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 3l8w_1_A DATA FIRST_RESID 1 DATA SEQUENCE SAVKAARYGK DNVRVYKVHK DEKTGVQTVY EMTVCVLLEG EIETSYTKAD DATA SEQUENCE NSVIVATDSI KNTIYITAKQ NPVTPPELFG SILGTHFIEK YNHIHAAHVN DATA SEQUENCE IVCHRWTRMD IDGKPHPHSF IRDSEEKRNV QVDVVEGKGI DIKSSLSGLT DATA SEQUENCE VLKSTNSQFW GFLRDEYTTL KETWDRILST DVDATWQWKN FSGLQEVRSH DATA SEQUENCE VPKFDATWAT AREVTLKTFA EDNSASVQAT MYKMAEQILA RQQLIETVEY DATA SEQUENCE SLPNKHYFEI DLSWHKGLQN TGKNAEVFAP QSDPNGLIKC TVGRS 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 S HA 0.000 4.465 4.470 -0.009 0.000 0.327 1 S C 0.000 174.595 174.600 -0.008 0.000 1.055 1 S CA 0.000 58.196 58.200 -0.007 0.000 1.107 1 S CB 0.000 63.196 63.200 -0.006 0.000 0.593 2 A N 1.712 124.523 122.820 -0.016 0.000 2.604 2 A HA 0.257 4.569 4.320 -0.014 0.000 0.295 2 A C -1.688 175.870 177.584 -0.042 0.000 1.067 2 A CA 0.066 52.091 52.037 -0.020 0.000 0.683 2 A CB 1.198 20.189 19.000 -0.016 0.000 1.281 2 A HN 0.067 8.206 8.150 -0.019 0.000 0.407 3 V N 0.790 120.669 119.914 -0.058 0.000 2.479 3 V HA -0.100 3.940 4.120 -0.133 0.000 0.281 3 V C 0.033 176.075 176.094 -0.088 0.000 1.031 3 V CA 0.549 62.781 62.300 -0.114 0.000 1.038 3 V CB -0.794 30.923 31.823 -0.177 0.000 0.981 3 V HN 0.314 8.478 8.190 -0.043 0.000 0.478 4 K N 7.326 127.673 120.400 -0.089 0.000 2.242 4 K HA -0.077 4.215 4.320 -0.047 0.000 0.200 4 K C 0.162 176.723 176.600 -0.065 0.000 1.050 4 K CA 0.005 56.255 56.287 -0.062 0.000 0.981 4 K CB 0.415 32.886 32.500 -0.049 0.000 0.795 4 K HN 0.584 8.773 8.250 -0.101 0.000 0.477 5 A N -1.667 121.095 122.820 -0.098 0.000 2.574 5 A HA 0.162 4.445 4.320 -0.062 0.000 0.297 5 A C -2.463 175.031 177.584 -0.151 0.000 1.062 5 A CA -0.310 51.674 52.037 -0.088 0.000 0.686 5 A CB 1.887 20.847 19.000 -0.065 0.000 1.285 5 A HN -0.443 7.633 8.150 -0.124 0.000 0.403 6 A N 1.599 124.357 122.820 -0.104 0.000 2.566 6 A HA 0.421 4.656 4.320 -0.141 0.000 0.297 6 A C -2.575 175.043 177.584 0.056 0.000 1.059 6 A CA 0.323 52.291 52.037 -0.114 0.000 0.691 6 A CB 2.002 20.807 19.000 -0.325 0.000 1.282 6 A HN 0.253 8.372 8.150 -0.052 0.000 0.401 7 R N -0.106 120.472 120.500 0.131 0.000 2.680 7 R HA 0.974 5.623 4.340 0.224 -0.174 0.269 7 R C -2.227 174.227 176.300 0.257 0.000 1.026 7 R CA -1.002 55.202 56.100 0.172 0.000 0.889 7 R CB 2.899 33.237 30.300 0.062 0.000 1.241 7 R HN -0.000 8.343 8.270 0.122 0.000 0.463 8 Y N -3.191 117.127 120.300 0.029 0.000 2.624 8 Y HA 0.297 4.852 4.550 0.007 0.000 0.334 8 Y C -2.444 173.419 175.900 -0.063 0.000 1.155 8 Y CA -0.887 57.213 58.100 0.001 0.000 1.046 8 Y CB 2.120 40.590 38.460 0.017 0.000 1.316 8 Y HN 0.077 8.354 8.280 -0.005 0.000 0.457 9 G N -0.294 108.277 108.800 -0.382 0.000 2.399 9 G HA2 0.024 3.618 3.960 -0.611 0.000 0.256 9 G HA3 0.024 3.927 3.960 -0.486 -0.234 0.256 9 G C -2.410 172.387 174.900 -0.171 0.000 1.236 9 G CA 0.576 45.407 45.100 -0.449 0.000 0.914 9 G HN -0.099 8.138 8.290 -0.088 0.000 0.482 10 K N 1.521 121.819 120.400 -0.171 0.000 2.323 10 K HA 0.392 4.678 4.320 -0.057 0.000 0.259 10 K C -1.841 174.713 176.600 -0.076 0.000 0.947 10 K CA -1.994 54.239 56.287 -0.089 0.000 0.819 10 K CB 2.619 35.073 32.500 -0.076 0.000 1.109 10 K HN -0.110 8.004 8.250 -0.226 0.000 0.429 11 D N 3.287 123.662 120.400 -0.042 0.000 2.326 11 D HA 0.132 4.751 4.640 -0.034 0.000 0.248 11 D C -0.411 175.884 176.300 -0.007 0.000 1.001 11 D CA -1.423 52.561 54.000 -0.027 0.000 0.961 11 D CB 2.260 43.048 40.800 -0.019 0.000 1.183 11 D HN 0.068 8.419 8.370 -0.031 0.000 0.502 12 N N -2.455 116.248 118.700 0.005 0.000 2.758 12 N HA -0.383 4.379 4.740 0.036 0.000 0.248 12 N C -0.966 174.566 175.510 0.036 0.000 1.076 12 N CA 1.051 54.117 53.050 0.026 0.000 0.696 12 N CB -0.993 37.509 38.487 0.024 0.000 0.979 12 N HN 0.152 8.533 8.380 0.002 0.000 0.550 13 V N 0.695 120.623 119.914 0.024 0.000 2.372 13 V HA 0.004 4.149 4.120 0.042 0.000 0.261 13 V C -0.633 175.508 176.094 0.078 0.000 1.055 13 V CA -0.776 61.536 62.300 0.021 0.000 0.930 13 V CB -1.517 30.258 31.823 -0.079 0.000 1.031 13 V HN -0.243 7.954 8.190 0.012 0.000 0.479 14 R N 8.124 128.705 120.500 0.135 0.000 2.390 14 R HA 0.266 4.866 4.340 0.173 -0.157 0.291 14 R C -1.038 175.417 176.300 0.258 0.000 1.070 14 R CA 0.240 56.446 56.100 0.176 0.000 1.014 14 R CB 0.835 31.219 30.300 0.141 0.000 1.007 14 R HN 0.258 8.608 8.270 0.134 0.000 0.466 15 V N 3.995 124.059 119.914 0.251 0.000 2.733 15 V HA 0.251 4.596 4.120 0.375 0.000 0.306 15 V C -1.992 174.262 176.094 0.267 0.000 1.084 15 V CA -1.830 60.643 62.300 0.288 0.000 0.905 15 V CB 3.230 35.177 31.823 0.207 0.000 1.010 15 V HN 0.292 8.619 8.190 0.228 0.000 0.424 16 Y N 8.400 128.766 120.300 0.109 0.000 2.468 16 Y HA 0.797 5.589 4.550 0.109 -0.177 0.342 16 Y C -1.483 174.444 175.900 0.044 0.000 1.021 16 Y CA -1.840 56.308 58.100 0.080 0.000 1.079 16 Y CB 3.098 41.586 38.460 0.048 0.000 1.226 16 Y HN 0.181 8.662 8.280 0.336 0.000 0.460 17 K N 6.912 127.099 120.400 -0.355 0.000 2.464 17 K HA 0.380 4.624 4.320 -0.127 0.000 0.253 17 K C -2.728 173.575 176.600 -0.495 0.000 0.933 17 K CA -1.350 54.772 56.287 -0.276 0.000 0.801 17 K CB 4.521 36.947 32.500 -0.123 0.000 1.271 17 K HN 0.587 8.561 8.250 -0.461 0.000 0.430 18 V N 5.076 124.832 119.914 -0.264 0.000 2.628 18 V HA 0.562 4.698 4.120 -0.251 -0.167 0.306 18 V C -1.360 174.760 176.094 0.042 0.000 1.045 18 V CA -2.874 59.332 62.300 -0.156 0.000 0.905 18 V CB 2.175 33.970 31.823 -0.047 0.000 0.997 18 V HN 0.224 8.341 8.190 -0.121 0.000 0.436 19 H N 9.237 128.315 119.070 0.013 0.000 2.481 19 H HA 0.323 4.901 4.556 0.037 0.000 0.333 19 H C -1.854 173.498 175.328 0.040 0.000 1.066 19 H CA -1.304 54.774 56.048 0.050 0.000 1.209 19 H CB 2.452 32.283 29.762 0.115 0.000 1.445 19 H HN 0.584 8.948 8.280 0.141 0.000 0.488 20 K N 7.286 127.362 120.400 -0.540 0.000 2.394 20 K HA 0.134 4.364 4.320 -0.150 0.000 0.260 20 K C -1.717 174.629 176.600 -0.422 0.000 0.967 20 K CA -1.158 54.939 56.287 -0.316 0.000 0.855 20 K CB 1.672 34.076 32.500 -0.160 0.000 1.101 20 K HN 0.313 8.170 8.250 -0.654 0.000 0.433 21 D N 5.669 125.969 120.400 -0.166 0.000 2.365 21 D HA 0.022 4.624 4.640 -0.063 0.000 0.237 21 D C -0.196 