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 1msd_1_B DATA FIRST_RESID 1 DATA SEQUENCE KHSLPDLPYD YGALEPHINA QIMQLHHSKH HAAYVNNLNV TEEKYQEALA DATA SEQUENCE KGDVTAQIAL QPALKFNGGG HINHSIFWTN LSPNGGGEPK GELLEAIKRD DATA SEQUENCE FGSFDKFKEK LTAASVGVQG SGWGWLGFNK ERGHLQIAAC PNQDPLQGTT DATA SEQUENCE GLIPLLGIDV WEHAYYLQYK NVRPDYLKAI WNVINWENVT ERYMACKK 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 1 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1 K C 0.000 176.443 176.600 -0.261 0.000 0.988 1 K CA 0.000 56.194 56.287 -0.156 0.000 0.838 1 K CB 0.000 32.458 32.500 -0.070 0.000 1.064 2 H N -0.212 118.825 119.070 -0.054 0.000 2.572 2 H HA 0.499 5.058 4.556 0.005 0.000 0.359 2 H C -0.945 174.343 175.328 -0.066 0.000 1.134 2 H CA -0.455 55.537 56.048 -0.094 0.000 1.187 2 H CB 2.208 31.823 29.762 -0.244 0.000 1.597 2 H HN 0.370 8.650 8.280 -0.000 0.000 0.524 3 S N 1.719 117.489 115.700 0.116 0.000 2.568 3 S HA 0.291 4.764 4.470 0.005 0.000 0.293 3 S C -0.756 173.913 174.600 0.115 0.000 1.089 3 S CA -0.853 57.395 58.200 0.079 0.000 0.945 3 S CB 1.382 64.614 63.200 0.053 0.000 1.077 3 S HN 0.418 8.728 8.310 -0.000 0.000 0.485 4 L N 4.874 126.101 121.223 0.006 0.000 2.433 4 L HA 0.251 4.594 4.340 0.005 0.000 0.275 4 L C -1.782 175.065 176.870 -0.038 0.000 1.128 4 L CA -1.422 53.342 54.840 -0.127 0.000 0.875 4 L CB 0.576 42.482 42.059 -0.256 0.000 1.171 4 L HN 0.447 8.677 8.230 -0.000 0.000 0.463 5 P HA 0.011 4.431 4.420 -0.000 0.000 0.265 5 P C -1.129 176.290 177.300 0.200 0.000 1.187 5 P CA -0.253 62.947 63.100 0.167 0.000 0.766 5 P CB 0.516 32.401 31.700 0.307 0.000 0.820 6 D N 1.998 122.473 120.400 0.125 0.000 2.345 6 D HA 0.234 4.877 4.640 0.005 0.000 0.247 6 D C 0.553 176.791 176.300 -0.103 0.000 1.108 6 D CA -0.275 53.782 54.000 0.095 0.000 0.894 6 D CB 0.266 41.056 40.800 -0.016 0.000 1.203 6 D HN 0.299 8.669 8.370 -0.000 0.000 0.430 7 L N -0.637 120.257 121.223 -0.548 0.000 2.395 7 L HA 0.494 4.837 4.340 0.005 0.000 0.269 7 L C -1.959 174.463 176.870 -0.746 0.000 1.133 7 L CA -1.736 52.630 54.840 -0.790 0.000 0.812 7 L CB 0.803 42.062 42.059 -1.334 0.000 1.125 7 L HN 0.117 8.347 8.230 -0.000 0.000 0.452 8 P HA 0.152 4.572 4.420 -0.000 0.000 0.255 8 P C -1.490 175.639 177.300 -0.286 0.000 1.301 8 P CA 0.404 63.238 63.100 -0.444 0.000 0.817 8 P CB -0.201 31.373 31.700 -0.209 0.000 1.259 9 Y N -4.579 115.667 120.300 -0.091 0.000 2.604 9 Y HA 0.495 5.049 4.550 0.006 0.000 0.331 9 Y C -0.567 175.243 175.900 -0.150 0.000 1.158 9 Y CA -1.926 56.123 58.100 -0.086 0.000 1.056 9 Y CB 0.101 38.535 38.460 -0.043 0.000 1.330 9 Y HN -0.351 7.929 8.280 -0.000 0.000 0.457 10 D N 0.749 121.168 120.400 0.032 0.000 2.368 10 D HA 0.020 4.662 4.640 0.005 0.000 0.240 10 D C 0.735 177.107 176.300 0.119 0.000 1.169 10 D CA 0.366 54.299 54.000 -0.112 0.000 0.906 10 D CB 0.582 41.316 40.800 -0.110 0.000 1.187 10 D HN 0.664 9.034 8.370 -0.000 0.000 0.435 11 Y N 1.035 121.360 120.300 0.043 0.000 2.062 11 Y HA -0.268 4.285 4.550 0.005 0.000 0.273 11 Y C 2.445 178.381 175.900 0.060 0.000 1.206 11 Y CA 1.393 59.527 58.100 0.056 0.000 1.125 11 Y CB -1.451 37.023 38.460 0.023 0.000 0.951 11 Y HN 0.572 8.852 8.280 -0.000 0.000 0.501 12 G N -0.391 108.541 108.800 0.221 0.000 2.513 12 G HA2 -0.271 3.692 3.960 0.005 0.000 0.219 12 G HA3 -0.271 3.692 3.960 0.005 0.000 0.219 12 G C 1.880 176.820 174.900 0.068 0.000 1.160 12 G CA 1.678 46.843 45.100 0.110 0.000 0.767 12 G HN 0.569 8.859 8.290 -0.000 0.000 0.571 13 A N -0.189 122.673 122.820 0.069 0.000 2.272 13 A HA 0.185 4.508 4.320 0.005 0.000 0.213 13 A C 1.912 179.450 177.584 -0.078 0.000 1.183 13 A CA 0.872 52.917 52.037 0.013 0.000 0.719 13 A CB -0.251 18.782 19.000 0.056 0.000 0.771 13 A HN 0.411 8.561 8.150 -0.000 0.000 0.484 14 L N -0.394 120.784 121.223 -0.074 0.000 2.910 14 L HA 0.162 4.505 4.340 0.005 0.000 0.252 14 L C -0.085 176.784 176.870 -0.002 0.000 1.195 14 L CA -0.410 54.380 54.840 -0.083 0.000 1.003 14 L CB 0.030 41.986 42.059 -0.172 0.000 1.328 14 L HN 0.212 8.442 8.230 -0.000 0.000 0.540 15 E N 2.485 122.671 120.200 -0.024 0.000 2.414 15 E HA 0.041 4.394 4.350 0.005 0.000 0.263 15 E C -1.498 174.962 176.600 -0.234 0.000 1.000 15 E CA -0.885 55.466 56.400 -0.081 0.000 0.914 15 E CB 1.093 30.765 29.700 -0.046 0.000 0.948 15 E HN 0.062 8.422 8.360 -0.000 0.000 0.444 16 P HA 0.086 4.506 4.420 -0.000 0.000 0.267 16 P C 0.574 177.752 177.300 -0.204 0.000 1.289 16 P CA 0.238 63.160 63.100 -0.297 0.000 0.866 16 P CB 0.387 31.942 31.700 -0.241 0.000 1.309 17 H N 0.531 119.653 119.070 0.087 0.000 2.357 17 H HA 0.132 4.690 4.556 0.004 0.000 0.301 17 H C 1.003 176.475 175.328 0.240 0.000 1.082 17 H CA 0.957 57.085 56.048 0.133 0.000 1.342 17 H CB 0.226 30.017 29.762 0.047 0.000 1.389 17 H HN 0.211 8.491 8.280 -0.000 0.000 0.511 18 I N 2.477 123.209 120.570 0.269 0.000 2.478 18 I HA 0.045 4.218 4.170 0.005 0.000 0.287 18 I C -0.338 175.877 176.117 0.163 0.000 1.042 18 I CA -1.035 60.439 61.300 0.290 0.000 1.067 18 I CB 1.966 40.135 38.000 0.281 0.000 1.233 18 I HN 0.108 8.318 8.210 -0.000 0.000 0.431 19 N N 5.113 123.891 118.700 0.130 0.000 2.513 19 N HA 0.238 4.981 4.740 0.005 0.000 0.274 19 N C 0.823 176.385 175.510 0.086 0.000 1.189 19 N CA -0.190 52.902 53.050 0.071 0.000 0.975 19 N CB 1.429 39.929 38.487 0.023 0.000 1.157 19 N HN 0.662 9.042 8.380 -0.000 0.000 0.465 20 A N 0.999 123.865 122.820 0.077 0.000 2.084 20 A HA -0.266 4.057 4.320 0.005 0.000 0.221 20 A C 2.026 179.626 177.584 0.027 0.000 1.161 20 A CA 1.778 53.872 52.037 0.094 0.000 0.653 20 A CB -0.944 18.136 19.000 0.132 0.000 0.802 20 A HN 0.906 9.056 8.150 -0.000 0.000 0.457 21 Q N -0.327 119.485 119.800 0.021 0.000 2.079 21 Q HA -0.115 4.228 4.340 0.005 0.000 0.200 21 Q C 1.863 177.858 176.000 -0.009 0.000 0.974 21 Q CA 1.657 57.457 55.803 -0.005 0.000 0.840 21 Q CB -0.243 28.499 28.738 0.008 0.000 0.898 21 Q HN 0.710 8.980 8.270 -0.000 0.000 0.430 22 I N 0.156 120.756 120.570 0.049 0.000 2.179 22 I HA -0.283 3.890 4.170 0.005 0.000 0.242 22 I C 2.221 178.417 176.117 0.131 0.000 1.088 22 I CA 0.841 62.209 61.300 0.114 0.000 1.357 22 I CB -0.210 37.897 38.000 0.178 0.000 1.051 22 I HN 0.362 8.572 8.210 -0.000 0.000 0.409 23 M N -0.299 119.347 119.600 0.077 0.000 2.229 23 M HA -0.207 4.276 4.480 0.005 0.000 0.264 23 M C 2.264 178.280 176.300 -0.473 0.000 1.063 23 M CA 1.625 56.926 55.300 0.002 0.000 1.114 23 M CB -1.174 31.490 32.600 0.107 0.000 1.387 23 M HN 0.227 8.517 8.290 -0.000 0.000 0.420 24 Q N 0.578 119.943 119.800 -0.724 0.000 2.014 24 Q HA -0.125 4.218 4.340 0.005 0.000 0.207 24 Q C 2.092 177.802 176.000 -0.484 0.000 0.993 24 Q CA 1.783 56.940 55.803 -1.077 0.000 0.850 24 Q CB -0.216 28.254 28.738 -0.447 0.000 0.916 24 Q HN 0.526 8.796 8.270 -0.000 0.000 0.417 25 L N -1.875 119.232 121.223 -0.193 0.000 2.095 25 L HA -0.095 4.248 4.340 0.005 0.000 0.204 25 L C 2.302 179.228 176.870 0.093 0.000 1.080 25 L CA 1.244 56.040 54.840 -0.074 0.000 0.759 25 L CB -0.713 