19.000 -0.145 0.000 1.017 45 A HN 0.093 8.198 8.150 -0.075 0.000 0.496 46 S N 1.640 117.139 115.700 -0.336 0.000 2.565 46 S HA 0.113 4.409 4.470 -0.289 0.000 0.269 46 S C -0.848 173.464 174.600 -0.479 0.000 1.153 46 S CA -0.291 57.717 58.200 -0.320 0.000 0.835 46 S CB 0.867 63.990 63.200 -0.129 0.000 1.122 46 S HN 0.037 8.129 8.310 -0.365 0.000 0.462 47 Y N 1.336 121.634 120.300 -0.003 0.000 2.696 47 Y HA 0.197 4.744 4.550 -0.005 0.000 0.260 47 Y C 0.165 176.061 175.900 -0.006 0.000 1.165 47 Y CA -0.637 57.460 58.100 -0.005 0.000 1.189 47 Y CB 0.157 38.614 38.460 -0.005 0.000 1.180 47 Y HN 0.183 8.474 8.280 0.017 0.000 0.538 48 N N 1.717 120.461 118.700 0.074 0.000 2.205 48 N HA -0.362 4.415 4.740 0.061 0.000 0.186 48 N C 1.052 176.587 175.510 0.041 0.000 1.015 48 N CA 3.385 56.465 53.050 0.050 0.000 0.862 48 N CB 0.295 38.793 38.487 0.018 0.000 0.986 48 N HN -0.283 8.043 8.380 0.022 0.068 0.429 49 L N -0.600 120.644 121.223 0.035 0.000 2.013 49 L HA -0.312 4.039 4.340 0.017 0.000 0.212 49 L C 1.021 177.913 176.870 0.035 0.000 1.073 49 L CA 3.007 57.864 54.840 0.028 0.000 0.753 49 L CB -0.272 41.801 42.059 0.023 0.000 0.890 49 L HN -0.228 8.005 8.230 0.027 0.014 0.432 50 A N -3.102 119.754 122.820 0.060 0.000 1.969 50 A HA -0.262 4.073 4.320 0.025 0.000 0.218 50 A C 2.273 179.873 177.584 0.027 0.000 1.169 50 A CA 2.582 54.644 52.037 0.042 0.000 0.635 50 A CB -0.820 18.213 19.000 0.056 0.000 0.810 50 A HN -0.624 7.580 8.150 0.090 0.000 0.445 51 V N -1.382 118.555 119.914 0.039 0.000 2.358 51 V HA -0.600 3.532 4.120 0.019 0.000 0.246 51 V C 2.290 178.394 176.094 0.017 0.000 1.047 51 V CA 4.195 66.511 62.300 0.026 0.000 1.035 51 V CB -0.321 31.523 31.823 0.035 0.000 0.658 51 V HN -0.719 7.394 8.190 0.056 0.110 0.452 52 R N -0.932 119.578 120.500 0.017 0.000 2.092 52 R HA -0.273 4.074 4.340 0.012 0.000 0.231 52 R C 2.186 178.490 176.300 0.006 0.000 1.119 52 R CA 3.380 59.487 56.100 0.011 0.000 0.970 52 R CB -0.292 30.014 30.300 0.010 0.000 0.864 52 R HN -0.165 8.117 8.270 0.021 0.000 0.440 53 R N -4.088 116.415 120.500 0.004 0.000 2.153 53 R HA -0.118 4.221 4.340 -0.003 0.000 0.218 53 R C 0.454 176.748 176.300 -0.009 0.000 1.072 53 R CA 2.561 58.659 56.100 -0.003 0.000 0.990 53 R CB 0.331 30.627 30.300 -0.007 0.000 0.889 53 R HN -0.600 7.659 8.270 0.007 0.015 0.452 54 A N -3.391 119.424 122.820 -0.008 0.000 2.026 54 A HA 0.211 4.519 4.320 -0.020 0.000 0.201 54 A C 1.285 178.864 177.584 -0.009 0.000 1.318 54 A CA 0.915 52.943 52.037 -0.015 0.000 0.857 54 A CB 0.790 19.777 19.000 -0.022 0.000 0.939 54 A HN -0.617 7.531 8.150 -0.003 0.000 0.476 55 A N -0.077 122.742 122.820 -0.002 0.000 1.940 55 A HA -0.088 4.232 4.320 -0.001 0.000 0.219 55 A C -1.013 176.574 177.584 0.005 0.000 1.176 55 A CA 4.215 56.254 52.037 0.002 0.000 0.631 55 A CB -2.319 16.686 19.000 0.008 0.000 0.814 55 A HN 0.261 8.412 8.150 0.001 0.000 0.446 56 P HA -0.251 4.179 4.420 0.016 0.000 0.219 56 P C -0.124 177.182 177.300 0.009 0.000 1.146 56 P CA 2.070 65.176 63.100 0.011 0.000 0.808 56 P CB -0.317 31.390 31.700 0.010 0.000 0.779 57 A N -5.794 117.026 122.820 -0.000 0.000 2.178 57 A HA 0.161 4.599 4.320 -0.004 -0.120 0.211 57 A C -0.993 176.586 177.584 -0.008 0.000 1.157 57 A CA -0.459 51.575 52.037 -0.006 0.000 0.780 57 A CB 0.858 19.851 19.000 -0.013 0.000 0.828 57 A HN -0.596 7.523 8.150 -0.003 0.030 0.476 58 V N -0.276 119.634 119.914 -0.007 0.000 2.498 58 V HA 0.336 4.609 4.120 -0.017 -0.164 0.279 58 V C -0.336 175.754 176.094 -0.007 0.000 1.048 58 V CA 0.357 62.650 62.300 -0.012 0.000 0.967 58 V CB 0.637 32.452 31.823 -0.013 0.000 0.988 58 V HN -0.849 7.338 8.190 -0.004 0.000 0.473 59 V N -1.191 118.712 119.914 -0.019 0.000 3.126 59 V HA 0.539 4.661 4.120 0.004 0.000 0.314 59 V C -1.784 174.272 176.094 -0.064 0.000 1.138 59 V CA -3.942 58.349 62.300 -0.016 0.000 1.034 59 V CB 3.371 35.194 31.823 -0.001 0.000 1.075 59 V HN 0.203 8.376 8.190 -0.029 0.000 0.442 60 N N -0.647 117.998 118.700 -0.091 0.000 2.483 60 N HA 0.231 4.812 4.740 -0.266 0.000 0.269 60 N C -0.651 174.639 175.510 -0.366 0.000 1.209 60 N CA 0.070 52.952 53.050 -0.280 0.000 0.969 60 N CB 2.131 40.398 38.487 -0.367 0.000 1.173 60 N HN -0.310 8.049 8.380 -0.036 0.000 0.475 61 V N 0.464 120.048 119.914 -0.549 0.000 2.623 61 V HA 0.521 4.661 4.120 -0.267 -0.181 0.304 61 V C -1.668 174.129 176.094 -0.496 0.000 1.054 61 V CA -0.958 61.111 62.300 -0.384 0.000 0.882 61 V CB 2.624 34.334 31.823 -0.190 0.000 1.002 61 V HN -0.087 7.743 8.190 -0.600 0.000 0.424 62 Y N 4.304 124.611 120.300 0.012 0.000 2.633 62 Y HA 0.572 5.232 4.550 0.009 -0.104 0.339 62 Y C -1.157 174.749 175.900 0.009 0.000 1.045 62 Y CA -2.129 55.977 58.100 0.011 0.000 1.098 62 Y CB 4.210 42.678 38.460 0.012 0.000 1.296 62 Y HN 0.924 9.222 8.280 0.029 0.000 0.494 63 N N -0.300 118.518 118.700 0.197 0.000 2.319 63 N HA 0.862 5.887 4.740 0.095 -0.228 0.305 63 N C -1.302 174.261 175.510 0.088 0.000 1.103 63 N CA -1.682 51.433 53.050 0.109 0.000 0.815 63 N CB 3.707 42.238 38.487 0.073 0.000 1.288 63 N HN 0.105 8.616 8.380 0.219 0.000 0.493 77 R N 7.268 127.809 120.500 0.069 0.000 2.604 77 R HA 0.531 4.924 4.340 0.089 0.000 0.287 77 R C -1.940 174.501 176.300 0.235 0.000 0.970 77 R CA -1.169 54.997 56.100 0.109 0.000 0.946 77 R CB 2.300 32.648 30.300 0.080 0.000 1.127 77 R HN 0.041 8.357 8.270 0.077 0.000 0.473 78 T N 3.189 117.884 114.554 0.234 0.000 2.729 78 T HA 0.058 4.661 4.350 0.420 0.000 0.296 78 T C -0.085 174.663 174.700 0.080 0.000 0.928 78 T CA -0.694 61.559 62.100 0.254 0.000 1.045 78 T CB -0.115 68.883 68.868 0.217 0.000 0.902 78 T HN 0.203 8.545 8.240 0.170 0.000 0.500 79 L N 7.789 129.012 121.223 0.001 0.000 2.130 79 L HA 0.129 4.479 4.340 0.017 0.000 0.200 79 L C 0.166 177.007 176.870 -0.048 0.000 1.075 79 L CA 0.876 55.705 54.840 -0.019 0.000 0.768 79 L CB 0.453 42.490 42.059 -0.038 0.000 0.933 79 L HN 0.344 8.543 8.230 -0.051 0.000 0.451 80 G N -5.182 103.547 108.800 -0.118 0.000 2.441 80 G HA2 0.075 3.997 3.960 -0.063 0.000 0.225 80 G HA3 0.075 3.987 3.960 -0.080 0.000 0.225 80 G C -2.622 172.192 174.900 -0.143 0.000 1.200 80 G CA -0.017 45.024 45.100 -0.098 0.000 0.947 80 G HN -0.703 7.476 8.290 -0.186 0.000 0.484 81 S N 0.296 115.933 115.700 -0.105 0.000 2.766 81 S HA 1.001 5.537 4.470 -0.119 -0.138 0.307 81 S C -1.142 173.402 174.600 -0.094 0.000 1.121 81 S CA -1.381 56.761 58.200 -0.098 0.000 0.980 81 S CB 3.125 66.291 63.200 -0.057 0.000 1.159 81 S HN -0.303 7.956 8.310 -0.086 0.000 0.546 82 G N -2.279 106.477 108.800 -0.073 0.000 2.623 82 G HA2 0.698 4.849 3.960 -0.061 0.000 0.290 82 G HA3 0.698 4.620 3.960 -0.063 0.000 0.290 82 G C -3.136 171.739 174.900 -0.040 0.000 1.437 82 G CA 0.218 45.282 45.100 -0.060 0.000 0.798 82 G HN -0.272 7.979 8.290 -0.066 0.000 0.488 83 V N -0.244 119.652 119.914 -0.031 0.000 2.638 83 V HA 0.393 4.632 4.120 -0.022 -0.132 0.306 83 V C -1.239 174.846 176.094 -0.016 0.000 1.052 83 V CA -1.515 60.772 62.300 -0.022 0.000 0.885 83 V CB 3.992 35.805 31.823 -0.017 0.000 0.999 83 V HN 0.142 8.313 8.190 -0.031 0.000 0.424 84 I N 6.399 126.957 120.570 -0.018 0.000 2.416 84 I HA -0.000 4.286 4.170 -0.020 -0.128 0.288 84 I C 0.187 176.301 176.117 -0.005 0.000 1.051 84 I CA 0.865 62.154 61.300 -0.020 0.000 1.375 84 I CB 0.327 38.305 38.000 -0.037 0.000 1.407 84 I HN 0.386 8.584 8.210 -0.019 0.000 0.516 85 M N 5.342 124.953 119.600 0.017 0.000 2.615 85 M HA 0.143 4.632 4.480 0.015 0.000 0.262 85 M C -0.218 176.101 176.300 0.032 0.000 1.198 85 M CA -0.676 54.640 55.300 0.028 0.000 1.165 85 M CB 0.577 33.203 32.600 0.044 0.000 1.310 85 M HN 0.310 8.618 8.290 0.030 0.000 0.494 86 D N -4.824 115.602 120.400 0.044 0.000 2.599 86 D HA 0.160 4.815 4.640 0.026 0.000 0.252 86 D C 0.123 176.429 176.300 0.009 0.000 1.232 86 D CA -0.967 53.059 54.000 0.043 0.000 0.819 86 D CB 1.080 41.936 40.800 0.093 0.000 1.401 86 D HN -0.841 7.556 8.370 0.045 0.000 0.429 87 Q N -1.321 118.480 119.800 0.001 0.000 2.226 87 Q HA -0.194 4.120 4.340 -0.043 0.000 0.204 87 Q C 1.075 177.041 176.000 -0.056 0.000 0.975 87 Q CA 2.301 58.087 55.803 -0.028 0.000 0.866 87 Q CB -0.184 28.545 28.738 -0.015 0.000 0.915 87 Q HN 0.442 8.718 8.270 0.011 0.000 0.440 88 R N -3.521 116.961 120.500 -0.030 0.000 2.159 88 R HA -0.259 4.029 4.340 -0.085 0.000 0.237 88 R C 0.423 176.564 176.300 -0.264 0.000 1.131 88 R CA 0.823 56.867 56.100 -0.093 0.000 0.982 88 R CB 0.188 30.507 30.300 0.031 0.000 0.868 88 R HN -0.160 8.092 8.270 0.021 0.031 0.453 89 G N -4.714 103.945 108.800 -0.235 0.000 2.151 89 G HA2 -0.342 3.467 3.960 -0.251 0.000 0.156 89 G HA3 -0.342 3.592 3.960 -0.355 -0.186 0.156 89 G C -0.964 173.735 174.900 -0.334 0.000 1.017 89 G CA -0.323 44.594 45.100 -0.306 0.000 0.686 89 G HN -0.547 7.803 8.290 -0.130 -0.138 0.503 90 Y N -0.244 120.010 120.300 -0.076 0.000 2.320 90 Y HA 0.602 5.313 4.550 -0.060 -0.197 0.324 90 Y C -1.014 174.849 175.900 -0.061 0.000 1.190 90 Y CA -0.181 57.883 58.100 -0.060 0.000 1.215 90 Y CB 2.340 40.775 38.460 -0.042 0.000 1.221 90 Y HN -0.160 8.472 8.280 0.011 -0.345 0.486 91 I N -0.074 120.569 120.570 0.121 0.000 2.534 91 I HA 0.593 4.970 4.170 0.028 -0.190 0.288 91 I C -1.140 174.994 176.117 0.027 0.000 1.077 91 I CA -1.378 59.944 61.300 0.037 0.000 1.051 91 I CB 4.256 42.251 38.000 -0.009 0.000 1.234 91 I HN 0.494 8.799 8.210 0.159 0.000 0.425 92 I N 7.156 127.730 120.570 0.005 0.000 2.396 92 I HA 0.656 5.000 4.170 -0.013 -0.182 0.292 92 I C -0.773 175.323 176.117 -0.036 0.000 0.999 92 I CA -0.785 60.506 61.300 -0.015 0.000 1.310 92 I CB 1.604 39.594 38.000 -0.016 0.000 1.404 92 I HN 0.164 8.377 8.210 0.004 0.000 0.496 93 T N 5.544 120.066 114.554 -0.054 0.000 2.787 93 T HA 0.344 4.645 4.350 -0.083 0.000 0.297 93 T C -2.119 172.512 174.700 -0.115 0.000 1.221 93 T CA -2.834 59.214 62.100 -0.087 0.000 1.006 93 T CB 1.839 70.647 68.868 -0.100 0.000 1.328 93 T HN 0.614 8.824 8.240 -0.051 0.000 0.509 94 N N 1.179 119.768 118.700 -0.185 0.000 2.518 94 N HA 0.041 4.921 4.740 -0.141 -0.225 0.266 94 N C 0.921 176.268 175.510 -0.271 0.000 1.196 94 N CA 0.485 53.387 53.050 -0.246 0.000 0.947 94 N CB 0.568 38.800 38.487 -0.425 0.000 1.098 94 N HN 0.316 8.573 8.380 -0.205 0.000 0.450 95 K N 3.854 124.173 120.400 -0.136 0.000 2.097 95 K HA -0.323 3.954 4.320 -0.071 0.000 0.206 95 K C 1.754 178.312 176.600 -0.070 0.000 1.049 95 K CA 3.038 59.282 56.287 -0.071 0.000 0.933 95 K CB 0.147 32.645 32.500 -0.003 0.000 0.717 95 K HN 0.102 8.275 8.250 -0.075 0.032 0.442 96 H N -4.038 115.024 119.070 -0.013 0.000 2.491 96 H HA -0.085 4.468 4.556 -0.005 0.000 0.290 96 H C 1.763 177.087 175.328 -0.007 0.000 1.050 96 H CA 2.411 58.454 56.048 -0.008 0.000 1.309 96 H CB -0.345 29.412 29.762 -0.009 0.000 1.392 96 H HN -0.320 8.139 8.280 -0.048 -0.208 0.554 97 V N -0.465 119.165 119.914 -0.473 0.000 2.358 97 V HA -0.255 3.782 4.120 -0.138 0.000 0.246 97 V C 0.834 176.867 176.094 -0.102 0.000 1.047 97 V CA 2.949 65.097 62.300 -0.254 0.000 1.035 97 V CB 0.454 32.089 31.823 -0.313 0.000 0.658 97 V HN -0.670 6.939 8.190 -0.751 0.131 0.452 98 I N -8.563 111.949 120.570 -0.096 0.000 3.904 98 I HA 0.143 4.294 4.170 -0.031 0.000 0.333 98 I C 0.087 176.195 176.117 -0.015 0.000 1.361 98 I CA -1.475 59.799 61.300 -0.044 0.000 1.116 98 I CB -0.300 37.673 38.000 -0.045 0.000 1.028 98 I HN -0.752 7.382 8.210 -0.126 0.000 0.398 99 N N 2.368 121.065 118.700 -0.004 0.000 2.104 99 N HA -0.247 4.500 4.740 0.011 0.000 0.190 99 N C -0.048 175.472 175.510 0.017 0.000 1.024 99 N CA 2.459 55.518 53.050 0.016 0.000 0.853 99 N CB 0.089 38.600 38.487 0.039 0.000 1.008 99 N HN -0.530 7.780 8.380 -0.006 0.066 0.424 100 D N -0.403 120.009 120.400 0.020 0.000 2.502 100 D HA 0.126 4.777 4.640 0.018 0.000 0.301 100 D C -1.940 174.373 176.300 0.021 0.000 1.202 100 D CA -0.093 53.919 54.000 0.021 