176.086 176.300 -0.029 0.000 1.190 21 D CA -0.572 53.405 54.000 -0.039 0.000 0.867 21 D CB 1.245 42.100 40.800 0.093 0.000 1.050 21 D HN 0.219 8.552 8.370 -0.061 0.000 0.491 22 E N 6.210 126.386 120.200 -0.040 0.000 2.481 22 E HA -0.082 4.253 4.350 -0.025 0.000 0.195 22 E C 1.519 178.115 176.600 -0.007 0.000 1.047 22 E CA 1.148 57.533 56.400 -0.025 0.000 0.867 22 E CB -0.627 29.055 29.700 -0.030 0.000 0.858 22 E HN 0.552 8.883 8.360 -0.049 0.000 0.513 23 K N -0.929 119.473 120.400 0.004 0.000 2.186 23 K HA -0.042 4.278 4.320 -0.000 0.000 0.202 23 K C 1.033 177.638 176.600 0.010 0.000 1.052 23 K CA 1.160 57.452 56.287 0.008 0.000 0.965 23 K CB 0.180 32.688 32.500 0.014 0.000 0.746 23 K HN 0.192 nan 8.250 nan 0.000 0.457 24 T N -6.086 108.478 114.554 0.016 0.000 2.990 24 T HA 0.058 4.413 4.350 0.007 0.000 0.250 24 T C 1.509 176.214 174.700 0.009 0.000 1.041 24 T CA 0.252 62.360 62.100 0.014 0.000 1.010 24 T CB 2.335 71.217 68.868 0.023 0.000 1.003 24 T HN -0.368 8.182 8.240 0.021 -0.298 0.499 25 G N 2.804 111.612 108.800 0.014 0.000 2.176 25 G HA2 -0.397 3.601 3.960 0.017 0.000 0.253 25 G HA3 -0.397 3.573 3.960 0.018 0.000 0.253 25 G C -1.306 173.621 174.900 0.045 0.000 0.979 25 G CA 0.554 45.666 45.100 0.021 0.000 0.641 25 G HN 0.117 8.415 8.290 0.014 0.000 0.530 26 V N 2.692 122.633 119.914 0.046 0.000 2.508 26 V HA -0.179 4.092 4.120 0.055 -0.118 0.281 26 V C -0.951 175.215 176.094 0.121 0.000 1.041 26 V CA 0.022 62.364 62.300 0.071 0.000 1.016 26 V CB -0.919 30.942 31.823 0.063 0.000 0.984 26 V HN -0.905 7.223 8.190 0.039 0.086 0.478 27 Q N 7.399 127.303 119.800 0.174 0.000 2.306 27 Q HA 0.953 5.571 4.340 0.155 -0.185 0.265 27 Q C -0.318 175.860 176.000 0.296 0.000 1.022 27 Q CA -1.499 54.430 55.803 0.210 0.000 0.853 27 Q CB 3.816 32.685 28.738 0.219 0.000 1.327 27 Q HN 0.792 9.169 8.270 0.178 0.000 0.449 28 T N 2.714 117.366 114.554 0.163 0.000 2.886 28 T HA 0.359 4.745 4.350 0.060 0.000 0.292 28 T C -2.216 172.213 174.700 -0.451 0.000 1.012 28 T CA -0.716 61.352 62.100 -0.053 0.000 0.982 28 T CB 2.465 71.316 68.868 -0.030 0.000 1.018 28 T HN 0.638 8.967 8.240 0.148 0.000 0.451 29 V N 0.989 120.349 119.914 -0.923 0.000 2.815 29 V HA 0.902 4.697 4.120 -0.805 -0.158 0.314 29 V C -2.411 173.053 176.094 -1.051 0.000 1.064 29 V CA -3.050 58.658 62.300 -0.986 0.000 0.952 29 V CB 2.386 33.568 31.823 -1.068 0.000 1.020 29 V HN 0.267 7.834 8.190 -1.039 0.000 0.439 30 Y N -0.307 119.754 120.300 -0.398 0.000 2.457 30 Y HA 0.261 4.750 4.550 -0.101 0.000 0.343 30 Y C -1.813 174.025 175.900 -0.103 0.000 0.994 30 Y CA -1.472 56.510 58.100 -0.197 0.000 1.031 30 Y CB 3.418 41.739 38.460 -0.231 0.000 1.246 30 Y HN 0.233 8.180 8.280 -0.554 0.000 0.449 31 E N 2.727 123.065 120.200 0.230 0.000 2.308 31 E HA 0.961 5.659 4.350 0.260 -0.192 0.275 31 E C -1.800 174.955 176.600 0.258 0.000 0.890 31 E CA -1.471 55.114 56.400 0.308 0.000 0.754 31 E CB 4.097 34.121 29.700 0.539 0.000 1.207 31 E HN 0.552 9.042 8.360 0.217 0.000 0.426 32 M N 2.246 121.996 119.600 0.249 0.000 2.618 32 M HA 0.995 5.640 4.480 0.006 -0.161 0.281 32 M C -1.990 174.447 176.300 0.228 0.000 1.267 32 M CA -1.251 54.127 55.300 0.129 0.000 0.845 32 M CB 4.958 37.555 32.600 -0.004 0.000 1.732 32 M HN 0.886 9.326 8.290 0.250 0.000 0.461 33 T N 2.812 117.456 114.554 0.151 0.000 2.824 33 T HA 0.622 5.252 4.350 0.159 -0.185 0.282 33 T C -1.348 173.389 174.700 0.062 0.000 0.993 33 T CA -0.592 61.599 62.100 0.152 0.000 0.967 33 T CB 1.897 70.891 68.868 0.211 0.000 0.960 33 T HN 0.410 8.655 8.240 0.008 0.000 0.441 34 V N 5.633 125.581 119.914 0.055 0.000 2.680 34 V HA 0.725 5.047 4.120 0.033 -0.182 0.309 34 V C -1.995 174.101 176.094 0.002 0.000 1.052 34 V CA -2.507 59.815 62.300 0.036 0.000 0.908 34 V CB 3.234 35.098 31.823 0.069 0.000 1.001 34 V HN 0.590 8.706 8.190 0.061 0.111 0.431 35 C N 7.137 126.428 119.300 -0.014 0.000 2.441 35 C HA 0.818 5.430 4.460 -0.048 -0.181 0.318 35 C C -1.923 173.027 174.990 -0.065 0.000 1.222 35 C CA -2.203 56.791 59.018 -0.041 0.000 1.474 35 C CB 2.451 30.169 27.740 -0.037 0.000 2.125 35 C HN 0.612 8.837 8.230 -0.009 0.000 0.479 36 V N 8.244 128.088 119.914 -0.117 0.000 2.483 36 V HA 0.777 5.005 4.120 -0.145 -0.194 0.297 36 V C -1.961 173.973 176.094 -0.265 0.000 1.027 36 V CA -1.461 60.724 62.300 -0.191 0.000 0.855 36 V CB 2.285 33.953 31.823 -0.259 0.000 0.995 36 V HN 0.412 8.528 8.190 -0.123 0.000 0.424 37 L N 5.938 127.034 121.223 -0.211 0.000 2.341 37 L HA 0.482 4.765 4.340 -0.356 -0.158 0.278 37 L C -1.408 175.328 176.870 -0.224 0.000 1.005 37 L CA -1.256 53.446 54.840 -0.231 0.000 0.818 37 L CB 2.329 44.335 42.059 -0.087 0.000 1.259 37 L HN 0.353 8.504 8.230 -0.132 0.000 0.418 38 L N 1.724 122.711 121.223 -0.393 0.000 2.334 38 L HA 0.665 4.998 4.340 -0.266 -0.152 0.272 38 L C -0.572 176.255 176.870 -0.071 0.000 1.020 38 L CA -1.554 53.101 54.840 -0.308 0.000 0.812 38 L CB 2.135 43.903 42.059 -0.484 0.000 1.264 38 L HN 0.702 8.587 8.230 -0.575 0.000 0.439 39 E N -1.492 118.699 120.200 -0.015 0.000 2.312 39 E HA 0.413 4.836 4.350 0.122 0.000 0.267 39 E C -0.960 175.653 176.600 0.022 0.000 0.894 39 E CA -1.673 54.772 56.400 0.075 0.000 0.773 39 E CB 4.272 34.053 29.700 0.135 0.000 1.241 39 E HN -0.050 8.263 8.360 -0.078 0.000 0.432 40 G N -0.053 108.791 108.800 0.072 0.000 2.455 40 G HA2 -0.029 4.040 3.960 0.182 0.000 0.223 40 G HA3 -0.029 4.009 3.960 -0.131 -0.157 0.223 40 G C -1.455 173.529 174.900 0.141 0.000 1.226 40 G CA 0.516 45.650 45.100 0.057 0.000 0.948 40 G HN 0.230 8.586 8.290 0.111 0.000 0.478 41 E N 2.555 122.847 120.200 0.154 0.000 2.148 41 E HA 0.023 4.483 4.350 0.183 0.000 0.308 41 E C -0.408 176.323 176.600 0.218 0.000 1.278 41 E CA 0.086 56.611 56.400 0.208 0.000 1.368 41 E CB -1.322 28.521 29.700 0.237 0.000 1.229 41 E HN -0.086 8.309 8.360 0.059 0.000 0.494 42 I N -5.837 114.845 120.570 0.186 0.000 4.154 42 I HA 0.431 4.699 4.170 0.163 0.000 0.334 42 I C 0.674 176.920 176.117 0.216 0.000 1.371 42 I CA -0.768 60.643 61.300 0.184 0.000 1.110 42 I CB 1.690 39.806 38.000 0.193 0.000 1.085 42 I HN -0.355 7.902 8.210 0.170 0.055 0.398 43 E N 2.717 123.024 120.200 0.179 0.000 2.160 43 E HA -0.370 4.128 