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 1zo0_1_A DATA FIRST_RESID 94 DATA SEQUENCE ILYSDERLNV TEEPTSNDKT RVLSIQCTLT EAKQVTWRAV WNGGGLYIEL DATA SEQUENCE PAGPLPEGSK DSFAALLEFA EEQLRADHVF ICFPKNREDR AALLRTFSFL DATA SEQUENCE GFEIVRPGHP LVPKRPDACF MVYTLE 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 94 I HA 0.000 4.210 4.170 0.067 0.000 0.288 94 I C 0.000 176.178 176.117 0.102 0.000 1.063 94 I CA 0.000 61.347 61.300 0.078 0.000 1.566 94 I CB 0.000 38.055 38.000 0.092 0.000 1.214 95 L N 1.622 122.896 121.223 0.086 0.000 2.409 95 L HA 0.940 5.363 4.340 -0.102 -0.144 0.272 95 L C -1.609 175.304 176.870 0.072 0.000 0.980 95 L CA -1.024 53.813 54.840 -0.004 0.000 0.826 95 L CB 2.726 44.750 42.059 -0.059 0.000 1.268 95 L HN -0.217 8.061 8.230 0.080 0.000 0.407 96 Y N 0.418 120.707 120.300 -0.019 0.000 2.549 96 Y HA 0.455 4.995 4.550 -0.017 0.000 0.339 96 Y C -2.129 173.754 175.900 -0.028 0.000 1.053 96 Y CA -3.003 55.085 58.100 -0.020 0.000 1.105 96 Y CB 2.491 40.941 38.460 -0.017 0.000 1.258 96 Y HN 0.514 8.355 8.280 -0.733 0.000 0.478 97 S N 1.197 116.951 115.700 0.090 0.000 2.659 97 S HA 0.392 4.976 4.470 -0.065 -0.153 0.312 97 S C -1.243 173.378 174.600 0.035 0.000 1.114 97 S CA -1.238 56.964 58.200 0.004 0.000 1.063 97 S CB 2.343 65.533 63.200 -0.017 0.000 0.996 97 S HN 0.198 8.596 8.310 0.146 0.000 0.478 98 D N 5.621 126.018 120.400 -0.006 0.000 2.494 98 D HA 0.229 4.884 4.640 0.024 0.000 0.256 98 D C -0.643 175.616 176.300 -0.069 0.000 1.197 98 D CA -1.243 52.744 54.000 -0.021 0.000 1.096 98 D CB 0.844 41.609 40.800 -0.058 0.000 1.191 98 D HN 0.977 9.203 8.370 -0.053 0.112 0.608 99 E N 1.135 121.271 120.200 -0.106 0.000 1.939 99 E HA -0.187 4.136 4.350 -0.046 0.000 0.259 99 E C -0.004 176.527 176.600 -0.115 0.000 1.259 99 E CA 1.167 57.515 56.400 -0.087 0.000 0.971 99 E CB -1.245 28.419 29.700 -0.061 0.000 1.055 99 E HN 0.191 8.471 8.360 -0.132 0.000 0.420 100 R N -2.761 117.689 120.500 -0.083 0.000 4.000 100 R HA -0.388 3.912 4.340 -0.068 0.000 0.362 100 R C -2.424 173.811 176.300 -0.109 0.000 1.183 100 R CA 1.156 57.206 56.100 -0.083 0.000 1.011 100 R CB -1.389 28.867 30.300 -0.072 0.000 1.501 100 R HN 0.110 8.342 8.270 -0.063 0.000 0.553 101 L N -3.774 117.368 121.223 -0.137 0.000 2.409 101 L HA 0.520 4.920 4.340 -0.127 -0.137 0.272 101 L C -1.955 174.828 176.870 -0.145 0.000 0.980 101 L CA -0.721 54.026 54.840 -0.154 0.000 0.826 101 L CB 3.534 45.456 42.059 -0.228 0.000 1.268 101 L HN -0.964 7.001 8.230 -0.136 0.184 0.407 102 N N 3.419 122.034 118.700 -0.140 0.000 2.346 102 N HA 0.793 5.575 4.740 -0.195 -0.159 0.289 102 N C -1.980 173.392 175.510 -0.230 0.000 1.027 102 N CA -0.619 52.327 53.050 -0.174 0.000 0.864 102 N CB 3.446 41.862 38.487 -0.118 0.000 1.370 102 N HN 0.044 8.352 8.380 -0.121 0.000 0.481 103 V N 0.800 120.459 119.914 -0.425 0.000 2.864 103 V HA 1.039 5.153 4.120 -0.246 -0.142 0.314 103 V C -1.826 173.985 176.094 -0.472 0.000 1.073 103 V CA -3.457 58.581 62.300 -0.436 0.000 0.956 103 V CB 3.494 35.019 31.823 -0.495 0.000 1.023 103 V HN 0.976 8.813 8.190 -0.589 0.000 0.435 104 T N -0.213 114.194 114.554 -0.245 0.000 2.847 104 T HA 0.456 4.856 4.350 -0.152 -0.141 0.291 104 T C -1.302 173.356 174.700 -0.070 0.000 0.998 104 T CA -1.937 60.080 62.100 -0.139 0.000 0.967 104 T CB 1.700 70.524 68.868 -0.074 0.000 0.954 104 T HN 0.598 8.732 8.240 -0.177 0.000 0.441 105 E N 6.452 126.640 120.200 -0.020 0.000 2.200 105 E HA 0.135 4.481 4.350 -0.007 0.000 0.283 105 E C -0.875 175.736 176.600 0.019 0.000 1.015 105 E CA -1.382 55.024 56.400 0.009 0.000 0.819 105 E CB 1.595 31.320 29.700 0.043 0.000 1.081 105 E HN 0.889 9.148 8.360 0.006 0.104 0.397 106 E N 6.547 126.761 120.200 0.023 0.000 2.683 106 E HA 0.476 4.843 4.350 0.027 0.000 0.224 106 E C -2.128 174.498 176.600 0.043 0.000 1.046 106 E CA -3.295 53.123 56.400 0.031 0.000 0.811 106 E CB 0.332 30.049 29.700 0.030 0.000 1.296 106 E HN -0.087 8.287 8.360 0.024 0.000 0.421 107 P HA 0.062 4.526 4.420 0.073 0.000 0.274 107 P C -1.292 176.039 177.300 0.052 0.000 1.256 107 P CA -0.512 62.620 63.100 0.054 0.000 0.795 107 P CB 0.632 32.358 31.700 0.043 0.000 1.038 108 T N -3.032 111.558 114.554 0.060 0.000 3.186 108 T HA 0.196 4.570 4.350 0.040 0.000 0.320 108 T C -0.285 174.443 174.700 0.047 0.000 0.955 108 T CA -1.183 60.946 62.100 0.049 0.000 1.030 108 T CB 0.971 69.868 68.868 0.048 0.000 1.013 108 T HN 0.048 8.332 8.240 0.073 0.000 0.454 109 S N 4.635 