41.320 42.059 -0.043 0.000 0.914 25 L HN 0.366 8.596 8.230 -0.000 0.000 0.439 26 H N -0.851 118.339 119.070 0.200 0.000 2.353 26 H HA -0.240 4.318 4.556 0.005 0.000 0.298 26 H C 2.488 178.041 175.328 0.376 0.000 1.103 26 H CA 1.927 58.235 56.048 0.434 0.000 1.293 26 H CB 0.175 30.298 29.762 0.601 0.000 1.372 26 H HN 0.319 8.599 8.280 -0.000 0.000 0.501 27 H N -0.739 118.395 119.070 0.106 0.000 2.372 27 H HA -0.078 4.481 4.556 0.005 0.000 0.301 27 H C 2.362 177.712 175.328 0.035 0.000 1.065 27 H CA 1.460 57.456 56.048 -0.087 0.000 1.364 27 H CB 0.354 29.845 29.762 -0.451 0.000 1.406 27 H HN 0.460 8.740 8.280 -0.000 0.000 0.521 28 S N 0.291 115.996 115.700 0.008 0.000 2.370 28 S HA 0.016 4.489 4.470 0.005 0.000 0.214 28 S C 2.031 176.584 174.600 -0.077 0.000 1.033 28 S CA -0.012 58.154 58.200 -0.056 0.000 0.941 28 S CB 0.066 63.266 63.200 -0.000 0.000 0.886 28 S HN 0.184 8.494 8.310 -0.000 0.000 0.521 29 K N 0.912 121.240 120.400 -0.119 0.000 2.007 29 K HA 0.018 4.341 4.320 0.005 0.000 0.206 29 K C 2.341 178.787 176.600 -0.257 0.000 1.047 29 K CA 1.409 57.569 56.287 -0.213 0.000 0.937 29 K CB -0.743 31.571 32.500 -0.310 0.000 0.718 29 K HN 0.535 8.785 8.250 -0.000 0.000 0.438 30 H N -0.143 118.889 119.070 -0.063 0.000 2.276 30 H HA -0.113 4.446 4.556 0.004 0.000 0.301 30 H C 2.338 177.672 175.328 0.011 0.000 1.073 30 H CA 1.545 57.525 56.048 -0.113 0.000 1.311 30 H CB -0.517 29.166 29.762 -0.132 0.000 1.379 30 H HN 0.294 8.574 8.280 -0.000 0.000 0.494 31 H N 1.078 120.275 119.070 0.213 0.000 2.387 31 H HA 0.019 4.578 4.556 0.005 0.000 0.299 31 H C 2.100 177.562 175.328 0.224 0.000 1.090 31 H CA 1.404 57.639 56.048 0.312 0.000 1.332 31 H CB -0.297 29.673 29.762 0.346 0.000 1.386 31 H HN 0.334 8.614 8.280 -0.000 0.000 0.516 32 A N 0.834 123.735 122.820 0.135 0.000 1.972 32 A HA -0.017 4.306 4.320 0.005 0.000 0.219 32 A C 2.732 180.328 177.584 0.021 0.000 1.169 32 A CA 1.631 53.677 52.037 0.015 0.000 0.635 32 A CB -1.097 17.865 19.000 -0.065 0.000 0.810 32 A HN 0.557 8.707 8.150 -0.000 0.000 0.446 33 A N -0.804 121.986 122.820 -0.050 0.000 1.892 33 A HA -0.165 4.158 4.320 0.005 0.000 0.218 33 A C 2.077 179.613 177.584 -0.080 0.000 1.188 33 A CA 1.833 53.788 52.037 -0.136 0.000 0.631 33 A CB -0.911 17.898 19.000 -0.319 0.000 0.822 33 A HN 0.604 8.754 8.150 -0.000 0.000 0.447 34 Y N -0.027 120.367 120.300 0.157 0.000 2.242 34 Y HA -0.122 4.430 4.550 0.004 0.000 0.291 34 Y C 2.594 178.578 175.900 0.141 0.000 1.137 34 Y CA 1.191 59.390 58.100 0.166 0.000 1.181 34 Y CB -0.803 37.769 38.460 0.186 0.000 0.989 34 Y HN 0.104 8.384 8.280 -0.000 0.000 0.527 35 V N 0.168 120.271 119.914 0.315 0.000 2.343 35 V HA -0.306 3.817 4.120 0.005 0.000 0.247 35 V C 2.075 178.207 176.094 0.064 0.000 1.051 35 V CA 2.138 64.507 62.300 0.116 0.000 1.036 35 V CB -0.885 30.988 31.823 0.084 0.000 0.654 35 V HN 0.379 8.569 8.190 -0.000 0.000 0.451 36 N N 1.062 119.803 118.700 0.069 0.000 2.166 36 N HA -0.149 4.594 4.740 0.005 0.000 0.186 36 N C 1.570 177.119 175.510 0.065 0.000 1.019 36 N CA 1.589 54.669 53.050 0.050 0.000 0.856 36 N CB -0.264 38.239 38.487 0.026 0.000 0.993 36 N HN 0.510 8.890 8.380 -0.000 0.000 0.426 37 N N 0.417 119.168 118.700 0.086 0.000 2.331 37 N HA -0.078 4.665 4.740 0.005 0.000 0.180 37 N C 1.690 177.271 175.510 0.119 0.000 1.019 37 N CA 0.223 53.335 53.050 0.104 0.000 0.881 37 N CB -0.309 38.258 38.487 0.133 0.000 0.972 37 N HN 0.314 8.694 8.380 -0.000 0.000 0.435 38 L N 1.109 122.401 121.223 0.115 0.000 1.989 38 L HA -0.187 4.156 4.340 0.005 0.000 0.211 38 L C 1.801 178.739 176.870 0.113 0.000 1.071 38 L CA 1.372 56.262 54.840 0.083 0.000 0.749 38 L CB -0.254 41.779 42.059 -0.043 0.000 0.890 38 L HN 0.120 8.350 8.230 -0.000 0.000 0.431 39 N N -0.270 118.503 118.700 0.121 0.000 2.013 39 N HA -0.192 4.551 4.740 0.005 0.000 0.195 39 N C 1.779 177.340 175.510 0.085 0.000 1.051 39 N CA 1.794 54.912 53.050 0.113 0.000 0.851 39 N CB -0.784 37.750 38.487 0.079 0.000 1.044 39 N HN 0.157 8.537 8.380 -0.000 0.000 0.422 40 V N 1.407 121.365 119.914 0.073 0.000 2.278 40 V HA -0.284 3.839 4.120 0.005 0.000 0.251 40 V C 2.272 178.417 176.094 0.085 0.000 1.062 40 V CA 2.222 64.563 62.300 0.068 0.000 1.038 40 V CB -1.231 30.628 31.823 0.060 0.000 0.646 40 V HN 0.416 8.606 8.190 -0.000 0.000 0.447 41 T N -0.848 113.769 114.554 0.106 0.000 2.737 41 T HA -0.201 4.152 4.350 0.005 0.000 0.265 41 T C 1.842 176.641 174.700 0.165 0.000 1.038 41 T CA 1.560 63.741 62.100 0.136 0.000 1.144 41 T CB -0.293 68.662 68.868 0.145 0.000 0.866 41 T HN 0.548 8.788 8.240 -0.000 0.000 0.434 42 E N 0.540 120.821 120.200 0.136 0.000 2.153 42 E HA -0.148 4.205 4.350 0.005 0.000 0.194 42 E C 2.414 179.094 176.600 0.134 0.000 0.988 42 E CA 0.649 57.126 56.400 0.130 0.000 0.811 42 E CB 0.008 29.775 29.700 0.111 0.000 0.746 42 E HN 0.418 8.778 8.360 -0.000 0.000 0.466 43 E N 0.979 121.240 120.200 0.103 0.000 2.012 43 E HA -0.203 4.150 4.350 0.005 0.000 0.197 43 E C 1.973 178.625 176.600 0.087 0.000 1.007 43 E CA 1.265 57.711 56.400 0.077 0.000 0.816 43 E CB -0.051 29.684 29.700 0.057 0.000 0.762 43 E HN 0.121 8.481 8.360 -0.000 0.000 0.451 44 K N -0.457 119.998 120.400 0.092 0.000 2.160 44 K HA -0.200 4.123 4.320 0.005 0.000 0.206 44 K C 2.129 178.783 176.600 0.092 0.000 1.047 44 K CA 1.326 57.659 56.287 0.077 0.000 0.930 44 K CB -0.269 32.274 32.500 0.072 0.000 0.720 44 K HN 0.146 8.396 8.250 -0.000 0.000 0.450 45 Y N 1.874 122.192 120.300 0.031 0.000 2.420 45 Y HA -0.113 4.440 4.550 0.005 0.000 0.292 45 Y C 2.342 178.257 175.900 0.025 0.000 1.119 45 Y CA 1.037 59.155 58.100 0.030 0.000 1.229 45 Y CB 0.094 38.578 38.460 0.038 0.000 1.026 45 Y HN 0.136 8.416 8.280 -0.000 0.000 0.554 46 Q N -0.443 119.491 119.800 0.225 0.000 2.245 46 Q HA -0.136 4.207 4.340 0.005 0.000 0.201 46 Q C 1.346 177.388 176.000 0.069 0.000 0.955 46 Q CA 1.493 57.379 55.803 0.138 0.000 0.870 46 Q CB -0.366 28.427 28.738 0.091 0.000 0.945 46 Q HN 0.522 8.792 8.270 -0.000 0.000 0.461 47 E N 1.578 121.805 120.200 0.046 0.000 2.017 47 E HA -0.148 4.205 4.350 0.005 0.000 0.193 47 E C 2.139 178.730 176.600 -0.016 0.000 0.997 47 E CA 1.236 57.644 56.400 0.014 0.000 0.804 47 E CB -0.192 29.514 29.700 0.009 0.000 0.757 47 E HN 0.525 8.885 8.360 -0.000 0.000 0.448 48 A N 1.346 124.132 122.820 -0.058 0.000 1.972 48 A HA -0.133 4.190 4.320 0.005 0.000 0.219 48 A C 2.172 179.687 177.584 -0.116 0.000 1.169 48 A CA 0.803 52.773 52.037 -0.111 0.000 0.635 48 A CB -0.582 18.301 19.000 -0.195 0.000 0.810 48 A HN 0.198 8.348 8.150 -0.000 0.000 0.446 49 L N -0.839 120.326 121.223 -0.097 0.000 2.046 49 L HA -0.208 4.135 4.340 0.005 0.000 0.208 49 L C 2.977 179.846 176.870 -0.002 0.000 1.077 49 L CA 1.266 56.090 54.840 -0.027 0.000 0.747 49 L CB -0.365 41.747 42.059 0.088 0.000 0.896 49 L HN 0.450 8.680 8.230 -0.000 0.000 0.432 50 A N -0.270 122.553 122.820 0.004 0.000 1.902 50 A HA -0.230 4.093 4.320 0.005 0.000 0.217 50 A C 2.105 179.688 177.584 -0.003 0.000 1.181 