4.350 0.246 0.000 0.195 43 E C 1.098 177.814 176.600 0.194 0.000 0.991 43 E CA 3.531 60.040 56.400 0.182 0.000 0.810 43 E CB -0.919 28.824 29.700 0.072 0.000 0.742 43 E HN 0.022 8.468 8.360 0.143 0.000 0.466 44 T N -3.253 111.366 114.554 0.108 0.000 3.051 44 T HA -0.098 4.291 4.350 0.064 0.000 0.269 44 T C 1.800 176.515 174.700 0.025 0.000 1.127 44 T CA 2.559 64.694 62.100 0.060 0.000 1.107 44 T CB -0.580 68.303 68.868 0.025 0.000 0.898 44 T HN 0.230 8.506 8.240 0.096 0.021 0.517 45 S N 3.200 118.898 115.700 -0.004 0.000 2.402 45 S HA -0.250 4.263 4.470 -0.143 -0.128 0.229 45 S C 1.484 175.963 174.600 -0.203 0.000 1.021 45 S CA 3.478 61.578 58.200 -0.166 0.000 0.974 45 S CB -0.526 62.476 63.200 -0.329 0.000 0.800 45 S HN -0.273 8.024 8.310 0.040 0.037 0.484 46 Y N 1.204 121.468 120.300 -0.059 0.000 2.269 46 Y HA -0.073 4.447 4.550 -0.050 0.000 0.294 46 Y C 2.327 178.208 175.900 -0.031 0.000 1.120 46 Y CA 2.667 60.740 58.100 -0.045 0.000 1.159 46 Y CB 0.429 38.868 38.460 -0.034 0.000 1.024 46 Y HN -0.549 7.750 8.280 0.234 0.122 0.532 47 T N -5.379 109.258 114.554 0.138 0.000 3.051 47 T HA -0.004 4.389 4.350 0.072 0.000 0.255 47 T C 0.969 175.689 174.700 0.034 0.000 1.085 47 T CA 1.553 63.697 62.100 0.073 0.000 1.109 47 T CB 1.027 69.930 68.868 0.058 0.000 0.921 47 T HN -0.342 7.990 8.240 0.152 0.000 0.488 48 K N -0.423 119.988 120.400 0.019 0.000 2.533 48 K HA 0.152 4.473 4.320 0.002 0.000 0.202 48 K C -1.381 175.208 176.600 -0.018 0.000 1.096 48 K CA -1.439 54.848 56.287 0.000 0.000 1.056 48 K CB 0.595 33.096 32.500 0.001 0.000 0.890 48 K HN -0.586 7.677 8.250 0.022 0.000 0.552 49 A N -2.053 120.748 122.820 -0.032 0.000 2.832 49 A HA -0.351 3.924 4.320 -0.075 0.000 0.280 49 A C -1.116 176.431 177.584 -0.060 0.000 1.464 49 A CA 0.790 52.794 52.037 -0.054 0.000 0.804 49 A CB -1.663 17.312 19.000 -0.042 0.000 1.020 49 A HN -0.129 8.004 8.150 -0.027 0.000 0.563 50 D N -1.638 118.725 120.400 -0.062 0.000 2.479 50 D HA 0.062 4.669 4.640 -0.055 0.000 0.218 50 D C -0.101 176.145 176.300 -0.090 0.000 1.131 50 D CA -1.419 52.544 54.000 -0.062 0.000 0.916 50 D CB 0.440 41.214 40.800 -0.043 0.000 1.022 50 D HN -0.588 7.727 8.370 -0.058 0.020 0.515 51 N N 5.585 124.229 118.700 -0.094 0.000 2.461 51 N HA -0.103 4.547 4.740 -0.149 0.000 0.188 51 N C 1.032 176.485 175.510 -0.094 0.000 1.134 51 N CA 0.814 53.796 53.050 -0.114 0.000 0.878 51 N CB 0.166 38.591 38.487 -0.102 0.000 0.972 51 N HN 0.120 8.452 8.380 -0.079 0.000 0.456 52 S N 1.128 116.780 115.700 -0.080 0.000 2.419 52 S HA -0.171 4.260 4.470 -0.065 0.000 0.235 52 S C 0.795 175.328 174.600 -0.111 0.000 1.019 52 S CA 3.239 61.391 58.200 -0.080 0.000 0.982 52 S CB -0.404 62.751 63.200 -0.075 0.000 0.789 52 S HN -0.351 8.052 8.310 -0.075 -0.139 0.490 53 V N -5.300 114.546 119.914 -0.113 0.000 3.623 53 V HA 0.101 4.053 4.120 -0.279 0.000 0.271 53 V C -0.903 175.236 176.094 0.075 0.000 1.248 53 V CA -0.124 62.118 62.300 -0.096 0.000 1.156 53 V CB 0.020 31.818 31.823 -0.041 0.000 0.870 53 V HN -0.720 7.366 8.190 -0.101 0.044 0.453 54 I N 2.185 122.723 120.570 -0.053 0.000 2.312 54 I HA -0.122 3.985 4.170 -0.105 0.000 0.291 54 I C -0.305 175.808 176.117 -0.007 0.000 1.031 54 I CA -0.339 60.901 61.300 -0.100 0.000 1.293 54 I CB 0.038 37.882 38.000 -0.260 0.000 1.403 54 I HN -0.483 7.495 8.210 -0.084 0.181 0.484 55 V N 8.882 128.826 119.914 0.049 0.000 2.415 55 V HA -0.078 4.004 4.120 -0.064 0.000 0.267 55 V C -0.329 175.823 176.094 0.096 0.000 1.042 55 V CA -0.584 61.694 62.300 -0.036 0.000 1.000 55 V CB -0.700 30.953 31.823 -0.282 0.000 1.015 55 V HN -0.038 8.223 8.190 0.118 0.000 0.478 56 A N 9.101 131.959 122.820 0.064 0.000 2.531 56 A HA -0.031 4.341 4.320 0.086 0.000 0.236 56 A C 0.847 178.489 177.584 0.097 0.000 1.062 56 A CA 0.638 52.724 52.037 0.082 0.000 0.760 56 A CB 0.674 19.704 19.000 0.049 0.000 0.995 56 A HN 0.402 8.577 8.150 0.042 0.000 0.501 57 T N 1.070 115.692 114.554 0.114 0.000 2.833 57 T HA -0.401 3.950 4.350 0.002 0.000 0.269 57 T C 1.376 176.094 174.700 0.030 0.000 1.054 57 T CA 3.711 65.841 62.100 0.049 0.000 1.135 57 T CB -0.123 68.778 68.868 0.054 0.000 0.869 57 T HN 0.173 8.490 8.240 0.127 0.000 0.466 58 D N 0.037 120.465 120.400 0.047 0.000 2.149 58 D HA -0.270 4.399 4.640 0.049 0.000 0.198 58 D C 2.086 178.427 176.300 0.070 0.000 0.990 58 D CA 3.564 57.596 54.000 0.054 0.000 0.839 58 D CB -0.107 40.725 40.800 0.054 0.000 0.948 58 D HN 0.239 8.627 8.370 0.050 0.012 0.460 59 S N 0.078 115.827 115.700 0.081 0.000 2.383 59 S HA -0.274 4.265 4.470 0.116 0.000 0.227 59 S C 2.142 176.834 174.600 0.155 0.000 1.026 59 S CA 3.183 61.453 58.200 0.117 0.000 0.981 59 S CB -0.059 63.219 63.200 0.129 0.000 0.818 59 S HN -0.836 7.415 8.310 0.074 0.103 0.472 60 I N 2.534 123.176 120.570 0.119 0.000 2.163 60 I HA -0.633 3.747 4.170 0.349 0.000 0.243 60 I C 1.151 177.320 176.117 0.087 0.000 1.085 60 I CA 4.589 65.970 61.300 0.134 0.000 1.347 60 I CB -0.402 37.527 38.000 -0.117 0.000 1.044 60 I HN -0.328 7.927 8.210 0.074 0.000 0.408 61 K N -0.322 120.081 120.400 0.006 0.000 2.009 61 K HA -0.491 3.730 4.320 -0.165 0.000 0.210 61 K C 2.219 178.766 176.600 -0.088 0.000 1.049 61 K CA 3.954 60.190 56.287 -0.085 0.000 0.929 61 K CB -0.305 32.178 32.500 -0.028 0.000 0.714 61 K HN -0.253 8.003 8.250 0.011 0.000 0.440 62 N N -1.428 117.314 118.700 0.069 0.000 2.104 62 N HA -0.267 4.622 4.740 0.250 0.000 0.190 62 N C 2.419 177.987 175.510 0.097 0.000 1.024 62 N CA 2.968 56.103 53.050 0.143 0.000 0.853 62 N CB -0.601 37.966 38.487 0.133 0.000 1.008 62 N HN -0.312 8.118 8.380 0.083 0.000 0.424 63 T N 3.168 117.767 114.554 0.076 0.000 2.788 63 T HA -0.322 3.994 4.350 -0.058 0.000 0.268 63 T C 1.968 176.650 174.700 -0.030 0.000 1.044 63 T CA 4.534 66.633 62.100 -0.003 0.000 1.139 63 T CB -0.396 68.498 68.868 0.045 0.000 0.867 63 T HN -0.297 7.996 8.240 0.112 0.013 0.454 64 I N 1.634 122.200 120.570 -0.007 0.000 2.163 64 I HA -0.582 3.615 4.170 0.045 0.000 0.243 64 I C 1.617 177.771 176.117 0.061 0.000 1.085 64 I CA 4.550 65.842 61.300 -0.014 0.000 1.347 64 I CB -0.267 37.654 38.000 -0.132 0.000 1.044 64 I HN -0.368 7.841 8.210 -0.000 0.000 0.408 65 Y N -2.271 