120.358 115.700 0.038 0.000 3.654 109 S HA -0.423 4.065 4.470 0.030 0.000 0.640 109 S C -1.340 173.285 174.600 0.042 0.000 2.223 109 S CA 0.168 58.389 58.200 0.035 0.000 2.391 109 S CB 0.599 63.818 63.200 0.032 0.000 0.328 109 S HN 0.451 8.781 8.310 0.034 0.000 1.790 110 N N -0.030 118.693 118.700 0.037 0.000 2.455 110 N HA 0.101 4.870 4.740 0.047 0.000 0.258 110 N C -0.989 174.549 175.510 0.046 0.000 1.158 110 N CA 0.044 53.119 53.050 0.041 0.000 0.893 110 N CB 0.087 38.593 38.487 0.033 0.000 1.173 110 N HN -0.005 8.394 8.380 0.032 0.000 0.503 111 D N 0.358 120.789 120.400 0.051 0.000 2.809 111 D HA 0.004 4.679 4.640 0.057 0.000 0.336 111 D C -1.754 174.579 176.300 0.055 0.000 1.367 111 D CA -0.263 53.767 54.000 0.050 0.000 0.815 111 D CB 2.097 42.918 40.800 0.035 0.000 1.381 111 D HN -0.708 7.596 8.370 0.053 0.098 0.471 112 K N -1.055 119.372 120.400 0.044 0.000 1.016 112 K HA -0.264 4.070 4.320 0.023 0.000 0.786 112 K C -0.997 175.639 176.600 0.060 0.000 1.947 112 K CA 0.938 57.248 56.287 0.038 0.000 1.330 112 K CB 0.233 32.752 32.500 0.032 0.000 2.468 112 K HN 0.492 8.764 8.250 0.037 0.000 0.366 113 T N -2.903 111.681 114.554 0.049 0.000 2.732 113 T HA -0.000 4.403 4.350 0.089 0.000 0.287 113 T C -0.311 174.465 174.700 0.128 0.000 0.993 113 T CA -0.069 62.078 62.100 0.078 0.000 0.966 113 T CB 1.008 69.896 68.868 0.033 0.000 1.047 113 T HN 0.065 8.322 8.240 0.028 0.000 0.527 114 R N -2.725 117.893 120.500 0.197 0.000 2.947 114 R HA 0.658 5.072 4.340 0.123 0.000 0.253 114 R C -1.136 175.264 176.300 0.166 0.000 1.208 114 R CA -1.522 54.684 56.100 0.178 0.000 1.012 114 R CB 4.119 34.543 30.300 0.207 0.000 1.267 114 R HN -0.349 8.070 8.270 0.248 0.000 0.473 115 V N -1.364 118.623 119.914 0.121 0.000 2.588 115 V HA 0.201 4.394 4.120 0.121 0.000 0.304 115 V C -2.351 173.793 176.094 0.082 0.000 1.042 115 V CA -0.459 61.901 62.300 0.100 0.000 0.877 115 V CB 2.833 34.696 31.823 0.066 0.000 0.996 115 V HN -0.131 8.120 8.190 0.101 0.000 0.425 116 L N 6.260 127.534 121.223 0.084 0.000 2.393 116 L HA 0.736 5.215 4.340 0.027 -0.122 0.260 116 L C -2.558 174.339 176.870 0.045 0.000 1.002 116 L CA -1.349 53.519 54.840 0.048 0.000 0.818 116 L CB 4.864 46.943 42.059 0.034 0.000 1.369 116 L HN 0.421 8.714 8.230 0.106 0.000 0.412 117 S N 2.238 117.947 115.700 0.016 0.000 2.532 117 S HA 0.436 4.943 4.470 0.061 0.000 0.299 117 S C -1.307 173.294 174.600 0.002 0.000 1.105 117 S CA -1.663 56.554 58.200 0.028 0.000 1.018 117 S CB 2.121 65.334 63.200 0.021 0.000 1.021 117 S HN 0.222 8.526 8.310 -0.011 0.000 0.483 118 I N -1.216 119.386 120.570 0.053 0.000 2.410 118 I HA 0.567 4.715 4.170 -0.036 0.000 0.286 118 I C -1.437 174.727 176.117 0.079 0.000 1.009 118 I CA -1.141 60.184 61.300 0.042 0.000 1.111 118 I CB 1.823 39.870 38.000 0.077 0.000 1.262 118 I HN -0.078 8.196 8.210 0.107 0.000 0.443 119 Q N 6.124 125.921 119.800 -0.004 0.000 2.307 119 Q HA 0.505 4.837 4.340 -0.014 0.000 0.262 119 Q C -1.166 174.798 176.000 -0.059 0.000 0.961 119 Q CA -1.519 54.266 55.803 -0.030 0.000 0.882 119 Q CB 2.376 31.083 28.738 -0.052 0.000 1.264 119 Q HN 0.397 8.636 8.270 -0.050 0.000 0.446 120 C N 6.270 125.517 119.300 -0.090 0.000 2.351 120 C HA 0.409 4.811 4.460 -0.097 0.000 0.326 120 C C -1.302 173.607 174.990 -0.135 0.000 1.272 120 C CA -1.783 57.166 59.018 -0.115 0.000 1.650 120 C CB 2.600 30.258 27.740 -0.138 0.000 2.257 120 C HN 0.260 8.421 8.230 -0.116 0.000 0.505 121 T N 8.457 122.945 114.554 -0.110 0.000 2.902 121 T HA 0.195 4.484 4.350 -0.102 0.000 0.280 121 T C 0.099 174.740 174.700 -0.099 0.000 0.992 121 T CA -0.479 61.562 62.100 -0.099 0.000 1.015 121 T CB 1.252 70.073 68.868 -0.078 0.000 1.044 121 T HN -0.003 8.175 8.240 -0.103 0.000 0.520 122 L N 1.325 122.495 121.223 -0.088 0.000 3.053 122 L HA 0.176 4.720 4.340 -0.094 -0.260 0.244 122 L C 0.882 177.715 176.870 -0.062 0.000 1.430 122 L CA 0.288 55.080 54.840 -0.080 0.000 1.143 122 L CB -2.585 39.432 42.059 -0.070 0.000 1.539 122 L HN 0.365 8.545 8.230 -0.083 0.000 0.442 123 T N 4.655 119.172 114.554 -0.062 0.000 2.685 123 T HA -0.364 3.961 4.350 -0.042 0.000 0.268 123 T C 0.783 175.461 174.700 -0.037 0.000 1.034 123 T CA 4.008 66.081 62.100 -0.046 0.000 1.149 123 T CB -0.316 68.525 68.868 -0.044 0.000 0.860 123 T HN 0.710 8.796 8.240 -0.074 0.110 0.449 124 E N -0.924 119.251 120.200 -0.041 0.000 2.609 124 E HA 0.118 4.452 4.350 -0.027 0.000 0.208 124 E C -1.690 174.886 176.600 -0.040 0.000 1.013 124 