50 A CA 1.595 53.636 52.037 0.008 0.000 0.623 50 A CB -0.334 18.673 19.000 0.011 0.000 0.818 50 A HN 0.358 8.508 8.150 -0.000 0.000 0.443 51 K N -0.847 119.545 120.400 -0.014 0.000 2.525 51 K HA 0.173 4.496 4.320 0.005 0.000 0.192 51 K C 0.989 177.577 176.600 -0.020 0.000 1.029 51 K CA 0.421 56.697 56.287 -0.017 0.000 1.029 51 K CB -0.306 32.179 32.500 -0.024 0.000 0.814 51 K HN 0.636 8.886 8.250 -0.000 0.000 0.503 52 G N 2.534 111.321 108.800 -0.021 0.000 2.258 52 G HA2 -0.284 3.679 3.960 0.005 0.000 0.274 52 G HA3 -0.284 3.679 3.960 0.005 0.000 0.274 52 G C -0.353 174.528 174.900 -0.032 0.000 1.021 52 G CA 0.560 45.648 45.100 -0.020 0.000 0.798 52 G HN 0.407 8.697 8.290 -0.000 0.000 0.507 53 D N 0.197 120.565 120.400 -0.053 0.000 2.517 53 D HA 0.407 5.050 4.640 0.005 0.000 0.220 53 D C 1.715 177.966 176.300 -0.080 0.000 1.158 53 D CA -0.072 53.891 54.000 -0.061 0.000 0.992 53 D CB 0.388 41.149 40.800 -0.066 0.000 1.058 53 D HN 0.065 8.435 8.370 -0.000 0.000 0.516 54 V N 2.393 122.275 119.914 -0.052 0.000 2.594 54 V HA -0.190 3.933 4.120 0.005 0.000 0.253 54 V C 2.382 178.449 176.094 -0.045 0.000 1.069 54 V CA 1.581 63.854 62.300 -0.045 0.000 1.082 54 V CB -0.623 31.189 31.823 -0.017 0.000 0.680 54 V HN 0.474 8.664 8.190 -0.000 0.000 0.469 55 T N -0.016 114.514 114.554 -0.039 0.000 2.896 55 T HA 0.064 4.417 4.350 0.005 0.000 0.263 55 T C 1.982 176.655 174.700 -0.045 0.000 1.050 55 T CA 1.303 63.385 62.100 -0.030 0.000 1.140 55 T CB -0.125 68.731 68.868 -0.019 0.000 0.877 55 T HN 0.563 8.803 8.240 -0.000 0.000 0.457 56 A N 0.894 123.672 122.820 -0.069 0.000 2.016 56 A HA -0.015 4.308 4.320 0.005 0.000 0.217 56 A C 2.167 179.656 177.584 -0.159 0.000 1.162 56 A CA 0.925 52.910 52.037 -0.085 0.000 0.662 56 A CB -0.376 18.573 19.000 -0.085 0.000 0.812 56 A HN 0.508 8.658 8.150 -0.000 0.000 0.450 57 Q N -0.327 119.327 119.800 -0.243 0.000 2.030 57 Q HA -0.143 4.200 4.340 0.005 0.000 0.204 57 Q C 1.934 177.861 176.000 -0.121 0.000 0.986 57 Q CA 1.711 57.251 55.803 -0.439 0.000 0.843 57 Q CB -0.337 28.164 28.738 -0.394 0.000 0.904 57 Q HN 0.701 8.971 8.270 -0.000 0.000 0.420 58 I N 0.577 121.132 120.570 -0.025 0.000 2.361 58 I HA -0.284 3.889 4.170 0.005 0.000 0.251 58 I C 2.319 178.469 176.117 0.054 0.000 1.133 58 I CA 0.855 62.182 61.300 0.046 0.000 1.413 58 I CB -0.259 37.758 38.000 0.028 0.000 1.073 58 I HN 0.196 8.406 8.210 -0.000 0.000 0.424 59 A N 0.541 123.375 122.820 0.022 0.000 1.930 59 A HA -0.113 4.210 4.320 0.005 0.000 0.217 59 A C 2.092 179.715 177.584 0.066 0.000 1.175 59 A CA 1.170 53.226 52.037 0.032 0.000 0.627 59 A CB -0.742 18.262 19.000 0.008 0.000 0.815 59 A HN 0.423 8.573 8.150 -0.000 0.000 0.443 60 L N -0.066 121.207 121.223 0.083 0.000 2.622 60 L HA -0.109 4.234 4.340 0.005 0.000 0.233 60 L C 2.363 179.379 176.870 0.242 0.000 1.156 60 L CA 0.232 55.174 54.840 0.169 0.000 0.866 60 L CB -0.394 41.797 42.059 0.220 0.000 0.980 60 L HN 0.501 8.731 8.230 -0.000 0.000 0.448 61 Q N 0.585 120.511 119.800 0.209 0.000 2.096 61 Q HA -0.084 4.259 4.340 0.005 0.000 0.197 61 Q C -0.378 175.704 176.000 0.137 0.000 0.964 61 Q CA 1.055 56.969 55.803 0.186 0.000 0.838 61 Q CB -0.859 27.969 28.738 0.150 0.000 0.906 61 Q HN 0.452 8.722 8.270 -0.000 0.000 0.444 62 P HA -0.081 4.339 4.420 -0.000 0.000 0.219 62 P C 1.001 178.401 177.300 0.167 0.000 1.150 62 P CA 1.546 64.721 63.100 0.125 0.000 0.814 62 P CB 0.106 31.856 31.700 0.083 0.000 0.787 63 A N 0.965 123.876 122.820 0.152 0.000 1.877 63 A HA -0.142 4.181 4.320 0.005 0.000 0.216 63 A C 2.377 180.087 177.584 0.210 0.000 1.186 63 A CA 1.255 53.400 52.037 0.181 0.000 0.620 63 A CB -1.619 17.468 19.000 0.145 0.000 0.822 63 A HN 0.132 8.282 8.150 -0.000 0.000 0.443 64 L N -0.290 121.030 121.223 0.162 0.000 1.976 64 L HA -0.171 4.172 4.340 0.005 0.000 0.209 64 L C 2.455 179.387 176.870 0.103 0.000 1.071 64 L CA 2.591 57.494 54.840 0.105 0.000 0.746 64 L CB -0.810 41.263 42.059 0.024 0.000 0.890 64 L HN 0.521 8.751 8.230 -0.000 0.000 0.432 65 K N -0.934 119.534 120.400 0.113 0.000 2.063 65 K HA -0.273 4.050 4.320 0.005 0.000 0.208 65 K C 2.188 178.886 176.600 0.164 0.000 1.048 65 K CA 1.750 58.099 56.287 0.103 0.000 0.928 65 K CB -0.364 32.202 32.500 0.109 0.000 0.713 65 K HN 0.143 8.393 8.250 -0.000 0.000 0.442 66 F N 2.054 122.065 119.950 0.102 0.000 2.065 66 F HA -0.242 4.288 4.527 0.004 0.000 0.298 66 F C 1.575 177.471 175.800 0.159 0.000 1.112 66 F CA 2.320 60.415 58.000 0.158 0.000 1.212 66 F CB -0.296 38.839 39.000 0.226 0.000 0.975 66 F HN 0.211 8.511 8.300 -0.000 0.000 0.476 67 N N -0.847 118.042 118.700 0.315 0.000 2.368 67 N HA 0.048 4.791 4.740 0.005 0.000 0.176 67 N C 2.036 177.607 175.510 0.101 0.000 1.021 67 N CA 0.705 53.933 53.050 0.297 0.000 0.888 67 N CB -0.623 38.072 38.487 0.346 0.000 0.995 67 N HN 0.341 8.721 8.380 -0.000 0.000 0.437 68 G N 0.716 109.543 108.800 0.046 0.000 2.552 68 G HA2 -0.210 3.753 3.960 0.005 0.000 0.216 68 G HA3 -0.210 3.753 3.960 0.005 0.000 0.216 68 G C 1.570 176.421 174.900 -0.081 0.000 1.240 68 G CA 0.973 46.057 45.100 -0.028 0.000 0.796 68 G HN 0.363 8.653 8.290 -0.000 0.000 0.568 69 G N 0.585 109.308 108.800 -0.128 0.000 2.450 69 G HA2 0.062 4.025 3.960 0.005 0.000 0.220 69 G HA3 0.062 4.025 3.960 0.005 0.000 0.220 69 G C 1.736 176.402 174.900 -0.389 0.000 1.130 69 G CA 1.394 46.353 45.100 -0.235 0.000 0.760 69 G HN 0.691 8.981 8.290 -0.000 0.000 0.557 70 G N -0.558 107.937 108.800 -0.509 0.000 2.484 70 G HA2 -0.125 3.838 3.960 0.005 0.000 0.218 70 G HA3 -0.125 3.838 3.960 0.005 0.000 0.218 70 G C 1.472 175.998 174.900 -0.623 0.000 1.130 70 G CA 1.212 45.735 45.100 -0.961 0.000 0.784 70 G HN 0.571 8.861 8.290 -0.000 0.000 0.543 71 H N 0.087 118.977 119.070 -0.300 0.000 2.294 71 H HA 0.092 4.651 4.556 0.005 0.000 0.306 71 H C 2.189 177.441 175.328 -0.127 0.000 1.065 71 H CA 1.130 57.161 56.048 -0.028 0.000 1.343 71 H CB -0.114 29.668 29.762 0.033 0.000 1.396 71 H HN 0.188 8.468 8.280 -0.000 0.000 0.506 72 I N 0.538 120.955 120.570 -0.255 0.000 2.617 72 I HA -0.140 4.033 4.170 0.005 0.000 0.256 72 I C 1.375 177.263 176.117 -0.380 0.000 1.167 72 I CA 0.833 61.956 61.300 -0.293 0.000 1.469 72 I CB -0.554 37.338 38.000 -0.180 0.000 1.098 72 I HN 0.248 8.458 8.210 -0.000 0.000 0.436 73 N N 0.377 118.762 118.700 -0.526 0.000 2.039 73 N HA -0.204 4.539 4.740 0.005 0.000 0.193 73 N C 1.883 176.968 175.510 -0.709 0.000 1.044 73 N CA 1.952 54.525 53.050 -0.796 0.000 0.847 73 N CB -0.630 37.108 38.487 -1.247 0.000 1.030 73 N HN 0.512 8.892 8.380 -0.000 0.000 0.422 74 H N -0.435 118.272 119.070 -0.605 0.000 2.421 74 H HA 0.091 4.649 4.556 0.004 0.000 0.298 74 H C 2.013 176.830 175.328 -0.851 0.000 1.087 74 H CA 1.256 56.899 56.048 -0.674 0.000 1.330 74 H CB 0.135 29.454 29.762 -0.739 0.000 1.388 74 H HN 0.126 8.406 8.280 -0.000 0.000 0.526 75 S N -0.005 115.443 115.700 -0.420 0.000 2.383 75 S HA -0.105 4.368 4.470 0.005 0.000 0.227 75 S C 2.082 176.601 174.600 -0.135 0.000 1.026 75 S CA 