118.087 120.300 0.097 0.000 2.181 65 Y HA -0.366 4.235 4.550 0.084 0.000 0.288 65 Y C 2.541 178.471 175.900 0.048 0.000 1.146 65 Y CA 3.102 61.246 58.100 0.074 0.000 1.164 65 Y CB -0.834 37.658 38.460 0.055 0.000 0.982 65 Y HN -0.843 7.349 8.280 -0.148 0.000 0.515 66 I N -0.862 119.808 120.570 0.167 0.000 2.226 66 I HA -0.604 3.610 4.170 0.074 0.000 0.245 66 I C 1.975 178.111 176.117 0.031 0.000 1.100 66 I CA 4.191 65.528 61.300 0.063 0.000 1.374 66 I CB -0.228 37.771 38.000 -0.002 0.000 1.057 66 I HN -0.148 8.158 8.210 0.160 0.000 0.413 67 T N 1.409 115.971 114.554 0.013 0.000 2.746 67 T HA -0.398 3.922 4.350 -0.050 0.000 0.267 67 T C 1.560 176.396 174.700 0.227 0.000 1.039 67 T CA 4.470 66.585 62.100 0.025 0.000 1.142 67 T CB -0.314 68.492 68.868 -0.102 0.000 0.866 67 T HN -0.253 7.987 8.240 0.000 0.000 0.444 68 A N 0.347 123.347 122.820 0.299 0.000 1.969 68 A HA -0.276 4.118 4.320 0.123 0.000 0.218 68 A C 1.449 179.061 177.584 0.046 0.000 1.169 68 A CA 2.859 54.977 52.037 0.134 0.000 0.635 68 A CB -0.674 18.338 19.000 0.019 0.000 0.810 68 A HN -0.311 8.014 8.150 0.291 0.000 0.445 69 K N -2.106 118.335 120.400 0.068 0.000 2.148 69 K HA -0.271 4.062 4.320 0.022 0.000 0.204 69 K C 2.656 179.267 176.600 0.018 0.000 1.050 69 K CA 2.281 58.588 56.287 0.033 0.000 0.942 69 K CB -0.128 32.394 32.500 0.038 0.000 0.724 69 K HN -0.400 7.802 8.250 0.097 0.106 0.446 70 Q N -3.519 116.294 119.800 0.022 0.000 2.319 70 Q HA -0.017 4.323 4.340 0.001 0.000 0.202 70 Q C 0.021 176.024 176.000 0.006 0.000 0.896 70 Q CA 0.440 56.246 55.803 0.004 0.000 0.942 70 Q CB 1.056 29.786 28.738 -0.014 0.000 1.083 70 Q HN -0.524 7.740 8.270 0.037 0.028 0.510 71 N N -0.916 117.800 118.700 0.027 0.000 2.610 71 N HA 0.468 5.212 4.740 0.006 0.000 0.264 71 N C -3.006 172.506 175.510 0.004 0.000 1.348 71 N CA -1.983 51.086 53.050 0.032 0.000 0.819 71 N CB 2.558 41.094 38.487 0.081 0.000 1.521 71 N HN -0.802 7.543 8.380 0.037 0.057 0.497 72 P HA 0.129 4.445 4.420 -0.173 0.000 0.268 72 P C -0.722 176.493 177.300 -0.142 0.000 1.205 72 P CA -0.101 62.928 63.100 -0.119 0.000 0.771 72 P CB 0.881 32.515 31.700 -0.110 0.000 0.858 73 V N -7.063 112.609 119.914 -0.403 0.000 3.647 73 V HA 0.101 3.799 4.120 -0.703 0.000 0.279 73 V C -1.039 174.787 176.094 -0.448 0.000 1.314 73 V CA 0.217 62.141 62.300 -0.627 0.000 1.125 73 V CB 0.132 31.453 31.823 -0.836 0.000 0.907 73 V HN -0.089 7.819 8.190 -0.471 0.000 0.434 74 T N -3.614 110.703 114.554 -0.395 0.000 2.893 74 T HA 0.405 4.622 4.350 -0.223 0.000 0.293 74 T C -1.822 172.788 174.700 -0.149 0.000 1.027 74 T CA -4.024 57.910 62.100 -0.277 0.000 0.988 74 T CB 1.597 70.285 68.868 -0.299 0.000 1.043 74 T HN -0.688 7.252 8.240 -0.404 0.058 0.461 75 P HA 0.411 4.775 4.420 -0.094 0.000 0.272 75 P C -1.098 176.121 177.300 -0.136 0.000 1.230 75 P CA -1.601 61.448 63.100 -0.086 0.000 0.788 75 P CB -0.278 31.431 31.700 0.015 0.000 0.949 76 P HA -0.099 4.302 4.420 -0.032 0.000 0.220 76 P C 1.556 178.757 177.300 -0.164 0.000 1.148 76 P CA 2.150 65.189 63.100 -0.101 0.000 0.803 76 P CB 0.325 31.959 31.700 -0.110 0.000 0.782 77 E N -2.365 117.620 120.200 -0.357 0.000 2.118 77 E HA -0.368 3.714 4.350 -0.446 0.000 0.195 77 E C 1.663 177.951 176.600 -0.519 0.000 0.992 77 E CA 3.779 59.810 56.400 -0.615 0.000 0.804 77 E CB -1.199 27.636 29.700 -1.442 0.000 0.741 77 E HN 0.130 8.249 8.360 -0.356 0.027 0.458 78 L N -0.664 120.313 121.223 -0.410 0.000 2.023 78 L HA -0.253 3.929 4.340 -0.264 0.000 0.205 78 L C 1.099 177.894 176.870 -0.124 0.000 1.073 78 L CA 2.976 57.678 54.840 -0.229 0.000 0.745 78 L CB -0.360 41.627 42.059 -0.121 0.000 0.900 78 L HN -0.701 7.273 8.230 -0.404 0.013 0.435 79 F N 0.095 119.925 119.950 -0.200 0.000 2.095 79 F HA -0.294 4.148 4.527 -0.140 0.000 0.298 79 F C 1.987 177.710 175.800 -0.128 0.000 1.104 79 F CA 3.329 61.237 58.000 -0.154 0.000 1.232 79 F CB -0.239 38.669 39.000 -0.154 0.000 0.987 79 F HN -0.441 7.888 8.300 0.048 0.000 0.475 80 G N -3.513 105.167 108.800 -0.200 0.000 2.422 80 G HA2 -0.416 3.344 3.960 -0.333 0.000 0.218 80 G HA3 -0.416 3.447 3.960 -0.161 0.000 0.218 80 G C 1.056 175.814 174.900 -0.237 0.000 1.146 80 G CA 2.322 47.272 45.100 -0.251 0.000 0.769 80 G HN 0.181 8.428 8.290 -0.073 0.000 0.547 81 S N 2.775 118.348 115.700 -0.212 0.000 2.368 81 S HA -0.256 4.138 4.470 -0.127 0.000 0.224 81 S C 1.925 176.427 174.600 -0.163 0.000 1.029 81 S CA 4.432 62.533 58.200 -0.163 0.000 0.988 81 S CB -0.141 62.958 63.200 -0.170 0.000 0.838 81 S HN -0.722 7.455 8.310 -0.221 0.000 0.462 82 I N 1.762 122.206 120.570 -0.211 0.000 2.179 82 I HA -0.498 3.586 4.170 -0.144 0.000 0.242 82 I C 1.413 177.393 176.117 -0.229 0.000 1.088 82 I CA 4.109 65.289 61.300 -0.200 0.000 1.357 82 I CB -0.082 37.802 38.000 -0.194 0.000 1.051 82 I HN -0.221 7.852 8.210 -0.229 0.000 0.409 83 L N -0.603 120.398 121.223 -0.371 0.000 2.017 83 L HA -0.220 3.925 4.340 -0.324 0.000 0.208 83 L C 1.738 178.587 176.870 -0.034 0.000 1.073 83 L CA 2.761 57.416 54.840 -0.309 0.000 0.745 83 L CB -0.509 41.245 42.059 -0.507 0.000 0.894 83 L HN -0.275 7.661 8.230 -0.490 0.000 0.432 84 G N -4.133 104.651 108.800 -0.028 0.000 2.408 84 G HA2 -0.278 3.807 3.960 0.210 0.000 0.217 84 G HA3 -0.278 3.680 3.960 -0.002 0.000 0.217 84 G C 1.153 176.086 174.900 0.055 0.000 1.150 84 G CA 2.232 47.375 45.100 0.071 0.000 0.776 84 G HN -0.062 8.160 8.290 -0.114 0.000 0.542 85 T N 4.348 118.889 114.554 -0.021 0.000 2.720 85 T HA -0.432 3.901 4.350 -0.028 0.000 0.268 85 T C 1.332 175.997 174.700 -0.059 0.000 1.037 85 T CA 5.194 67.272 62.100 -0.036 0.000 1.144 85 T CB -0.257 68.579 68.868 -0.053 0.000 0.864 85 T HN -0.485 7.724 8.240 -0.052 0.000 0.444 86 H N 2.324 121.285 119.070 -0.181 0.000 2.319 86 H HA -0.367 4.042 4.556 -0.246 0.000 0.297 86 H C 1.621 176.780 175.328 -0.282 0.000 1.097 86 H CA 4.372 60.241 56.048 -0.297 0.000 1.285 86 H CB -0.081 29.399 29.762 -0.470 0.000 1.368 86 H HN -0.429 7.833 8.280 -0.013 0.010 0.495 87 F N -3.469 116.385 119.950 -0.160 0.000 2.146 87 F HA -0.310 4.129 4.527 -0.147 0.000 0.298 87 F C 2.090 177.820 175.800 -0.116 0.000 1.096 87 F CA 4.046 61.980 58.000 -0.110 0.000 1.275 87 F CB -0.079 38.925 