0.000 0.878 100 D CB -0.719 40.095 40.800 0.024 0.000 1.062 100 D HN 0.005 8.387 8.370 0.021 0.000 0.499 101 A N 1.289 124.120 122.820 0.019 0.000 2.273 101 A HA 0.278 4.791 4.320 0.027 -0.176 0.315 101 A C -0.556 177.042 177.584 0.022 0.000 1.256 101 A CA -1.341 50.709 52.037 0.023 0.000 0.851 101 A CB 1.601 20.614 19.000 0.021 0.000 1.172 101 A HN -0.200 7.960 8.150 0.016 0.000 0.508 102 D N 3.284 123.699 120.400 0.024 0.000 2.097 102 D HA -0.184 4.467 4.640 0.019 0.000 0.195 102 D C 0.260 176.574 176.300 0.023 0.000 0.989 102 D CA 2.304 56.317 54.000 0.021 0.000 0.827 102 D CB 0.768 41.580 40.800 0.020 0.000 0.966 102 D HN 0.175 8.730 8.370 0.026 -0.170 0.456 103 Q N -2.778 117.040 119.800 0.029 0.000 2.345 103 Q HA 0.260 4.618 4.340 0.030 0.000 0.275 103 Q C -2.418 173.610 176.000 0.047 0.000 1.063 103 Q CA -0.573 55.250 55.803 0.034 0.000 0.819 103 Q CB 3.579 32.336 28.738 0.031 0.000 1.356 103 Q HN -0.813 7.644 8.270 0.033 -0.167 0.418 104 I N 4.155 124.754 120.570 0.049 0.000 2.404 104 I HA 0.553 4.948 4.170 0.068 -0.184 0.293 104 I C -1.046 175.122 176.117 0.084 0.000 0.992 104 I CA -1.248 60.088 61.300 0.060 0.000 1.149 104 I CB 2.060 40.083 38.000 0.038 0.000 1.315 104 I HN 0.483 8.719 8.210 0.043 0.000 0.446 105 I N 6.578 127.225 120.570 0.129 0.000 2.569 105 I HA 0.543 4.935 4.170 0.145 -0.134 0.296 105 I C -1.444 174.795 176.117 0.202 0.000 1.028 105 I CA -1.479 59.926 61.300 0.174 0.000 1.082 105 I CB 3.950 42.068 38.000 0.198 0.000 1.264 105 I HN 0.052 8.350 8.210 0.146 0.000 0.429 106 V N 4.906 124.940 119.914 0.200 0.000 2.656 106 V HA 0.537 4.894 4.120 0.091 -0.182 0.307 106 V C -2.193 174.042 176.094 0.235 0.000 1.051 106 V CA -2.134 60.264 62.300 0.162 0.000 0.893 106 V CB 4.051 35.942 31.823 0.112 0.000 0.999 106 V HN 0.212 8.529 8.190 0.212 0.000 0.426 107 A N 6.264 129.204 122.820 0.199 0.000 2.340 107 A HA 0.702 5.300 4.320 0.209 -0.153 0.297 107 A C -1.176 176.496 177.584 0.148 0.000 1.195 107 A CA -1.838 50.330 52.037 0.218 0.000 0.769 107 A CB 2.346 21.554 19.000 0.346 0.000 1.163 107 A HN 0.016 8.236 8.150 0.118 0.000 0.472 108 L N 3.409 124.724 121.223 0.154 0.000 2.475 108 L HA 0.041 4.436 4.340 0.092 0.000 0.253 108 L C 1.886 178.806 176.870 0.083 0.000 1.198 108 L CA -0.024 54.885 54.840 0.115 0.000 0.814 108 L CB 0.818 42.965 42.059 0.147 0.000 1.134 108 L HN -0.037 8.304 8.230 0.186 0.000 0.478 109 Q N 0.367 120.204 119.800 0.061 0.000 2.297 109 Q HA -0.195 4.174 4.340 0.049 0.000 0.204 109 Q C 0.462 176.487 176.000 0.042 0.000 0.962 109 Q CA 2.346 58.177 55.803 0.047 0.000 0.879 109 Q CB -0.097 28.661 28.738 0.034 0.000 0.947 109 Q HN 0.882 9.185 8.270 0.056 0.000 0.462 110 D N -5.879 114.549 120.400 0.048 0.000 2.340 110 D HA -0.043 4.615 4.640 0.030 0.000 0.220 110 D C 0.489 176.808 176.300 0.031 0.000 1.039 110 D CA -0.348 53.675 54.000 0.038 0.000 0.866 110 D CB -0.485 40.341 40.800 0.043 0.000 0.913 110 D HN -0.518 7.853 8.370 0.058 0.035 0.523 111 G N -1.034 107.787 108.800 0.034 0.000 2.201 111 G HA2 -0.406 3.564 3.960 0.016 0.000 0.212 111 G HA3 -0.406 3.556 3.960 0.003 0.000 0.212 111 G C -0.187 174.706 174.900 -0.012 0.000 0.994 111 G CA -0.392 44.716 45.100 0.013 0.000 0.644 111 G HN -0.664 7.605 8.290 0.047 0.050 0.508 112 R N 0.944 121.443 120.500 -0.002 0.000 2.582 112 R HA 0.109 4.344 4.340 -0.174 0.000 0.271 112 R C -1.147 175.077 176.300 -0.127 0.000 1.078 112 R CA 0.215 56.249 56.100 -0.109 0.000 1.127 112 R CB 1.522 31.789 30.300 -0.055 0.000 1.038 112 R HN -0.318 8.256 8.270 0.041 -0.280 0.500 113 V N 1.883 121.576 119.914 -0.367 0.000 2.488 113 V HA 0.566 4.863 4.120 -0.003 -0.179 0.293 113 V C -0.369 175.499 176.094 -0.377 0.000 1.027 113 V CA -0.842 61.339 62.300 -0.199 0.000 0.862 113 V CB 1.701 33.464 31.823 -0.101 0.000 1.008 113 V HN 0.253 8.119 8.190 -0.540 0.000 0.428 114 F N 7.349 127.315 119.950 0.026 0.000 2.557 114 F HA 0.424 4.955 4.527 0.007 0.000 0.336 114 F C -0.997 174.815 175.800 0.020 0.000 1.058 114 F CA -1.755 56.252 58.000 0.013 0.000 0.988 114 F CB 3.393 42.393 39.000 -0.000 0.000 1.275 114 F HN 0.288 8.807 8.300 0.365 0.000 0.488 115 E N 0.067 120.392 120.200 0.209 0.000 2.231 115 E HA 0.422 4.973 4.350 0.120 -0.129 0.277 115 E C -1.505 175.161 176.600 0.109 0.000 0.999 115 E CA -1.476 55.000 56.400 0.127 0.000 0.827 115 E CB 2.389 32.136 29.700 0.078 0.000 1.101 115 E HN 0.183 8.668 8.360 0.208 0.000 0.393 116 A N 4.240 127.103 122.820 0.072 0.000 2.355 116 A HA 0.852 5.369 4.320 0.019 -0.185 0.324 116 A C -1.980 175.619 177.584 0.025 0.000 1.117 116 A CA -1.898 50.160 52.037 0.035 0.000 0.785 116 A CB 3.121 22.136 19.000 0.025 0.000 1.254 116 A HN 0.257 8.451 8.150 0.072 0.000 0.453 117 L N 0.039 121.270 121.223 0.012 0.000 2.334 117 L HA 0.380 4.731 4.340 0.020 0.000 0.276 117 L C -0.886 175.997 176.870 0.023 0.000 1.014 117 L CA -1.535 53.315 54.840 0.017 0.000 0.815 117 L CB 2.726 44.793 42.059 0.013 0.000 1.268 117 L HN -0.004 8.225 8.230 -0.000 0.000 0.428 118 L N 3.042 124.279 121.223 0.023 0.000 2.456 118 L HA -0.075 4.280 4.340 0.026 0.000 0.277 118 L C -0.044 176.848 176.870 0.036 0.000 1.124 118 L CA 0.604 55.459 54.840 0.025 0.000 0.880 118 L CB -0.559 41.509 42.059 0.015 0.000 1.192 118 L HN 0.293 8.535 8.230 0.021 0.000 0.463 119 V N 6.499 126.446 119.914 0.056 0.000 2.307 119 V HA -0.334 3.829 4.120 0.073 0.000 0.245 119 V C 0.091 176.204 176.094 0.031 0.000 1.045 119 V CA 2.238 64.578 62.300 0.067 0.000 1.024 119 V CB 0.435 32.324 31.823 0.111 0.000 0.651 119 V HN 0.586 8.814 8.190 0.064 0.000 0.449 120 G N -5.879 102.931 108.800 0.017 0.000 2.315 120 G HA2 0.034 3.998 3.960 0.005 0.000 0.294 120 G HA3 0.034 3.994 3.960 -0.001 0.000 0.294 120 G C -3.528 171.369 174.900 -0.005 0.000 1.300 120 G CA -0.210 44.892 45.100 0.003 0.000 0.843 120 G HN -0.897 7.404 8.290 0.018 0.000 0.527 121 S N -1.840 113.856 115.700 -0.007 0.000 2.570 