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 2jul_1_A DATA FIRST_RESID 76 DATA SEQUENCE PEGLDQLQAQ TKFTKKELQS LYRGFKNECP TGLVDEDTFK LIYSQFFPQG DATA SEQUENCE DATTYAHFLF NAFDADGNGA IHFEDFVVGL SILLRGTVHE KLKWAFNLYD DATA SEQUENCE INKDGCITKE EMLAIMKSIY DMMGRHTYPI LREDAPLEHV ERFFQKMDRN DATA SEQUENCE QDGVVTIDEF LETCQKDENI MNSMQLFENV I 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 76 P HA 0.000 4.421 4.420 0.001 0.000 0.216 76 P C 0.000 177.293 177.300 -0.011 0.000 1.155 76 P CA 0.000 63.099 63.100 -0.002 0.000 0.800 76 P CB 0.000 31.708 31.700 0.013 0.000 0.726 77 E N -0.334 119.865 120.200 -0.001 0.000 2.445 77 E HA 0.049 4.531 4.350 -0.010 -0.138 0.189 77 E C 0.879 177.482 176.600 0.005 0.000 1.069 77 E CA 0.072 56.471 56.400 -0.002 0.000 0.871 77 E CB -0.241 29.462 29.700 0.005 0.000 0.991 77 E HN 0.169 8.533 8.360 0.005 0.000 0.481 78 G N 1.057 109.862 108.800 0.009 0.000 2.498 78 G HA2 -0.219 3.770 3.960 0.048 0.000 0.219 78 G HA3 -0.219 3.774 3.960 0.056 0.000 0.219 78 G C 0.749 175.664 174.900 0.026 0.000 1.119 78 G CA 1.337 46.459 45.100 0.036 0.000 0.766 78 G HN 0.432 8.627 8.290 0.005 0.098 0.552 79 L N 1.095 122.300 121.223 -0.032 0.000 2.004 79 L HA -0.225 4.092 4.340 -0.040 0.000 0.205 79 L C 1.254 178.130 176.870 0.009 0.000 1.089 79 L CA 2.869 57.680 54.840 -0.049 0.000 0.756 79 L CB -0.804 41.183 42.059 -0.121 0.000 0.900 79 L HN -0.778 7.375 8.230 -0.046 0.050 0.440 80 D N -2.537 117.863 120.400 0.001 0.000 2.172 80 D HA -0.510 4.144 4.640 0.023 0.000 0.196 80 D C 2.397 178.714 176.300 0.028 0.000 0.999 80 D CA 3.124 57.134 54.000 0.017 0.000 0.856 80 D CB -0.988 39.818 40.800 0.009 0.000 0.934 80 D HN 0.076 8.437 8.370 -0.015 0.000 0.453 81 Q N 0.260 120.077 119.800 0.028 0.000 2.020 81 Q HA -0.294 4.062 4.340 0.026 0.000 0.202 81 Q C 2.141 178.168 176.000 0.045 0.000 0.982 81 Q CA 2.852 58.675 55.803 0.033 0.000 0.838 81 Q CB -0.241 28.517 28.738 0.034 0.000 0.899 81 Q HN -0.467 7.802 8.270 0.022 0.013 0.423 82 L N -0.056 121.206 121.223 0.066 0.000 2.042 82 L HA -0.427 3.951 4.340 0.064 0.000 0.210 82 L C 1.828 178.746 176.870 0.080 0.000 1.076 82 L CA 2.756 57.645 54.840 0.082 0.000 0.749 82 L CB -0.286 41.855 42.059 0.137 0.000 0.893 82 L HN -0.534 7.737 8.230 0.068 0.000 0.432 83 Q N -0.288 119.565 119.800 0.088 0.000 2.096 83 Q HA -0.350 4.073 4.340 0.137 0.000 0.204 83 Q C 2.997 179.032 176.000 0.059 0.000 0.982 83 Q CA 2.955 58.815 55.803 0.096 0.000 0.850 83 Q CB -0.344 28.444 28.738 0.083 0.000 0.901 83 Q HN 0.047 8.363 8.270 0.082 0.003 0.422 84 A N 0.084 122.927 122.820 0.039 0.000 1.892 84 A HA -0.327 4.002 4.320 0.015 0.000 0.218 84 A C 1.718 179.305 177.584 0.006 0.000 1.188 84 A CA 2.805 54.853 52.037 0.019 0.000 0.631 84 A CB -0.645 18.364 19.000 0.015 0.000 0.822 84 A HN -0.287 7.808 8.150 0.041 0.081 0.447 85 Q N -3.233 116.573 119.800 0.011 0.000 1.965 85 Q HA -0.158 4.175 4.340 -0.012 0.000 0.200 85 Q C 1.680 177.666 176.000 -0.024 0.000 0.981 85 Q CA 1.548 57.349 55.803 -0.005 0.000 0.834 85 Q CB 0.655 29.396 28.738 0.004 0.000 0.900 85 Q HN -0.444 7.764 8.270 0.024 0.077 0.426 86 T N -2.460 112.091 114.554 -0.005 0.000 2.734 86 T HA -0.085 4.218 4.350 -0.080 0.000 0.314 86 T C 0.034 174.658 174.700 -0.127 0.000 1.057 86 T CA -0.768 61.309 62.100 -0.039 0.000 1.047 86 T CB 0.912 69.848 68.868 0.113 0.000 0.991 86 T HN -0.357 7.898 8.240 0.025 0.000 0.540 87 K N 3.435 123.613 120.400 -0.371 0.000 3.016 87 K HA 0.223 4.411 4.320 -0.221 0.000 0.226 87 K C -1.753 174.467 176.600 -0.634 0.000 1.245 87 K CA -0.920 55.111 56.287 -0.427 0.000 1.174 87 K CB -1.632 30.608 32.500 -0.434 0.000 1.572 87 K HN 0.336 8.277 8.250 -0.515 0.000 0.462 88 F N -1.409 118.544 119.950 0.005 0.000 2.706 88 F HA 0.208 4.741 4.527 0.011 0.000 0.328 88 F C -0.506 175.306 175.800 0.021 0.000 1.123 88 F CA -1.646 56.363 58.000 0.016 0.000 0.978 88 F CB 3.671 42.690 39.000 0.031 0.000 1.404 88 F HN -0.684 7.559 8.300 0.008 0.061 0.497 89 T N 1.618 116.335 114.554 0.272 0.000 2.928 89 T HA 0.277 4.694 4.350 0.112 0.000 0.284 89 T C 0.870 175.643 174.700 0.121 0.000 1.008 89 T CA -0.818 61.367 62.100 0.142 0.000 1.057 89 T CB 2.012 70.943 68.868 0.105 0.000 1.018 89 T HN 0.291 8.729 8.240 0.331 0.000 0.493 90 K N 4.687 125.137 120.400 0.083 0.000 2.228 90 K HA -0.506 3.860 4.320 0.077 0.000 0.205 90 K C 1.812 178.446 176.600 0.056 0.000 1.045 90 K CA 4.223 60.549 56.287 0.066 0.000 0.931 90 K CB -0.133 32.391 32.500 0.040 0.000 0.727 90 K HN 0.658 8.950 8.250 0.070 0.000 0.458 91 K N -0.964 119.467 120.400 0.052 0.000 1.991 91 K HA -0.166 4.171 4.320 0.029 0.000 0.207 91 K C 1.960 178.580 176.600 0.034 0.000 1.045 91 K CA 2.596 58.905 56.287 0.037 0.000 0.937 91 K CB -0.617 31.902 32.500 0.031 0.000 0.720 91 K HN -0.056 8.185 8.250 0.058 0.043 0.438 92 E N -0.771 119.448 120.200 0.032 0.000 2.204 92 E HA -0.246 4.081 4.350 -0.038 0.000 0.195 92 E C 2.091 178.682 176.600 -0.014 0.000 0.990 92 E CA 2.989 59.372 56.400 -0.029 0.000 0.821 92 E CB -0.492 29.157 29.700 -0.084 0.000 0.750 92 E HN -0.115 8.278 8.360 0.054 0.000 0.477 93 L N 0.092 121.359 121.223 0.073 0.000 2.027 93 L HA -0.205 4.242 4.340 0.178 0.000 0.206 93 L C 1.780 178.755 176.870 0.175 0.000 1.074 93 L CA 3.299 58.233 54.840 0.157 0.000 0.745 93 L CB -0.758 41.405 42.059 0.173 0.000 0.898 93 L HN 0.568 8.726 8.230 0.092 0.127 0.433 94 Q N -1.873 117.986 119.800 0.097 0.000 2.364 94 Q HA -0.304 4.073 4.340 0.061 0.000 0.207 94 Q C 2.804 178.854 176.000 0.083 0.000 0.970 94 Q CA 2.709 58.553 55.803 0.068 0.000 0.888 94 Q CB -0.595 28.154 28.738 0.018 0.000 0.951 94 Q HN -0.324 7.990 8.270 0.074 0.000 0.469 95 S N 1.292 117.030 115.700 0.065 0.000 2.348 95 S HA -0.198 4.289 4.470 0.028 0.000 0.219 95 S C 1.917 176.546 174.600 0.049 0.000 1.033 95 S CA 3.583 61.805 58.200 0.037 0.000 0.974 95 S CB -0.239 62.965 63.200 0.006 0.000 0.868 95 S HN -0.508 7.672 8.310 0.058 0.166 0.459 96 L N 1.151 122.435 121.223 0.102 0.000 2.191 96 L HA -0.389 4.040 4.340 0.149 0.000 0.212 96 L C 1.769 178.621 176.870 -0.030 0.000 1.103 96 L CA 2.979 57.942 54.840 0.206 0.000 0.769 96 L CB -0.217 42.079 42.059 0.395 0.000 0.908 96 L HN -0.146 8.138 8.230 0.091 0.000 0.438 97 Y N -0.348 119.782 120.300 -0.284 0.000 2.163 97 Y HA -0.495 2.566 4.550 -2.483 0.000 0.288 97 Y C 1.457 177.061 175.900 -0.493 0.000 1.136 97 Y CA 4.005 61.561 58.100 -0.907 0.000 1.147 97 Y CB 0.071 38.314 38.460 -0.361 0.000 0.987 97 Y HN -0.229 8.138 8.280 0.189 0.026 0.509 98 R