39.000 0.007 0.000 1.008 87 F HN -0.807 7.494 8.300 0.001 0.000 0.480 88 I N -4.954 115.641 120.570 0.042 0.000 2.546 88 I HA -0.150 4.164 4.170 0.007 -0.140 0.255 88 I C 0.867 176.947 176.117 -0.061 0.000 1.163 88 I CA 2.477 63.775 61.300 -0.003 0.000 1.457 88 I CB 0.011 38.015 38.000 0.007 0.000 1.092 88 I HN -0.920 7.322 8.210 0.053 0.000 0.434 89 E N -0.935 119.181 120.200 -0.140 0.000 2.122 89 E HA -0.193 4.095 4.350 -0.102 0.000 0.190 89 E C 1.531 177.975 176.600 -0.260 0.000 0.977 89 E CA 1.904 58.206 56.400 -0.163 0.000 0.820 89 E CB 0.149 29.756 29.700 -0.154 0.000 0.770 89 E HN -0.366 7.897 8.360 -0.161 0.000 0.462 90 K N -2.015 118.096 120.400 -0.482 0.000 2.103 90 K HA -0.112 3.894 4.320 -0.524 0.000 0.204 90 K C 0.661 176.851 176.600 -0.684 0.000 1.052 90 K CA 1.058 56.923 56.287 -0.704 0.000 0.945 90 K CB 0.825 32.597 32.500 -1.212 0.000 0.722 90 K HN -0.316 7.606 8.250 -0.547 0.000 0.443 91 Y N -2.126 118.108 120.300 -0.111 0.000 2.356 91 Y HA 0.123 4.691 4.550 0.031 0.000 0.334 91 Y C 0.325 176.200 175.900 -0.042 0.000 0.958 91 Y CA -1.151 56.931 58.100 -0.030 0.000 1.196 91 Y CB 0.188 38.617 38.460 -0.052 0.000 1.137 91 Y HN -0.672 7.468 8.280 -0.234 0.000 0.485 92 N N 4.968 123.761 118.700 0.155 0.000 2.137 92 N HA -0.321 4.465 4.740 0.078 0.000 0.190 92 N C -0.046 175.502 175.510 0.063 0.000 1.017 92 N CA 2.397 55.516 53.050 0.114 0.000 0.859 92 N CB -0.048 38.517 38.487 0.129 0.000 1.002 92 N HN 0.547 9.036 8.380 0.181 0.000 0.428 93 H N -8.146 110.882 119.070 -0.070 0.000 2.539 93 H HA -0.007 4.418 4.556 -0.218 0.000 0.267 93 H C -0.884 174.134 175.328 -0.516 0.000 0.982 93 H CA -0.613 55.303 56.048 -0.220 0.000 1.146 93 H CB -0.200 29.535 29.762 -0.045 0.000 1.382 93 H HN -0.346 8.135 8.280 0.385 0.030 0.577 94 I N 0.847 120.961 120.570 -0.760 0.000 2.325 94 I HA 0.055 3.994 4.170 -0.570 -0.112 0.291 94 I C -0.594 175.234 176.117 -0.481 0.000 1.019 94 I CA -1.411 59.542 61.300 -0.579 0.000 1.302 94 I CB -0.926 36.885 38.000 -0.314 0.000 1.401 94 I HN -0.703 7.148 8.210 -0.509 0.053 0.485 95 H N 5.506 124.547 119.070 -0.047 0.000 2.986 95 H HA 0.507 5.222 4.556 -0.020 -0.171 0.267 95 H C -1.226 174.072 175.328 -0.050 0.000 1.072 95 H CA -0.921 55.111 56.048 -0.026 0.000 1.202 95 H CB 2.542 32.303 29.762 -0.002 0.000 1.535 95 H HN 0.491 8.646 8.280 -0.208 0.000 0.522 96 A N -2.272 120.537 122.820 -0.019 0.000 2.574 96 A HA 0.937 5.369 4.320 -0.137 -0.195 0.297 96 A C -2.929 174.485 177.584 -0.285 0.000 1.062 96 A CA -0.855 51.088 52.037 -0.157 0.000 0.686 96 A CB 3.481 22.386 19.000 -0.160 0.000 1.285 96 A HN -0.602 7.521 8.150 -0.046 0.000 0.403 97 A N 1.377 123.960 122.820 -0.396 0.000 2.381 97 A HA 0.764 5.010 4.320 -0.366 -0.146 0.299 97 A C -2.012 175.284 177.584 -0.479 0.000 1.049 97 A CA -1.087 50.730 52.037 -0.366 0.000 0.715 97 A CB 3.007 21.936 19.000 -0.118 0.000 1.222 97 A HN 0.637 8.564 8.150 -0.371 0.000 0.428 98 H N 4.608 123.615 119.070 -0.105 0.000 2.595 98 H HA 0.513 5.162 4.556 -0.061 -0.129 0.313 98 H C -1.113 174.157 175.328 -0.098 0.000 1.023 98 H CA -1.626 54.371 56.048 -0.084 0.000 1.218 98 H CB 1.353 31.065 29.762 -0.083 0.000 1.403 98 H HN 0.486 8.641 8.280 -0.208 0.000 0.477 99 V N 6.748 126.664 119.914 0.004 0.000 2.409 99 V HA 0.492 4.786 4.120 -0.039 -0.198 0.291 99 V C -1.687 174.394 176.094 -0.021 0.000 1.020 99 V CA -1.451 60.831 62.300 -0.031 0.000 0.848 99 V CB 1.861 33.647 31.823 -0.061 0.000 0.990 99 V HN 0.741 8.935 8.190 0.008 0.000 0.430 100 N N 7.852 126.538 118.700 -0.022 0.000 2.372 100 N HA 0.716 5.618 4.740 -0.033 -0.182 0.291 100 N C -1.949 173.548 175.510 -0.022 0.000 1.024 100 N CA -1.319 51.714 53.050 -0.028 0.000 0.873 100 N CB 3.702 42.170 38.487 -0.030 0.000 1.206 100 N HN 0.274 8.639 8.380 -0.025 0.000 0.486 101 I N 4.876 125.426 120.570 -0.034 0.000 2.533 101 I HA 0.527 4.868 4.170 -0.013 -0.179 0.290 101 I C -1.729 174.337 176.117 -0.084 0.000 1.056 101 I CA -1.164 60.118 61.300 -0.031 0.000 1.057 101 I CB 3.742 41.743 38.000 0.002 0.000 1.240 101 I HN 0.593 8.775 8.210 -0.047 0.000 0.423 102 V N 6.369 126.212 119.914 -0.118 0.000 2.370 102 V HA 0.374 4.524 4.120 -0.193 -0.146 0.283 102 V C -1.171 174.688 176.094 -0.391 0.000 1.023 102 V CA -1.967 60.197 62.300 -0.227 0.000 0.857 102 V CB 0.673 32.371 31.823 -0.208 0.000 0.985 102 V HN 0.393 8.531 8.190 -0.088 0.000 0.443 103 C N 8.191 127.277 119.300 -0.357 0.000 2.295 103 C HA 0.384 4.789 4.460 -0.310 -0.131 0.331 103 C C -0.029 174.712 174.990 -0.415 0.000 1.280 103 C CA -1.271 57.546 59.018 -0.334 0.000 1.746 103 C CB 0.123 27.740 27.740 -0.205 0.000 2.328 103 C HN 0.714 8.778 8.230 -0.277 0.000 0.521 104 H N 3.804 122.813 119.070 -0.101 0.000 2.467 104 H HA 0.373 4.825 4.556 -0.173 0.000 0.331 104 H C -0.055 175.112 175.328 -0.268 0.000 1.120 104 H CA -0.642 55.289 56.048 -0.196 0.000 1.270 104 H CB 2.062 31.678 29.762 -0.242 0.000 1.466 104 H HN 0.253 8.397 8.280 -0.228 0.000 0.504 105 R N 1.182 121.564 120.500 -0.197 0.000 2.340 105 R HA 0.009 4.297 4.340 -0.087 0.000 0.300 105 R C -0.828 175.279 176.300 -0.321 0.000 1.069 105 R CA -0.227 55.773 56.100 -0.168 0.000 0.984 105 R CB 0.699 30.957 30.300 -0.069 0.000 1.003 105 R HN 0.528 8.696 8.270 -0.170 0.000 0.459 106 W N 4.880 126.194 121.300 0.024 0.000 2.516 106 W HA 0.243 5.093 4.660 0.103 -0.128 0.293 106 W C -0.853 175.745 176.519 0.131 0.000 1.006 106 W CA -1.261 56.108 57.345 0.041 0.000 1.483 106 W CB 1.255 30.634 29.460 -0.135 0.000 1.316 106 W HN 0.423 8.662 8.180 0.099 0.000 0.411 107 T N 5.168 119.977 114.554 0.425 0.000 2.806 107 T HA 0.223 4.751 4.350 0.297 0.000 0.290 107 T C -0.598 174.323 174.700 0.368 0.000 0.966 107 T CA -0.123 62.173 62.100 0.328 0.000 1.060 107 T CB 1.605 70.596 68.868 0.205 0.000 0.927 107 T HN 0.281 8.762 8.240 0.402 0.000 0.485 108 R N 7.519 128.200 120.500 0.301 0.000 2.538 108 R HA -0.172 4.189 4.340 -0.177 -0.128 0.282 108 R C 0.012 176.302 176.300 -0.017 0.000 1.009 108 R CA 0.960 57.083 56.100 0.038 0.000 1.063 108 R CB 0.383 30.699 30.300 0.026 0.000 0.945 108 R HN 0.412 8.857 8.270 0.291 0.000 0.414 109 M N 6.632 126.157 119.600 -0.124 0.000 2.233 109 M HA -0.076 