0.971 59.092 58.200 -0.132 0.000 0.981 75 S CB -0.062 63.089 63.200 -0.081 0.000 0.818 75 S HN 0.304 8.614 8.310 -0.000 0.000 0.472 76 I N 0.321 120.804 120.570 -0.145 0.000 2.315 76 I HA -0.133 4.040 4.170 0.005 0.000 0.248 76 I C 2.066 178.174 176.117 -0.015 0.000 1.117 76 I CA 0.836 62.116 61.300 -0.032 0.000 1.404 76 I CB -0.325 37.695 38.000 0.032 0.000 1.071 76 I HN 0.184 8.394 8.210 -0.000 0.000 0.419 77 F N 1.372 121.140 119.950 -0.304 0.000 2.043 77 F HA -0.270 4.259 4.527 0.003 0.000 0.297 77 F C 2.118 177.832 175.800 -0.143 0.000 1.121 77 F CA 1.529 59.362 58.000 -0.278 0.000 1.199 77 F CB -0.950 37.809 39.000 -0.401 0.000 0.968 77 F HN 0.066 8.366 8.300 -0.000 0.000 0.478 78 W N 0.064 121.415 121.300 0.086 0.000 2.325 78 W HA -0.258 4.404 4.660 0.003 0.000 0.299 78 W C 2.748 179.289 176.519 0.037 0.000 1.215 78 W CA 1.417 58.773 57.345 0.017 0.000 1.244 78 W CB -1.453 28.010 29.460 0.004 0.000 1.140 78 W HN 0.162 8.342 8.180 -0.000 0.000 0.523 79 T N -1.741 112.916 114.554 0.172 0.000 2.867 79 T HA -0.151 4.202 4.350 0.005 0.000 0.268 79 T C 1.252 175.984 174.700 0.054 0.000 1.057 79 T CA 1.608 63.778 62.100 0.117 0.000 1.136 79 T CB -0.822 68.099 68.868 0.088 0.000 0.874 79 T HN 0.273 8.513 8.240 -0.000 0.000 0.466 80 N N 0.603 119.297 118.700 -0.009 0.000 2.512 80 N HA 0.179 4.922 4.740 0.005 0.000 0.183 80 N C -0.109 175.296 175.510 -0.176 0.000 1.073 80 N CA 0.183 53.180 53.050 -0.089 0.000 0.911 80 N CB -0.177 38.261 38.487 -0.082 0.000 0.964 80 N HN 0.461 8.841 8.380 -0.000 0.000 0.447 81 L N -0.443 120.703 121.223 -0.128 0.000 2.331 81 L HA 0.586 4.929 4.340 0.005 0.000 0.275 81 L C -0.108 176.745 176.870 -0.028 0.000 1.022 81 L CA -0.729 54.010 54.840 -0.170 0.000 0.812 81 L CB 1.892 43.776 42.059 -0.292 0.000 1.257 81 L HN -0.193 8.037 8.230 -0.000 0.000 0.435 82 S N 1.254 116.856 115.700 -0.163 0.000 2.578 82 S HA 0.358 4.831 4.470 0.005 0.000 0.285 82 S C -2.355 172.171 174.600 -0.124 0.000 1.126 82 S CA -0.787 57.355 58.200 -0.097 0.000 0.878 82 S CB 1.868 65.090 63.200 0.037 0.000 1.091 82 S HN 0.426 8.736 8.310 -0.000 0.000 0.450 83 P HA -0.132 4.288 4.420 -0.000 0.000 0.214 83 P C 0.729 178.031 177.300 0.004 0.000 1.163 83 P CA 1.509 64.587 63.100 -0.037 0.000 0.883 83 P CB -0.346 31.344 31.700 -0.018 0.000 0.788 84 N N -0.093 118.619 118.700 0.019 0.000 2.501 84 N HA 0.022 4.765 4.740 0.005 0.000 0.195 84 N C 1.110 176.643 175.510 0.038 0.000 1.213 84 N CA 0.276 53.345 53.050 0.032 0.000 0.864 84 N CB -0.396 38.114 38.487 0.037 0.000 0.999 84 N HN 0.114 8.494 8.380 -0.000 0.000 0.454 85 G N -0.722 108.089 108.800 0.018 0.000 2.535 85 G HA2 0.580 4.543 3.960 0.005 0.000 0.303 85 G HA3 0.580 4.543 3.960 0.005 0.000 0.303 85 G C 0.287 175.204 174.900 0.028 0.000 1.237 85 G CA 0.115 45.221 45.100 0.010 0.000 0.986 85 G HN 0.455 8.745 8.290 -0.000 0.000 0.494 86 G N -2.390 106.440 108.800 0.049 0.000 2.498 86 G HA2 0.545 4.508 3.960 0.005 0.000 0.651 86 G HA3 0.545 4.508 3.960 0.005 0.000 0.651 86 G C 0.683 175.802 174.900 0.365 0.000 1.284 86 G CA 0.460 45.653 45.100 0.154 0.000 0.950 86 G HN 2.765 11.055 8.290 -0.000 0.000 0.511 87 G N -0.713 108.290 108.800 0.338 0.000 2.498 87 G HA2 0.100 4.063 3.960 0.005 0.000 0.251 87 G HA3 0.100 4.063 3.960 0.005 0.000 0.251 87 G C -0.047 174.898 174.900 0.074 0.000 1.170 87 G CA 0.982 46.200 45.100 0.198 0.000 0.944 87 G HN 1.542 9.832 8.290 -0.000 0.000 0.567 88 E N 2.041 122.038 120.200 -0.339 0.000 2.227 88 E HA 0.496 4.849 4.350 0.005 0.000 0.268 88 E C -2.448 173.625 176.600 -0.879 0.000 0.907 88 E CA -1.714 54.060 56.400 -1.043 0.000 0.786 88 E CB 2.426 31.443 29.700 -1.138 0.000 1.191 88 E HN 0.432 8.792 8.360 -0.000 0.000 0.411 89 P HA 0.039 4.459 4.420 -0.000 0.000 0.271 89 P C -0.871 176.216 177.300 -0.354 0.000 1.226 89 P CA 0.128 62.892 63.100 -0.560 0.000 0.765 89 P CB 0.707 32.037 31.700 -0.618 0.000 0.835 90 K N 1.996 122.291 120.400 -0.175 0.000 2.168 90 K HA 0.442 4.765 4.320 0.005 0.000 0.258 90 K C 1.234 177.775 176.600 -0.099 0.000 1.010 90 K CA 0.248 56.458 56.287 -0.128 0.000 0.929 90 K CB 0.038 32.500 32.500 -0.063 0.000 0.998 90 K HN 0.732 8.982 8.250 -0.000 0.000 0.479 91 G N 1.325 110.076 108.800 -0.081 0.000 2.574 91 G HA2 -0.414 3.549 3.960 0.005 0.000 0.282 91 G HA3 -0.414 3.549 3.960 0.005 0.000 0.282 91 G C 0.891 175.756 174.900 -0.059 0.000 1.257 91 G CA 0.739 45.810 45.100 -0.048 0.000 0.956 91 G HN 0.821 9.111 8.290 -0.000 0.000 0.560 92 E N -0.732 119.467 120.200 -0.002 0.000 2.113 92 E HA -0.236 4.117 4.350 0.005 0.000 0.210 92 E C 2.619 179.137 176.600 -0.137 0.000 1.040 92 E CA 2.106 58.527 56.400 0.035 0.000 0.847 92 E CB -0.232 29.593 29.700 0.208 0.000 0.755 92 E HN 0.459 8.819 8.360 -0.000 0.000 0.459 93 L N 0.051 121.081 121.223 -0.322 0.000 1.970 93 L HA -0.213 4.130 4.340 0.005 0.000 0.212 93 L C 2.611 179.225 176.870 -0.427 0.000 1.071 93 L CA 1.502 55.898 54.840 -0.741 0.000 0.751 93 L CB -0.430 41.317 42.059 -0.520 0.000 0.889 93 L HN 0.342 8.572 8.230 -0.000 0.000 0.432 94 L N 0.206 121.246 121.223 -0.305 0.000 2.034 94 L HA -0.310 4.033 4.340 0.005 0.000 0.217 94 L C 2.567 179.340 176.870 -0.161 0.000 1.077 94 L CA 1.951 56.638 54.840 -0.255 0.000 0.769 94 L CB -0.596 41.317 42.059 -0.244 0.000 0.890 94 L HN 0.298 8.528 8.230 -0.000 0.000 0.435 95 E N -0.120 120.002 120.200 -0.130 0.000 2.077 95 E HA -0.199 4.153 4.350 0.005 0.000 0.193 95 E C 2.251 178.815 176.600 -0.059 0.000 0.989 95 E CA 1.351 57.709 56.400 -0.071 0.000 0.800 95 E CB -0.673 29.004 29.700 -0.039 0.000 0.746 95 E HN 0.674 9.034 8.360 -0.000 0.000 0.452 96 A N 1.614 124.386 122.820 -0.080 0.000 1.883 96 A HA -0.188 4.134 4.320 0.005 0.000 0.217 96 A C 2.381 179.921 177.584 -0.073 0.000 1.186 96 A CA 1.400 53.412 52.037 -0.041 0.000 0.624 96 A CB -0.826 18.156 19.000 -0.031 0.000 0.822 96 A HN 0.199 8.349 8.150 -0.000 0.000 0.444 97 I N -0.627 119.900 120.570 -0.072 0.000 2.194 97 I HA -0.345 3.828 4.170 0.005 0.000 0.246 97 I C 2.496 178.683 176.117 0.118 0.000 1.093 97 I CA 2.004 63.355 61.300 0.085 0.000 1.355 97 I CB -0.314 37.624 38.000 -0.104 0.000 1.046 97 I HN 0.366 8.576 8.210 -0.000 0.000 0.413 98 K N 0.133 120.548 120.400 0.025 0.000 2.057 98 K HA -0.171 4.152 4.320 0.005 0.000 0.206 98 K C 2.256 178.844 176.600 -0.021 0.000 1.050 98 K CA 1.034 57.335 56.287 0.024 0.000 0.935 98 K CB -0.205 32.294 32.500 -0.002 0.000 0.715 98 K HN 0.196 8.446 8.250 -0.000 0.000 0.439 99 R N 0.768 121.234 120.500 -0.056 0.000 2.148 99 R HA -0.116 4.227 4.340 0.005 0.000 0.223 99 R C 0.753 176.955 176.300 -0.164 0.000 1.088 99 R CA 1.537 57.592 56.100 -0.074 0.000 0.985 99 R CB 0.195 30.471 30.300 -0.041 0.000 0.880 99 R HN 0.182 8.452 8.270 -0.000 0.000 0.451 100 D N -1.192 119.004 120.400 -0.341 0.000 2.380 100 D HA 0.008 4.651 4.640 0.005 0.000 0.212 100 D C 0.507 176.285 176.300 -0.871 0.000 1.021 100 D CA 0.644 54.227 54.000 -0.695 0.000 0.884 100 D CB 0.366 40.574 40.800 -0.986 0.000 1.001 