E CA -0.679 55.701 56.400 -0.034 0.000 1.093 124 E CB 0.172 29.855 29.700 -0.028 0.000 1.129 124 E HN 0.103 8.425 8.360 -0.052 0.006 0.450 125 A N -3.288 119.505 122.820 -0.045 0.000 3.256 125 A HA -0.269 4.023 4.320 -0.046 0.000 0.244 125 A C -1.927 175.620 177.584 -0.062 0.000 1.350 125 A CA 0.900 52.908 52.037 -0.048 0.000 0.831 125 A CB -0.921 18.057 19.000 -0.038 0.000 1.046 125 A HN -0.059 7.862 8.150 -0.046 0.202 0.602 126 K N -1.524 118.828 120.400 -0.080 0.000 2.615 126 K HA 0.136 4.394 4.320 -0.104 0.000 0.249 126 K C -1.808 174.709 176.600 -0.138 0.000 0.977 126 K CA -0.645 55.576 56.287 -0.110 0.000 0.833 126 K CB 2.037 34.464 32.500 -0.122 0.000 1.208 126 K HN -0.346 7.715 8.250 -0.076 0.143 0.443 127 Q N 4.918 124.631 119.800 -0.145 0.000 2.309 127 Q HA 0.438 4.857 4.340 -0.170 -0.182 0.270 127 Q C -2.008 173.873 176.000 -0.199 0.000 1.023 127 Q CA -1.215 54.494 55.803 -0.158 0.000 0.758 127 Q CB 2.246 30.916 28.738 -0.112 0.000 1.247 127 Q HN 0.196 8.387 8.270 -0.131 0.000 0.455 128 V N 5.559 125.309 119.914 -0.273 0.000 3.007 128 V HA 0.368 4.341 4.120 -0.245 0.000 0.311 128 V C -2.045 173.874 176.094 -0.293 0.000 1.120 128 V CA -2.315 59.784 62.300 -0.335 0.000 0.980 128 V CB 4.414 35.898 31.823 -0.564 0.000 1.033 128 V HN 0.523 8.545 8.190 -0.281 0.000 0.429 129 T N 8.391 122.822 114.554 -0.206 0.000 2.733 129 T HA 0.220 4.531 4.350 -0.066 0.000 0.294 129 T C -1.232 173.465 174.700 -0.006 0.000 0.956 129 T CA -0.279 61.770 62.100 -0.085 0.000 0.987 129 T CB -0.104 68.742 68.868 -0.036 0.000 0.920 129 T HN 0.084 8.207 8.240 -0.195 0.000 0.470 130 W N 5.920 127.193 121.300 -0.044 0.000 2.578 130 W HA 0.161 4.815 4.660 -0.011 0.000 0.346 130 W C -1.536 174.986 176.519 0.005 0.000 1.075 130 W CA -1.640 55.690 57.345 -0.025 0.000 1.233 130 W CB 2.791 32.217 29.460 -0.058 0.000 1.358 130 W HN 0.221 8.498 8.180 0.162 0.000 0.574 131 R N 0.935 121.622 120.500 0.312 0.000 2.476 131 R HA 0.332 4.754 4.340 0.137 0.000 0.305 131 R C -2.225 174.135 176.300 0.101 0.000 0.965 131 R CA -0.883 55.315 56.100 0.162 0.000 0.867 131 R CB 2.328 32.717 30.300 0.147 0.000 1.176 131 R HN 0.505 9.024 8.270 0.415 0.000 0.447 132 A N 4.645 127.519 122.820 0.091 0.000 2.393 132 A HA 0.606 5.058 4.320 0.132 -0.053 0.306 132 A C -2.785 174.893 177.584 0.158 0.000 1.050 132 A CA -1.506 50.599 52.037 0.113 0.000 0.724 132 A CB 3.730 22.774 19.000 0.074 0.000 1.248 132 A HN 0.428 8.633 8.150 0.093 0.000 0.424 133 V N -3.235 116.801 119.914 0.203 0.000 2.483 133 V HA 0.492 4.724 4.120 0.187 0.000 0.295 133 V C -1.580 174.718 176.094 0.340 0.000 1.035 133 V CA -2.415 60.005 62.300 0.200 0.000 0.896 133 V CB 2.220 34.084 31.823 0.068 0.000 0.986 133 V HN -0.164 8.170 8.190 0.240 0.000 0.447 134 W N 6.841 128.198 121.300 0.095 0.000 2.335 134 W HA 0.037 4.774 4.660 0.129 0.000 0.306 134 W C -2.111 174.485 176.519 0.127 0.000 1.216 134 W CA -0.690 56.721 57.345 0.109 0.000 1.237 134 W CB 1.353 30.856 29.460 0.072 0.000 1.243 134 W HN -0.187 8.227 8.180 0.391 0.000 0.493 135 N N 8.390 126.863 118.700 -0.378 0.000 2.569 135 N HA 0.189 4.809 4.740 -0.200 0.000 0.254 135 N C -0.518 174.672 175.510 -0.533 0.000 1.004 135 N CA -0.851 52.027 53.050 -0.286 0.000 0.904 135 N CB 1.742 40.263 38.487 0.057 0.000 1.165 135 N HN -0.295 7.799 8.380 -0.477 0.000 0.513 136 G N 5.981 114.485 108.800 -0.494 0.000 2.583 136 G HA2 -0.377 3.470 3.960 -0.188 0.000 0.292 136 G HA3 -0.377 3.460 3.960 -0.205 0.000 0.292 136 G C -0.686 173.889 174.900 -0.542 0.000 1.203 136 G CA 0.945 45.835 45.100 -0.350 0.000 0.987 136 G HN 0.251 8.321 8.290 -0.367 0.000 0.554 137 G N 2.004 110.631 108.800 -0.288 0.000 3.314 137 G HA2 0.049 4.039 3.960 0.051 0.000 0.238 137 G HA3 0.049 3.957 3.960 -0.087 0.000 0.238 137 G C -1.584 173.107 174.900 -0.349 0.000 1.184 137 G CA -0.560 44.432 45.100 -0.180 0.000 0.806 137 G HN 0.197 8.393 8.290 -0.156 0.000 0.536 138 G N -1.913 106.472 108.800 -0.692 0.000 2.574 138 G HA2 0.703 4.483 3.960 -0.299 0.000 0.299 138 G HA3 0.703 4.570 3.960 -0.255 -0.060 0.299 138 G C -2.985 171.487 174.900 -0.713 0.000 1.298 138 G CA -1.246 43.549 45.100 -0.508 0.000 0.952 138 G HN -0.637 7.041 8.290 -0.857 0.098 0.477 139 L N 0.216 121.330 121.223 -0.180 0.000 2.312 139 L HA 0.223 4.919 4.340 0.593 0.000 0.281 139 L C -2.182 174.616 176.870 -0.120 0.000 1.070 139 L CA -0.684 54.267 54.840 0.184 0.000 0.805 139 L CB 2.920 45.143 42.059 0.273 0.000 1.174 139 L HN -0.217 7.872 8.230 -0.235 0.000 0.434 140 Y N 5.829 126.200 120.300 0.118 0.000 2.393 140 Y HA 0.222 4.986 4.550 0.357 0.000 0.341 140 Y C -1.588 174.393 175.900 0.135 0.000 0.988 140 Y CA -1.257 56.994 58.100 0.251 0.000 1.078 140 Y CB 3.432 42.099 38.460 0.346 0.000 1.203 140 Y HN -0.206 8.333 8.280 0.431 0.000 0.453 141 I N 5.124 125.904 120.570 0.349 0.000 2.418 141 I HA 0.202 4.444 4.170 0.120 0.000 0.287 141 I C -2.381 173.923 176.117 0.311 0.000 1.008 141 I CA -0.832 60.573 61.300 0.176 0.000 1.104 141 I CB 2.120 40.080 38.000 -0.067 0.000 1.264 141 I HN 0.112 8.420 8.210 0.164 0.000 0.438 142 E N 7.628 127.976 120.200 0.245 0.000 2.191 142 E HA 0.399 4.942 4.350 0.322 0.000 0.263 142 E C -1.978 174.756 176.600 0.223 0.000 0.881 142 E CA -1.821 54.734 56.400 0.258 0.000 0.757 142 E CB 3.984 33.802 29.700 0.196 0.000 1.147 142 E HN -0.112 8.347 8.360 0.165 0.000 0.414 143 L N 7.116 128.505 121.223 0.277 0.000 2.288 143 L HA 0.425 4.978 4.340 0.354 0.000 0.283 143 L C -0.732 176.277 176.870 0.232 0.000 1.072 143 L CA -2.948 52.084 54.840 0.320 0.000 0.862 143 L CB -0.222 42.092 42.059 0.425 0.000 1.245 143 L HN -0.125 8.283 8.230 0.296 0.000 0.432 144 P HA -0.047 4.438 4.420 0.109 0.000 0.216 144 P C -0.794 176.575 177.300 0.114 0.000 1.153 144 P CA 1.025 64.200 63.100 0.126 0.000 0.844 144 P CB 0.536 32.297 31.700 0.102 0.000 0.787 145 A N -0.381 122.512 122.820 0.122 0.000 2.601 145 A HA 0.140 4.523 4.320 0.104 0.000 0.292 145 A C -1.319 176.313 177.584 0.080 0.000 1.284 145 A CA 0.238 52.331 52.037 0.094 0.000 0.893 145 A CB -0.272 18.766 19.000 0.064 0.000 1.440 145 A HN -0.293 7.943 8.150 0.143 0.000 0.510 146 G N 0.386 109.243 108.800 0.095 0.000 2.524 146 G HA2 0.335 4.295 3.960 -0.001 0.000 0.310 146 G HA3 0.335 4.307 3.960 0.020 0.000 0.310 146 G C -2.992 171.918 174.900 0.017 0.000 1.279 146 G CA -1.732 43.387 45.100 0.032 0.000 0.974 146 G HN -0.431 7.941 8.290 0.138 0.000 0.484 147 P HA -0.090 4.328 4.420 -0.003 0.000 0.250 147 P C -0.220 177.063 177.300 -0.028 0.000 1.198 147 P CA 0.033 63.113 63.100 -0.033 0.000 1.118 147 P CB -0.008 31.650 31.700 -0.070 0.000 1.208 148 L N 2.267 123.511 121.223 0.034 0.000 1.955 148 L HA -0.182 4.186 4.340 0.046 0.000 0.213 148 L C -0.796 176.084 176.870 0.017 0.000 1.072 148 L CA 2.766 57.638 54.840 0.055 0.000 0.755 148 L CB -2.837 39.306 42.059 0.141 0.000 0.888 148 L HN -0.214 8.051 8.230 0.058 0.000 0.432 149 P HA 0.027 4.534 4.420 0.020 -0.075 0.286 149 P C -0.405 176.888 177.300 -0.012 0.000 1.293 149 P CA -0.552 62.557 63.100 0.015 0.000 0.770 149 P CB 0.651 32.367 31.700 0.026 0.000 1.206 150 E N -4.775 115.418 120.200 -0.012 0.000 2.637 150 E HA -0.374 3.965 4.350 -0.019 0.000 0.265 150 E C -1.322 175.252 176.600 -0.043 0.000 1.073 150 E CA 0.888 57.273 56.400 -0.026 0.000 0.778 150 E CB -0.606 29.075 29.700 -0.031 0.000 1.362 150 E HN 0.467 8.826 8.360 -0.001 0.000 0.413 151 G N -4.820 103.959 108.800 -0.035 0.000 2.682 151 G HA2 0.216 4.138 3.960 -0.064 0.000 0.300 151 G HA3 0.216 4.136 3.960 -0.066 0.000 0.300 151 G C -1.675 173.216 174.900 -0.014 0.000 1.391 151 G CA -0.637 44.434 45.100 -0.047 0.000 0.990 151 G HN -0.402 7.853 8.290 -0.019 0.024 0.501 152 S N 0.781 116.473 115.700 -0.014 0.000 2.655 152 S HA 0.179 4.651 4.470 0.002 0.000 0.265 152 S C 0.732 175.360 174.600 0.046 0.000 1.240 152 S CA -0.321 57.882 58.200 0.005 0.000 0.986 152 S CB 1.422 64.618 63.200 -0.007 0.000 0.985 152 S HN 0.081 8.371 8.310 -0.033 0.000 0.562 153 K N -0.362 120.058 120.400 0.033 0.000 2.276 153 K HA -0.032 4.376 4.320 0.147 0.000 0.198 153 K C 1.306 177.925 176.600 0.032 0.000 1.052 153 K CA 1.779 58.097 56.287 0.052 0.000 0.984 153 K CB 0.344 32.828 32.500 -0.027 0.000 0.836 153 K HN 0.353 8.605 8.250 0.003 0.000 0.490 154 D N -2.710 117.685 120.400 -0.008 0.000 2.182 154 D HA -0.348 4.255 4.640 -0.062 0.000 0.201 154 D C 1.458 177.786 176.300 0.046 0.000 0.986 154 D CA 3.081 57.072 54.000 -0.015 0.000 0.847 154 D CB -0.455 40.332 40.800 -0.022 0.000 0.942 154 D HN 0.486 8.847 8.370 -0.015 0.000 0.467 155 S N -0.842 114.897 115.700 0.065 0.000 2.368 155 S HA -0.281 4.225 4.470 0.059 0.000 0.225 155 S C 1.624 176.327 174.600 0.172 0.000 1.030 155 S CA 3.547 61.792 58.200 0.075 0.000 0.999 155 S CB -0.644 62.562 63.200 0.010 0.000 0.844 155 S HN 0.023 8.343 8.310 0.049 0.019 0.459 156 F N 4.071 124.089 119.950 0.113 0.000 2.102 156 F HA -0.272 4.471 4.527 0.360 0.000 0.298 156 