N -0.380 120.103 120.500 -0.030 0.000 2.083 98 R HA -0.440 3.913 4.340 0.021 0.000 0.237 98 R C 2.388 178.600 176.300 -0.147 0.000 1.137 98 R CA 3.146 59.225 56.100 -0.036 0.000 0.951 98 R CB -0.594 29.714 30.300 0.012 0.000 0.851 98 R HN -0.466 7.846 8.270 0.070 0.000 0.434 99 G N -2.315 106.406 108.800 -0.132 0.000 2.469 99 G HA2 -0.387 3.509 3.960 -0.108 0.000 0.219 99 G HA3 -0.387 3.531 3.960 -0.070 0.000 0.219 99 G C 0.834 175.600 174.900 -0.224 0.000 1.150 99 G CA 2.059 47.083 45.100 -0.127 0.000 0.763 99 G HN -0.128 8.107 8.290 -0.093 0.000 0.561 100 F N 2.141 121.789 119.950 -0.504 0.000 2.293 100 F HA -0.246 3.971 4.527 -0.516 0.000 0.300 100 F C 1.192 176.693 175.800 -0.499 0.000 1.086 100 F CA 2.652 60.294 58.000 -0.596 0.000 1.375 100 F CB 0.377 38.834 39.000 -0.905 0.000 1.045 100 F HN -0.611 7.413 8.300 -0.331 0.078 0.516 101 K N -1.374 118.790 120.400 -0.393 0.000 2.243 101 K HA -0.297 3.822 4.320 -0.335 0.000 0.201 101 K C 0.864 177.314 176.600 -0.250 0.000 1.051 101 K CA 1.977 58.080 56.287 -0.305 0.000 0.970 101 K CB 0.045 32.440 32.500 -0.175 0.000 0.755 101 K HN -0.302 7.578 8.250 -0.377 0.144 0.465 102 N N -2.567 115.998 118.700 -0.224 0.000 2.333 102 N HA -0.102 4.560 4.740 -0.130 0.000 0.178 102 N C 1.751 177.144 175.510 -0.195 0.000 1.018 102 N CA 2.361 55.313 53.050 -0.164 0.000 0.882 102 N CB 0.767 39.183 38.487 -0.118 0.000 0.984 102 N HN 0.027 8.036 8.380 -0.233 0.232 0.434 103 E N -2.342 117.696 120.200 -0.271 0.000 2.447 103 E HA 0.005 4.243 4.350 -0.187 0.000 0.195 103 E C -0.430 175.962 176.600 -0.347 0.000 1.028 103 E CA 0.934 57.172 56.400 -0.269 0.000 0.876 103 E CB 1.209 30.741 29.700 -0.279 0.000 0.885 103 E HN 0.063 8.131 8.360 -0.316 0.103 0.500 104 C N -2.554 116.457 119.300 -0.482 0.000 3.173 104 C HA 0.314 4.582 4.460 -0.319 0.000 0.209 104 C C -2.599 172.125 174.990 -0.444 0.000 1.229 104 C CA -1.947 56.766 59.018 -0.509 0.000 1.109 104 C CB 1.290 28.538 27.740 -0.820 0.000 1.833 104 C HN -0.614 7.162 8.230 -0.500 0.154 0.626 105 P HA 0.017 4.380 4.420 -0.154 -0.035 0.288 105 P C -0.823 176.425 177.300 -0.086 0.000 1.448 105 P CA 0.655 63.664 63.100 -0.151 0.000 0.764 105 P CB -1.069 30.571 31.700 -0.100 0.000 1.472 106 T N -1.085 113.408 114.554 -0.102 0.000 2.983 106 T HA -0.016 4.328 4.350 -0.011 0.000 0.250 106 T C 1.123 175.853 174.700 0.050 0.000 1.037 106 T CA 1.404 63.491 62.100 -0.022 0.000 1.142 106 T CB 1.273 70.126 68.868 -0.026 0.000 0.876 106 T HN 0.151 8.095 8.240 -0.192 0.181 0.455 107 G N 0.804 109.666 108.800 0.104 0.000 3.246 107 G HA2 -0.162 3.984 3.960 0.309 0.000 0.196 107 G HA3 -0.162 3.916 3.960 0.196 0.000 0.196 107 G C -2.418 172.752 174.900 0.450 0.000 2.019 107 G CA -0.201 45.056 45.100 0.262 0.000 1.385 107 G HN -0.388 7.915 8.290 0.020 0.000 0.484 108 L N -2.296 119.119 121.223 0.321 0.000 2.313 108 L HA 0.411 5.124 4.340 0.621 0.000 0.268 108 L C -1.172 175.886 176.870 0.314 0.000 1.010 108 L CA -1.427 53.646 54.840 0.388 0.000 0.814 108 L CB 1.967 44.155 42.059 0.216 0.000 1.304 108 L HN -0.754 7.598 8.230 0.203 0.000 0.441 109 V N -0.497 119.623 119.914 0.344 0.000 2.769 109 V HA 0.300 4.536 4.120 0.192 0.000 0.312 109 V C -1.852 174.360 176.094 0.198 0.000 1.058 109 V CA -2.344 60.112 62.300 0.260 0.000 0.952 109 V CB 2.904 34.941 31.823 0.356 0.000 1.019 109 V HN 0.268 8.687 8.190 0.382 0.000 0.445 110 D N 3.227 123.735 120.400 0.179 0.000 2.570 110 D HA 0.545 5.436 4.640 0.160 -0.156 0.244 110 D C 0.241 176.631 176.300 0.150 0.000 1.178 110 D CA -1.618 52.468 54.000 0.143 0.000 0.881 110 D CB 3.581 44.435 40.800 0.089 0.000 1.453 110 D HN -0.387 8.101 8.370 0.197 0.000 0.447 111 E N 0.461 120.676 120.200 0.025 0.000 2.108 111 E HA -0.549 3.860 4.350 0.099 0.000 0.203 111 E C 1.163 177.845 176.600 0.137 0.000 1.022 111 E CA 3.612 59.983 56.400 -0.048 0.000 0.823 111 E CB -0.348 29.134 29.700 -0.363 0.000 0.744 111 E HN 0.448 8.775 8.360 -0.055 0.000 0.456 112 D N -5.146 115.300 120.400 0.076 0.000 2.116 112 D HA -0.271 4.419 4.640 0.083 0.000 0.193 112 D C 2.284 178.680 176.300 0.160 0.000 0.998 112 D CA 3.639 57.696 54.000 0.095 0.000 0.836 112 D CB -0.335 40.497 40.800 0.053 0.000 0.951 112 D HN 0.382 8.768 8.370 0.024 -0.001 0.449 113 T N 1.709 116.371 114.554 0.179 0.000 2.684 113 T HA -0.350 4.079 4.350 0.132 0.000 0.267 113 T C 1.626 176.512 174.700 0.311 0.000 1.036 113 T CA 4.222 66.441 62.100 0.198 0.000 1.148 113 T CB -0.393 68.586 68.868 0.185 0.000 0.863 113 T HN -0.768 7.673 8.240 0.154 -0.108 0.436 114 F N 0.617 120.664 119.950 0.161 0.000 2.147 114 F HA -0.457 4.168 4.527 0.164 0.000 0.301 114 F C 1.739 177.664 175.800 0.210 0.000 1.084 114 F CA 3.150 61.271 58.000 0.202 0.000 1.268 114 F CB -0.882 38.307 39.000 0.315 0.000 1.009 114 F HN 0.276 8.918 8.300 0.570 0.000 0.486 115 K N -0.619 119.990 120.400 0.349 0.000 2.057 115 K HA -0.341 4.140 4.320 0.269 0.000 0.206 115 K C 2.113 178.839 176.600 0.210 0.000 1.050 115 K CA 3.458 59.895 56.287 0.250 0.000 0.935 115 K CB -0.281 32.329 32.500 0.183 0.000 0.715 115 K HN -0.519 7.833 8.250 0.356 0.112 0.439 116 L N -0.742 120.581 121.223 0.166 0.000 2.131 116 L HA -0.318 4.087 4.340 0.109 0.000 0.210 116 L C 2.134 179.072 176.870 0.112 0.000 1.092 116 L CA 2.967 57.877 54.840 0.117 0.000 0.759 116 L CB -0.218 41.888 42.059 0.079 0.000 0.903 116 L HN -0.703 7.541 8.230 0.174 0.091 0.435 117 I N 0.106 120.746 120.570 0.115 0.000 2.133 117 I HA -0.503 3.686 4.170 0.032 0.000 0.238 117 I C 1.703 177.907 176.117 0.144 0.000 1.074 117 I CA 3.838 65.180 61.300 0.069 0.000 1.342 117 I CB -0.097 37.891 38.000 -0.020 0.000 1.053 117 I HN 0.068 8.244 8.210 0.140 0.118 0.404 118 Y N -0.845 119.515 120.300 0.100 0.000 2.333 118 Y HA -0.504 4.211 4.550 0.274 0.000 0.290 118 Y C 2.117 178.161 175.900 0.240 0.000 1.144 118 Y CA 3.560 61.783 58.100 0.205 0.000 1.228 118 Y CB -0.056 38.514 38.460 0.183 0.000 0.985 118 Y HN -0.477 7.991 8.280 0.313 0.000 0.542 119 S N -1.487 114.390 115.700 0.294 0.000 2.368 119 S HA -0.400 4.350 4.470 0.251 -0.130 0.224 119 S C 1.835 176.504 174.600 0.114 0.000 1.029 119 S CA 2.602 60.924 58.200 0.203 0.000 0.988 119 S CB -0.279 63.009 63.200 0.145 0.000 0.838 119 S HN -0.178 8.173 8.310 0.273 0.122 0.462 120 Q N 0.053 119.913 119.800 0.099 0.000 2.084 120 Q HA -0.266 4.087 4.340 0.022 0.000 0.202 120 Q C 1.898 177.934 176.000 0.061 0.000 0.978 120 Q CA 2.583 58.419 55.803 0.055 0.000 0.844 120 Q CB 0.283 29.050 28.738 0.049 0.000 0.898 120 Q HN -0.575 7.675 