100 D HN 0.221 8.591 8.370 -0.000 0.000 0.506 101 F N -0.456 119.517 119.950 0.038 0.000 2.706 101 F HA 0.351 4.882 4.527 0.006 0.000 0.313 101 F C 1.860 177.677 175.800 0.028 0.000 1.096 101 F CA 0.072 58.101 58.000 0.049 0.000 1.219 101 F CB 0.950 40.027 39.000 0.127 0.000 1.051 101 F HN 0.011 8.311 8.300 -0.000 0.000 0.568 102 G N 0.657 109.512 108.800 0.091 0.000 2.812 102 G HA2 -0.250 3.713 3.960 0.005 0.000 0.219 102 G HA3 -0.250 3.713 3.960 0.005 0.000 0.219 102 G C 0.353 175.298 174.900 0.075 0.000 1.275 102 G CA 0.228 45.364 45.100 0.060 0.000 0.769 102 G HN 0.778 9.068 8.290 -0.000 0.000 0.527 103 S N -1.237 114.537 115.700 0.122 0.000 2.596 103 S HA 0.661 5.134 4.470 0.005 0.000 0.270 103 S C 0.314 175.027 174.600 0.188 0.000 1.155 103 S CA 0.359 58.632 58.200 0.121 0.000 0.827 103 S CB 1.396 64.639 63.200 0.071 0.000 1.130 103 S HN 1.174 9.484 8.310 -0.000 0.000 0.467 104 F N 1.439 121.408 119.950 0.031 0.000 2.161 104 F HA -0.046 4.484 4.527 0.004 0.000 0.300 104 F C 1.819 177.624 175.800 0.009 0.000 1.089 104 F CA 2.009 60.041 58.000 0.054 0.000 1.282 104 F CB -0.236 38.712 39.000 -0.086 0.000 1.010 104 F HN 0.735 9.035 8.300 -0.000 0.000 0.485 105 D N -0.217 120.166 120.400 -0.029 0.000 2.183 105 D HA -0.130 4.513 4.640 0.005 0.000 0.203 105 D C 2.081 178.240 176.300 -0.235 0.000 0.969 105 D CA 0.787 54.664 54.000 -0.204 0.000 0.842 105 D CB 0.032 40.778 40.800 -0.091 0.000 0.957 105 D HN 0.204 8.574 8.370 -0.000 0.000 0.484 106 K N 0.625 120.960 120.400 -0.108 0.000 2.002 106 K HA -0.133 4.190 4.320 0.005 0.000 0.209 106 K C 1.900 178.401 176.600 -0.165 0.000 1.048 106 K CA 0.624 56.862 56.287 -0.081 0.000 0.930 106 K CB -0.698 31.823 32.500 0.035 0.000 0.714 106 K HN 0.030 8.280 8.250 -0.000 0.000 0.438 107 F N 1.706 121.543 119.950 -0.189 0.000 2.115 107 F HA -0.308 4.222 4.527 0.006 0.000 0.300 107 F C 1.496 176.964 175.800 -0.554 0.000 1.092 107 F CA 1.876 59.590 58.000 -0.477 0.000 1.245 107 F CB -0.170 38.589 39.000 -0.400 0.000 0.995 107 F HN -0.037 8.263 8.300 -0.000 0.000 0.481 108 K N 0.088 119.676 120.400 -1.354 0.000 2.057 108 K HA -0.160 4.163 4.320 0.005 0.000 0.206 108 K C 2.051 178.207 176.600 -0.740 0.000 1.050 108 K CA 1.842 57.304 56.287 -1.376 0.000 0.935 108 K CB -0.265 31.442 32.500 -1.321 0.000 0.715 108 K HN 0.434 8.684 8.250 -0.000 0.000 0.439 109 E N 0.756 120.653 120.200 -0.506 0.000 2.015 109 E HA -0.152 4.201 4.350 0.005 0.000 0.191 109 E C 1.867 178.301 176.600 -0.277 0.000 0.991 109 E CA 0.906 57.131 56.400 -0.291 0.000 0.802 109 E CB 0.078 29.658 29.700 -0.199 0.000 0.759 109 E HN 0.086 8.446 8.360 -0.000 0.000 0.447 110 K N 0.595 120.809 120.400 -0.310 0.000 2.189 110 K HA -0.201 4.122 4.320 0.005 0.000 0.207 110 K C 2.071 178.511 176.600 -0.267 0.000 1.046 110 K CA 0.873 57.009 56.287 -0.252 0.000 0.928 110 K CB -0.353 31.995 32.500 -0.254 0.000 0.720 110 K HN 0.134 8.384 8.250 -0.000 0.000 0.458 111 L N 1.078 122.064 121.223 -0.396 0.000 2.249 111 L HA -0.026 4.317 4.340 0.005 0.000 0.207 111 L C 1.882 178.691 176.870 -0.102 0.000 1.090 111 L CA 1.578 56.285 54.840 -0.222 0.000 0.802 111 L CB -0.780 41.121 42.059 -0.263 0.000 0.947 111 L HN 0.178 8.408 8.230 -0.000 0.000 0.453 112 T N -1.192 113.320 114.554 -0.070 0.000 2.788 112 T HA -0.113 4.239 4.350 0.005 0.000 0.268 112 T C 1.980 176.637 174.700 -0.072 0.000 1.044 112 T CA 1.052 63.129 62.100 -0.038 0.000 1.139 112 T CB -0.791 68.069 68.868 -0.015 0.000 0.867 112 T HN 0.364 8.604 8.240 -0.000 0.000 0.454 113 A N 2.411 125.180 122.820 -0.086 0.000 1.859 113 A HA 0.023 4.346 4.320 0.005 0.000 0.218 113 A C 2.817 180.374 177.584 -0.045 0.000 1.209 113 A CA 2.513 54.510 52.037 -0.068 0.000 0.639 113 A CB -1.580 17.376 19.000 -0.074 0.000 0.835 113 A HN 0.629 8.779 8.150 -0.000 0.000 0.450 114 A N -0.769 122.027 122.820 -0.039 0.000 1.873 114 A HA -0.147 4.176 4.320 0.005 0.000 0.218 114 A C 2.485 180.062 177.584 -0.012 0.000 1.193 114 A CA 2.569 54.602 52.037 -0.007 0.000 0.629 114 A CB -1.162 17.849 19.000 0.018 0.000 0.826 114 A HN 0.549 8.699 8.150 -0.000 0.000 0.447 115 S N -0.581 115.093 115.700 -0.042 0.000 2.356 115 S HA -0.132 4.341 4.470 0.005 0.000 0.223 115 S C 1.840 176.404 174.600 -0.059 0.000 1.032 115 S CA 1.476 59.637 58.200 -0.065 0.000 1.005 115 S CB -0.573 62.554 63.200 -0.121 0.000 0.867 115 S HN 0.321 8.631 8.310 -0.000 0.000 0.449 116 V N 1.390 121.264 119.914 -0.066 0.000 2.626 116 V HA -0.050 4.073 4.120 0.005 0.000 0.252 116 V C 2.197 178.267 176.094 -0.040 0.000 1.067 116 V CA 1.671 63.932 62.300 -0.065 0.000 1.081 116 V CB -1.037 30.742 31.823 -0.074 0.000 0.686 116 V HN 0.594 8.784 8.190 -0.000 0.000 0.468 117 G N -0.617 108.166 108.800 -0.029 0.000 3.262 117 G HA2 0.121 4.083 3.960 0.005 0.000 0.228 117 G HA3 0.121 4.083 3.960 0.005 0.000 0.228 117 G C 0.432 175.328 174.900 -0.007 0.000 1.197 117 G CA -0.066 45.024 45.100 -0.015 0.000 0.819 117 G HN 0.315 8.605 8.290 -0.000 0.000 0.531 118 V N 2.537 122.445 119.914 -0.009 0.000 2.377 118 V HA 0.018 4.141 4.120 0.005 0.000 0.254 118 V C 0.284 176.366 176.094 -0.022 0.000 1.060 118 V CA -0.286 62.010 62.300 -0.006 0.000 1.068 118 V CB 0.328 32.146 31.823 -0.008 0.000 1.113 118 V HN 0.407 8.597 8.190 -0.000 0.000 0.484 119 Q N 4.643 124.433 119.800 -0.016 0.000 2.317 119 Q HA 0.235 4.578 4.340 0.005 0.000 0.286 119 Q C 1.015 176.984 176.000 -0.053 0.000 1.198 119 Q CA 1.159 56.947 55.803 -0.026 0.000 0.973 119 Q CB -0.017 28.711 28.738 -0.017 0.000 1.207 119 Q HN 1.072 9.342 8.270 -0.000 0.000 0.416 120 G N 2.512 111.268 108.800 -0.073 0.000 2.475 120 G HA2 -0.206 3.757 3.960 0.005 0.000 0.223 120 G HA3 -0.206 3.757 3.960 0.005 0.000 0.223 120 G C -0.608 174.159 174.900 -0.222 0.000 1.201 120 G CA -0.357 44.663 45.100 -0.132 0.000 0.962 120 G HN 0.504 8.794 8.290 -0.000 0.000 0.586 121 S N 0.640 116.111 115.700 -0.382 0.000 2.508 121 S HA 0.817 5.290 4.470 0.005 0.000 0.284 121 S C 0.639 174.928 174.600 -0.517 0.000 1.192 121 S CA 0.924 58.686 58.200 -0.730 0.000 1.070 121 S CB 1.099 63.423 63.200 -1.460 0.000 1.004 121 S HN 2.152 10.462 8.310 -0.000 0.000 0.493 122 G N 1.491 110.085 108.800 -0.343 0.000 2.335 122 G HA2 0.459 4.422 3.960 0.005 0.000 0.291 122 G HA3 0.459 4.422 3.960 0.005 0.000 0.291 122 G C -2.600 172.380 174.900 0.133 0.000 1.261 122 G CA -0.788 44.378 45.100 0.110 0.000 0.871 122 G HN 0.540 8.830 8.290 -0.000 0.000 0.491 123 W N -0.413 120.937 121.300 0.083 0.000 2.936 123 W HA 0.670 5.335 4.660 0.008 0.000 0.338 123 W C 0.324 176.761 176.519 -0.137 0.000 1.121 123 W CA -0.383 56.905 57.345 -0.095 0.000 1.209 123 W CB 2.169 31.521 29.460 -0.181 0.000 1.420 123 W HN 0.889 9.069 8.180 -0.000 0.000 0.516 124 G N 0.882 109.621 108.800 -0.102 0.000 2.348 124 G HA2 0.571 4.534 3.960 0.005 0.000 0.312 124 G HA3 0.571 4.534 3.960 0.005 0.000 0.312 124 G C -2.062 172.661 174.900 -0.294 0.000 1.126 124 G CA -0.482 44.563 45.100 -0.091 0.000 0.865 124 G HN 0.435 8.725 8.290 -0.000 