121 S HA 0.365 4.920 4.470 -0.016 -0.095 0.270 121 S C -2.568 172.027 174.600 -0.008 0.000 1.149 121 S CA -1.050 57.144 58.200 -0.011 0.000 0.837 121 S CB 3.153 66.348 63.200 -0.009 0.000 1.124 121 S HN -0.031 8.275 8.310 -0.005 0.000 0.465 122 D N 0.738 121.134 120.400 -0.008 0.000 2.408 122 D HA 0.359 5.000 4.640 0.001 0.000 0.243 122 D C 0.272 176.578 176.300 0.009 0.000 1.075 122 D CA -1.347 52.653 54.000 -0.000 0.000 0.832 122 D CB 2.658 43.457 40.800 -0.002 0.000 1.162 122 D HN -0.340 8.023 8.370 -0.012 0.000 0.515 123 S N 6.305 122.014 115.700 0.015 0.000 2.382 123 S HA -0.264 4.220 4.470 0.024 0.000 0.228 123 S C 1.984 176.605 174.600 0.035 0.000 1.027 123 S CA 3.031 61.245 58.200 0.023 0.000 0.991 123 S CB 0.046 63.258 63.200 0.020 0.000 0.823 123 S HN 0.560 8.877 8.310 0.013 0.000 0.469 124 L N 1.828 123.075 121.223 0.040 0.000 2.083 124 L HA -0.184 4.194 4.340 0.063 0.000 0.209 124 L C 0.967 177.906 176.870 0.115 0.000 1.083 124 L CA 2.548 57.429 54.840 0.068 0.000 0.752 124 L CB 0.290 42.385 42.059 0.060 0.000 0.899 124 L HN -0.347 8.013 8.230 0.032 -0.111 0.433 125 T N -7.160 107.435 114.554 0.069 0.000 3.069 125 T HA 0.000 4.382 4.350 0.054 0.000 0.252 125 T C -0.308 174.362 174.700 -0.051 0.000 1.053 125 T CA -1.029 61.077 62.100 0.011 0.000 0.964 125 T CB 0.943 69.793 68.868 -0.030 0.000 1.005 125 T HN -0.570 7.908 8.240 0.043 -0.212 0.532 126 D N 1.112 121.514 120.400 0.003 0.000 2.708 126 D HA -0.333 4.329 4.640 0.037 0.000 0.236 126 D C -1.910 174.377 176.300 -0.021 0.000 1.146 126 D CA 1.268 55.281 54.000 0.020 0.000 0.662 126 D CB -1.080 39.761 40.800 0.068 0.000 1.059 126 D HN -0.500 7.714 8.370 0.023 0.170 0.428 127 L N -3.711 117.490 121.223 -0.036 0.000 2.322 127 L HA 0.663 5.088 4.340 -0.064 -0.123 0.269 127 L C -1.771 175.074 176.870 -0.043 0.000 1.012 127 L CA -1.343 53.466 54.840 -0.052 0.000 0.815 127 L CB 3.401 45.427 42.059 -0.055 0.000 1.295 127 L HN -0.770 7.441 8.230 -0.026 0.004 0.438 128 A N -0.581 122.210 122.820 -0.047 0.000 2.488 128 A HA 0.672 5.129 4.320 -0.027 -0.154 0.295 128 A C -2.398 175.171 177.584 -0.024 0.000 1.045 128 A CA -0.615 51.400 52.037 -0.036 0.000 0.703 128 A CB 3.548 22.520 19.000 -0.046 0.000 1.271 128 A HN 0.627 8.746 8.150 -0.053 0.000 0.400 129 V N 3.866 123.776 119.914 -0.007 0.000 2.435 129 V HA 0.772 5.104 4.120 0.021 -0.200 0.290 129 V C -1.010 175.118 176.094 0.057 0.000 1.030 129 V CA -1.538 60.776 62.300 0.023 0.000 0.881 129 V CB 1.570 33.396 31.823 0.005 0.000 0.983 129 V HN 0.008 8.194 8.190 -0.007 0.000 0.445 130 L N 5.866 127.133 121.223 0.072 0.000 2.303 130 L HA 0.749 5.268 4.340 0.054 -0.146 0.266 130 L C -1.460 175.452 176.870 0.071 0.000 1.011 130 L CA -1.867 53.007 54.840 0.056 0.000 0.818 130 L CB 3.288 45.354 42.059 0.013 0.000 1.326 130 L HN 0.920 9.080 8.230 0.069 0.112 0.435 131 K N 0.587 120.985 120.400 -0.003 0.000 2.427 131 K HA 0.812 5.187 4.320 -0.228 -0.192 0.252 131 K C -1.550 174.964 176.600 -0.144 0.000 0.931 131 K CA -1.718 54.485 56.287 -0.140 0.000 0.793 131 K CB 3.123 35.529 32.500 -0.155 0.000 1.211 131 K HN 0.077 8.327 8.250 -0.001 0.000 0.426 132 I N -0.082 120.351 120.570 -0.227 0.000 2.894 132 I HA 0.486 4.590 4.170 -0.110 0.000 0.302 132 I C -2.092 173.876 176.117 -0.248 0.000 1.188 132 I CA -1.775 59.404 61.300 -0.202 0.000 1.014 132 I CB 3.633 41.462 38.000 -0.286 0.000 1.242 132 I HN 0.244 8.272 8.210 -0.303 0.000 0.430 133 N N 2.562 121.180 118.700 -0.138 0.000 2.452 133 N HA -0.005 4.664 4.740 -0.120 0.000 0.266 133 N C -0.157 175.252 175.510 -0.167 0.000 1.175 133 N CA 0.177 53.169 53.050 -0.098 0.000 0.945 133 N CB -0.021 38.482 38.487 0.026 0.000 1.063 133 N HN 0.399 8.751 8.380 -0.045 0.000 0.472 134 A N 3.016 125.738 122.820 -0.163 0.000 2.396 134 A HA 0.090 4.264 4.320 -0.244 0.000 0.279 134 A C -0.122 177.449 177.584 -0.022 0.000 1.165 134 A CA 0.101 52.049 52.037 -0.149 0.000 0.824 134 A CB -0.066 18.857 19.000 -0.129 0.000 1.100 134 A HN 0.212 8.273 8.150 -0.149 0.000 0.516 135 T N 3.169 117.760 114.554 0.061 0.000 2.803 135 T HA -0.248 4.177 4.350 0.124 0.000 0.269 135 T C 0.002 174.734 174.700 0.053 0.000 1.052 135 T CA 1.754 63.924 62.100 0.117 0.000 1.136 135 T CB 0.331 69.313 68.868 0.191 0.000 0.864 135 T HN 0.440 8.719 8.240 0.065 0.000 0.467 136 G N -0.116 108.700 108.800 0.027 0.000 3.199 136 G HA2 -0.177 3.785 3.960 0.005 0.000 0.680 136 G HA3 -0.177 3.794 3.960 0.020 0.000 0.680 136 G C -1.040 173.873 174.900 0.023 0.000 1.197 136 G CA -0.303 44.807 45.100 0.017 0.000 1.143 136 G HN -0.407 7.850 8.290 0.012 0.040 0.492 137 G N 3.406 112.212 108.800 0.010 0.000 2.963 137 G HA2 -0.430 3.535 3.960 0.008 0.000 0.262 137 G HA3 -0.430 3.543 3.960 0.022 0.000 0.262 137 G C -1.811 173.099 174.900 0.015 0.000 1.043 137 G CA -0.312 44.797 45.100 0.014 0.000 1.223 137 G HN 0.303 8.593 8.290 0.001 0.000 0.574 138 L N 2.113 123.330 121.223 -0.010 0.000 2.317 138 L HA 0.445 4.779 4.340 -0.010 0.000 0.281 138 L C -1.987 174.874 176.870 -0.016 0.000 1.024 138 L CA -3.441 51.383 54.840 -0.027 0.000 0.810 138 L CB 2.119 44.127 42.059 -0.085 0.000 1.240 138 L HN -0.640 7.787 8.230 -0.018 -0.208 0.427 139 P HA 0.156 4.574 4.420 -0.003 0.000 0.282 139 P C -1.551 175.740 177.300 -0.014 0.000 1.262 139 P CA -0.639 62.459 63.100 -0.004 0.000 0.773 139 P CB 0.145 31.850 31.700 0.008 0.000 0.879 140 T N -0.576 113.969 114.554 -0.014 0.000 2.912 140 T HA 0.087 4.533 4.350 -0.018 -0.107 0.288 140 T C 0.107 174.797 174.700 -0.017 0.000 1.030 140 T CA -2.642 59.449 62.100 -0.016 0.000 1.020 140 T CB 2.506 71.367 68.868 -0.012 0.000 1.056 140 T HN -0.169 8.064 8.240 -0.012 0.000 0.480 141 I N 3.147 123.705 120.570 -0.019 0.000 2.587 141 I HA 0.097 4.249 4.170 -0.029 0.000 0.284 141 I C -1.957 174.135 176.117 -0.041 0.000 1.134 141 I CA -2.686 58.597 61.300 -0.029 0.000 1.410 141 I CB 0.933 38.916 38.000 -0.029 0.000 1.392 141 I