8.270 0.115 0.089 0.426 121 F N -2.517 117.405 119.950 -0.047 0.000 2.780 121 F HA -0.080 4.410 4.527 -0.062 0.000 0.299 121 F C -0.822 174.989 175.800 0.018 0.000 1.146 121 F CA 0.679 58.638 58.000 -0.068 0.000 1.428 121 F CB 1.563 40.463 39.000 -0.166 0.000 1.115 121 F HN -0.708 7.712 8.300 0.201 0.000 0.583 122 F N -1.248 118.495 119.950 -0.344 0.000 2.753 122 F HA 0.394 4.617 4.527 -0.507 0.000 0.379 122 F C -2.161 173.568 175.800 -0.120 0.000 1.419 122 F CA -3.145 54.640 58.000 -0.359 0.000 1.113 122 F CB -0.141 38.698 39.000 -0.269 0.000 2.071 122 F HN -0.619 7.520 8.300 0.061 0.198 0.563 123 P HA -0.099 4.376 4.420 0.005 -0.051 0.211 123 P C -0.813 176.420 177.300 -0.112 0.000 1.179 123 P CA 0.519 63.565 63.100 -0.091 0.000 0.910 123 P CB 0.482 32.108 31.700 -0.122 0.000 0.785 124 Q N -1.010 118.631 119.800 -0.265 0.000 2.395 124 Q HA -0.088 4.182 4.340 -0.118 0.000 0.271 124 Q C -0.011 175.911 176.000 -0.130 0.000 1.026 124 Q CA 0.030 55.702 55.803 -0.217 0.000 0.900 124 Q CB 0.417 28.973 28.738 -0.303 0.000 1.266 124 Q HN -0.248 7.804 8.270 -0.363 0.000 0.430 125 G N 3.931 112.734 108.800 0.004 0.000 2.610 125 G HA2 -0.248 3.769 3.960 0.095 0.000 0.304 125 G HA3 -0.248 3.890 3.960 0.296 0.000 0.304 125 G C -1.515 173.479 174.900 0.157 0.000 1.309 125 G CA -0.714 44.471 45.100 0.141 0.000 0.906 125 G HN -0.057 8.222 8.290 -0.019 0.000 0.521 126 D N 1.620 122.115 120.400 0.159 0.000 2.458 126 D HA -0.129 4.567 4.640 0.094 0.000 0.252 126 D C 0.739 177.122 176.300 0.139 0.000 1.221 126 D CA 0.418 54.485 54.000 0.112 0.000 0.985 126 D CB 1.712 42.550 40.800 0.064 0.000 1.050 126 D HN 0.123 8.591 8.370 0.163 0.000 0.411 127 A N -2.068 120.806 122.820 0.090 0.000 3.413 127 A HA -0.293 4.021 4.320 -0.010 0.000 0.268 127 A C 1.353 178.971 177.584 0.055 0.000 1.128 127 A CA 1.406 53.487 52.037 0.074 0.000 1.062 127 A CB -1.806 17.347 19.000 0.254 0.000 1.121 127 A HN 0.306 8.486 8.150 0.050 0.000 0.895 128 T N -1.195 113.390 114.554 0.051 0.000 2.770 128 T HA -0.317 4.072 4.350 0.064 0.000 0.263 128 T C 1.727 176.414 174.700 -0.022 0.000 1.039 128 T CA 4.153 66.273 62.100 0.033 0.000 1.142 128 T CB -0.243 68.641 68.868 0.027 0.000 0.868 128 T HN -0.088 8.413 8.240 0.056 -0.228 0.435 129 T N 4.163 118.669 114.554 -0.079 0.000 2.737 129 T HA -0.225 4.011 4.350 -0.189 0.000 0.265 129 T C 1.202 175.640 174.700 -0.436 0.000 1.038 129 T CA 4.412 66.369 62.100 -0.238 0.000 1.144 129 T CB -0.387 68.330 68.868 -0.253 0.000 0.866 129 T HN -0.349 8.137 8.240 -0.050 -0.276 0.434 130 Y N 1.325 121.379 120.300 -0.410 0.000 2.352 130 Y HA -0.352 3.885 4.550 -0.521 0.000 0.292 130 Y C 0.817 176.573 175.900 -0.239 0.000 1.136 130 Y CA 3.250 61.124 58.100 -0.377 0.000 1.227 130 Y CB -0.412 37.879 38.460 -0.281 0.000 0.991 130 Y HN -0.149 8.098 8.280 -0.055 0.000 0.545 131 A N -0.566 122.190 122.820 -0.105 0.000 1.902 131 A HA -0.467 3.733 4.320 -0.200 0.000 0.217 131 A C 1.110 178.789 177.584 0.158 0.000 1.181 131 A CA 3.328 55.339 52.037 -0.042 0.000 0.623 131 A CB -1.217 17.820 19.000 0.061 0.000 0.818 131 A HN -0.207 7.687 8.150 -0.065 0.217 0.443 132 H N 0.299 119.399 119.070 0.050 0.000 2.321 132 H HA -0.294 4.540 4.556 0.196 -0.160 0.300 132 H C 2.161 177.685 175.328 0.326 0.000 1.087 132 H CA 2.764 58.917 56.048 0.174 0.000 1.319 132 H CB 0.439 30.277 29.762 0.128 0.000 1.379 132 H HN -0.711 7.647 8.280 0.130 0.000 0.501 133 F N -2.041 117.826 119.950 -0.138 0.000 2.161 133 F HA -0.292 4.048 4.527 -0.311 0.000 0.300 133 F C 2.246 177.913 175.800 -0.221 0.000 1.089 133 F CA 1.634 59.467 58.000 -0.279 0.000 1.282 133 F CB -1.236 37.521 39.000 -0.404 0.000 1.010 133 F HN -0.609 7.785 8.300 0.158 0.000 0.485 134 L N -1.373 119.878 121.223 0.048 0.000 2.012 134 L HA -0.507 3.823 4.340 -0.017 0.000 0.210 134 L C 1.705 178.800 176.870 0.374 0.000 1.073 134 L CA 3.041 57.959 54.840 0.131 0.000 0.748 134 L CB -0.279 41.883 42.059 0.171 0.000 0.891 134 L HN -0.200 7.929 8.230 -0.003 0.099 0.431 135 F N -0.745 119.412 119.950 0.344 0.000 2.065 135 F HA -0.565 4.270 4.527 0.514 0.000 0.298 135 F C 2.164 178.021 175.800 0.096 0.000 1.112 135 F CA 3.625 61.799 58.000 0.290 0.000 1.212 135 F CB -0.114 38.947 39.000 0.102 0.000 0.975 135 F HN -0.446 8.108 8.300 0.547 0.074 0.476 136 N N -0.610 118.260 118.700 0.282 0.000 2.132 136 N HA -0.452 4.412 4.740 0.206 0.000 0.191 136 N C 0.634 176.067 175.510 -0.127 0.000 1.015 136 N CA 2.688 55.776 53.050 0.063 0.000 0.864 136 N CB -0.322 38.090 38.487 -0.124 0.000 1.006 136 N HN -0.477 8.040 8.380 0.229 0.000 0.430 137 A N -1.827 120.862 122.820 -0.219 0.000 1.908 137 A HA -0.183 3.765 4.320 -0.619 0.000 0.218 137 A C 0.579 177.880 177.584 -0.470 0.000 1.181 137 A CA 1.959 53.657 52.037 -0.565 0.000 0.627 137 A CB -0.006 18.443 19.000 -0.919 0.000 0.818 137 A HN -0.612 7.347 8.150 -0.125 0.116 0.445 138 F N -1.780 118.056 119.950 -0.189 0.000 2.123 138 F HA -0.213 4.366 4.527 0.087 0.000 0.257 138 F C -0.389 175.262 175.800 -0.248 0.000 0.967 138 F CA 1.505 59.453 58.000 -0.087 0.000 1.152 138 F CB 1.307 40.317 39.000 0.017 0.000 1.869 138 F HN -0.725 7.569 8.300 0.147 0.094 0.562 139 D N -3.676 116.731 120.400 0.012 0.000 10.852 139 D HA -0.381 4.228 4.640 -0.052 0.000 0.361 139 D C -1.757 174.541 176.300 -0.004 0.000 3.101 139 D CA 1.155 55.106 54.000 -0.082 0.000 2.575 139 D CB 0.222 40.901 40.800 -0.202 0.000 1.168 139 D HN -0.052 8.448 8.370 0.217 0.000 0.953 140 A N 1.588 124.416 122.820 0.013 0.000 2.855 140 A HA 0.045 4.367 4.320 0.003 0.000 0.313 140 A C -1.158 176.436 177.584 0.018 0.000 1.173 140 A CA -0.401 51.645 52.037 0.014 0.000 0.753 140 A CB 1.114 20.128 19.000 0.023 0.000 1.200 140 A HN 0.035 8.197 8.150 0.020 0.000 0.442 141 D N 0.051 120.459 120.400 0.014 0.000 2.792 141 D HA -0.387 4.263 4.640 0.017 0.000 0.231 141 D C -0.172 176.147 176.300 0.031 0.000 1.160 141 D CA 1.052 55.062 54.000 0.018 0.000 0.697 141 D CB -1.635 39.170 40.800 0.008 0.000 1.070 141 D HN -0.034 8.400 8.370 0.005 -0.061 0.426 142 G N -1.710 107.118 108.800 0.048 0.000 2.938 142 G HA2 0.161 4.149 3.960 0.045 0.000 0.258 142 G HA3 0.161 4.160 3.960 0.064 0.000 0.258 142 G C -1.139 173.810 174.900 0.082 0.000 1.356 142 G CA -0.816 44.319 45.100 0.059 0.000 1.052 142 G HN -0.651 7.853 8.290 0.052 -0.183 0.550 143 N N -0.021 118.730 118.700 0.084 0.000 2.370 143 N HA 0.018 4.799 4.740 0.068 0.000 0.265 143 N C 0.954 176.546 175.510 0.137 0.000 1.338 143 N CA 0.321 53.421 53.050 0.083 0.000 0.913 143 N CB 