4.395 4.480 -0.015 0.000 0.350 109 M C -0.964 175.313 176.300 -0.039 0.000 1.176 109 M CA 1.283 56.544 55.300 -0.065 0.000 1.150 109 M CB 0.980 33.508 32.600 -0.118 0.000 1.530 109 M HN 0.152 8.280 8.290 -0.269 0.000 0.459 110 D N 2.475 122.868 120.400 -0.013 0.000 2.280 110 D HA 0.357 5.151 4.640 -0.003 -0.156 0.236 110 D C -0.682 175.613 176.300 -0.009 0.000 1.082 110 D CA -0.413 53.584 54.000 -0.004 0.000 0.834 110 D CB 1.111 41.914 40.800 0.006 0.000 1.100 110 D HN 0.155 8.523 8.370 -0.005 0.000 0.486 111 I N 3.666 124.236 120.570 -0.000 0.000 2.418 111 I HA 0.130 4.291 4.170 -0.014 0.000 0.287 111 I C -0.169 175.951 176.117 0.004 0.000 1.008 111 I CA -2.161 59.138 61.300 -0.003 0.000 1.104 111 I CB 1.560 39.560 38.000 0.000 0.000 1.264 111 I HN 0.290 8.506 8.210 0.009 0.000 0.438 112 D N 7.192 127.592 120.400 -0.000 0.000 2.701 112 D HA -0.322 4.318 4.640 0.001 0.000 0.235 112 D C 0.511 176.811 176.300 0.001 0.000 1.155 112 D CA 1.291 55.292 54.000 0.001 0.000 0.649 112 D CB -0.721 40.080 40.800 0.001 0.000 1.050 112 D HN 0.847 9.215 8.370 -0.004 0.000 0.425 113 G N -7.342 101.459 108.800 0.002 0.000 2.184 113 G HA2 -0.352 3.611 3.960 0.005 0.000 0.264 113 G HA3 -0.352 3.610 3.960 0.003 0.000 0.264 113 G C -1.084 173.816 174.900 0.000 0.000 0.975 113 G CA 0.084 45.186 45.100 0.003 0.000 0.642 113 G HN 0.245 8.516 8.290 0.002 0.020 0.536 114 K N 0.406 120.805 120.400 -0.002 0.000 2.324 114 K HA 0.431 4.746 4.320 -0.009 0.000 0.253 114 K C -2.783 173.809 176.600 -0.014 0.000 0.932 114 K CA -3.570 52.711 56.287 -0.011 0.000 0.799 114 K CB 1.586 34.074 32.500 -0.019 0.000 1.154 114 K HN -0.545 7.533 8.250 -0.000 0.172 0.425 115 P HA -0.064 4.633 4.420 -0.019 -0.288 0.264 115 P C -0.707 176.552 177.300 -0.069 0.000 1.193 115 P CA 0.072 63.154 63.100 -0.030 0.000 0.763 115 P CB 0.382 32.068 31.700 -0.024 0.000 0.810 116 H N 7.332 126.299 119.070 -0.172 0.000 2.610 116 H HA 0.317 4.744 4.556 -0.216 0.000 0.336 116 H C -0.137 175.016 175.328 -0.293 0.000 1.087 116 H CA -0.775 55.123 56.048 -0.250 0.000 1.405 116 H CB 2.887 32.465 29.762 -0.307 0.000 1.460 116 H HN 0.434 8.711 8.280 -0.004 0.000 0.538 117 P HA -0.083 4.223 4.420 -0.190 0.000 0.226 117 P C -1.414 175.811 177.300 -0.125 0.000 1.153 117 P CA 1.675 64.576 63.100 -0.331 0.000 0.777 117 P CB 0.427 31.957 31.700 -0.284 0.000 0.794 118 H N -10.091 108.948 119.070 -0.051 0.000 3.346 118 H HA 0.352 4.959 4.556 0.084 0.000 0.253 118 H C -1.670 173.584 175.328 -0.123 0.000 1.204 118 H CA -1.331 54.729 56.048 0.020 0.000 0.996 118 H CB 0.723 30.557 29.762 0.120 0.000 2.713 118 H HN -0.643 7.434 8.280 -0.260 0.047 0.690 119 S N 0.144 115.547 115.700 -0.494 0.000 2.521 119 S HA 0.260 4.611 4.470 -0.198 0.000 0.295 119 S C -2.040 172.048 174.600 -0.854 0.000 1.098 119 S CA -1.479 56.430 58.200 -0.486 0.000 0.999 119 S CB 1.600 64.527 63.200 -0.455 0.000 1.034 119 S HN -0.550 7.448 8.310 -0.521 0.000 0.483 120 F N 2.603 122.550 119.950 -0.004 0.000 2.599 120 F HA 0.711 5.466 4.527 0.109 -0.162 0.311 120 F C -0.834 175.089 175.800 0.204 0.000 1.076 120 F CA -1.443 56.610 58.000 0.090 0.000 0.937 120 F CB 4.471 43.507 39.000 0.060 0.000 1.282 120 F HN 0.116 8.425 8.300 0.016 0.000 0.460 121 I N 0.850 121.705 120.570 0.475 0.000 2.608 121 I HA 0.344 4.784 4.170 0.450 0.000 0.295 121 I C -1.740 174.618 176.117 0.403 0.000 1.049 121 I CA -1.977 59.569 61.300 0.409 0.000 1.063 121 I CB 4.695 42.817 38.000 0.203 0.000 1.248 121 I HN 0.788 9.274 8.210 0.460 0.000 0.424 122 R N 8.708 129.353 120.500 0.241 0.000 2.609 122 R HA 0.022 4.424 4.340 -0.202 -0.182 0.271 122 R C -0.651 175.646 176.300 -0.005 0.000 1.403 122 R CA -1.192 54.847 56.100 -0.100 0.000 1.138 122 R CB -1.346 28.762 30.300 -0.321 0.000 1.142 122 R HN 0.487 8.952 8.270 0.326 0.000 0.559 123 D N 6.393 126.812 120.400 0.033 0.000 2.508 123 D HA -0.103 4.561 4.640 0.040 0.000 0.224 123 D C -1.254 175.054 176.300 0.013 0.000 1.171 123 D CA -0.656 53.368 54.000 0.040 0.000 1.006 123 D CB -1.840 39.003 40.800 0.071 0.000 1.073 123 D HN -0.329 8.074 8.370 0.055 0.000 0.513 124 S N 1.941 117.636 115.700 -0.008 0.000 3.162 124 S HA -0.149 4.315 4.470 -0.010 0.000 0.837 124 S C -0.815 173.769 174.600 -0.027 0.000 1.008 124 S CA 0.466 58.661 58.200 -0.008 0.000 1.262 124 S CB -0.201 63.007 63.200 0.012 0.000 0.884 124 S HN -0.381 7.883 8.310 -0.013 0.039 0.257 125 E N 2.157 122.347 120.200 -0.018 0.000 2.476 125 E HA 0.027 4.361 4.350 -0.027 0.000 0.191 125 E C 0.224 176.827 176.600 0.005 0.000 1.064 125 E CA -0.816 55.576 56.400 -0.014 0.000 0.866 125 E CB -0.458 29.237 29.700 -0.010 0.000 0.952 125 E HN 0.298 8.651 8.360 -0.011 0.000 0.492 126 E N 0.920 121.130 120.200 0.016 0.000 2.452 126 E HA -0.302 4.323 4.350 0.035 -0.254 0.261 126 E C -0.613 176.011 176.600 0.040 0.000 0.987 126 E CA 1.087 57.512 56.400 0.041 0.000 0.926 126 E CB 0.611 30.354 29.700 0.072 0.000 0.934 126 E HN -0.796 7.505 8.360 0.014 0.067 0.452 127 K N 3.518 123.941 120.400 0.038 0.000 2.267 127 K HA 0.627 5.048 4.320 -0.041 -0.126 0.246 127 K C -0.800 175.832 176.600 0.053 0.000 0.954 127 K CA -2.856 53.427 56.287 -0.008 0.000 0.824 127 K CB 2.972 35.435 32.500 -0.061 0.000 1.167 127 K HN 0.092 8.370 8.250 0.046 0.000 0.431 128 R N 2.494 122.983 120.500 -0.018 0.000 2.387 128 R HA 0.499 5.067 4.340 0.121 -0.155 0.314 128 R C -1.791 174.450 176.300 -0.098 0.000 0.958 128 R CA -1.091 55.001 56.100 -0.013 0.000 0.846 128 R CB 2.251 32.423 30.300 -0.213 0.000 1.147 128 R HN -0.163 8.054 8.270 -0.087 0.000 0.447 129 N N 5.723 124.370 118.700 -0.088 0.000 2.380 129 N HA 1.073 5.910 4.740 -0.125 -0.172 0.290 129 N C -1.750 173.677 175.510 -0.139 0.000 1.236 129 N CA -1.146 51.832 53.050 -0.120 0.000 0.780 129 N CB 4.717 43.137 38.487 -0.112 0.000 1.438 129 N HN 0.470 8.813 8.380 -0.062 0.000 0.491 130 V N -5.855 113.987 119.914 -0.120 0.000 3.049 130 V HA 0.880 5.096 4.120 -0.140 -0.181 0.309 130 V C -2.329 173.714 176.094 -0.085 0.000 1.148 130 V CA -2.765 59.464 62.300 -0.117 0.000 0.990 130 V CB 3.889 35.639 31.823 -0.121 0.000 1.039 130 V HN 0.449 8.576 8.190 -0.106 0.000 0.430 131 Q N 3.910 123.669 119.800 -0.070 0.000 2.327 131 