HN 0.093 8.293 8.210 -0.016 0.000 0.545 142 P HA 0.010 4.399 4.420 -0.052 0.000 0.264 142 P C -1.917 175.319 177.300 -0.108 0.000 1.193 142 P CA 0.131 63.192 63.100 -0.065 0.000 0.763 142 P CB 0.301 31.963 31.700 -0.064 0.000 0.810 143 I N 2.841 123.348 120.570 -0.104 0.000 2.545 143 I HA 0.203 4.214 4.170 -0.265 0.000 0.292 143 I C -1.342 174.691 176.117 -0.141 0.000 1.040 143 I CA -0.625 60.579 61.300 -0.161 0.000 1.068 143 I CB 3.102 41.059 38.000 -0.073 0.000 1.251 143 I HN -0.037 8.128 8.210 -0.073 0.000 0.424 144 N N 6.143 124.702 118.700 -0.235 0.000 2.531 144 N HA 0.123 4.830 4.740 -0.054 0.000 0.268 144 N C -0.101 175.406 175.510 -0.005 0.000 1.023 144 N CA -1.049 51.932 53.050 -0.115 0.000 0.896 144 N CB 0.997 39.412 38.487 -0.119 0.000 1.233 144 N HN 0.153 8.281 8.380 -0.420 0.000 0.512 145 A N 5.315 128.205 122.820 0.116 0.000 2.119 145 A HA -0.101 4.501 4.320 0.470 0.000 0.217 145 A C 0.621 178.313 177.584 0.179 0.000 1.153 145 A CA 1.939 54.122 52.037 0.243 0.000 0.692 145 A CB -0.097 18.990 19.000 0.146 0.000 0.799 145 A HN 0.650 8.844 8.150 0.074 0.000 0.458 146 R N -3.906 116.655 120.500 0.102 0.000 2.240 146 R HA 0.006 4.388 4.340 0.069 0.000 0.203 146 R C 0.315 176.659 176.300 0.073 0.000 1.011 146 R CA -0.540 55.603 56.100 0.071 0.000 1.007 146 R CB 0.020 30.345 30.300 0.041 0.000 0.911 146 R HN -0.558 7.968 8.270 0.074 -0.212 0.468 147 R N 1.885 122.434 120.500 0.082 0.000 2.442 147 R HA -0.098 4.254 4.340 0.020 0.000 0.291 147 R C -0.585 175.764 176.300 0.082 0.000 1.069 147 R CA 0.174 56.301 56.100 0.046 0.000 1.022 147 R CB 0.116 30.401 30.300 -0.025 0.000 0.976 147 R HN -0.716 7.701 8.270 0.084 -0.097 0.443 148 V N 7.381 127.271 119.914 -0.041 0.000 2.328 148 V HA 0.201 4.291 4.120 -0.050 0.000 0.278 148 V C -1.858 174.009 176.094 -0.379 0.000 1.021 148 V CA -3.021 59.186 62.300 -0.155 0.000 0.838 148 V CB 1.073 32.783 31.823 -0.188 0.000 0.999 148 V HN 0.069 8.220 8.190 -0.066 0.000 0.447 149 P HA 0.030 4.378 4.420 -0.120 0.000 0.267 149 P C -1.488 175.676 177.300 -0.228 0.000 1.209 149 P CA -0.174 62.842 63.100 -0.141 0.000 0.763 149 P CB 0.415 32.133 31.700 0.029 0.000 0.816 150 H N 2.852 121.946 119.070 0.039 0.000 2.621 150 H HA 0.250 4.821 4.556 0.025 0.000 0.360 150 H C -0.122 175.215 175.328 0.015 0.000 1.163 150 H CA -2.084 53.979 56.048 0.025 0.000 1.194 150 H CB 3.496 33.270 29.762 0.020 0.000 1.649 150 H HN -0.317 8.200 8.280 -0.026 -0.252 0.532 151 I N 1.992 122.653 120.570 0.152 0.000 2.668 151 I HA -0.581 3.731 4.170 0.055 -0.110 0.285 151 I C 1.198 177.349 176.117 0.057 0.000 1.168 151 I CA 2.083 63.426 61.300 0.073 0.000 1.424 151 I CB -0.689 37.340 38.000 0.049 0.000 1.377 151 I HN 0.559 8.869 8.210 0.167 0.000 0.560 152 G N 7.190 116.010 108.800 0.033 0.000 2.201 152 G HA2 -0.359 3.607 3.960 0.009 0.000 0.212 152 G HA3 -0.359 3.616 3.960 0.024 0.000 0.212 152 G C -0.481 174.432 174.900 0.022 0.000 0.994 152 G CA -0.616 44.497 45.100 0.022 0.000 0.644 152 G HN 0.416 8.720 8.290 0.023 0.000 0.508 153 D N 2.343 122.764 120.400 0.035 0.000 2.493 153 D HA -0.078 4.582 4.640 0.033 0.000 0.240 153 D C 0.014 176.301 176.300 -0.023 0.000 1.142 153 D CA 1.483 55.497 54.000 0.022 0.000 0.872 153 D CB 0.523 41.341 40.800 0.029 0.000 1.173 153 D HN -0.499 7.840 8.370 0.050 0.061 0.467 154 V N 2.709 122.595 119.914 -0.046 0.000 2.655 154 V HA 0.003 4.214 4.120 -0.130 -0.170 0.300 154 V C -0.208 175.791 176.094 -0.158 0.000 1.044 154 V CA 0.968 63.188 62.300 -0.133 0.000 1.095 154 V CB 0.295 31.995 31.823 -0.206 0.000 0.952 154 V HN 0.210 8.387 8.190 -0.022 0.000 0.485 155 V N 0.451 120.259 119.914 -0.177 0.000 2.841 155 V HA 0.961 5.195 4.120 -0.139 -0.197 0.310 155 V C -1.554 174.443 176.094 -0.162 0.000 1.090 155 V CA -2.892 59.322 62.300 -0.144 0.000 0.930 155 V CB 3.677 35.450 31.823 -0.084 0.000 1.014 155 V HN 0.103 8.082 8.190 -0.181 0.102 0.425 156 L N 2.864 124.005 121.223 -0.136 0.000 2.296 156 L HA 0.783 5.262 4.340 -0.109 -0.205 0.286 156 L C -0.796 176.038 176.870 -0.060 0.000 1.023 156 L CA -2.081 52.698 54.840 -0.101 0.000 0.812 156 L CB 2.068 44.078 42.059 -0.082 0.000 1.223 156 L HN 0.739 8.897 8.230 -0.121 0.000 0.421 157 A N 4.377 127.170 122.820 -0.045 0.000 2.260 157 A HA 0.583 5.038 4.320 -0.027 -0.150 0.312 157 A C -1.068 176.505 177.584 -0.018 0.000 1.321 157 A CA -1.516 50.505 52.037 -0.027 0.000 0.928 157 A CB 1.057 20.044 19.000 -0.021 0.000 1.158 157 A HN 0.516 8.638 8.150 -0.047 0.000 0.542 158 I N 5.124 125.684 120.570 -0.016 0.000 2.330 158 I HA 0.361 4.527 4.170 -0.007 0.000 0.289 158 I C -0.942 175.169 176.117 -0.010 0.000 1.001 158 I CA -1.024 60.270 61.300 -0.011 0.000 1.193 158 I CB 1.101 39.094 38.000 -0.012 0.000 1.345 158 I HN 0.368 8.567 8.210 -0.018 0.000 0.461 159 G N 4.979 113.775 108.800 -0.006 0.000 2.574 159 G HA2 0.453 4.404 3.960 -0.015 0.000 0.299 159 G HA3 0.453 4.409 3.960 -0.006 0.000 0.299 159 G C -3.169 171.725 174.900 -0.009 0.000 1.298 159 G CA -1.280 43.814 45.100 -0.010 0.000 0.952 159 G HN 0.299 8.587 8.290 -0.003 0.000 0.477 160 N N -0.410 118.278 118.700 -0.020 0.000 2.790 160 N HA 0.488 5.227 4.740 -0.002 0.000 0.256 160 N C -2.254 173.240 175.510 -0.027 0.000 1.409 160 N CA -2.963 50.077 53.050 -0.017 0.000 0.799 160 N CB 2.652 41.127 38.487 -0.020 0.000 1.170 160 N HN -0.288 8.074 8.380 -0.031 0.000 0.507 161 P HA 0.301 4.717 4.420 -0.007 0.000 0.234 161 P C -2.190 175.138 177.300 0.048 0.000 1.799 161 P CA -1.081 62.025 63.100 0.011 0.000 1.118 161 P CB -1.372 30.337 31.700 0.016 0.000 1.827 166 Q N 1.250 121.064 119.800 0.024 0.000 2.278 166 Q HA 0.036 4.486 4.340 0.016 -0.100 0.257 166 Q C -0.631 175.378 176.000 0.016 0.000 0.928 166 Q CA -0.141 55.673 55.803 0.018 0.000 0.932 166 Q CB 1.566 30.314 28.738 0.017 0.000 1.221 166 Q HN 0.131 8.415 8.270 0.024 0.000 0.434 167 T N 8.607 123.168 114.554 0.012 0.000 2.797 167 T HA 0.286 4.645 