0.394 38.914 38.487 0.055 0.000 1.094 143 N HN 0.203 8.628 8.380 0.074 0.000 0.438 144 G N -2.383 106.473 108.800 0.095 0.000 3.020 144 G HA2 0.062 4.097 3.960 0.124 0.000 0.217 144 G HA3 0.062 3.994 3.960 -0.048 0.000 0.217 144 G C -1.562 173.444 174.900 0.177 0.000 1.144 144 G CA -0.131 45.017 45.100 0.080 0.000 0.760 144 G HN 0.031 8.356 8.290 0.060 0.000 0.548 145 A N 0.475 123.381 122.820 0.145 0.000 2.276 145 A HA 0.572 5.101 4.320 0.144 -0.123 0.300 145 A C -0.926 176.748 177.584 0.149 0.000 1.235 145 A CA -0.612 51.507 52.037 0.137 0.000 0.867 145 A CB 0.908 19.962 19.000 0.090 0.000 1.137 145 A HN -0.570 7.601 8.150 0.115 0.049 0.527 146 I N -1.329 119.337 120.570 0.160 0.000 3.237 146 I HA 0.455 4.697 4.170 0.120 0.000 0.308 146 I C -1.312 174.950 176.117 0.240 0.000 1.093 146 I CA -2.147 59.236 61.300 0.138 0.000 1.001 146 I CB 3.055 41.065 38.000 0.016 0.000 1.245 146 I HN 0.093 8.408 8.210 0.175 0.000 0.485 147 H N -0.148 118.971 119.070 0.081 0.000 3.199 147 H HA 0.311 4.929 4.556 0.103 0.000 0.292 147 H C -0.524 174.719 175.328 -0.140 0.000 1.600 147 H CA -1.430 54.629 56.048 0.018 0.000 1.235 147 H CB 3.565 33.321 29.762 -0.009 0.000 1.839 147 H HN -0.190 8.207 8.280 0.196 0.000 0.623 148 F N 0.133 119.216 119.950 -1.444 0.000 2.615 148 F HA 0.023 3.860 4.527 -1.150 0.000 0.297 148 F C 0.157 175.721 175.800 -0.393 0.000 1.124 148 F CA 0.832 58.030 58.000 -1.337 0.000 1.451 148 F CB 0.932 38.728 39.000 -2.007 0.000 1.103 148 F HN 0.543 7.232 8.300 -2.685 0.000 0.569 149 E N 1.065 120.975 120.200 -0.483 0.000 2.001 149 E HA -0.402 3.598 4.350 -0.584 0.000 0.193 149 E C 1.509 177.995 176.600 -0.189 0.000 0.994 149 E CA 3.894 60.087 56.400 -0.345 0.000 0.815 149 E CB -0.355 29.317 29.700 -0.047 0.000 0.770 149 E HN -0.760 7.388 8.360 -0.293 0.036 0.453 150 D N -1.783 118.605 120.400 -0.021 0.000 2.280 150 D HA -0.295 4.372 4.640 0.045 0.000 0.206 150 D C 2.272 178.666 176.300 0.155 0.000 0.988 150 D CA 3.114 57.158 54.000 0.073 0.000 0.886 150 D CB -0.716 40.157 40.800 0.122 0.000 0.914 150 D HN 0.294 8.673 8.370 0.016 0.000 0.473 151 F N 0.660 120.592 119.950 -0.031 0.000 2.187 151 F HA -0.175 4.531 4.527 0.299 0.000 0.295 151 F C 1.287 177.084 175.800 -0.005 0.000 1.091 151 F CA 3.175 61.219 58.000 0.074 0.000 1.308 151 F CB 0.446 39.484 39.000 0.064 0.000 1.030 151 F HN -0.920 7.293 8.300 0.096 0.144 0.487 152 V N 0.265 120.101 119.914 -0.130 0.000 2.427 152 V HA -0.444 3.689 4.120 0.020 0.000 0.248 152 V C 1.513 177.593 176.094 -0.022 0.000 1.051 152 V CA 4.217 66.424 62.300 -0.155 0.000 1.048 152 V CB 0.024 31.546 31.823 -0.502 0.000 0.666 152 V HN -0.013 7.763 8.190 -0.370 0.192 0.456 153 V N -0.585 119.302 119.914 -0.045 0.000 2.295 153 V HA -0.387 3.743 4.120 0.016 0.000 0.246 153 V C 2.279 178.346 176.094 -0.046 0.000 1.049 153 V CA 4.462 66.754 62.300 -0.014 0.000 1.024 153 V CB -0.769 31.043 31.823 -0.019 0.000 0.648 153 V HN 0.162 8.289 8.190 -0.087 0.011 0.447 154 G N -0.763 108.000 108.800 -0.061 0.000 2.469 154 G HA2 -0.347 3.466 3.960 -0.245 0.000 0.219 154 G HA3 -0.347 3.543 3.960 -0.117 0.000 0.219 154 G C 1.378 176.120 174.900 -0.264 0.000 1.150 154 G CA 2.224 47.212 45.100 -0.186 0.000 0.763 154 G HN -0.546 7.743 8.290 -0.001 0.000 0.561 155 L N 0.233 121.333 121.223 -0.205 0.000 2.089 155 L HA -0.304 3.906 4.340 -0.217 0.000 0.213 155 L C 1.845 178.695 176.870 -0.034 0.000 1.079 155 L CA 2.880 57.629 54.840 -0.151 0.000 0.758 155 L CB -0.854 41.155 42.059 -0.084 0.000 0.891 155 L HN -0.096 7.938 8.230 -0.216 0.067 0.433 156 S N -0.900 114.839 115.700 0.065 0.000 2.368 156 S HA -0.292 4.360 4.470 0.303 0.000 0.225 156 S C 2.716 177.271 174.600 -0.075 0.000 1.030 156 S CA 3.597 61.856 58.200 0.098 0.000 0.999 156 S CB -0.705 62.492 63.200 -0.005 0.000 0.844 156 S HN -0.075 8.138 8.310 0.057 0.131 0.459 157 I N 2.380 122.836 120.570 -0.190 0.000 2.286 157 I HA -0.393 3.659 4.170 -0.198 0.000 0.248 157 I C 1.989 177.922 176.117 -0.307 0.000 1.115 157 I CA 3.479 64.608 61.300 -0.285 0.000 1.392 157 I CB -0.113 37.595 38.000 -0.486 0.000 1.065 157 I HN -0.305 7.679 8.210 -0.201 0.105 0.418 158 L N -1.982 119.033 121.223 -0.347 0.000 2.068 158 L HA -0.267 3.897 4.340 -0.293 0.000 0.204 158 L C 2.341 179.130 176.870 -0.135 0.000 1.076 158 L CA 2.856 57.529 54.840 -0.278 0.000 0.753 158 L CB -0.206 41.670 42.059 -0.305 0.000 0.910 158 L HN -0.357 7.563 8.230 -0.365 0.091 0.439 159 L N -1.884 119.291 121.223 -0.080 0.000 1.950 159 L HA -0.273 4.054 4.340 -0.021 0.000 0.210 159 L C 1.127 177.998 176.870 0.000 0.000 1.079 159 L CA 2.521 57.356 54.840 -0.008 0.000 0.754 159 L CB 0.429 42.532 42.059 0.073 0.000 0.889 159 L HN 0.417 8.475 8.230 -0.088 0.119 0.433 160 R N 0.635 121.145 120.500 0.017 0.000 3.235 160 R HA 0.051 4.387 4.340 -0.006 0.000 0.232 160 R C -1.367 174.902 176.300 -0.051 0.000 1.475 160 R CA -0.957 55.135 56.100 -0.013 0.000 1.405 160 R CB -1.476 28.808 30.300 -0.027 0.000 1.266 160 R HN -0.540 7.762 8.270 0.054 0.000 0.650 161 G N 3.708 112.476 108.800 -0.053 0.000 2.761 161 G HA2 0.236 4.368 3.960 -0.051 0.000 0.296 161 G HA3 0.236 4.344 3.960 -0.086 -0.200 0.296 161 G C -0.914 173.958 174.900 -0.046 0.000 1.416 161 G CA -0.015 45.049 45.100 -0.060 0.000 1.105 161 G HN -0.560 7.668 8.290 -0.044 0.035 0.565 162 T N 2.443 116.976 114.554 -0.035 0.000 2.833 162 T HA 0.248 4.567 4.350 -0.051 0.000 0.312 162 T C 1.781 176.454 174.700 -0.045 0.000 1.085 162 T CA -1.367 60.701 62.100 -0.052 0.000 0.955 162 T CB 0.872 69.691 68.868 -0.083 0.000 1.353 162 T HN -0.309 8.044 8.240 -0.023 -0.127 0.544 163 V N -2.970 116.889 119.914 -0.091 0.000 2.626 163 V HA -0.260 3.869 4.120 0.015 0.000 0.252 163 V C 1.432 177.557 176.094 0.051 0.000 1.067 163 V CA 3.437 65.716 62.300 -0.035 0.000 1.081 163 V CB -1.269 30.509 31.823 -0.074 0.000 0.686 163 V HN 0.294 8.395 8.190 -0.149 0.000 0.468 164 H N 0.612 119.705 119.070 0.037 0.000 2.256 164 H HA -0.295 4.296 4.556 0.057 0.000 0.299 164 H C 2.608 177.953 175.328 0.028 0.000 1.071 164 H CA 3.109 59.179 56.048 0.036 0.000 1.280 164 H CB -0.596 29.174 29.762 0.014 0.000 1.370 164 H HN 0.183 8.325 8.280 -0.190 0.023 0.490 165 E N -1.231 119.053 120.200 0.141 0.000 2.130 165 E HA -0.390 3.994 4.350 0.057 0.000 0.196 165 E C 2.480 179.123 176.600 0.071 0.000 0.998 165 E CA 2.846 59.283 56.400 0.061 0.000 0.806 165 E CB -0.455 29.242 29.700 -0.005 0.000 0.738 165 E HN 0.136 8.580 8.360 0.140 0.000 0.459 166 K N -0.850 119.593 120.400 0.071 0.000 