F C 1.192 177.064 175.800 0.120 0.000 1.105 156 F CA 1.652 59.781 58.000 0.216 0.000 1.239 156 F CB -0.332 38.819 39.000 0.251 0.000 0.991 156 F HN -0.948 7.457 8.300 0.312 0.081 0.474 157 A N -1.853 121.108 122.820 0.236 0.000 1.940 157 A HA -0.415 3.901 4.320 -0.007 0.000 0.219 157 A C 1.763 179.438 177.584 0.152 0.000 1.176 157 A CA 2.967 55.042 52.037 0.065 0.000 0.631 157 A CB -1.098 17.853 19.000 -0.082 0.000 0.814 157 A HN -0.278 7.976 8.150 0.173 0.000 0.446 158 A N -1.046 121.875 122.820 0.168 0.000 1.858 158 A HA -0.359 4.071 4.320 0.183 0.000 0.216 158 A C 1.820 179.570 177.584 0.277 0.000 1.190 158 A CA 2.992 55.150 52.037 0.201 0.000 0.617 158 A CB -0.533 18.568 19.000 0.170 0.000 0.827 158 A HN -0.512 7.630 8.150 0.154 0.101 0.443 159 L N -2.108 119.267 121.223 0.254 0.000 2.127 159 L HA -0.310 4.165 4.340 0.226 0.000 0.211 159 L C 2.075 179.107 176.870 0.269 0.000 1.089 159 L CA 3.306 58.294 54.840 0.246 0.000 0.757 159 L CB -0.204 41.986 42.059 0.218 0.000 0.899 159 L HN -0.471 7.900 8.230 0.235 0.000 0.434 160 L N -1.183 120.213 121.223 0.288 0.000 2.109 160 L HA -0.356 4.131 4.340 0.245 0.000 0.207 160 L C 1.743 178.727 176.870 0.191 0.000 1.086 160 L CA 3.439 58.433 54.840 0.256 0.000 0.760 160 L CB -0.265 41.968 42.059 0.289 0.000 0.910 160 L HN -0.402 7.895 8.230 0.314 0.121 0.437 161 E N -0.296 120.010 120.200 0.175 0.000 2.072 161 E HA -0.291 4.098 4.350 0.066 0.000 0.191 161 E C 2.487 179.126 176.600 0.064 0.000 0.985 161 E CA 3.364 59.819 56.400 0.091 0.000 0.801 161 E CB -0.166 29.564 29.700 0.050 0.000 0.750 161 E HN -0.534 7.847 8.360 0.200 0.099 0.452 162 F N -0.026 119.962 119.950 0.064 0.000 2.075 162 F HA -0.334 4.220 4.527 0.046 0.000 0.297 162 F C 1.740 177.570 175.800 0.050 0.000 1.113 162 F CA 4.281 62.315 58.000 0.055 0.000 1.218 162 F CB 0.063 39.100 39.000 0.063 0.000 0.984 162 F HN -0.452 8.081 8.300 0.390 0.000 0.472 163 A N -2.039 120.939 122.820 0.263 0.000 1.917 163 A HA -0.418 3.990 4.320 0.147 0.000 0.219 163 A C 1.643 179.280 177.584 0.089 0.000 1.182 163 A CA 3.228 55.355 52.037 0.150 0.000 0.633 163 A CB -0.917 18.156 19.000 0.122 0.000 0.819 163 A HN -0.268 8.059 8.150 0.294 0.000 0.448 164 E N -1.708 118.545 120.200 0.087 0.000 2.153 164 E HA -0.383 4.000 4.350 0.056 0.000 0.194 164 E C 1.664 178.277 176.600 0.021 0.000 0.988 164 E CA 2.961 59.393 56.400 0.053 0.000 0.811 164 E CB -0.085 29.648 29.700 0.054 0.000 0.746 164 E HN -0.516 7.906 8.360 0.113 0.006 0.466 165 E N -0.877 119.326 120.200 0.006 0.000 2.007 165 E HA -0.411 3.916 4.350 -0.038 0.000 0.194 165 E C 2.356 178.948 176.600 -0.014 0.000 0.999 165 E CA 3.312 59.694 56.400 -0.031 0.000 0.811 165 E CB -0.174 29.466 29.700 -0.099 0.000 0.762 165 E HN -0.653 7.600 8.360 0.020 0.119 0.450 166 Q N -0.828 118.980 119.800 0.013 0.000 1.975 166 Q HA -0.269 4.060 4.340 -0.017 0.000 0.205 166 Q C 2.667 178.644 176.000 -0.039 0.000 0.990 166 Q CA 2.958 58.759 55.803 -0.004 0.000 0.845 166 Q CB -0.068 28.691 28.738 0.035 0.000 0.913 166 Q HN -0.633 7.668 8.270 0.051 0.000 0.420 167 L N -4.938 116.249 121.223 -0.060 0.000 2.187 167 L HA -0.259 3.979 4.340 -0.169 0.000 0.213 167 L C 0.106 176.965 176.870 -0.019 0.000 1.100 167 L CA 1.171 55.944 54.840 -0.112 0.000 0.765 167 L CB 0.232 42.172 42.059 -0.198 0.000 0.904 167 L HN -0.377 7.831 8.230 -0.037 0.000 0.437 168 R N -6.671 113.829 120.500 -0.001 0.000 3.951 168 R HA -0.341 4.104 4.340 0.001 -0.105 0.352 168 R C -0.753 175.561 176.300 0.024 0.000 1.178 168 R CA 0.648 56.753 56.100 0.008 0.000 0.949 168 R CB -1.907 28.395 30.300 0.002 0.000 1.452 168 R HN -0.355 7.701 8.270 -0.004 0.211 0.540 169 A N -2.838 120.016 122.820 0.056 0.000 2.301 169 A HA -0.041 4.274 4.320 -0.008 0.000 0.287 169 A C -1.421 176.151 177.584 -0.019 0.000 1.274 169 A CA -0.594 51.468 52.037 0.041 0.000 0.865 169 A CB 1.477 20.608 19.000 0.219 0.000 1.324 169 A HN -0.582 7.553 8.150 0.067 0.055 0.508 170 D N -2.244 118.093 120.400 -0.104 0.000 2.315 170 D HA 0.088 4.739 4.640 0.018 0.000 0.272 170 D C -0.483 175.804 176.300 -0.020 0.000 1.238 170 D CA 1.028 55.012 54.000 -0.027 0.000 1.160 170 D CB 2.757 43.574 40.800 0.028 0.000 1.780 170 D HN 0.238 8.471 8.370 -0.229 0.000 0.484 171 H N 2.483 121.463 119.070 -0.149 0.000 3.643 171 H HA -0.104 4.510 4.556 -0.232 -0.197 0.219 171 H C -0.789 173.980 175.328 -0.931 0.000 1.120 171 H CA 0.020 55.866 56.048 -0.337 0.000 1.448 171 H CB -1.436 28.249 29.762 -0.128 0.000 1.639 171 H HN 0.018 8.047 8.280 -0.419 0.000 0.574 172 V N 2.465 121.847 119.914 -0.887 0.000 2.435 172 V HA 0.435 4.067 4.120 -1.170 -0.215 0.290 172 V C -0.992 173.989 176.094 -1.854 0.000 1.030 172 V CA -2.313 59.279 62.300 -1.180 0.000 0.881 172 V CB 1.364 32.918 31.823 -0.448 0.000 0.983 172 V HN -0.211 7.617 8.190 -0.593 0.005 0.445 173 F N 5.106 124.528 119.950 -0.880 0.000 2.532 173 F HA 0.697 4.600 4.527 -1.273 -0.140 0.321 173 F C -0.660 174.756 175.800 -0.640 0.000 1.089 173 F CA -2.478 54.923 58.000 -0.997 0.000 0.926 173 F CB 3.238 41.603 39.000 -1.059 0.000 1.168 173 F HN -0.008 7.510 8.300 -1.303 0.000 0.459 174 I N -4.847 115.493 120.570 -0.383 0.000 2.439 174 I HA 0.491 4.618 4.170 -0.072 0.000 0.285 174 I C -1.747 174.347 176.117 -0.038 0.000 1.021 174 I CA -1.293 59.900 61.300 -0.179 0.000 1.091 174 I CB 2.479 40.277 38.000 -0.336 0.000 1.242 174 I HN 0.192 8.112 8.210 -0.484 0.000 0.439 175 C N 8.200 127.615 119.300 0.190 0.000 2.364 175 C HA 0.980 5.777 4.460 0.176 -0.232 0.324 175 C C -2.011 173.214 174.990 0.392 0.000 1.234 175 C CA -2.622 56.564 59.018 0.281 0.000 1.417 175 C CB 2.326 30.316 27.740 0.417 0.000 2.101 175 C HN 0.103 8.461 8.230 0.213 0.000 0.466 176 F N 5.093 125.131 119.950 0.146 0.000 2.613 176 F HA 0.680 5.316 4.527 0.182 0.000 0.314 176 F C -2.596 173.284 175.800 0.132 0.000 1.075 176 F CA -3.535 54.563 58.000 0.164 0.000 0.945 176 F CB 0.723 39.842 39.000 0.197 0.000 1.310 176 F HN 0.137 8.367 8.300 -0.116 0.000 0.467 177 P HA 0.022 4.576 4.420 -0.012 -0.141 0.296 177 P C -0.692 176.619 177.300 0.018 0.000 1.295 177 P CA -0.255 62.877 63.100 0.053 0.000 0.754 177 P CB 1.300 33.072 31.700 0.120 0.000 1.311 178 K N 0.164 120.587 120.400 0.039 0.000 2.679 178 K HA 0.122 4.501 4.320 0.098 0.000 0.188 178 K C -0.572 176.080 176.600 0.087 0.000 1.055 178 K CA -0.645 55.676 56.287 0.056 0.000 1.006 178 K CB -0.294 32.208 32.500 0.003 0.000 1.317 178 K HN 0.147 8.421 8.250 0.040 0.000 0.584 179 N N 2.631 121.408 118.700 0.127 0.000 2.025 179 N HA -0.177 4.611 4.740 0.080 0.000 0.194 179 N C -0.279 175.279 175.510 0.080 0.000 1.069 179 N CA 1.745 54.854 53.050 0.099 0.000 0.855 179 N CB 0.442 38.994 38.487 0.108 0.000 1.054 179 N HN 0.165 8.655 8.380 0.183 0.000 0.427 180 R N -2.571 117.983 120.500 0.089 0.000 3.321 180 R HA 0.093 4.474 4.340 0.068 0.000 0.285 180 R C -1.822 174.523 176.300 0.076 0.000 1.149 180 R CA -0.347 55.795 56.100 0.071 0.000 1.191 180 R CB 0.105 30.437 30.300 0.052 0.000 1.276 180 R HN -0.536 7.800 8.270 0.110 0.000 0.429 181 E N 3.674 123.923 120.200 0.080 0.000 4.156 181 E HA -0.332 4.066 4.350 0.080 0.000 0.158 181 E C -2.019 174.636 176.600 0.093 0.000 1.861 181 E CA 0.526 56.973 56.400 0.078 0.000 0.926 181 E CB -0.694 29.039 29.700 0.055 0.000 1.062 181 E HN 0.437 8.845 8.360 0.079 0.000 0.347 182 D N 0.509 120.986 120.400 0.127 0.000 1.367 182 D HA -0.052 4.643 4.640 0.092 0.000 0.758 182 D C 0.325 176.741 176.300 0.194 0.000 0.713 182 D CA 1.276 55.357 54.000 0.135 0.000 1.249 182 D CB 0.379 41.265 40.800 0.143 0.000 1.531 182 D HN -0.119 8.334 8.370 0.138 0.000 0.449 183 R N 1.406 122.102 120.500 0.327 0.000 2.152 183 R HA -0.136 4.610 4.340 0.676 0.000 0.232 183 R C 1.700 178.159 176.300 0.264 0.000 1.117 183 R CA 2.283 58.658 56.100 0.459 0.000 0.981 183 R CB -1.085 29.438 30.300 0.372 0.000 0.870 183 R HN 0.162 8.615 8.270 0.306 0.000 0.451 184 A N 0.707 123.631 122.820 0.173 0.000 1.834 184 A HA -0.208 4.187 4.320 0.124 0.000 0.216 184 A C 2.143 179.798 177.584 0.118 0.000 1.203 184 A CA 2.794 54.906 52.037 0.126 0.000 0.621 184 A CB -1.120 17.934 19.000 0.091 0.000 0.841 184 A HN 0.259 8.482 8.150 0.163 0.024 0.446 185 A N -1.836 121.042 122.820 0.096 0.000 1.972 185 A HA -0.140 4.218 4.320 0.063 0.000 0.219 185 A C 2.297 179.931 177.584 0.084 0.000 1.169 185 A CA 2.549 54.629 52.037 0.072 0.000 0.635 185 A CB -1.050 17.979 19.000 0.049 0.000 0.810 185 A HN 0.057 8.263 8.150 0.093 0.000 0.446 186 L N -1.015 120.272 121.223 0.107 0.000 2.012 186 L HA -0.263 4.117 4.340 0.067 0.000 0.210 186 L C 2.235 179.209 176.870 0.172 0.000 1.073 186 L CA 2.908 57.808 54.840 0.101 0.000 0.748 186 L CB -1.006 41.090 42.059 0.063 0.000 0.891 186 L HN -0.443 7.758 8.230 0.122 0.102 0.431 187 L N -2.809 118.550 121.223 0.226 0.000 2.217 187 L HA -0.342 4.280 4.340 0.470 0.000 0.211 187 L C 2.413 179.452 176.870 0.282 0.000 1.107 187 L CA 3.148 58.196 54.840 