4.350 0.014 0.000 0.279 167 T C -1.740 172.965 174.700 0.008 0.000 0.991 167 T CA -0.365 61.742 62.100 0.012 0.000 0.979 167 T CB 1.215 70.090 68.868 0.012 0.000 0.943 167 T HN 0.167 8.413 8.240 0.010 0.000 0.444 168 I N 6.081 126.657 120.570 0.010 0.000 2.498 168 I HA 0.768 5.148 4.170 0.001 -0.210 0.290 168 I C -0.405 175.714 176.117 0.004 0.000 1.032 168 I CA -1.304 60.000 61.300 0.006 0.000 1.073 168 I CB 3.151 41.158 38.000 0.011 0.000 1.251 168 I HN 0.392 8.609 8.210 0.013 0.000 0.426 169 T N 4.135 118.684 114.554 -0.007 0.000 2.924 169 T HA 0.385 4.733 4.350 -0.003 0.000 0.291 169 T C -1.923 172.756 174.700 -0.035 0.000 1.045 169 T CA -2.217 59.876 62.100 -0.012 0.000 1.015 169 T CB 2.566 71.428 68.868 -0.010 0.000 1.103 169 T HN 0.129 8.362 8.240 -0.012 0.000 0.496 170 Q N 3.712 123.487 119.800 -0.041 0.000 2.365 170 Q HA 0.738 5.168 4.340 -0.119 -0.162 0.269 170 Q C -1.237 174.716 176.000 -0.078 0.000 1.061 170 Q CA -1.219 54.532 55.803 -0.087 0.000 0.816 170 Q CB 3.598 32.281 28.738 -0.092 0.000 1.325 170 Q HN 0.121 8.375 8.270 -0.026 0.000 0.446 171 G N 2.885 111.621 108.800 -0.107 0.000 2.664 171 G HA2 0.712 4.634 3.960 -0.064 0.000 0.303 171 G HA3 0.712 4.765 3.960 -0.069 -0.134 0.303 171 G C -2.571 172.274 174.900 -0.091 0.000 1.243 171 G CA 0.320 45.372 45.100 -0.080 0.000 0.826 171 G HN 0.234 8.439 8.290 -0.142 0.000 0.498 172 I N -6.061 114.469 120.570 -0.067 0.000 3.264 172 I HA 0.979 5.295 4.170 -0.066 -0.186 0.315 172 I C -1.240 174.849 176.117 -0.047 0.000 1.154 172 I CA -2.831 58.436 61.300 -0.056 0.000 0.962 172 I CB 4.571 42.550 38.000 -0.035 0.000 1.265 172 I HN 0.462 8.934 8.210 -0.060 -0.298 0.463 173 I N 1.073 121.625 120.570 -0.029 0.000 2.363 173 I HA 0.096 4.395 4.170 -0.034 -0.149 0.292 173 I C 0.630 176.734 176.117 -0.022 0.000 1.075 173 I CA 0.328 61.615 61.300 -0.022 0.000 1.333 173 I CB -1.226 36.776 38.000 0.004 0.000 1.415 173 I HN -0.058 8.139 8.210 -0.021 0.000 0.502 174 S N 10.806 126.479 115.700 -0.045 0.000 2.357 174 S HA -0.169 4.282 4.470 -0.033 0.000 0.221 174 S C -0.641 173.943 174.600 -0.027 0.000 1.031 174 S CA 2.441 60.614 58.200 -0.044 0.000 0.982 174 S CB 0.476 63.629 63.200 -0.077 0.000 0.853 174 S HN 0.313 8.485 8.310 -0.064 0.100 0.458 175 A N -0.409 122.393 122.820 -0.030 0.000 2.408 175 A HA 0.314 4.638 4.320 0.006 0.000 0.295 175 A C -2.261 175.332 177.584 0.015 0.000 1.040 175 A CA -0.961 51.074 52.037 -0.004 0.000 0.707 175 A CB 2.159 21.156 19.000 -0.006 0.000 1.235 175 A HN -0.724 7.398 8.150 -0.047 0.000 0.418 176 T N 2.011 116.584 114.554 0.031 0.000 2.916 176 T HA -0.068 4.307 4.350 0.042 0.000 0.303 176 T C 0.651 175.381 174.700 0.051 0.000 1.025 176 T CA -1.114 61.010 62.100 0.041 0.000 1.142 176 T CB 0.501 69.394 68.868 0.043 0.000 0.947 176 T HN 0.018 8.278 8.240 0.032 0.000 0.544 189 F N -1.253 118.763 119.950 0.109 0.000 2.364 189 F HA 0.456 5.038 4.527 0.091 0.000 0.316 189 F C 0.141 176.030 175.800 0.148 0.000 1.133 189 F CA -2.623 55.464 58.000 0.145 0.000 1.051 189 F CB 1.338 40.477 39.000 0.232 0.000 1.342 189 F HN -0.118 8.052 8.300 -0.217 0.000 0.507 190 L N 0.643 122.072 121.223 0.343 0.000 2.305 190 L HA 0.323 4.938 4.340 0.120 -0.203 0.281 190 L C -1.254 175.651 176.870 0.058 0.000 1.085 190 L CA -0.628 54.305 54.840 0.155 0.000 0.813 190 L CB 1.585 43.707 42.059 0.104 0.000 1.157 190 L HN 0.181 8.621 8.230 0.349 0.000 0.436 191 Q N 5.794 125.552 119.800 -0.071 0.000 2.235 191 Q HA 0.828 5.054 4.340 -0.479 -0.173 0.256 191 Q C -0.519 175.374 176.000 -0.178 0.000 0.951 191 Q CA -1.265 54.369 55.803 -0.282 0.000 0.890 191 Q CB 3.197 31.747 28.738 -0.314 0.000 1.279 191 Q HN 0.409 8.658 8.270 -0.034 0.000 0.444 192 T N 0.799 115.226 114.554 -0.211 0.000 2.889 192 T HA 0.644 5.095 4.350 -0.102 -0.162 0.315 192 T C -1.367 173.259 174.700 -0.124 0.000 1.291 192 T CA -2.635 59.390 62.100 -0.125 0.000 1.028 192 T CB 1.488 70.305 68.868 -0.086 0.000 1.235 192 T HN 0.052 8.115 8.240 -0.294 0.000 0.491 193 D N 4.926 125.275 120.400 -0.085 0.000 2.339 193 D HA 0.214 4.810 4.640 -0.073 0.000 0.217 193 D C -0.255 176.015 176.300 -0.050 0.000 1.050 193 D CA -1.202 52.759 54.000 -0.066 0.000 0.856 193 D CB -0.157 40.614 40.800 -0.049 0.000 0.922 193 D HN 0.025 8.350 8.370 -0.074 0.000 0.518 194 A N 1.238 124.026 122.820 -0.054 0.000 2.511 194 A HA -0.089 4.208 4.320 -0.038 0.000 0.242 194 A C -0.296 177.270 177.584 -0.029 0.000 1.069 194 A CA 0.599 52.611 52.037 -0.043 0.000 0.763 194 A CB 0.650 19.620 19.000 -0.050 0.000 1.001 194 A HN -0.727 7.339 8.150 -0.062 0.046 0.498 195 S N 1.389 117.079 115.700 -0.017 0.000 2.544 195 S HA -0.125 4.344 4.470 -0.003 0.000 0.290 195 S C -1.130 173.471 174.600 0.002 0.000 1.276 195 S CA 0.539 58.737 58.200 -0.004 0.000 1.075 195 S CB 0.271 63.472 63.200 0.001 0.000 0.849 195 S HN 0.166 8.466 8.310 -0.017 0.000 0.494 196 I N 5.009 125.588 120.570 0.015 0.000 2.411 196 I HA 0.116 4.467 4.170 0.022 -0.167 0.284 196 I C -1.227 174.913 176.117 0.037 0.000 1.012 196 I CA -2.705 58.613 61.300 0.029 0.000 1.119 196 I CB 0.099 38.127 38.000 0.046 0.000 1.261 196 I HN 0.110 8.330 8.210 0.017 0.000 0.448 197 N N 7.611 126.330 118.700 0.032 0.000 2.509 197 N HA 0.421 5.181 4.740 0.033 0.000 0.280 197 N C -1.517 174.016 175.510 0.038 0.000 1.306 197 N CA -1.959 51.110 53.050 0.031 0.000 0.782 197 N CB -0.519 37.982 38.487 0.024 0.000 1.493 197 N HN -0.088 8.561 8.380 0.028 -0.253 0.498 198 P HA -0.272 4.194 4.420 0.077 0.000 0.219 198 P C 1.393 178.717 177.300 0.041 0.000 1.153 198 P CA 2.800 65.931 63.100 0.052 0.000 0.865 198 P CB -0.049 31.676 31.700 0.042 0.000 0.788 199 G N -4.634 104.183 108.800 0.028 0.000 2.448 199 G HA2 -0.248 3.721 3.960 0.015 0.000 0.219 199 G HA3 -0.248 3.723 3.960 0.017 0.000 0.219 199 G C -0.136 174.770 174.900 0.010 0.000 1.127 199 G CA 1.443 46.554 45.100 0.017 0.000 0.766 199 G HN 0.193 8.563 8.290 