2.057 166 K HA -0.225 4.148 4.320 0.088 0.000 0.206 166 K C 2.374 179.077 176.600 0.172 0.000 1.050 166 K CA 2.596 58.946 56.287 0.105 0.000 0.935 166 K CB -0.102 32.448 32.500 0.085 0.000 0.715 166 K HN -0.771 7.428 8.250 0.061 0.088 0.439 167 L N -0.265 121.067 121.223 0.182 0.000 2.079 167 L HA -0.405 4.111 4.340 0.293 0.000 0.210 167 L C 1.419 178.347 176.870 0.098 0.000 1.081 167 L CA 3.928 58.904 54.840 0.226 0.000 0.752 167 L CB -0.103 42.130 42.059 0.289 0.000 0.896 167 L HN 0.432 8.578 8.230 0.176 0.190 0.433 168 K N -1.094 119.346 120.400 0.067 0.000 2.062 168 K HA -0.337 3.899 4.320 -0.139 0.000 0.205 168 K C 1.991 178.610 176.600 0.033 0.000 1.051 168 K CA 3.452 59.728 56.287 -0.018 0.000 0.941 168 K CB -0.291 32.204 32.500 -0.008 0.000 0.719 168 K HN -0.419 7.783 8.250 0.101 0.108 0.440 169 W N 0.047 121.281 121.300 -0.111 0.000 2.381 169 W HA -0.240 4.322 4.660 -0.163 0.000 0.301 169 W C 1.956 178.360 176.519 -0.192 0.000 1.205 169 W CA 4.156 61.413 57.345 -0.148 0.000 1.285 169 W CB -0.077 29.300 29.460 -0.138 0.000 1.133 169 W HN -0.270 7.985 8.180 0.257 0.079 0.521 170 A N -1.831 120.996 122.820 0.011 0.000 1.930 170 A HA -0.313 3.849 4.320 -0.263 0.000 0.217 170 A C 1.321 178.396 177.584 -0.848 0.000 1.175 170 A CA 2.908 54.768 52.037 -0.296 0.000 0.627 170 A CB -0.886 18.099 19.000 -0.025 0.000 0.815 170 A HN 0.551 8.680 8.150 0.140 0.106 0.443 171 F N -0.257 119.267 119.950 -0.710 0.000 2.134 171 F HA -0.335 3.615 4.527 -0.962 0.000 0.299 171 F C 1.631 177.077 175.800 -0.589 0.000 1.097 171 F CA 3.111 60.608 58.000 -0.839 0.000 1.264 171 F CB 0.190 38.659 39.000 -0.886 0.000 1.001 171 F HN -0.142 8.038 8.300 -0.199 0.000 0.479 172 N N -1.499 117.111 118.700 -0.150 0.000 2.166 172 N HA -0.305 4.429 4.740 -0.010 0.000 0.186 172 N C 1.642 176.927 175.510 -0.376 0.000 1.019 172 N CA 3.414 56.347 53.050 -0.195 0.000 0.856 172 N CB 0.071 38.389 38.487 -0.281 0.000 0.993 172 N HN -0.259 8.038 8.380 -0.138 0.000 0.426 173 L N 0.391 121.318 121.223 -0.493 0.000 2.017 173 L HA -0.266 3.842 4.340 -0.386 0.000 0.208 173 L C 1.670 178.436 176.870 -0.173 0.000 1.073 173 L CA 2.520 57.135 54.840 -0.375 0.000 0.745 173 L CB 0.216 42.089 42.059 -0.309 0.000 0.894 173 L HN -0.597 7.195 8.230 -0.564 0.101 0.432 174 Y N -3.501 116.638 120.300 -0.268 0.000 2.981 174 Y HA -0.140 4.311 4.550 -0.165 0.000 0.378 174 Y C -1.498 174.186 175.900 -0.359 0.000 1.047 174 Y CA -0.803 57.139 58.100 -0.263 0.000 1.698 174 Y CB -2.741 35.567 38.460 -0.253 0.000 1.780 174 Y HN -0.582 7.268 8.280 -0.717 0.000 0.452 175 D N -3.956 116.283 120.400 -0.268 0.000 2.711 175 D HA 0.130 4.610 4.640 -0.266 0.000 0.204 175 D C -1.765 174.318 176.300 -0.361 0.000 1.257 175 D CA 0.239 54.064 54.000 -0.292 0.000 0.808 175 D CB 2.314 42.971 40.800 -0.238 0.000 1.780 175 D HN -0.242 7.792 8.370 -0.302 0.155 0.537 176 I N 0.547 120.888 120.570 -0.381 0.000 4.916 176 I HA 0.177 4.161 4.170 -0.310 0.000 0.335 176 I C -0.188 175.805 176.117 -0.207 0.000 1.274 176 I CA -1.058 60.023 61.300 -0.366 0.000 1.365 176 I CB 1.106 38.735 38.000 -0.618 0.000 1.395 176 I HN 0.226 8.234 8.210 -0.336 0.000 0.485 177 N N 1.180 119.778 118.700 -0.169 0.000 2.328 177 N HA -0.043 4.655 4.740 -0.070 0.000 0.277 177 N C -0.261 175.211 175.510 -0.063 0.000 1.286 177 N CA -0.541 52.456 53.050 -0.089 0.000 0.949 177 N CB 0.516 38.963 38.487 -0.067 0.000 1.136 177 N HN -0.311 7.948 8.380 -0.201 0.000 0.550 178 K N -1.628 118.750 120.400 -0.037 0.000 2.545 178 K HA -0.254 4.052 4.320 -0.025 0.000 0.269 178 K C -0.464 176.126 176.600 -0.017 0.000 1.071 178 K CA 0.386 56.659 56.287 -0.023 0.000 0.919 178 K CB 0.045 32.538 32.500 -0.012 0.000 1.169 178 K HN 0.034 8.266 8.250 -0.030 0.000 0.493 179 D N -3.119 117.278 120.400 -0.005 0.000 4.959 179 D HA -0.230 4.416 4.640 0.011 0.000 0.313 179 D C -0.964 175.345 176.300 0.014 0.000 2.491 179 D CA 0.964 54.970 54.000 0.009 0.000 1.123 179 D CB -0.300 40.510 40.800 0.016 0.000 1.160 179 D HN -0.067 8.300 8.370 -0.004 0.000 1.324 180 G N -3.207 105.617 108.800 0.040 0.000 4.658 180 G HA2 0.169 4.167 3.960 0.064 0.000 0.279 180 G HA3 0.169 4.167 3.960 0.063 0.000 0.279 180 G C -1.369 173.620 174.900 0.148 0.000 0.997 180 G CA -0.120 45.025 45.100 0.075 0.000 0.765 180 G HN 0.037 8.353 8.290 0.044 0.000 0.442 181 C N -0.904 118.467 119.300 0.117 0.000 2.470 181 C HA 0.545 5.241 4.460 0.256 -0.083 0.341 181 C C -1.344 173.719 174.990 0.123 0.000 1.190 181 C CA -1.861 57.255 59.018 0.165 0.000 1.904 181 C CB 2.546 30.363 27.740 0.130 0.000 2.354 181 C HN 0.475 9.413 8.230 0.075 -0.662 0.509 182 I N -1.169 119.501 120.570 0.168 0.000 2.822 182 I HA 0.150 4.348 4.170 0.047 0.000 0.312 182 I C -0.891 175.384 176.117 0.264 0.000 1.011 182 I CA -0.809 60.573 61.300 0.138 0.000 1.105 182 I CB 3.026 41.113 38.000 0.145 0.000 1.291 182 I HN 0.987 9.205 8.210 0.242 0.137 0.474 183 T N 0.056 114.754 114.554 0.240 0.000 2.853 183 T HA 0.346 5.088 4.350 0.653 0.000 0.311 183 T C -0.161 174.467 174.700 -0.120 0.000 1.307 183 T CA -2.156 60.087 62.100 0.237 0.000 1.019 183 T CB 2.462 71.371 68.868 0.068 0.000 1.264 183 T HN -0.237 8.084 8.240 0.136 0.000 0.497 184 K N 3.108 122.893 120.400 -1.025 0.000 2.280 184 K HA -0.319 3.650 4.320 -0.584 0.000 0.202 184 K C 1.284 177.648 176.600 -0.394 0.000 1.047 184 K CA 3.352 59.069 56.287 -0.949 0.000 0.942 184 K CB -0.444 31.227 32.500 -1.381 0.000 0.739 184 K HN 0.596 7.857 8.250 -1.648 0.000 0.457 185 E N 0.696 120.721 120.200 -0.293 0.000 2.006 185 E HA -0.247 4.009 4.350 -0.158 0.000 0.192 185 E C 1.960 178.496 176.600 -0.108 0.000 0.993 185 E CA 2.953 59.257 56.400 -0.160 0.000 0.808 185 E CB -0.683 28.951 29.700 -0.110 0.000 0.764 185 E HN -0.144 7.984 8.360 -0.319 0.040 0.449 186 E N -1.242 118.910 120.200 -0.080 0.000 2.171 186 E HA -0.358 3.972 4.350 -0.034 0.000 0.197 186 E C 2.579 179.142 176.600 -0.061 0.000 0.997 186 E CA 2.818 59.187 56.400 -0.052 0.000 0.810 186 E CB -0.657 29.014 29.700 -0.048 0.000 0.738 186 E HN 0.204 8.517 8.360 -0.078 0.000 0.467 187 M N -0.375 119.166 119.600 -0.098 0.000 2.229 187 M HA -0.320 4.067 4.480 -0.155 0.000 0.264 187 M C 1.397 177.623 176.300 -0.123 0.000 1.063 187 M CA 3.381 58.598 55.300 -0.138 0.000 1.114 187 M CB -0.001 32.500 32.600 -0.165 0.000 1.387 187 M HN -0.382 7.737 8.290 -0.108 0.106 0.420 188 L N -0.516 120.638 121.223 -0.115 0.000 2.056 188 L HA -0.338 3.927 4.340 -0.124 0.000 0.207 188 L C 1.852 178.677 176.870 -0.076 0.000 1.078 188 L CA 