0.000 0.474 125 W N 1.836 123.203 121.300 0.111 0.000 2.781 125 W HA 0.405 5.070 4.660 0.007 0.000 0.333 125 W C -0.650 175.957 176.519 0.146 0.000 1.047 125 W CA -0.924 56.492 57.345 0.119 0.000 1.236 125 W CB 2.149 31.657 29.460 0.082 0.000 1.394 125 W HN 0.388 8.568 8.180 -0.000 0.000 0.466 126 L N 4.717 126.191 121.223 0.419 0.000 2.295 126 L HA 0.756 5.099 4.340 0.005 0.000 0.288 126 L C 0.177 177.305 176.870 0.430 0.000 1.079 126 L CA 0.146 55.238 54.840 0.421 0.000 0.830 126 L CB -0.401 41.935 42.059 0.462 0.000 1.200 126 L HN 0.451 8.681 8.230 -0.000 0.000 0.438 127 G N 3.447 112.477 108.800 0.383 0.000 2.597 127 G HA2 0.476 4.439 3.960 0.005 0.000 0.317 127 G HA3 0.476 4.439 3.960 0.005 0.000 0.317 127 G C -1.592 173.536 174.900 0.380 0.000 1.230 127 G CA -0.551 44.747 45.100 0.330 0.000 0.996 127 G HN 0.424 8.714 8.290 -0.000 0.000 0.490 128 F N 1.294 121.353 119.950 0.181 0.000 2.426 128 F HA 0.442 4.972 4.527 0.004 0.000 0.348 128 F C 0.055 175.943 175.800 0.146 0.000 1.124 128 F CA -1.373 56.737 58.000 0.183 0.000 1.008 128 F CB 1.699 40.790 39.000 0.151 0.000 1.139 128 F HN 0.375 8.675 8.300 -0.000 0.000 0.452 129 N N 6.603 125.043 118.700 -0.434 0.000 2.699 129 N HA 0.055 4.798 4.740 0.005 0.000 0.232 129 N C 0.849 176.001 175.510 -0.596 0.000 1.027 129 N CA -0.266 52.609 53.050 -0.292 0.000 0.920 129 N CB 0.743 39.223 38.487 -0.011 0.000 1.148 129 N HN 0.714 9.094 8.380 -0.000 0.000 0.509 130 K N 2.857 123.015 120.400 -0.403 0.000 2.209 130 K HA -0.178 4.145 4.320 0.005 0.000 0.204 130 K C 1.166 177.703 176.600 -0.106 0.000 1.048 130 K CA 1.116 57.327 56.287 -0.126 0.000 0.940 130 K CB -0.074 32.534 32.500 0.180 0.000 0.729 130 K HN 0.539 8.789 8.250 -0.000 0.000 0.451 131 E N 1.786 121.914 120.200 -0.120 0.000 2.152 131 E HA -0.130 4.223 4.350 0.005 0.000 0.192 131 E C 1.083 177.580 176.600 -0.173 0.000 0.983 131 E CA 0.670 57.007 56.400 -0.104 0.000 0.818 131 E CB 0.161 29.817 29.700 -0.074 0.000 0.758 131 E HN 0.268 8.627 8.360 -0.000 0.000 0.467 132 R N -0.217 120.101 120.500 -0.304 0.000 2.427 132 R HA 0.144 4.487 4.340 0.005 0.000 0.262 132 R C 0.737 176.708 176.300 -0.548 0.000 0.943 132 R CA 0.500 56.316 56.100 -0.473 0.000 1.081 132 R CB 0.253 30.094 30.300 -0.765 0.000 1.166 132 R HN 0.241 8.511 8.270 -0.000 0.000 0.534 133 G N 3.036 111.602 108.800 -0.391 0.000 2.412 133 G HA2 -0.296 3.667 3.960 0.005 0.000 0.297 133 G HA3 -0.296 3.667 3.960 0.005 0.000 0.297 133 G C -0.105 174.678 174.900 -0.195 0.000 0.965 133 G CA 1.343 46.307 45.100 -0.227 0.000 1.134 133 G HN 0.772 9.062 8.290 -0.000 0.000 0.511 134 H N -3.191 115.594 119.070 -0.475 0.000 3.014 134 H HA 0.610 5.169 4.556 0.005 0.000 0.337 134 H C 0.092 175.256 175.328 -0.275 0.000 1.320 134 H CA -1.724 54.187 56.048 -0.228 0.000 1.128 134 H CB 0.963 30.640 29.762 -0.142 0.000 1.862 134 H HN 0.095 8.375 8.280 -0.000 0.000 0.536 135 L N 0.736 122.062 121.223 0.171 0.000 2.479 135 L HA 0.094 4.437 4.340 0.005 0.000 0.270 135 L C 0.019 176.941 176.870 0.086 0.000 1.236 135 L CA 0.531 55.512 54.840 0.235 0.000 0.823 135 L CB 0.389 42.638 42.059 0.316 0.000 1.098 135 L HN 0.675 8.905 8.230 -0.000 0.000 0.500 136 Q N 1.657 121.626 119.800 0.281 0.000 2.476 136 Q HA 0.373 4.716 4.340 0.005 0.000 0.236 136 Q C -1.503 174.664 176.000 0.278 0.000 0.844 136 Q CA -0.315 55.616 55.803 0.213 0.000 0.972 136 Q CB 1.479 30.275 28.738 0.098 0.000 1.498 136 Q HN 0.495 8.764 8.270 -0.000 0.000 0.454 137 I N 2.678 123.420 120.570 0.286 0.000 2.441 137 I HA 0.625 4.798 4.170 0.005 0.000 0.287 137 I C 0.029 176.255 176.117 0.182 0.000 1.049 137 I CA -0.183 61.249 61.300 0.219 0.000 1.381 137 I CB 1.396 39.465 38.000 0.115 0.000 1.409 137 I HN 0.631 8.841 8.210 -0.000 0.000 0.523 138 A N 5.233 128.186 122.820 0.222 0.000 2.393 138 A HA 0.879 5.202 4.320 0.005 0.000 0.306 138 A C -0.728 177.022 177.584 0.278 0.000 1.050 138 A CA -0.610 51.547 52.037 0.201 0.000 0.724 138 A CB 1.523 20.614 19.000 0.152 0.000 1.248 138 A HN 0.763 8.913 8.150 -0.000 0.000 0.424 139 A N 0.877 123.827 122.820 0.217 0.000 2.304 139 A HA 0.620 4.943 4.320 0.005 0.000 0.323 139 A C -0.301 177.437 177.584 0.257 0.000 1.195 139 A CA -0.347 51.847 52.037 0.261 0.000 0.826 139 A CB 0.250 19.340 19.000 0.151 0.000 1.184 139 A HN 1.026 9.176 8.150 -0.000 0.000 0.496 140 C N 3.852 123.374 119.300 0.370 0.000 2.411 140 C HA 0.715 5.178 4.460 0.005 0.000 0.330 140 C C -2.229 172.931 174.990 0.282 0.000 1.224 140 C CA -0.991 58.193 59.018 0.277 0.000 1.770 140 C CB 1.438 29.327 27.740 0.249 0.000 2.297 140 C HN 0.736 8.966 8.230 -0.000 0.000 0.507 141 P HA 0.194 4.614 4.420 -0.000 0.000 0.285 141 P C -0.127 177.340 177.300 0.279 0.000 1.259 141 P CA 0.493 63.706 63.100 0.187 0.000 0.794 141 P CB 0.703 32.478 31.700 0.124 0.000 0.940 142 N N 2.095 120.979 118.700 0.306 0.000 1.170 142 N HA -0.217 4.526 4.740 0.005 0.000 0.121 142 N C 0.449 176.436 175.510 0.796 0.000 0.786 142 N CA 0.996 54.410 53.050 0.605 0.000 0.876 142 N CB -1.335 37.532 38.487 0.634 0.000 1.094 142 N HN 0.560 8.940 8.380 -0.000 0.000 0.586 143 Q N 1.812 121.860 119.800 0.413 0.000 2.286 143 Q HA 0.277 4.620 4.340 0.005 0.000 0.281 143 Q C -1.001 174.977 176.000 -0.037 0.000 0.897 143 Q CA 0.080 55.886 55.803 0.006 0.000 1.023 143 Q CB -0.659 27.707 28.738 -0.619 0.000 1.151 143 Q HN 0.374 8.644 8.270 -0.000 0.000 0.445 144 D N 3.483 123.942 120.400 0.099 0.000 2.346 144 D HA 0.079 4.722 4.640 0.005 0.000 0.260 144 D C -2.117 174.109 176.300 -0.122 0.000 1.252 144 D CA -1.159 52.850 54.000 0.015 0.000 0.895 144 D CB 0.841 41.686 40.800 0.075 0.000 1.097 144 D HN 0.123 8.493 8.370 -0.000 0.000 0.489 145 P HA -0.070 4.350 4.420 -0.000 0.000 0.269 145 P C 0.722 177.736 177.300 -0.477 0.000 1.209 145 P CA -0.545 62.324 63.100 -0.385 0.000 0.776 145 P CB 1.200 32.715 31.700 -0.308 0.000 0.876 146 L N 3.248 123.972 121.223 -0.832 0.000 1.961 146 L HA -0.194 4.149 4.340 0.005 0.000 0.210 146 L C 2.815 179.446 176.870 -0.399 0.000 1.072 146 L CA 2.075 56.466 54.840 -0.748 0.000 0.749 146 L CB -1.309 40.084 42.059 -1.109 0.000 0.889 146 L HN 0.443 8.673 8.230 -0.000 0.000 0.432 147 Q N -1.230 118.362 119.800 -0.347 0.000 2.079 147 Q HA -0.136 4.207 4.340 0.005 0.000 0.200 147 Q C 1.994 177.902 176.000 -0.154 0.000 0.974 147 Q CA 1.358 57.042 55.803 -0.198 0.000 0.840 147 Q CB -0.416 28.224 28.738 -0.164 0.000 0.898 147 Q HN 0.665 8.935 8.270 -0.000 0.000 0.430 148 G N -0.351 108.348 108.800 -0.169 0.000 2.450 148 G HA2 -0.292 3.671 3.960 0.005 0.000 0.220 148 G HA3 -0.292 3.671 3.960 0.005 0.000 0.220 148 G C 1.395 176.236 174.900 -0.098 0.000 1.130 148 G CA 1.586 46.614 45.100 -0.121 0.000 0.760 148 G HN 0.561 8.851 8.290 -0.000 0.000 0.557 149 T N -3.480 111.004 114.554 -0.117 0.000 3.018 149 T HA 0.052 4.405 4.350 0.005 0.000 0.246 149 T C 2.086 176.745 174.700 -0.067 0.000 1.026 149 T CA 1.424 63.477 62.100 -0.078 0.000 1.081 149 T CB 0.048 68.876 68.868 -0.067 0.000 0.970 149 T HN 