0.347 0.000 0.783 187 L CB -0.420 41.838 42.059 0.332 0.000 0.919 187 L HN -0.392 7.967 8.230 0.216 0.000 0.442 188 R N -0.640 119.960 120.500 0.167 0.000 2.091 188 R HA -0.312 4.091 4.340 0.104 0.000 0.238 188 R C 1.804 178.160 176.300 0.092 0.000 1.136 188 R CA 3.537 59.702 56.100 0.108 0.000 0.959 188 R CB 0.001 30.340 30.300 0.065 0.000 0.856 188 R HN -0.351 7.895 8.270 0.148 0.113 0.437 189 T N -1.712 112.874 114.554 0.054 0.000 2.781 189 T HA -0.123 4.145 4.350 -0.137 0.000 0.252 189 T C 1.737 176.408 174.700 -0.047 0.000 1.039 189 T CA 2.489 64.525 62.100 -0.106 0.000 1.147 189 T CB 0.154 68.889 68.868 -0.221 0.000 0.865 189 T HN -0.435 7.842 8.240 0.073 0.007 0.423 190 F N 2.976 122.924 119.950 -0.004 0.000 2.236 190 F HA -0.309 4.349 4.527 0.219 0.000 0.302 190 F C 2.033 178.166 175.800 0.555 0.000 1.073 190 F CA 3.191 61.282 58.000 0.152 0.000 1.336 190 F CB -0.368 38.478 39.000 -0.258 0.000 1.040 190 F HN -0.236 8.185 8.300 0.201 0.000 0.507 191 S N 0.325 116.444 115.700 0.698 0.000 2.440 191 S HA -0.382 4.304 4.470 0.360 0.000 0.238 191 S C 2.030 176.837 174.600 0.346 0.000 1.010 191 S CA 2.630 61.085 58.200 0.425 0.000 0.972 191 S CB -0.376 62.931 63.200 0.178 0.000 0.774 191 S HN -0.093 8.489 8.310 0.521 0.041 0.501 192 F N -0.477 119.518 119.950 0.076 0.000 2.307 192 F HA -0.178 4.355 4.527 0.011 0.000 0.301 192 F C 0.396 176.208 175.800 0.019 0.000 1.076 192 F CA 1.033 59.043 58.000 0.016 0.000 1.383 192 F CB -0.514 38.472 39.000 -0.023 0.000 1.055 192 F HN 0.174 8.727 8.300 0.708 0.171 0.526 193 L N -0.368 120.642 121.223 -0.355 0.000 2.049 193 L HA -0.008 3.880 4.340 -0.753 0.000 0.203 193 L C 0.580 177.381 176.870 -0.115 0.000 1.074 193 L CA 1.129 55.692 54.840 -0.461 0.000 0.749 193 L CB 1.310 43.190 42.059 -0.297 0.000 0.907 193 L HN -0.232 7.973 8.230 0.224 0.159 0.439 194 G N -2.422 106.403 108.800 0.042 0.000 2.462 194 G HA2 -0.278 3.646 3.960 -0.061 0.000 0.124 194 G HA3 -0.278 3.880 3.960 -0.015 -0.206 0.124 194 G C -0.893 174.040 174.900 0.055 0.000 1.062 194 G CA -0.694 44.406 45.100 -0.001 0.000 0.764 194 G HN -0.533 7.867 8.290 0.184 0.000 0.485 195 F N -2.396 117.547 119.950 -0.012 0.000 0.000 195 F HA 0.221 4.820 4.527 0.119 0.000 0.000 195 F C -1.462 174.362 175.800 0.041 0.000 0.000 195 F CA -2.110 55.915 58.000 0.042 0.000 0.000 195 F CB 1.185 40.149 39.000 -0.059 0.000 0.000 195 F HN -0.811 7.612 8.300 0.204 0.000 0.000 196 E N -0.926 119.371 120.200 0.163 0.000 2.222 196 E HA 0.425 4.664 4.350 -0.184 0.000 0.267 196 E C -1.170 175.524 176.600 0.157 0.000 0.884 196 E CA -1.854 54.554 56.400 0.013 0.000 0.764 196 E CB 2.247 31.987 29.700 0.067 0.000 1.169 196 E HN -0.129 8.510 8.360 0.464 0.000 0.413 197 I N -0.885 119.710 120.570 0.041 0.000 2.342 197 I HA 0.422 4.742 4.170 0.249 0.000 0.291 197 I C -0.831 175.363 176.117 0.129 0.000 1.010 197 I CA -0.817 60.565 61.300 0.137 0.000 1.308 197 I CB 0.369 38.417 38.000 0.080 0.000 1.400 197 I HN 0.282 8.449 8.210 -0.071 0.000 0.488 198 V N 6.862 126.894 119.914 0.196 0.000 3.159 198 V HA 0.392 4.586 4.120 0.124 0.000 0.308 198 V C -1.940 174.283 176.094 0.215 0.000 1.190 198 V CA -1.800 60.623 62.300 0.204 0.000 1.037 198 V CB 4.751 36.736 31.823 0.270 0.000 1.060 198 V HN 0.574 8.897 8.190 0.222 0.000 0.437 199 R N 0.752 121.321 120.500 0.116 0.000 2.711 199 R HA 0.553 4.957 4.340 0.106 0.000 0.284 199 R C -2.027 174.277 176.300 0.005 0.000 0.968 199 R CA -3.139 53.004 56.100 0.071 0.000 0.924 199 R CB 1.323 31.643 30.300 0.034 0.000 1.162 199 R HN 0.068 8.386 8.270 0.080 0.000 0.465 200 P HA 0.057 4.378 4.420 -0.165 0.000 0.272 200 P C -1.463 175.814 177.300 -0.039 0.000 1.223 200 P CA -0.561 62.496 63.100 -0.072 0.000 0.784 200 P CB 1.199 32.877 31.700 -0.036 0.000 0.923 201 G N -0.679 108.094 108.800 -0.045 0.000 2.824 201 G HA2 0.104 4.201 3.960 0.003 0.000 0.288 201 G HA3 0.104 4.041 3.960 -0.039 0.000 0.288 201 G C -1.696 173.204 174.900 0.001 0.000 1.554 201 G CA 0.002 45.091 45.100 -0.018 0.000 1.107 201 G HN -0.025 8.218 8.290 -0.079 0.000 0.566 202 H N 6.146 125.181 119.070 -0.058 0.000 2.511 202 H HA 0.156 4.674 4.556 -0.064 0.000 0.346 202 H C -1.365 173.937 175.328 -0.043 0.000 1.128 202 H CA -2.373 53.643 56.048 -0.054 0.000 1.342 202 H CB 2.440 32.175 29.762 -0.046 0.000 1.470 202 H HN -0.463 7.896 8.280 0.131 0.000 0.546 203 P HA -0.189 4.164 4.420 -0.111 0.000 0.218 203 P C -0.780 176.510 177.300 -0.017 0.000 1.146 203 P CA 1.788 