2.801 57.577 54.840 -0.108 0.000 0.749 188 L CB -0.255 41.740 42.059 -0.107 0.000 0.901 188 L HN 0.011 8.019 8.230 -0.125 0.147 0.433 189 A N -0.716 122.084 122.820 -0.034 0.000 1.930 189 A HA -0.300 4.020 4.320 -0.000 0.000 0.217 189 A C 2.183 179.803 177.584 0.060 0.000 1.175 189 A CA 3.167 55.216 52.037 0.020 0.000 0.627 189 A CB -0.904 18.136 19.000 0.066 0.000 0.815 189 A HN -0.447 7.679 8.150 -0.039 0.000 0.443 190 I N -0.771 119.837 120.570 0.065 0.000 2.226 190 I HA -0.344 3.974 4.170 0.246 0.000 0.245 190 I C 2.042 178.197 176.117 0.063 0.000 1.100 190 I CA 2.922 64.292 61.300 0.117 0.000 1.374 190 I CB -1.035 36.978 38.000 0.022 0.000 1.057 190 I HN -0.454 7.671 8.210 0.020 0.097 0.413 191 M N -0.445 119.142 119.600 -0.022 0.000 2.159 191 M HA -0.405 4.105 4.480 0.051 0.000 0.263 191 M C 1.813 178.105 176.300 -0.013 0.000 1.063 191 M CA 2.842 58.123 55.300 -0.031 0.000 1.110 191 M CB -0.533 31.968 32.600 -0.165 0.000 1.374 191 M HN -0.240 8.014 8.290 -0.060 0.000 0.411 192 K N -0.678 119.683 120.400 -0.064 0.000 2.057 192 K HA -0.422 3.845 4.320 -0.088 0.000 0.207 192 K C 2.155 178.798 176.600 0.072 0.000 1.049 192 K CA 3.743 60.013 56.287 -0.029 0.000 0.931 192 K CB -0.199 32.278 32.500 -0.037 0.000 0.714 192 K HN -0.368 7.752 8.250 -0.070 0.088 0.440 193 S N -0.112 115.623 115.700 0.058 0.000 2.348 193 S HA -0.325 4.155 4.470 0.016 0.000 0.221 193 S C 2.157 176.783 174.600 0.043 0.000 1.033 193 S CA 3.817 62.042 58.200 0.041 0.000 1.010 193 S CB -0.095 63.129 63.200 0.040 0.000 0.891 193 S HN -0.528 7.735 8.310 0.053 0.079 0.442 194 I N 1.174 121.777 120.570 0.054 0.000 2.361 194 I HA -0.478 3.579 4.170 -0.188 0.000 0.251 194 I C 1.722 177.896 176.117 0.095 0.000 1.133 194 I CA 3.767 65.058 61.300 -0.015 0.000 1.413 194 I CB -0.287 37.738 38.000 0.041 0.000 1.073 194 I HN -0.530 7.737 8.210 0.094 0.000 0.424 195 Y N -1.302 118.991 120.300 -0.011 0.000 2.200 195 Y HA -0.384 4.183 4.550 0.030 0.000 0.290 195 Y C 1.288 177.198 175.900 0.018 0.000 1.137 195 Y CA 3.533 61.641 58.100 0.012 0.000 1.163 195 Y CB -0.169 38.295 38.460 0.006 0.000 0.988 195 Y HN -0.063 8.318 8.280 0.362 0.116 0.518 196 D N -3.836 116.659 120.400 0.158 0.000 2.269 196 D HA -0.133 4.569 4.640 0.102 0.000 0.208 196 D C 1.118 177.456 176.300 0.064 0.000 0.963 196 D CA 1.999 56.055 54.000 0.094 0.000 0.864 196 D CB 0.436 41.278 40.800 0.071 0.000 0.936 196 D HN -0.254 8.218 8.370 0.169 0.000 0.505 197 M N -1.179 118.441 119.600 0.034 0.000 2.287 197 M HA -0.133 4.397 4.480 0.083 0.000 0.266 197 M C -0.043 176.296 176.300 0.064 0.000 1.079 197 M CA 1.017 56.333 55.300 0.026 0.000 1.146 197 M CB 1.059 33.589 32.600 -0.118 0.000 1.374 197 M HN -0.696 7.463 8.290 0.027 0.147 0.435 198 M N 1.327 120.930 119.600 0.005 0.000 2.987 198 M HA -0.244 4.249 4.480 0.021 0.000 0.331 198 M C -0.093 176.216 176.300 0.015 0.000 1.766 198 M CA 0.989 56.289 55.300 0.000 0.000 1.445 198 M CB -0.562 31.989 32.600 -0.081 0.000 1.925 198 M HN -0.473 7.805 8.290 -0.019 0.000 0.467 199 G N 0.768 109.591 108.800 0.038 0.000 3.042 199 G HA2 0.074 3.999 3.960 -0.058 0.000 0.212 199 G HA3 0.074 3.996 3.960 -0.065 0.000 0.212 199 G C -1.351 173.347 174.900 -0.336 0.000 1.166 199 G CA -0.585 44.462 45.100 -0.088 0.000 0.767 199 G HN -0.208 8.174 8.290 0.153 0.000 0.546 200 R N -1.063 119.284 120.500 -0.254 0.000 2.407 200 R HA 0.132 4.196 4.340 -0.460 0.000 0.303 200 R C -0.906 175.232 176.300 -0.269 0.000 0.981 200 R CA -0.203 55.705 56.100 -0.321 0.000 0.905 200 R CB 1.316 31.555 30.300 -0.102 0.000 1.099 200 R HN -0.491 7.641 8.270 -0.104 0.075 0.459 201 H N 0.833 119.896 119.070 -0.013 0.000 3.808 201 H HA 0.069 4.639 4.556 0.023 0.000 0.267 201 H C -1.634 173.676 175.328 -0.029 0.000 1.168 201 H CA -0.834 55.211 56.048 -0.005 0.000 1.089 201 H CB -0.155 29.596 29.762 -0.018 0.000 3.342 201 H HN 0.204 8.273 8.280 -0.351 0.000 0.721 202 T N -2.416 112.203 114.554 0.108 0.000 2.680 202 T HA -0.146 4.159 4.350 -0.075 0.000 0.314 202 T C -0.749 173.890 174.700 -0.100 0.000 1.045 202 T CA 0.186 62.187 62.100 -0.165 0.000 1.025 202 T CB 0.517 69.026 68.868 -0.600 0.000 1.000 202 T HN -0.460 7.791 8.240 0.018 0.000 0.535 203 Y N -3.870 116.459 120.300 0.048 0.000 2.511 203 Y HA -0.224 4.338 4.550 0.021 0.000 0.022 203 Y C -2.003 173.912 175.900 0.024 0.000 1.706 203 Y CA -0.005 58.113 58.100 0.029 0.000 1.416 203 Y CB -2.313 36.163 38.460 0.026 0.000 2.062 203 Y HN 0.582 8.499 8.280 -0.605 0.000 0.255 204 P HA 0.115 4.568 4.420 0.055 0.000 0.268 204 P C -1.580 175.772 177.300 0.088 0.000 1.208 204 P CA 0.246 63.399 63.100 0.089 0.000 0.777 204 P CB 0.628 32.369 31.700 0.070 0.000 0.875 205 I N 0.571 121.174 120.570 0.056 0.000 2.710 205 I HA 0.058 4.261 4.170 0.054 0.000 0.290 205 I C -1.192 174.944 176.117 0.033 0.000 1.318 205 I CA -0.682 60.649 61.300 0.051 0.000 1.045 205 I CB 1.617 39.652 38.000 0.059 0.000 1.307 205 I HN -0.346 7.888 8.210 0.039 0.000 0.424 206 L N 6.557 127.799 121.223 0.031 0.000 2.004 206 L HA 0.126 4.478 4.340 0.021 0.000 0.205 206 L C 0.292 177.177 176.870 0.026 0.000 1.089 206 L CA 1.214 56.069 54.840 0.025 0.000 0.756 206 L CB -0.538 41.535 42.059 0.024 0.000 0.900 206 L HN 0.260 8.510 8.230 0.034 0.000 0.440 207 R N -0.719 119.799 120.500 0.030 0.000 2.538 207 R HA -0.238 4.122 4.340 0.034 0.000 0.273 207 R C -0.222 176.099 176.300 0.035 0.000 0.967 207 R CA 0.531 56.651 56.100 0.034 0.000 1.101 207 R CB 0.240 30.563 30.300 0.038 0.000 0.908 207 R HN -0.143 8.145 8.270 0.030 0.000 0.411 208 E N 3.175 123.400 120.200 0.041 0.000 2.062 208 E HA -0.063 4.306 4.350 0.031 0.000 0.196 208 E C -0.247 176.396 176.600 0.073 0.000 0.949 208 E CA 0.723 57.150 56.400 0.043 0.000 0.889 208 E CB 1.072 30.795 29.700 0.039 0.000 0.928 208 E HN 0.365 8.751 8.360 0.043 0.000 0.476 209 D N -2.478 117.983 120.400 0.102 0.000 2.717 209 D HA 0.271 5.058 4.640 0.245 0.000 0.223 209 D C -1.580 174.813 176.300 0.156 0.000 1.240 209 D CA -0.221 53.897 54.000 0.196 0.000 0.801 209 D CB 2.078 43.017 40.800 0.231 0.000 1.556 209 D HN -0.151 8.267 8.370 0.079 0.000 0.462 210 A N 1.419 124.355 122.820 0.194 0.000 3.134 210 A HA 0.346 4.681 4.320 0.024 0.000 0.237 210 A C -2.555 175.047 177.584 0.030 0.000 1.233 210 A CA -0.332 51.750 52.037 0.074 0.000 1.112 210 A CB 0.138 19.185 19.000 0.078 0.000 1.365 210 A HN -0.004 8.367 8.150 0.368 0.000 0.796 211 P HA -0.067 4.244 4.420 -0.180 0.000 0.236 211 P C 0.022 177.232 177.300 -0.150 0.000 1.172 211 P CA 0.879 63.766 