0.158 8.398 8.240 -0.000 0.000 0.475 150 T N -0.970 113.528 114.554 -0.092 0.000 3.023 150 T HA 0.515 4.868 4.350 0.005 0.000 0.253 150 T C 1.856 176.522 174.700 -0.056 0.000 1.038 150 T CA 0.306 62.367 62.100 -0.064 0.000 0.962 150 T CB 0.130 68.963 68.868 -0.059 0.000 1.018 150 T HN 0.800 9.040 8.240 -0.000 0.000 0.521 151 G N 1.517 110.276 108.800 -0.068 0.000 2.184 151 G HA2 -0.228 3.735 3.960 0.005 0.000 0.264 151 G HA3 -0.228 3.735 3.960 0.005 0.000 0.264 151 G C 0.063 174.944 174.900 -0.032 0.000 0.975 151 G CA -0.022 45.050 45.100 -0.046 0.000 0.642 151 G HN 0.500 8.790 8.290 -0.000 0.000 0.536 152 L N 0.337 121.533 121.223 -0.046 0.000 2.395 152 L HA 0.505 4.848 4.340 0.005 0.000 0.269 152 L C 0.710 177.579 176.870 -0.001 0.000 1.133 152 L CA -0.420 54.416 54.840 -0.006 0.000 0.812 152 L CB 1.048 43.105 42.059 -0.003 0.000 1.125 152 L HN 0.045 8.275 8.230 -0.000 0.000 0.452 153 I N 5.212 125.847 120.570 0.109 0.000 2.325 153 I HA 0.206 4.379 4.170 0.005 0.000 0.291 153 I C -1.873 174.315 176.117 0.118 0.000 1.019 153 I CA -1.929 59.431 61.300 0.099 0.000 1.302 153 I CB 1.170 39.273 38.000 0.173 0.000 1.401 153 I HN 0.313 8.523 8.210 -0.000 0.000 0.485 154 P HA 0.092 4.512 4.420 -0.000 0.000 0.271 154 P C -0.001 177.421 177.300 0.203 0.000 1.233 154 P CA 0.214 63.381 63.100 0.111 0.000 0.764 154 P CB 0.883 32.554 31.700 -0.048 0.000 0.825 155 L N 3.346 124.748 121.223 0.298 0.000 2.453 155 L HA 0.331 4.674 4.340 0.005 0.000 0.190 155 L C 1.115 178.148 176.870 0.272 0.000 1.093 155 L CA 0.279 55.285 54.840 0.275 0.000 0.834 155 L CB -0.087 42.168 42.059 0.327 0.000 1.090 155 L HN 0.283 8.513 8.230 -0.000 0.000 0.489 156 L N 1.330 122.741 121.223 0.314 0.000 2.376 156 L HA 0.710 5.053 4.340 0.005 0.000 0.275 156 L C -0.981 175.971 176.870 0.137 0.000 0.987 156 L CA -0.088 54.877 54.840 0.207 0.000 0.828 156 L CB 1.431 43.618 42.059 0.212 0.000 1.249 156 L HN 0.115 8.345 8.230 -0.000 0.000 0.409 157 G N 5.271 114.011 108.800 -0.100 0.000 2.495 157 G HA2 0.673 4.636 3.960 0.005 0.000 0.318 157 G HA3 0.673 4.636 3.960 0.005 0.000 0.318 157 G C -1.244 173.454 174.900 -0.336 0.000 1.257 157 G CA -0.490 44.166 45.100 -0.739 0.000 0.962 157 G HN 0.542 8.832 8.290 -0.000 0.000 0.483 158 I N 1.446 121.761 120.570 -0.426 0.000 2.389 158 I HA 0.199 4.372 4.170 0.005 0.000 0.288 158 I C -0.744 174.973 176.117 -0.666 0.000 0.999 158 I CA -0.744 60.334 61.300 -0.370 0.000 1.129 158 I CB 2.054 39.850 38.000 -0.340 0.000 1.288 158 I HN 0.275 8.485 8.210 -0.000 0.000 0.444 159 D N 5.546 125.191 120.400 -1.258 0.000 2.343 159 D HA 0.148 4.791 4.640 0.005 0.000 0.255 159 D C 0.646 176.564 176.300 -0.637 0.000 1.187 159 D CA 0.091 53.082 54.000 -1.681 0.000 0.875 159 D CB 1.550 41.226 40.800 -1.873 0.000 1.136 159 D HN 0.359 8.729 8.370 -0.000 0.000 0.469 160 V N 1.390 121.035 119.914 -0.448 0.000 3.380 160 V HA 0.337 4.460 4.120 0.005 0.000 0.307 160 V C 0.397 176.460 176.094 -0.052 0.000 1.434 160 V CA -0.910 61.354 62.300 -0.059 0.000 1.075 160 V CB -0.969 30.834 31.823 -0.033 0.000 0.954 160 V HN 0.308 8.498 8.190 -0.000 0.000 0.444 161 W N 2.258 123.262 121.300 -0.494 0.000 2.391 161 W HA 0.167 4.830 4.660 0.004 0.000 0.339 161 W C 1.572 177.727 176.519 -0.607 0.000 1.252 161 W CA 0.790 57.845 57.345 -0.483 0.000 1.304 161 W CB 0.274 29.337 29.460 -0.662 0.000 1.179 161 W HN 0.311 8.491 8.180 -0.000 0.000 0.567 162 E N 1.079 121.090 120.200 -0.315 0.000 2.209 162 E HA -0.292 4.061 4.350 0.005 0.000 0.196 162 E C 2.016 178.299 176.600 -0.529 0.000 0.993 162 E CA 1.433 57.473 56.400 -0.600 0.000 0.819 162 E CB -0.261 29.259 29.700 -0.299 0.000 0.745 162 E HN 0.613 8.973 8.360 -0.000 0.000 0.477 163 H N -0.776 118.133 119.070 -0.268 0.000 2.543 163 H HA 0.088 4.647 4.556 0.005 0.000 0.286 163 H C 1.582 176.671 175.328 -0.398 0.000 1.037 163 H CA 1.001 56.877 56.048 -0.287 0.000 1.250 163 H CB 0.032 29.522 29.762 -0.453 0.000 1.373 163 H HN 0.143 8.423 8.280 -0.000 0.000 0.580 164 A N 0.678 123.138 122.820 -0.600 0.000 2.081 164 A HA 0.045 4.368 4.320 0.005 0.000 0.214 164 A C 1.480 178.894 177.584 -0.284 0.000 1.158 164 A CA 0.645 52.459 52.037 -0.371 0.000 0.724 164 A CB -0.291 18.480 19.000 -0.381 0.000 0.826 164 A HN 0.645 8.795 8.150 -0.000 0.000 0.463 165 Y N -7.023 113.045 120.300 -0.386 0.000 2.460 165 Y HA 0.307 4.859 4.550 0.003 0.000 0.276 165 Y C 1.720 177.617 175.900 -0.006 0.000 1.119 165 Y CA -0.403 57.541 58.100 -0.261 0.000 1.181 165 Y CB -0.275 37.813 38.460 -0.620 0.000 1.304 165 Y HN 0.005 8.285 8.280 -0.000 0.000 0.536 166 Y N 2.058 122.185 120.300 -0.288 0.000 2.132 166 Y HA -0.274 4.282 4.550 0.010 0.000 0.280 166 Y C 1.984 177.887 175.900 0.005 0.000 1.193 166 Y CA 2.336 60.381 58.100 -0.092 0.000 1.157 166 Y CB -0.272 38.058 38.460 -0.217 0.000 0.966 166 Y HN 0.251 8.531 8.280 -0.000 0.000 0.511 167 L N -0.483 120.800 121.223 0.101 0.000 2.456 167 L HA -0.193 4.150 4.340 0.005 0.000 0.224 167 L C 2.189 179.041 176.870 -0.031 0.000 1.148 167 L CA 1.273 56.149 54.840 0.060 0.000 0.825 167 L CB -0.208 41.886 42.059 0.059 0.000 0.937 167 L HN 0.383 8.613 8.230 -0.000 0.000 0.450 168 Q N -1.727 118.023 119.800 -0.082 0.000 2.642 168 Q HA -0.008 4.335 4.340 0.005 0.000 0.202 168 Q C 1.547 177.301 176.000 -0.409 0.000 0.845 168 Q CA 0.073 55.711 55.803 -0.275 0.000 0.873 168 Q CB 0.076 28.587 28.738 -0.378 0.000 1.190 168 Q HN 0.312 8.582 8.270 -0.000 0.000 0.642 169 Y N 1.463 121.768 120.300 0.008 0.000 2.546 169 Y HA 0.148 4.699 4.550 0.001 0.000 0.287 169 Y C 0.564 176.376 175.900 -0.146 0.000 1.158 169 Y CA 0.348 58.433 58.100 -0.026 0.000 1.307 169 Y CB 0.112 38.581 38.460 0.014 0.000 1.036 169 Y HN 0.134 8.414 8.280 -0.000 0.000 0.532 170 K N -0.195 120.041 120.400 -0.272 0.000 1.939 170 K HA -0.414 3.909 4.320 0.005 0.000 0.165 170 K C 0.962 177.189 176.600 -0.622 0.000 1.508 170 K CA 1.736 57.543 56.287 -0.799 0.000 0.525 170 K CB -1.252 31.015 32.500 -0.389 0.000 0.615 170 K HN 0.558 8.808 8.250 -0.000 0.000 0.888 171 N N 0.606 119.126 118.700 -0.300 0.000 2.588 171 N HA -0.080 4.663 4.740 0.005 0.000 0.190 171 N C 0.252 175.793 175.510 0.051 0.000 1.094 171 N CA 0.927 53.990 53.050 0.022 0.000 0.921 171 N CB -0.150 38.379 38.487 0.071 0.000 0.959 171 N HN 0.198 8.578 8.380 -0.000 0.000 0.448 172 V N 1.102 121.023 119.914 0.012 0.000 2.096 172 V HA 0.148 4.271 4.120 0.005 0.000 0.259 172 V C 1.661 177.638 176.094 -0.195 0.000 1.420 172 V CA -0.485 61.798 62.300 -0.028 0.000 1.336 172 V CB -0.126 31.711 31.823 0.024 0.000 1.394 172 V HN 0.325 8.515 8.190 -0.000 0.000 0.494 173 R N 4.605 124.921 120.500 -0.307 0.000 2.112 173 R HA -0.127 4.216 4.340 0.005 0.000 0.242 173 R C -0.333 175.696 176.300 -0.452 0.000 1.137 173 R CA 2.264 57.946 56.100 -0.696 0.000 0.944 173 R CB -0.858 29.203 30.300 -0.397 0.000 0.857 173 R HN 0.569 8.839 8.270 -0.000 0.000 0.435 174 P HA -0.116 4.304 4.420 -0.000 0.000 0.228 174 P C -0.009 177.155 177.300 -0.227 0.000 1.151 174 P