0.027 -0.064 0.552 200 N N -3.503 115.206 118.700 0.016 0.000 2.197 200 N HA 0.100 4.840 4.740 -0.001 0.000 0.228 200 N C -0.261 175.259 175.510 0.016 0.000 1.212 200 N CA -1.561 51.494 53.050 0.008 0.000 0.883 200 N CB 1.355 39.846 38.487 0.007 0.000 1.107 200 N HN -0.213 8.152 8.380 0.023 0.029 0.519 201 S N 0.841 116.562 115.700 0.036 0.000 2.498 201 S HA -0.218 4.290 4.470 0.062 0.000 0.281 201 S C -0.008 174.604 174.600 0.019 0.000 1.265 201 S CA 1.660 59.899 58.200 0.064 0.000 1.071 201 S CB -0.080 63.209 63.200 0.147 0.000 0.894 201 S HN -0.535 7.684 8.310 0.042 0.116 0.491 202 G N 6.536 115.336 108.800 0.000 0.000 2.213 202 G HA2 -0.375 3.554 3.960 -0.051 0.000 0.236 202 G HA3 -0.375 3.540 3.960 -0.074 0.000 0.236 202 G C -0.641 174.235 174.900 -0.039 0.000 0.991 202 G CA -0.133 44.939 45.100 -0.046 0.000 0.629 202 G HN 0.409 8.595 8.290 0.014 0.113 0.517 203 G N 0.356 109.142 108.800 -0.024 0.000 2.508 203 G HA2 0.368 4.310 3.960 -0.029 0.000 0.278 203 G HA3 0.368 4.491 3.960 -0.020 -0.175 0.278 203 G C -2.275 172.614 174.900 -0.018 0.000 1.389 203 G CA -1.414 43.672 45.100 -0.023 0.000 1.050 203 G HN -0.578 7.635 8.290 -0.015 0.067 0.522 204 A N -2.556 120.253 122.820 -0.017 0.000 2.306 204 A HA 0.629 5.064 4.320 -0.013 -0.124 0.330 204 A C -2.131 175.443 177.584 -0.018 0.000 1.146 204 A CA -1.694 50.332 52.037 -0.017 0.000 0.827 204 A CB 2.832 21.818 19.000 -0.023 0.000 1.178 204 A HN -0.263 7.877 8.150 -0.018 0.000 0.490 205 L N 2.178 123.392 121.223 -0.016 0.000 2.333 205 L HA 0.924 5.433 4.340 -0.028 -0.186 0.280 205 L C -1.719 175.129 176.870 -0.036 0.000 1.004 205 L CA -1.340 53.487 54.840 -0.022 0.000 0.820 205 L CB 3.621 45.675 42.059 -0.008 0.000 1.247 205 L HN 0.108 8.332 8.230 -0.009 0.000 0.416 206 V N 0.319 120.202 119.914 -0.052 0.000 3.078 206 V HA 0.923 5.147 4.120 -0.080 -0.152 0.311 206 V C -1.868 174.181 176.094 -0.075 0.000 1.138 206 V CA -3.656 58.602 62.300 -0.069 0.000 1.007 206 V CB 4.032 35.817 31.823 -0.064 0.000 1.045 206 V HN 0.543 8.701 8.190 -0.054 0.000 0.432 207 N N 0.706 119.361 118.700 -0.076 0.000 2.418 207 N HA 0.537 5.438 4.740 -0.081 -0.210 0.283 207 N C 1.988 177.471 175.510 -0.045 0.000 1.267 207 N CA -1.696 51.314 53.050 -0.067 0.000 0.975 207 N CB 0.914 39.369 38.487 -0.053 0.000 1.167 207 N HN -0.336 7.992 8.380 -0.085 0.000 0.581 208 S N -1.090 114.602 115.700 -0.013 0.000 2.442 208 S HA -0.225 4.314 4.470 0.114 0.000 0.236 208 S C 0.864 175.509 174.600 0.075 0.000 1.007 208 S CA 2.484 60.737 58.200 0.088 0.000 0.965 208 S CB -0.708 62.603 63.200 0.185 0.000 0.773 208 S HN 0.333 8.633 8.310 -0.015 0.000 0.504 209 L N -1.967 119.271 121.223 0.024 0.000 2.179 209 L HA -0.039 4.313 4.340 0.019 0.000 0.208 209 L C 1.166 178.031 176.870 -0.008 0.000 1.096 209 L CA 1.117 55.962 54.840 0.007 0.000 0.779 209 L CB 0.355 42.405 42.059 -0.014 0.000 0.922 209 L HN -0.471 7.926 8.230 0.007 -0.163 0.443 210 G N -5.438 103.347 108.800 -0.025 0.000 2.192 210 G HA2 -0.382 3.560 3.960 -0.030 0.000 0.193 210 G HA3 -0.382 3.562 3.960 -0.027 0.000 0.193 210 G C -0.860 173.996 174.900 -0.073 0.000 0.999 210 G CA -0.664 44.414 45.100 -0.036 0.000 0.659 210 G HN -0.098 8.323 8.290 -0.030 -0.149 0.503 211 E N 0.694 120.834 120.200 -0.101 0.000 2.344 211 E HA -0.191 4.181 4.350 -0.169 -0.124 0.270 211 E C -0.499 175.967 176.600 -0.224 0.000 1.021 211 E CA -0.164 56.132 56.400 -0.174 0.000 0.887 211 E CB 0.602 30.183 29.700 -0.198 0.000 0.997 211 E HN -0.554 7.997 8.360 -0.087 -0.242 0.429 212 L N 5.454 126.511 121.223 -0.277 0.000 2.513 212 L HA -0.229 4.136 4.340 -0.150 -0.115 0.272 212 L C -0.891 175.765 176.870 -0.356 0.000 1.187 212 L CA 1.429 56.121 54.840 -0.247 0.000 0.895 212 L CB 0.201 42.146 42.059 -0.191 0.000 1.147 212 L HN -0.053 8.011 8.230 -0.276 0.000 0.483 213 M N 4.376 123.911 119.600 -0.108 0.000 2.657 213 M HA 0.165 4.713 4.480 0.113 0.000 0.262 213 M C 0.014 176.450 176.300 0.228 0.000 1.213 213 M CA 0.080 55.424 55.300 0.072 0.000 1.182 213 M CB 1.790 34.412 32.600 0.036 0.000 1.303 213 M HN 0.800 8.938 8.290 -0.069 0.110 0.501 214 G N -4.647 104.220 108.800 0.111 0.000 2.608 214 G HA2 0.346 4.548 3.960 0.131 0.000 0.291 214 G HA3 0.346 4.328 3.960 0.075 0.023 0.291 214 G C -2.986 171.937 174.900 0.039 0.000 1.425 214 G CA 0.162 45.319 45.100 0.094 0.000 0.787 214 G HN -0.571 7.751 8.290 0.054 0.000 0.484 215 I N -0.671 119.905 120.570 0.009 0.000 2.330 215 I HA 0.497 4.813 4.170 -0.008 -0.151 0.289 215 I C -0.268 175.835 176.117 -0.023 0.000 1.001 215 I CA -3.339 57.952 61.300 -0.016 0.000 1.193 215 I CB 0.066 38.044 38.000 -0.036 0.000 1.345 215 I HN -0.221 8.046 8.210 -0.001 -0.058 0.461 216 N N 9.173 127.869 118.700 -0.006 0.000 2.412 216 N HA -0.064 4.812 4.740 0.022 -0.122 0.254 216 N C -0.359 175.163 175.510 0.020 0.000 1.232 216 N CA 1.106 54.164 53.050 0.013 0.000 0.880 216 N CB 0.372 38.869 38.487 0.016 0.000 1.076 216 N HN 0.212 8.588 8.380 -0.006 0.000 0.458 217 T N 1.400 115.983 114.554 0.047 0.000 2.883 217 T HA 0.395 4.799 4.350 0.092 0.000 0.301 217 T C -2.257 172.500 174.700 0.095 0.000 1.158 217 T CA -1.434 60.703 62.100 0.061 0.000 1.007 217 T CB 2.351 71.199 68.868 -0.033 0.000 1.186 217 T HN 0.363 8.645 8.240 0.071 0.000 0.499 218 L N 3.052 124.316 121.223 0.067 0.000 2.329 218 L HA 0.309 4.689 4.340 0.067 0.000 0.279 218 L C -0.348 176.500 176.870 -0.035 0.000 1.014 218 L CA -0.057 54.792 54.840 0.016 0.000 0.814 218 L CB 1.516 43.539 42.059 -0.060 0.000 1.257 218 L HN 0.307 8.586 8.230 0.082 0.000 0.424 232 I N 1.311 121.868 120.570 -0.021 0.000 2.377 232 I HA 0.327 4.427 4.170 -0.118 0.000 0.293 232 I C -0.137 175.910 176.117 -0.117 0.000 0.987 232 I CA -1.950 59.285 61.300 -0.108 0.000 1.185 232 I CB 1.114 39.007 38.000 -0.177 0.000 1.341 232 I HN -0.447 7.769 8.210 0.011 0.000 0.455 233 G N 2.233 110.926 108.800 -0.178 0.000 2.491 233 G HA2 0.640 4.649 