63.100 -0.354 0.000 0.759 211 P CB 0.097 31.203 31.700 -0.990 0.000 0.843 212 L N -0.680 120.494 121.223 -0.082 0.000 2.116 212 L HA -0.247 4.055 4.340 -0.063 0.000 0.200 212 L C 1.384 178.264 176.870 0.016 0.000 1.084 212 L CA 3.202 58.017 54.840 -0.042 0.000 0.766 212 L CB -0.085 41.950 42.059 -0.041 0.000 0.930 212 L HN -0.356 7.722 8.230 -0.073 0.108 0.453 213 E N -1.076 119.143 120.200 0.032 0.000 2.169 213 E HA -0.513 4.011 4.350 0.029 -0.157 0.202 213 E C 2.328 178.966 176.600 0.062 0.000 1.016 213 E CA 3.310 59.737 56.400 0.044 0.000 0.817 213 E CB -0.495 29.233 29.700 0.047 0.000 0.736 213 E HN 0.025 8.399 8.360 0.023 0.000 0.462 214 H N -1.192 117.885 119.070 0.011 0.000 2.276 214 H HA -0.172 4.409 4.556 0.042 0.000 0.301 214 H C 2.371 177.737 175.328 0.063 0.000 1.073 214 H CA 3.984 60.048 56.048 0.028 0.000 1.311 214 H CB 0.541 30.301 29.762 -0.003 0.000 1.379 214 H HN -0.788 7.574 8.280 0.171 0.021 0.494 215 V N -1.385 118.626 119.914 0.161 0.000 2.828 215 V HA -0.421 3.767 4.120 0.115 0.000 0.260 215 V C 2.083 178.264 176.094 0.145 0.000 1.101 215 V CA 3.577 65.938 62.300 0.100 0.000 1.123 215 V CB -0.224 31.590 31.823 -0.016 0.000 0.704 215 V HN -0.638 7.637 8.190 0.142 0.000 0.493 216 E N 0.781 121.042 120.200 0.102 0.000 2.051 216 E HA -0.271 4.154 4.350 0.124 0.000 0.189 216 E C 2.043 178.726 176.600 0.139 0.000 0.979 216 E CA 3.351 59.816 56.400 0.109 0.000 0.803 216 E CB -0.220 29.512 29.700 0.054 0.000 0.761 216 E HN 0.190 8.438 8.360 0.076 0.157 0.451 217 R N -1.153 119.393 120.500 0.077 0.000 2.115 217 R HA -0.258 4.099 4.340 0.028 0.000 0.230 217 R C 2.650 178.991 176.300 0.068 0.000 1.111 217 R CA 3.059 59.178 56.100 0.031 0.000 0.976 217 R CB 0.006 30.271 30.300 -0.058 0.000 0.870 217 R HN -0.417 7.879 8.270 0.044 0.000 0.445 218 F N 1.213 121.154 119.950 -0.014 0.000 2.206 218 F HA -0.293 4.210 4.527 -0.040 0.000 0.298 218 F C 1.070 176.913 175.800 0.072 0.000 1.090 218 F CA 3.276 61.285 58.000 0.014 0.000 1.323 218 F CB 0.176 39.213 39.000 0.061 0.000 1.028 218 F HN -0.168 8.259 8.300 0.248 0.021 0.492 219 F N -0.549 119.591 119.950 0.317 0.000 2.234 219 F HA -0.345 4.365 4.527 0.305 0.000 0.296 219 F C 1.675 177.517 175.800 0.069 0.000 1.089 219 F CA 3.716 61.845 58.000 0.216 0.000 1.343 219 F CB 0.492 39.585 39.000 0.156 0.000 1.040 219 F HN -0.511 8.125 8.300 0.559 0.000 0.498 220 Q N -1.822 118.075 119.800 0.162 0.000 2.167 220 Q HA -0.260 4.110 4.340 0.051 0.000 0.202 220 Q C 1.055 177.020 176.000 -0.058 0.000 0.970 220 Q CA 2.609 58.439 55.803 0.045 0.000 0.855 220 Q CB 0.381 29.153 28.738 0.057 0.000 0.911 220 Q HN -0.201 8.207 8.270 0.230 0.000 0.438 221 K N -3.525 116.813 120.400 -0.103 0.000 2.116 221 K HA -0.083 4.161 4.320 -0.127 0.000 0.203 221 K C 1.337 177.793 176.600 -0.239 0.000 1.052 221 K CA 1.754 57.938 56.287 -0.172 0.000 0.952 221 K CB 0.442 32.810 32.500 -0.220 0.000 0.729 221 K HN -0.351 7.839 8.250 -0.069 0.019 0.446 222 M N -1.886 117.520 119.600 -0.323 0.000 2.473 222 M HA -0.004 4.302 4.480 -0.289 0.000 0.230 222 M C -0.730 175.387 176.300 -0.305 0.000 1.226 222 M CA 2.062 57.159 55.300 -0.339 0.000 1.235 222 M CB 1.540 33.863 32.600 -0.461 0.000 1.162 222 M HN -0.452 7.647 8.290 -0.318 0.000 0.486 223 D N -1.091 119.015 120.400 -0.489 0.000 2.629 223 D HA -0.324 4.243 4.640 -0.458 -0.202 0.228 223 D C -0.270 175.835 176.300 -0.325 0.000 1.127 223 D CA 2.549 56.164 54.000 -0.642 0.000 0.855 223 D CB 0.925 40.620 40.800 -1.841 0.000 1.180 223 D HN -0.158 7.885 8.370 -0.545 0.000 0.484 224 R N 3.589 123.977 120.500 -0.187 0.000 3.647 224 R HA -0.012 4.289 4.340 -0.065 0.000 0.041 224 R C -1.246 175.030 176.300 -0.040 0.000 0.794 224 R CA 0.717 56.764 56.100 -0.088 0.000 2.582 224 R CB 1.737 31.988 30.300 -0.082 0.000 1.295 224 R HN 0.550 8.943 8.270 -0.173 -0.227 0.481 225 N N 1.072 119.749 118.700 -0.038 0.000 2.239 225 N HA -0.200 4.534 4.740 -0.010 0.000 0.225 225 N C 1.429 176.943 175.510 0.007 0.000 1.283 225 N CA 0.310 53.353 53.050 -0.012 0.000 0.868 225 N CB -0.400 38.082 38.487 -0.007 0.000 1.098 225 N HN -0.457 8.023 8.380 -0.055 -0.133 0.436 226 Q N -1.048 118.761 119.800 0.013 0.000 2.135 226 Q HA -0.484 3.873 4.340 0.028 0.000 0.204 226 Q C 0.746 176.769 176.000 0.037 0.000 0.981 226 Q CA 2.476 58.294 55.803 0.025 0.000 0.856 226 Q CB -0.270 28.480 28.738 0.020 0.000 0.902 226 Q HN 0.495 8.770 8.270 0.009 0.000 0.425 227 D N -3.003 117.418 120.400 0.035 0.000 2.292 227 D HA -0.300 4.368 4.640 0.046 0.000 0.205 227 D C 1.709 178.054 176.300 0.074 0.000 0.994 227 D CA 1.316 55.346 54.000 0.049 0.000 0.897 227 D CB -0.906 39.923 40.800 0.048 0.000 0.907 227 D HN -0.211 8.160 8.370 0.026 0.014 0.467 228 G N -0.499 108.348 108.800 0.078 0.000 2.934 228 G HA2 -0.492 3.552 3.960 0.140 0.000 0.231 228 G HA3 -0.492 3.554 3.960 0.144 0.000 0.231 228 G C -0.358 174.668 174.900 0.208 0.000 1.235 228 G CA 1.199 46.382 45.100 0.140 0.000 0.812 228 G HN -0.023 8.124 8.290 0.053 0.175 0.521 229 V N -2.099 117.922 119.914 0.177 0.000 2.686 229 V HA 0.168 4.590 4.120 0.374 -0.078 0.295 229 V C -0.589 175.607 176.094 0.170 0.000 1.057 229 V CA -0.857 61.580 62.300 0.228 0.000 1.012 229 V CB 1.673 33.599 31.823 0.171 0.000 1.006 229 V HN -0.205 7.933 8.190 0.132 0.131 0.477 230 V N 3.443 123.487 119.914 0.217 0.000 2.498 230 V HA 0.502 4.972 4.120 0.130 -0.272 0.279 230 V C -0.389 175.906 176.094 0.335 0.000 1.048 230 V CA -1.720 60.711 62.300 0.218 0.000 0.967 230 V CB 1.552 33.537 31.823 0.269 0.000 0.988 230 V HN 0.703 8.959 8.190 0.313 0.122 0.473 231 T N 3.889 118.625 114.554 0.303 0.000 2.942 231 T HA 0.423 5.044 4.350 0.450 0.000 0.289 231 T C 0.597 175.424 174.700 0.212 0.000 1.044 231 T CA -3.147 59.131 62.100 0.296 0.000 1.023 231 T CB 3.319 72.262 68.868 0.125 0.000 1.123 231 T HN -0.358 8.015 8.240 0.221 0.000 0.512 232 I N 1.228 121.647 120.570 -0.253 0.000 2.227 232 I HA -0.559 2.992 4.170 -1.032 0.000 0.250 232 I C 0.815 176.862 176.117 -0.117 0.000 1.087 232 I CA 3.877 64.801 61.300 -0.627 0.000 1.352 232 I CB -0.477 37.059 38.000 -0.773 0.000 1.043 232 I HN 0.936 8.975 8.210 -0.286 0.000 0.425 233 D N -1.252 119.117 120.400 -0.052 0.000 2.077 233 D HA -0.324 4.300 4.640 -0.026 0.000 0.193 233 D C 1.997 178.335 176.300 0.064 0.000 0.989 233 D CA 3.804 57.802 54.000 -0.003 0.000 0.831 233 D CB -0.502 40.292 40.800 -0.010 0.000 0.979 233 D HN 0.105 8.416 8.370 -0.068 0.018 0.449 234 E N 0.005 120.259 120.200 0.090 0.000 2.130 234 E HA -0.378 3.989 4.350 