64.799 63.100 -0.148 0.000 0.813 203 P CB 0.404 31.971 31.700 -0.222 0.000 0.778 204 L N -6.034 115.253 121.223 0.107 0.000 2.189 204 L HA 0.112 4.485 4.340 0.056 0.000 0.199 204 L C 0.262 177.183 176.870 0.085 0.000 1.074 204 L CA 1.103 56.011 54.840 0.112 0.000 0.783 204 L CB 1.385 43.540 42.059 0.160 0.000 0.955 204 L HN -0.832 7.504 8.230 0.237 0.036 0.460 205 V N -1.649 118.336 119.914 0.118 0.000 2.266 205 V HA 0.388 4.530 4.120 0.037 0.000 0.266 205 V C -1.913 174.220 176.094 0.065 0.000 1.036 205 V CA -3.501 58.833 62.300 0.058 0.000 0.828 205 V CB 1.203 33.035 31.823 0.016 0.000 1.081 205 V HN -0.284 8.039 8.190 0.221 0.000 0.449 206 P HA -0.073 4.408 4.420 0.032 -0.042 0.212 206 P C -0.753 176.557 177.300 0.017 0.000 1.178 206 P CA 1.808 64.924 63.100 0.026 0.000 0.915 206 P CB 0.347 32.051 31.700 0.006 0.000 0.788 207 K N -3.962 116.444 120.400 0.010 0.000 2.471 207 K HA 0.279 4.602 4.320 0.005 0.000 0.252 207 K C -0.714 175.888 176.600 0.004 0.000 0.938 207 K CA -0.796 55.494 56.287 0.005 0.000 0.796 207 K CB 1.784 34.285 32.500 0.003 0.000 1.161 207 K HN -0.029 8.227 8.250 0.010 0.000 0.425 208 R N 2.876 123.377 120.500 0.001 0.000 2.380 208 R HA 0.091 4.432 4.340 0.001 0.000 0.030 208 R C -1.421 174.878 176.300 -0.002 0.000 0.818 208 R CA 1.097 57.197 56.100 0.000 0.000 3.287 208 R CB -0.746 29.554 30.300 -0.000 0.000 0.949 208 R HN 0.227 8.498 8.270 0.000 0.000 0.552 209 P HA -0.118 4.299 4.420 -0.004 0.000 0.220 209 P C -1.217 176.082 177.300 -0.002 0.000 1.144 209 P CA 0.551 63.648 63.100 -0.005 0.000 0.800 209 P CB -0.091 31.602 31.700 -0.012 0.000 0.772 210 D N -3.580 116.817 120.400 -0.005 0.000 2.990 210 D HA -0.319 4.313 4.640 -0.015 0.000 0.245 210 D C -1.990 174.292 176.300 -0.029 0.000 1.120 210 D CA 0.932 54.924 54.000 -0.013 0.000 0.838 210 D CB -0.411 40.386 40.800 -0.006 0.000 1.000 210 D HN 0.064 8.384 8.370 -0.005 0.047 0.420 211 A N -1.097 121.703 122.820 -0.032 0.000 2.332 211 A HA 0.343 4.714 4.320 -0.098 -0.110 0.300 211 A C -1.013 176.530 177.584 -0.069 0.000 1.153 211 A CA -1.341 50.665 52.037 -0.052 0.000 0.764 211 A CB 2.757 21.763 19.000 0.010 0.000 1.174 211 A HN -0.180 7.959 8.150 -0.018 0.000 0.467 212 C N 4.351 123.516 119.300 -0.225 0.000 2.464 212 C HA -0.001 4.416 4.460 -0.072 0.000 0.370 212 C C -1.402 173.537 174.990 -0.084 0.000 1.267 212 C CA 1.581 60.472 59.018 -0.212 0.000 1.781 212 C CB -0.110 27.364 27.740 -0.442 0.000 2.431 212 C HN 0.112 8.118 8.230 -0.373 0.000 0.556 213 F N 8.175 128.080 119.950 -0.075 0.000 2.469 213 F HA 0.340 4.863 4.527 -0.008 0.000 0.332 213 F C -2.765 173.054 175.800 0.031 0.000 1.103 213 F CA -1.680 56.310 58.000 -0.016 0.000 0.979 213 F CB 3.843 42.841 39.000 -0.004 0.000 1.137 213 F HN 0.107 8.520 8.300 0.188 0.000 0.463 214 M N 6.594 125.688 119.600 -0.843 0.000 2.395 214 M HA 0.568 5.103 4.480 -0.146 -0.143 0.307 214 M C -2.011 173.853 176.300 -0.726 0.000 1.091 214 M CA -1.212 53.795 55.300 -0.488 0.000 0.919 214 M CB 3.651 36.054 32.600 -0.328 0.000 1.662 214 M HN 0.011 7.707 8.290 -0.991 0.000 0.440 215 V N 2.910 122.709 119.914 -0.191 0.000 2.531 215 V HA 0.478 4.506 4.120 -0.153 0.000 0.301 215 V C -2.749 173.520 176.094 0.292 0.000 1.034 215 V CA -1.966 60.317 62.300 -0.028 0.000 0.865 215 V CB 2.546 34.408 31.823 0.065 0.000 0.995 215 V HN 0.096 8.338 8.190 0.087 0.000 0.424 216 Y N 3.212 123.586 120.300 0.125 0.000 2.576 216 Y HA 0.508 5.142 4.550 0.139 0.000 0.346 216 Y C -1.850 174.108 175.900 0.097 0.000 1.018 216 Y CA -3.157 55.014 58.100 0.119 0.000 1.050 216 Y CB 2.182 40.722 38.460 0.133 0.000 1.280 216 Y HN 0.093 8.004 8.280 -0.615 0.000 0.474 217 T N -3.508 111.181 114.554 0.225 0.000 2.716 217 T HA 0.178 4.801 4.350 0.318 -0.081 0.286 217 T C -0.606 174.226 174.700 0.220 0.000 1.052 217 T CA -2.414 59.826 62.100 0.233 0.000 1.024 217 T CB 2.855 71.749 68.868 0.043 0.000 1.349 217 T HN 0.024 8.415 8.240 0.252 0.000 0.525 218 L N -3.085 118.283 121.223 0.242 0.000 2.891 218 L HA -0.153 4.489 4.340 0.109 -0.237 0.290 218 L C 0.188 177.115 176.870 0.094 0.000 1.093 218 L CA 0.584 55.505 54.840 0.136 0.000 1.108 218 L CB -2.164 39.965 42.059 0.117 0.000 1.488 218 L HN 0.355 8.822 8.230 0.396 0.000 0.447 219 E N 0.000 120.243 120.200 0.072 0.000 2.725 219 E HA 0.000 4.377 4.350 0.045 0.000 0.291 219 E CA 0.000 56.423 56.400 0.038 0.000 0.976 219 E CB 0.000 29.712 29.700 0.020 0.000 0.812 219 E HN 0.000 8.406 8.360 0.076 0.000 0.440