3.960 0.080 0.000 0.327 233 G HA3 0.640 4.581 3.960 -0.032 0.000 0.327 233 G C -2.605 172.121 174.900 -0.291 0.000 1.189 233 G CA -1.017 44.035 45.100 -0.079 0.000 0.956 233 G HN 0.445 8.624 8.290 -0.185 0.000 0.491 234 F N -1.966 118.010 119.950 0.043 0.000 2.540 234 F HA 0.819 5.577 4.527 0.083 -0.181 0.317 234 F C -1.937 173.870 175.800 0.012 0.000 1.104 234 F CA -1.497 56.543 58.000 0.066 0.000 0.913 234 F CB 4.555 43.634 39.000 0.131 0.000 1.170 234 F HN -0.481 7.993 8.300 0.289 0.000 0.450 235 A N 0.779 123.697 122.820 0.165 0.000 2.435 235 A HA 0.831 5.342 4.320 0.015 -0.182 0.304 235 A C -2.300 175.282 177.584 -0.002 0.000 1.064 235 A CA -2.317 49.749 52.037 0.047 0.000 0.727 235 A CB 3.984 23.005 19.000 0.034 0.000 1.284 235 A HN 0.730 8.990 8.150 0.184 0.000 0.415 236 I N 0.746 121.244 120.570 -0.119 0.000 2.352 236 I HA 0.207 4.263 4.170 -0.191 0.000 0.290 236 I C -1.815 174.292 176.117 -0.016 0.000 1.036 236 I CA -3.123 58.077 61.300 -0.166 0.000 1.336 236 I CB 0.557 38.391 38.000 -0.278 0.000 1.407 236 I HN 0.018 8.158 8.210 -0.118 0.000 0.497 237 P HA 0.022 4.617 4.420 0.073 -0.131 0.264 237 P C 0.928 178.212 177.300 -0.027 0.000 1.183 237 P CA 0.076 63.186 63.100 0.016 0.000 0.763 237 P CB 0.133 31.814 31.700 -0.033 0.000 0.807 238 F N 4.150 124.092 119.950 -0.014 0.000 2.269 238 F HA -0.314 4.197 4.527 -0.027 0.000 0.301 238 F C 1.233 177.022 175.800 -0.018 0.000 1.082 238 F CA 3.173 61.160 58.000 -0.022 0.000 1.360 238 F CB -0.425 38.561 39.000 -0.024 0.000 1.041 238 F HN 0.045 8.519 8.300 0.291 0.000 0.512 239 Q N -0.168 119.096 119.800 -0.893 0.000 2.050 239 Q HA -0.334 3.699 4.340 -0.512 0.000 0.202 239 Q C 2.431 178.290 176.000 -0.235 0.000 0.980 239 Q CA 3.031 58.478 55.803 -0.594 0.000 0.840 239 Q CB -1.208 27.159 28.738 -0.618 0.000 0.898 239 Q HN 0.145 7.685 8.270 -1.182 0.021 0.424 240 L N -0.494 120.622 121.223 -0.178 0.000 2.056 240 L HA -0.263 4.033 4.340 -0.073 0.000 0.207 240 L C 1.255 178.093 176.870 -0.054 0.000 1.078 240 L CA 2.608 57.400 54.840 -0.080 0.000 0.749 240 L CB -0.732 41.309 42.059 -0.030 0.000 0.901 240 L HN -0.728 7.380 8.230 -0.204 0.000 0.433 241 A N -2.031 120.762 122.820 -0.045 0.000 1.902 241 A HA -0.364 3.935 4.320 -0.034 0.000 0.217 241 A C 2.011 179.584 177.584 -0.018 0.000 1.181 241 A CA 3.333 55.355 52.037 -0.024 0.000 0.623 241 A CB -0.963 18.038 19.000 0.002 0.000 0.818 241 A HN -0.118 8.001 8.150 -0.051 0.000 0.443 242 T N 0.822 115.374 114.554 -0.004 0.000 2.652 242 T HA -0.498 3.854 4.350 0.003 0.000 0.267 242 T C 2.025 176.705 174.700 -0.033 0.000 1.039 242 T CA 5.350 67.448 62.100 -0.003 0.000 1.153 242 T CB -0.149 68.733 68.868 0.024 0.000 0.863 242 T HN -0.298 7.943 8.240 0.002 0.000 0.428 243 K N 1.018 121.393 120.400 -0.042 0.000 2.026 243 K HA -0.295 3.999 4.320 -0.043 0.000 0.208 243 K C 2.557 179.130 176.600 -0.044 0.000 1.048 243 K CA 3.546 59.807 56.287 -0.043 0.000 0.929 243 K CB -0.154 32.320 32.500 -0.044 0.000 0.713 243 K HN -0.773 7.448 8.250 -0.048 0.000 0.439 244 I N -0.624 119.921 120.570 -0.040 0.000 2.286 244 I HA -0.538 3.611 4.170 -0.034 0.000 0.248 244 I C 1.595 177.679 176.117 -0.055 0.000 1.115 244 I CA 4.110 65.386 61.300 -0.039 0.000 1.392 244 I CB -0.039 37.942 38.000 -0.031 0.000 1.065 244 I HN -0.168 8.020 8.210 -0.038 0.000 0.418 245 M N 0.347 119.909 119.600 -0.064 0.000 2.067 245 M HA -0.554 3.870 4.480 -0.093 0.000 0.260 245 M C 1.570 177.788 176.300 -0.137 0.000 1.069 245 M CA 4.270 59.512 55.300 -0.097 0.000 1.117 245 M CB -0.145 32.399 32.600 -0.093 0.000 1.334 245 M HN -0.337 7.920 8.290 -0.055 0.000 0.407 246 D N -0.262 120.068 120.400 -0.117 0.000 2.106 246 D HA -0.379 4.162 4.640 -0.165 0.000 0.191 246 D C 2.517 178.755 176.300 -0.104 0.000 0.997 246 D CA 3.527 57.453 54.000 -0.122 0.000 0.834 246 D CB -0.685 40.067 40.800 -0.081 0.000 0.956 246 D HN -0.340 7.975 8.370 -0.092 0.000 0.448 247 K N -1.513 118.843 120.400 -0.073 0.000 2.280 247 K HA -0.239 4.051 4.320 -0.050 0.000 0.202 247 K C 2.622 179.188 176.600 -0.057 0.000 1.047 247 K CA 3.010 59.264 56.287 -0.055 0.000 0.942 247 K CB -0.144 32.333 32.500 -0.039 0.000 0.739 247 K HN -0.607 7.604 8.250 -0.066 0.000 0.457 248 L N -1.107 120.074 121.223 -0.071 0.000 2.270 248 L HA -0.076 4.491 4.340 -0.044 -0.254 0.210 248 L C 2.038 178.860 176.870 -0.080 0.000 1.104 248 L CA 1.938 56.740 54.840 -0.063 0.000 0.804 248 L CB 0.205 42.228 42.059 -0.059 0.000 0.937 248 L HN -0.581 7.466 8.230 -0.082 0.133 0.450 249 I N -2.407 118.078 120.570 -0.141 0.000 2.353 249 I HA -0.429 3.649 4.170 -0.154 0.000 0.248 249 I C 1.292 177.359 176.117 -0.083 0.000 1.119 249 I CA 2.909 64.102 61.300 -0.178 0.000 1.417 249 I CB -0.150 37.626 38.000 -0.374 0.000 1.078 249 I HN -0.409 7.602 8.210 -0.162 0.102 0.421 250 R N -1.290 119.168 120.500 -0.071 0.000 2.057 250 R HA -0.163 4.159 4.340 -0.030 0.000 0.224 250 R C 0.880 177.167 176.300 -0.022 0.000 1.136 250 R CA 2.359 58.436 56.100 -0.038 0.000 0.968 250 R CB 0.839 31.116 30.300 -0.038 0.000 0.863 250 R HN -0.579 7.643 8.270 -0.081 0.000 0.433 251 D N -4.576 115.809 120.400 -0.024 0.000 2.259 251 D HA 0.095 4.729 4.640 -0.010 0.000 0.216 251 D C 0.485 176.779 176.300 -0.010 0.000 0.961 251 D CA 0.239 54.231 54.000 -0.015 0.000 0.878 251 D CB 1.170 41.961 40.800 -0.015 0.000 1.009 251 D HN -0.570 7.781 8.370 -0.032 0.000 0.490 252 G N -1.042 107.749 108.800 -0.014 0.000 2.384 252 G HA2 -0.330 3.702 3.960 -0.005 0.000 0.204 252 G HA3 -0.330 3.628 3.960 -0.002 0.000 0.204 252 G C -1.456 173.437 174.900 -0.011 0.000 1.237 252 G CA -0.630 44.466 45.100 -0.007 0.000 1.060 252 G HN -0.881 7.299 8.290 -0.022 0.097 0.514 253 R N 0.000 120.496 120.500 -0.006 0.000 2.786 253 R HA 0.000 4.429 4.340 -0.009 -0.094 0.208 253 R CA 0.000 56.096 56.100 -0.006 0.000 0.921 253 R CB 0.000 30.299 30.300 -0.002 0.000 0.687 253 R HN 0.000 8.269 8.270 -0.002 0.000 0.535