CA 1.212 64.191 63.100 -0.203 0.000 0.770 174 P CB 0.030 31.657 31.700 -0.123 0.000 0.786 175 D N -1.051 119.191 120.400 -0.264 0.000 2.137 175 D HA -0.132 4.511 4.640 0.005 0.000 0.202 175 D C 1.913 177.819 176.300 -0.658 0.000 0.970 175 D CA 0.802 54.642 54.000 -0.267 0.000 0.837 175 D CB -0.987 39.805 40.800 -0.013 0.000 0.981 175 D HN 0.139 8.509 8.370 -0.000 0.000 0.475 176 Y N 1.586 121.121 120.300 -1.275 0.000 2.081 176 Y HA -0.218 4.333 4.550 0.002 0.000 0.280 176 Y C 1.995 177.515 175.900 -0.633 0.000 1.163 176 Y CA 1.283 58.587 58.100 -1.326 0.000 1.135 176 Y CB -0.508 37.352 38.460 -1.000 0.000 0.970 176 Y HN -0.098 8.182 8.280 -0.000 0.000 0.498 177 L N 0.715 121.521 121.223 -0.695 0.000 2.083 177 L HA -0.193 4.150 4.340 0.005 0.000 0.209 177 L C 2.359 178.961 176.870 -0.446 0.000 1.083 177 L CA 2.095 56.547 54.840 -0.647 0.000 0.752 177 L CB -1.288 40.556 42.059 -0.359 0.000 0.899 177 L HN 0.294 8.524 8.230 -0.000 0.000 0.433 178 K N 0.264 120.523 120.400 -0.234 0.000 2.025 178 K HA -0.053 4.270 4.320 0.005 0.000 0.207 178 K C 2.069 178.650 176.600 -0.032 0.000 1.049 178 K CA 1.509 57.791 56.287 -0.008 0.000 0.933 178 K CB -0.385 32.120 32.500 0.008 0.000 0.714 178 K HN 0.178 8.428 8.250 -0.000 0.000 0.438 179 A N 1.529 124.273 122.820 -0.127 0.000 1.903 179 A HA -0.212 4.111 4.320 0.005 0.000 0.219 179 A C 2.193 179.650 177.584 -0.213 0.000 1.191 179 A CA 1.810 53.823 52.037 -0.040 0.000 0.638 179 A CB -0.807 18.262 19.000 0.116 0.000 0.823 179 A HN 0.394 8.544 8.150 -0.000 0.000 0.451 180 I N -1.328 118.980 120.570 -0.437 0.000 2.185 180 I HA -0.296 3.877 4.170 0.005 0.000 0.246 180 I C 2.276 178.094 176.117 -0.499 0.000 1.088 180 I CA 1.514 62.465 61.300 -0.582 0.000 1.347 180 I CB -1.156 36.269 38.000 -0.958 0.000 1.041 180 I HN 0.649 8.859 8.210 -0.000 0.000 0.415 181 W N 1.073 122.269 121.300 -0.174 0.000 2.331 181 W HA -0.266 4.395 4.660 0.002 0.000 0.291 181 W C 2.273 178.757 176.519 -0.059 0.000 1.214 181 W CA 1.322 58.637 57.345 -0.049 0.000 1.228 181 W CB -0.944 28.526 29.460 0.017 0.000 1.135 181 W HN 0.297 8.477 8.180 -0.000 0.000 0.537 182 N N -0.287 118.394 118.700 -0.031 0.000 2.381 182 N HA -0.109 4.634 4.740 0.005 0.000 0.182 182 N C 1.171 176.567 175.510 -0.190 0.000 1.025 182 N CA 1.422 54.357 53.050 -0.192 0.000 0.888 182 N CB -0.200 37.900 38.487 -0.645 0.000 0.965 182 N HN 0.027 8.407 8.380 -0.000 0.000 0.438 183 V N -1.088 118.696 119.914 -0.217 0.000 3.376 183 V HA 0.270 4.393 4.120 0.005 0.000 0.313 183 V C 0.228 176.192 176.094 -0.217 0.000 1.393 183 V CA -0.188 62.007 62.300 -0.174 0.000 1.125 183 V CB -0.331 31.387 31.823 -0.175 0.000 1.037 183 V HN 0.106 8.296 8.190 -0.000 0.000 0.440 184 I N 3.258 123.689 120.570 -0.232 0.000 2.406 184 I HA 0.175 4.347 4.170 0.005 0.000 0.293 184 I C 0.671 176.458 176.117 -0.550 0.000 1.101 184 I CA 0.172 61.197 61.300 -0.457 0.000 1.334 184 I CB -0.180 37.439 38.000 -0.634 0.000 1.421 184 I HN 0.305 8.515 8.210 -0.000 0.000 0.513 185 N N 5.941 124.419 118.700 -0.370 0.000 2.543 185 N HA -0.051 4.692 4.740 0.005 0.000 0.289 185 N C 0.891 176.280 175.510 -0.202 0.000 1.223 185 N CA 0.081 53.002 53.050 -0.213 0.000 1.080 185 N CB 0.011 38.444 38.487 -0.089 0.000 1.450 185 N HN 0.428 8.808 8.380 -0.000 0.000 0.501 186 W N 1.174 122.518 121.300 0.073 0.000 2.364 186 W HA -0.182 4.480 4.660 0.004 0.000 0.281 186 W C 1.696 178.246 176.519 0.052 0.000 1.219 186 W CA 0.306 57.691 57.345 0.068 0.000 1.220 186 W CB 0.124 29.609 29.460 0.043 0.000 1.127 186 W HN 0.517 8.697 8.180 -0.000 0.000 0.556 187 E N -0.187 120.138 120.200 0.207 0.000 2.118 187 E HA -0.260 4.093 4.350 0.005 0.000 0.195 187 E C 1.817 178.490 176.600 0.122 0.000 0.992 187 E CA 1.591 58.076 56.400 0.141 0.000 0.804 187 E CB -0.645 29.114 29.700 0.099 0.000 0.741 187 E HN 0.338 8.698 8.360 -0.000 0.000 0.458 188 N N 0.424 119.182 118.700 0.097 0.000 2.278 188 N HA -0.092 4.651 4.740 0.005 0.000 0.181 188 N C 1.792 177.371 175.510 0.115 0.000 1.023 188 N CA 1.010 54.112 53.050 0.087 0.000 0.862 188 N CB 0.156 38.679 38.487 0.060 0.000 1.003 188 N HN 0.051 8.431 8.380 -0.000 0.000 0.431 189 V N 1.538 121.523 119.914 0.119 0.000 2.370 189 V HA -0.244 3.879 4.120 0.005 0.000 0.252 189 V C 2.363 178.618 176.094 0.269 0.000 1.068 189 V CA 2.142 64.557 62.300 0.192 0.000 1.061 189 V CB -1.171 30.777 31.823 0.209 0.000 0.656 189 V HN 0.421 8.611 8.190 -0.000 0.000 0.455 190 T N -0.848 113.868 114.554 0.270 0.000 2.746 190 T HA -0.240 4.113 4.350 0.005 0.000 0.267 190 T C 1.886 176.727 174.700 0.234 0.000 1.039 190 T CA 1.763 64.027 62.100 0.273 0.000 1.142 190 T CB -0.233 68.759 68.868 0.206 0.000 0.866 190 T HN 0.592 8.832 8.240 -0.000 0.000 0.444 191 E N 0.595 120.884 120.200 0.148 0.000 2.160 191 E HA -0.127 4.226 4.350 0.005 0.000 0.195 191 E C 2.433 179.061 176.600 0.046 0.000 0.991 191 E CA 0.889 57.339 56.400 0.084 0.000 0.810 191 E CB 0.086 29.828 29.700 0.070 0.000 0.742 191 E HN 0.406 8.766 8.360 -0.000 0.000 0.466 192 R N -0.808 119.741 120.500 0.082 0.000 2.073 192 R HA -0.134 4.209 4.340 0.005 0.000 0.229 192 R C 2.276 178.574 176.300 -0.004 0.000 1.120 192 R CA 1.226 57.357 56.100 0.052 0.000 0.967 192 R CB -0.506 29.858 30.300 0.106 0.000 0.862 192 R HN 0.257 8.527 8.270 -0.000 0.000 0.436 193 Y N 1.922 122.208 120.300 -0.023 0.000 2.030 193 Y HA -0.281 4.272 4.550 0.005 0.000 0.274 193 Y C 2.261 178.042 175.900 -0.198 0.000 1.153 193 Y CA 1.646 59.687 58.100 -0.097 0.000 1.115 193 Y CB -0.254 38.205 38.460 -0.001 0.000 0.969 193 Y HN -0.129 8.151 8.280 -0.000 0.000 0.488 194 M N 0.482 119.797 119.600 -0.475 0.000 2.106 194 M HA -0.215 4.268 4.480 0.005 0.000 0.259 194 M C 2.496 178.575 176.300 -0.369 0.000 1.068 194 M CA 1.749 56.782 55.300 -0.445 0.000 1.100 194 M CB -2.103 30.422 32.600 -0.125 0.000 1.351 194 M HN 0.499 8.789 8.290 -0.000 0.000 0.404 195 A N -0.159 122.511 122.820 -0.249 0.000 2.009 195 A HA -0.239 4.084 4.320 0.005 0.000 0.222 195 A C 2.492 179.937 177.584 -0.232 0.000 1.175 195 A CA 2.141 54.064 52.037 -0.191 0.000 0.651 195 A CB -1.324 17.604 19.000 -0.120 0.000 0.815 195 A HN 0.642 8.792 8.150 -0.000 0.000 0.459 196 C N -0.834 118.221 119.300 -0.408 0.000 2.446 196 C HA 0.108 4.571 4.460 0.005 0.000 0.279 196 C C 1.039 175.827 174.990 -0.338 0.000 1.366 196 C CA 0.191 58.924 59.018 -0.476 0.000 1.763 196 C CB -1.233 25.811 27.740 -1.161 0.000 1.929 196 C HN 0.836 9.066 8.230 -0.000 0.000 0.509 197 K N 1.437 121.621 120.400 -0.360 0.000 4.989 197 K HA -0.224 4.099 4.320 0.005 0.000 0.313 197 K C -0.207 176.374 176.600 -0.032 0.000 0.687 197 K CA 1.010 57.189 56.287 -0.181 0.000 0.840 197 K CB -1.515 30.905 32.500 -0.133 0.000 2.050 197 K HN 0.514 8.764 8.250 -0.000 0.000 0.358 198 K N 0.000 120.426 120.400 0.043 0.000 2.780 198 K HA 0.000 4.323 4.320 0.005 0.000 0.191 198 K CA 0.000 56.366 56.287 0.132 0.000 0.838 198 K CB 0.000 32.534 32.500 0.057 0.000 1.064 198 K HN 0.000 8.250 8.250 -0.000 0.000 0.543