0.028 0.000 0.196 234 E C 2.543 179.222 176.600 0.133 0.000 0.998 234 E CA 2.831 59.280 56.400 0.082 0.000 0.806 234 E CB -0.088 29.659 29.700 0.079 0.000 0.738 234 E HN -0.766 7.645 8.360 0.085 0.000 0.459 235 F N 0.470 120.479 119.950 0.098 0.000 2.102 235 F HA -0.286 4.338 4.527 0.161 0.000 0.298 235 F C 1.742 177.591 175.800 0.082 0.000 1.105 235 F CA 3.714 61.815 58.000 0.168 0.000 1.239 235 F CB 0.359 39.582 39.000 0.372 0.000 0.991 235 F HN 0.508 8.851 8.300 0.396 0.195 0.474 236 L N 0.581 121.992 121.223 0.313 0.000 1.994 236 L HA -0.360 4.124 4.340 0.241 0.000 0.208 236 L C 1.713 178.619 176.870 0.060 0.000 1.071 236 L CA 3.096 58.037 54.840 0.169 0.000 0.745 236 L CB -0.246 41.852 42.059 0.065 0.000 0.892 236 L HN 0.499 8.711 8.230 0.284 0.189 0.431 237 E N -1.759 118.459 120.200 0.030 0.000 2.147 237 E HA -0.444 3.901 4.350 -0.008 0.000 0.199 237 E C 2.393 178.969 176.600 -0.041 0.000 1.005 237 E CA 3.229 59.624 56.400 -0.010 0.000 0.810 237 E CB -0.281 29.409 29.700 -0.017 0.000 0.736 237 E HN 0.564 8.841 8.360 0.047 0.111 0.460 238 T N 0.908 115.414 114.554 -0.079 0.000 2.755 238 T HA -0.233 4.036 4.350 -0.135 0.000 0.251 238 T C 1.267 175.888 174.700 -0.132 0.000 1.044 238 T CA 4.886 66.893 62.100 -0.155 0.000 1.154 238 T CB 0.348 69.040 68.868 -0.293 0.000 0.866 238 T HN -0.593 7.493 8.240 -0.060 0.118 0.416 239 C N -0.177 119.037 119.300 -0.144 0.000 2.398 239 C HA -0.409 4.001 4.460 -0.083 0.000 0.282 239 C C 2.071 177.074 174.990 0.022 0.000 1.275 239 C CA 2.163 61.151 59.018 -0.050 0.000 1.797 239 C CB 0.008 27.781 27.740 0.055 0.000 1.991 239 C HN -0.062 8.043 8.230 -0.208 0.000 0.505 240 Q N 0.854 120.671 119.800 0.029 0.000 2.013 240 Q HA -0.133 4.258 4.340 0.086 0.000 0.195 240 Q C 1.052 177.061 176.000 0.015 0.000 0.974 240 Q CA 2.326 58.158 55.803 0.049 0.000 0.826 240 Q CB 0.633 29.399 28.738 0.046 0.000 0.895 240 Q HN 0.081 8.220 8.270 0.012 0.138 0.448 241 K N -2.814 117.581 120.400 -0.009 0.000 2.632 241 K HA -0.035 4.279 4.320 -0.009 0.000 0.196 241 K C -0.129 176.451 176.600 -0.033 0.000 1.023 241 K CA -0.388 55.887 56.287 -0.019 0.000 1.098 241 K CB -0.685 31.798 32.500 -0.029 0.000 0.862 241 K HN -0.708 7.533 8.250 -0.015 0.000 0.504 242 D N 0.373 120.753 120.400 -0.034 0.000 2.363 242 D HA -0.121 4.477 4.640 -0.070 0.000 0.240 242 D C -0.477 175.807 176.300 -0.027 0.000 1.236 242 D CA 0.567 54.539 54.000 -0.047 0.000 0.927 242 D CB 2.065 42.838 40.800 -0.045 0.000 1.150 242 D HN -0.545 7.560 8.370 -0.022 0.252 0.458 243 E N 0.420 120.602 120.200 -0.030 0.000 2.414 243 E HA -0.010 4.333 4.350 -0.011 0.000 0.208 243 E C -1.073 175.522 176.600 -0.007 0.000 0.820 243 E CA 0.611 57.001 56.400 -0.017 0.000 1.143 243 E CB 1.719 31.406 29.700 -0.022 0.000 1.150 243 E HN 0.236 8.570 8.360 -0.043 0.000 0.540 244 N N -6.133 112.560 118.700 -0.010 0.000 1.973 244 N HA 0.037 4.788 4.740 0.018 0.000 0.219 244 N C -0.573 174.942 175.510 0.008 0.000 1.447 244 N CA 0.443 53.497 53.050 0.007 0.000 0.825 244 N CB 0.597 39.088 38.487 0.008 0.000 1.096 244 N HN -0.478 7.950 8.380 -0.025 -0.062 0.595 245 I N 2.744 123.302 120.570 -0.020 0.000 2.201 245 I HA -0.347 3.812 4.170 -0.018 0.000 0.233 245 I C 1.077 177.204 176.117 0.016 0.000 1.067 245 I CA 4.144 65.424 61.300 -0.033 0.000 1.354 245 I CB 0.378 38.307 38.000 -0.118 0.000 1.108 245 I HN 0.325 8.685 8.210 -0.035 -0.170 0.411 246 M N -2.508 117.086 119.600 -0.010 0.000 2.446 246 M HA -0.351 4.205 4.480 0.128 0.000 0.263 246 M C 2.187 178.561 176.300 0.124 0.000 1.066 246 M CA 1.261 56.602 55.300 0.069 0.000 1.087 246 M CB -1.727 30.889 32.600 0.026 0.000 1.406 246 M HN -0.033 8.452 8.290 -0.062 -0.231 0.459 247 N N -0.468 118.283 118.700 0.086 0.000 2.188 247 N HA -0.263 4.539 4.740 0.104 0.000 0.184 247 N C 2.061 177.646 175.510 0.124 0.000 1.018 247 N CA 3.464 56.572 53.050 0.095 0.000 0.858 247 N CB -0.268 38.257 38.487 0.062 0.000 0.989 247 N HN -0.540 7.978 8.380 0.051 -0.107 0.426 248 S N 0.626 116.401 115.700 0.125 0.000 2.387 248 S HA -0.235 4.320 4.470 0.143 0.000 0.226 248 S C 1.403 176.139 174.600 0.227 0.000 1.026 248 S CA 3.261 61.553 58.200 0.153 0.000 0.972 248 S CB -0.124 63.153 63.200 0.128 0.000 0.814 248 S HN -0.286 7.968 8.310 0.100 0.116 0.477 249 M N 2.508 122.261 119.600 0.254 0.000 2.108 249 M HA -0.401 4.307 4.480 0.380 0.000 0.261 249 M C 1.359 177.866 176.300 0.345 0.000 1.066 249 M CA 3.749 59.257 55.300 0.347 0.000 1.107 249 M CB -0.228 32.607 32.600 0.393 0.000 1.356 249 M HN -0.589 7.733 8.290 0.217 0.098 0.406 250 Q N -0.322 119.641 119.800 0.272 0.000 2.084 250 Q HA -0.297 4.195 4.340 0.254 0.000 0.202 250 Q C 2.571 178.693 176.000 0.203 0.000 0.978 250 Q CA 3.394 59.335 55.803 0.230 0.000 0.844 250 Q CB -0.003 28.840 28.738 0.177 0.000 0.898 250 Q HN -0.444 7.965 8.270 0.240 0.006 0.426 251 L N -1.243 120.099 121.223 0.198 0.000 2.083 251 L HA -0.373 4.049 4.340 0.136 0.000 0.209 251 L C 2.458 179.461 176.870 0.222 0.000 1.083 251 L CA 2.775 57.722 54.840 0.178 0.000 0.752 251 L CB -0.125 42.034 42.059 0.167 0.000 0.899 251 L HN -0.613 7.664 8.230 0.195 0.070 0.433 252 F N -0.973 119.041 119.950 0.108 0.000 2.293 252 F HA -0.314 4.254 4.527 0.067 0.000 0.297 252 F C 1.654 177.512 175.800 0.096 0.000 1.089 252 F CA 2.218 60.270 58.000 0.087 0.000 1.377 252 F CB 0.497 39.548 39.000 0.085 0.000 1.051 252 F HN -0.226 8.203 8.300 0.392 0.106 0.511 253 E N -0.615 119.668 120.200 0.138 0.000 2.285 253 E HA -0.280 4.047 4.350 -0.038 0.000 0.194 253 E C 1.581 178.211 176.600 0.050 0.000 0.997 253 E CA 2.101 58.549 56.400 0.080 0.000 0.845 253 E CB -0.043 29.805 29.700 0.246 0.000 0.782 253 E HN -0.087 8.320 8.360 0.272 0.117 0.491 254 N N -0.637 118.102 118.700 0.066 0.000 2.137 254 N HA -0.248 4.536 4.740 0.073 0.000 0.190 254 N C 1.421 176.949 175.510 0.030 0.000 1.017 254 N CA 2.731 55.816 53.050 0.058 0.000 0.859 254 N CB -0.111 38.416 38.487 0.066 0.000 1.002 254 N HN -0.058 8.249 8.380 0.098 0.132 0.428 255 V N -2.343 117.555 119.914 -0.027 0.000 2.307 255 V HA -0.317 3.829 4.120 0.043 0.000 0.245 255 V C 1.011 177.111 176.094 0.011 0.000 1.045 255 V CA 2.185 64.472 62.300 -0.021 0.000 1.024 255 V CB 0.139 31.890 31.823 -0.120 0.000 0.651 255 V HN -0.471 7.670 8.190 -0.067 0.009 0.449 256 I N 0.000 120.529 120.570 -0.068 0.000 2.984 256 I HA 0.000 4.177 4.170 0.012 0.000 0.288 256 I CA 0.000 61.310 61.300 0.017 0.000 1.566 256 I CB 0.000 37.952 38.000 -0.080 0.000 1.214 256 I HN 0.000 8.043 8.210 -0.164 0.069 0.494