Q HA 0.643 5.122 4.340 -0.034 -0.159 0.270 131 Q C -1.994 173.998 176.000 -0.013 0.000 1.022 131 Q CA -1.622 54.159 55.803 -0.037 0.000 0.773 131 Q CB 3.193 31.912 28.738 -0.032 0.000 1.251 131 Q HN 0.511 8.735 8.270 -0.077 0.000 0.457 132 V N 8.878 128.784 119.914 -0.013 0.000 2.350 132 V HA 0.498 4.782 4.120 0.009 -0.158 0.285 132 V C -1.913 174.186 176.094 0.009 0.000 1.014 132 V CA -1.642 60.652 62.300 -0.011 0.000 0.831 132 V CB 1.249 33.035 31.823 -0.061 0.000 1.000 132 V HN 0.900 9.080 8.190 -0.017 0.000 0.433 133 D N 9.043 129.464 120.400 0.037 0.000 2.392 133 D HA 0.435 5.207 4.640 -0.015 -0.141 0.228 133 D C -1.178 175.105 176.300 -0.028 0.000 1.074 133 D CA -0.825 53.192 54.000 0.028 0.000 0.838 133 D CB 1.917 42.803 40.800 0.143 0.000 1.067 133 D HN 0.579 8.978 8.370 0.049 0.000 0.511 134 V N 5.284 125.135 119.914 -0.106 0.000 2.333 134 V HA 0.296 4.545 4.120 -0.024 -0.144 0.274 134 V C -1.541 174.497 176.094 -0.093 0.000 1.028 134 V CA -1.098 61.161 62.300 -0.067 0.000 0.851 134 V CB 0.207 31.996 31.823 -0.057 0.000 1.000 134 V HN 0.704 8.789 8.190 -0.175 0.000 0.456 135 V N 7.870 127.763 119.914 -0.034 0.000 2.407 135 V HA 0.328 4.548 4.120 -0.037 -0.123 0.291 135 V C -1.221 174.880 176.094 0.012 0.000 1.018 135 V CA -1.912 60.378 62.300 -0.017 0.000 0.842 135 V CB 2.449 34.276 31.823 0.007 0.000 0.996 135 V HN 0.692 8.877 8.190 -0.010 0.000 0.426 136 E N 9.821 130.039 120.200 0.030 0.000 2.465 136 E HA -0.260 4.110 4.350 0.033 0.000 0.260 136 E C 0.357 176.968 176.600 0.018 0.000 0.980 136 E CA 1.841 58.266 56.400 0.041 0.000 0.927 136 E CB 0.377 30.139 29.700 0.102 0.000 0.934 136 E HN 0.291 8.675 8.360 0.040 0.000 0.459 137 G N 6.460 115.269 108.800 0.015 0.000 2.225 137 G HA2 -0.396 3.568 3.960 0.007 0.000 0.254 137 G HA3 -0.396 3.561 3.960 -0.005 0.000 0.254 137 G C 0.039 174.946 174.900 0.011 0.000 0.988 137 G CA 0.650 45.753 45.100 0.006 0.000 0.625 137 G HN 0.628 8.930 8.290 0.019 0.000 0.527 138 K N -0.486 119.924 120.400 0.017 0.000 2.450 138 K HA 0.189 4.521 4.320 0.019 0.000 0.206 138 K C -0.035 176.584 176.600 0.033 0.000 1.148 138 K CA -0.546 55.754 56.287 0.022 0.000 1.014 138 K CB 1.807 34.319 32.500 0.020 0.000 0.966 138 K HN -0.044 8.134 8.250 0.018 0.083 0.566 139 G N -0.055 108.768 108.800 0.040 0.000 2.466 139 G HA2 -0.333 3.796 3.960 0.064 0.000 0.218 139 G HA3 -0.333 3.801 3.960 0.074 -0.130 0.218 139 G C -2.560 172.380 174.900 0.067 0.000 1.237 139 G CA -0.433 44.705 45.100 0.063 0.000 0.954 139 G HN -0.546 7.764 8.290 0.033 0.000 0.580 140 I N 0.326 120.964 120.570 0.114 0.000 2.447 140 I HA 0.480 4.883 4.170 0.077 -0.187 0.287 140 I C -1.824 174.389 176.117 0.160 0.000 1.023 140 I CA -1.083 60.293 61.300 0.127 0.000 1.083 140 I CB 2.788 40.878 38.000 0.150 0.000 1.245 140 I HN 0.100 8.396 8.210 0.143 0.000 0.434 141 D N 8.196 128.661 120.400 0.109 0.000 2.349 141 D HA 0.423 5.120 4.640 0.095 0.000 0.232 141 D C -1.883 174.493 176.300 0.127 0.000 1.071 141 D CA -0.719 53.341 54.000 0.101 0.000 0.832 141 D CB 2.231 43.071 40.800 0.066 0.000 1.086 141 D HN 0.177 8.597 8.370 0.083 0.000 0.504 142 I N 3.191 123.882 120.570 0.201 0.000 2.406 142 I HA 0.554 4.988 4.170 0.124 -0.189 0.290 142 I C -1.330 174.957 176.117 0.284 0.000 0.999 142 I CA -1.241 60.191 61.300 0.221 0.000 1.124 142 I CB 2.628 40.773 38.000 0.241 0.000 1.289 142 I HN 0.518 8.863 8.210 0.226 0.000 0.441 143 K N 7.235 127.707 120.400 0.120 0.000 2.274 143 K HA 0.625 5.122 4.320 0.031 -0.158 0.262 143 K C -0.963 175.567 176.600 -0.117 0.000 0.961 143 K CA -1.298 54.993 56.287 0.007 0.000 0.833 143 K CB 2.535 35.002 32.500 -0.055 0.000 1.102 143 K HN 0.479 8.769 8.250 0.067 0.000 0.436 144 S N 5.367 120.857 115.700 -0.350 0.000 2.537 144 S HA 0.811 5.204 4.470 -0.365 -0.142 0.301 144 S C -1.231 172.672 174.600 -1.163 0.000 1.092 144 S CA -1.051 56.763 58.200 -0.643 0.000 1.048 144 S CB 2.189 65.004 63.200 -0.641 0.000 1.053 144 S HN 0.434 8.495 8.310 -0.414 0.000 0.501 145 S N 0.483 115.701 115.700 -0.803 0.000 2.596 145 S HA 0.992 4.995 4.470 -1.004 -0.136 0.270 145 S C -2.000 172.519 174.600 -0.134 0.000 1.155 145 S CA -1.059 56.764 58.200 -0.629 0.000 0.827 145 S CB 3.302 66.312 63.200 -0.317 0.000 1.130 145 S HN 0.591 8.596 8.310 -0.509 0.000 0.467 146 L N -3.204 118.083 121.223 0.107 0.000 2.346 146 L HA 1.028 5.686 4.340 0.240 -0.173 0.274 146 L C -1.298 175.625 176.870 0.087 0.000 1.007 146 L CA -1.497 53.482 54.840 0.232 0.000 0.818 146 L CB 3.264 45.546 42.059 0.372 0.000 1.284 146 L HN 0.021 8.311 8.230 0.101 0.000 0.424 147 S N -0.662 115.080 115.700 0.069 0.000 2.579 147 S HA 0.664 5.355 4.470 0.019 -0.210 0.272 147 S C 0.578 175.194 174.600 0.026 0.000 1.141 147 S CA -2.016 56.199 58.200 0.025 0.000 0.843 147 S CB 2.847 66.043 63.200 -0.006 0.000 1.122 147 S HN 0.230 8.597 8.310 0.095 0.000 0.468 148 G N -0.275 108.530 108.800 0.009 0.000 2.179 148 G HA2 -0.367 3.590 3.960 -0.005 0.000 0.257 148 G HA3 -0.367 3.596 3.960 0.006 0.000 0.257 148 G C -0.905 173.996 174.900 0.002 0.000 1.010 148 G CA 0.915 46.017 45.100 0.003 0.000 0.736 148 G HN 0.413 8.705 8.290 0.003 0.000 0.513 149 L N 0.226 121.448 121.223 -0.002 0.000 2.334 149 L HA 0.240 4.573 4.340 -0.012 0.000 0.286 149 L C -1.335 175.492 176.870 -0.072 0.000 1.108 149 L CA -0.969 53.857 54.840 -0.023 0.000 0.875 149 L CB -0.256 41.795 42.059 -0.013 0.000 1.246 149 L HN -0.818 7.372 8.230 0.004 0.042 0.439 150 T N 10.389 124.901 114.554 -0.069 0.000 2.744 150 T HA 0.553 5.042 4.350 -0.103 -0.202 0.291 150 T C -0.901 173.721 174.700 -0.130 0.000 0.957 150 T CA -0.068 61.979 62.100 -0.088 0.000 1.002 150 T CB 0.538 69.381 68.868 -0.043 0.000 0.919 150 T HN 0.023 8.234 8.240 -0.048 0.000 0.468 151 V N 3.974 123.758 119.914 -0.217 0.000 3.130 151 V HA 0.663 4.673 4.120 -0.184 0.000 0.310 151 V C -2.561 173.421 176.094 -0.187 0.000 1.158 151 V CA -2.228 59.894 62.300 -0.298 0.000 1.029 151 V CB 3.626 35.023 31.823 -0.710 0.000 1.057 151 V HN 0.661 8.719 8.190 -0.221 0.000 0.436 152 L N 1.229 122.442 121.223 -0.016 0.000 2.482 152 L HA 0.600 5.211 4.340 0.142 -0.186 0.263 152 L C -1.355 175.652 176.870 0.228 0.000 0.957 152 L CA -0.384 54.508 54.840 0.087 0.000 0.836 152 L CB 3.253 45.257 42.059 -0.092 0.000 1.324 152 L HN 0.054 8.285 8.230 0.002 0.000 0.406 153 K N 3.128 123.638 120.400 0.182 0.000 2.316 153 K HA 0.504 4.834 4.320 0.016 0.000 0.251 153 K C -0.589 175.944 176.600 -0.112 0.000 0.934 153 K CA -1.483 54.796 56.287 -0.014 0.000 0.802 153 K CB 2.213 34.578 32.500 -0.224 0.000 1.171 153 K HN 0.683 9.058 8.250 0.209 0.000 0.426 154 S N 0.476 116.111 115.700 -0.107 0.000 2.524 154 S HA 0.034 4.382 4.470 -0.204 0.000 0.216 154 S C 0.012 174.555 174.600 -0.096 0.000 0.987 154 S CA 1.691 59.810 58.200 -0.136 0.000 0.909 154 S CB 0.134 63.274 63.200 -0.101 0.000 0.781 154 S HN 0.593 8.855 8.310 -0.080 0.000 0.521 155 T N 0.404 114.914 114.554 -0.073 0.000 2.648 155 T HA 0.076 4.528 4.350 -0.014 -0.111 0.304 155 T C -1.049 173.619 174.700 -0.053 0.000 1.312 155 T CA -0.872 61.209 62.100 -0.031 0.000 1.023 155 T CB 1.326 70.194 68.868 0.001 0.000 1.612 155 T HN -0.813 7.328 8.240 -0.088 0.047 0.487 156 N N -0.664 118.028 118.700 -0.013 0.000 2.740 156 N HA -0.415 4.446 4.740 0.016 -0.111 0.248 156 N C -1.911 173.562 175.510 -0.062 0.000 1.062 156 N CA 1.297 54.331 53.050 -0.026 0.000 0.704 156 N CB -0.222 38.232 38.487 -0.055 0.000 0.968 156 N HN 0.357 8.749 8.380 0.019 0.000 0.547 157 S N -3.507 112.181 115.700 -0.020 0.000 2.547 157 S HA 0.499 5.066 4.470 -0.031 -0.115 0.281 157 S C -1.968 172.677 174.600 0.074 0.000 1.118 157 S CA -0.855 57.338 58.200 -0.012 0.000 0.947 157 S CB 2.810 65.981 63.200 -0.049 0.000 1.053 157 S HN -0.388 7.889 8.310 0.008 0.038 0.482 158 Q N 5.917 125.771 119.800 0.091 0.000 2.484 158 Q HA 0.269 4.713 4.340 0.173 0.000 0.285 158 Q C -2.307 173.783 176.000 0.149 0.000 1.097 158 Q CA -1.091 54.798 55.803 0.142 0.000 0.802 158 Q CB 4.602 33.465 28.738 0.208 0.000 1.444 158 Q HN 0.458 8.762 8.270 0.057 0.000 0.429 159 F N 1.371 121.274 119.950 -0.078 0.000 3.287 159 F HA 0.385 4.778 4.527 -0.224 0.000 0.379 159 F C -2.384 173.425 175.800 0.014 0.000 1.268 159 F CA -0.528 57.410 58.000 -0.104 0.000 1.220 159 F CB 2.605 41.584 39.000 -0.034 0.000 1.687 159 F HN 0.234 8.621 8.300 0.145 0.000 0.648 160 W N 1.111 122.098 121.300 -0.523 0.000 3.047 160 W HA 0.580 4.869 4.660 -0.620 0.000 0.341 160 W C -1.206 174.985 176.519 -0.546 0.000 1.225 160 W CA -1.504 55.455 57.345 -0.642 0.000 1.150 160 W CB 2.042 30.909 29.460 -0.989 0.000 1.470 160 W HN 0.181 7.799 8.180 -0.936 0.000 0.578 161 G N 0.072 108.726 108.800 -0.242 0.000 2.143 161 G HA2 -0.493 3.426 3.960 -0.068 0.000 0.249 161 G HA3 -0.493 3.399 3.960 -0.112 0.000 0.249 161 G C -1.503 173.212 174.900 -0.309 0.000 0.981 161 G CA 0.379 45.370 45.100 -0.182 0.000 0.665 161 G HN 0.253 8.693 8.290 -0.307 -0.334 0.528 162 F N -3.218 116.529 119.950 -0.338 0.000 2.403 162 F HA 0.174 4.570 4.527 -0.219 0.000 0.320 162 F C -0.481 175.261 175.800 -0.096 0.000 1.176 162 F CA -2.148 55.700 58.000 -0.254 0.000 1.206 162 F CB 0.220 39.020 39.000 -0.334 0.000 1.235 162 F HN -0.876 6.797 8.300 -0.962 0.049 0.565 163 L N 1.301 122.639 121.223 0.192 0.000 2.490 163 L HA -0.063 4.306 4.340 0.048 0.000 0.274 163 L C -0.748 176.225 176.870 0.172 0.000 1.201 163 L CA 0.638 55.551 54.840 0.122 0.000 0.869 163 L CB 0.816 42.947 42.059 0.121 0.000 1.123 163 L HN -0.101 8.273 8.230 0.241 0.000 0.484 164 R N 4.696 125.239 120.500 0.073 0.000 2.439 164 R HA 0.240 4.672 4.340 0.152 0.000 0.310 164 R C -1.650 174.699 176.300 0.080 0.000 0.955 164 R CA -1.003 55.147 56.100 0.083 0.000 0.853 164 R CB 1.227 31.525 30.300 -0.004 0.000 1.171 164 R HN 0.011 8.302 8.270 0.035 0.000 0.449 165 D N 5.364 125.831 120.400 0.112 0.000 3.009 165 D HA 0.151 4.831 4.640 0.066 0.000 0.318 165 D C -0.136 176.208 176.300 0.073 0.000 1.273 165 D CA -0.891 53.168 54.000 0.099 0.000 1.001 165 D CB 0.747 41.634 40.800 0.144 0.000 1.411 165 D HN -0.062 8.393 8.370 0.141 0.000 0.577 166 E N -2.051 118.155 120.200 0.010 0.000 2.516 166 E HA -0.164 4.130 4.350 -0.094 0.000 0.199 166 E C -0.178 176.259 176.600 -0.272 0.000 1.069 166 E CA 1.865 58.175 56.400 -0.149 0.000 0.876 166 E CB -0.839 28.713 29.700 -0.246 0.000 0.843 166 E HN 0.447 8.830 8.360 0.038 0.000 0.530 167 Y N -1.426 118.896 120.300 0.037 0.000 2.457 167 Y HA 0.105 4.673 4.550 0.031 0.000 0.263 167 Y C -0.419 175.509 175.900 0.048 0.000 1.164 167 Y CA 0.059 58.181 58.100 0.037 0.000 1.274 167 Y CB 0.604 39.085 38.460 0.035 0.000 1.097 167 Y HN -0.540 8.094 8.280 0.207 -0.229 0.523 168 T N 2.897 117.550 114.554 0.164 0.000 2.767 168 T HA 0.229 4.681 4.350 0.171 0.000 0.284 168 T C 0.381 175.151 174.700 0.117 0.000 0.973 168 T CA 0.481 62.679 62.100 0.163 0.000 0.996 168 T CB 0.741 69.729 68.868 0.200 0.000 0.927 168 T HN -0.563 7.690 8.240 0.130 0.064 0.456 169 T N 2.204 116.822 114.554 0.106 0.000 2.959 169 T HA 0.007 4.399 4.350 0.070 0.000 0.254 169 T C 0.409 175.165 174.700 0.093 0.000 1.003 169 T CA -0.056 62.089 62.100 0.075 0.000 0.950 169 T CB 0.560 69.450 68.868 0.037 0.000 1.090 169 T HN 0.207 8.511 8.240 0.107 0.000 0.503 170 L N 3.586 124.888 121.223 0.130 0.000 2.513 170 L HA -0.047 4.328 4.340 0.059 0.000 0.272 170 L C -0.694 176.340 176.870 0.273 0.000 1.187 170 L CA 0.154 55.078 54.840 0.141 0.000 0.895 170 L CB 0.662 42.764 42.059 0.072 0.000 1.147 170 L HN -0.513 7.800 8.230 0.139 0.000 0.483 171 K N 5.313 125.828 120.400 0.191 0.000 2.270 171 K HA 0.014 4.443 4.320 0.182 0.000 0.276 171 K C -0.898 175.868 176.600 0.277 0.000 1.023 171 K CA 0.070 56.478 56.287 0.201 0.000 0.955 171 K CB 0.451 33.034 32.500 0.139 0.000 0.975 171 K HN 0.237 8.559 8.250 0.120 0.000 0.471 172 E N 3.450 123.757 120.200 0.177 0.000 2.437 172 E HA -0.135 4.438 4.350 0.160 -0.126 0.263 172 E C -0.607 175.971 176.600 -0.038 0.000 1.030 172 E CA 1.061 57.465 56.400 0.007 0.000 0.934 172 E CB 0.682 30.221 29.700 -0.268 0.000 0.943 172 E HN 0.189 8.621 8.360 0.120 0.000 0.444 173 T N 1.853 116.302 114.554 -0.175 0.000 2.933 173 T HA 0.254 4.737 4.350 0.222 0.000 0.305 173 T C -0.911 173.711 174.700 -0.130 0.000 1.092 173 T CA -1.294 60.817 62.100 0.018 0.000 1.008 173 T CB 1.839 70.823 68.868 0.193 0.000 1.102 173 T HN 0.189 8.328 8.240 -0.168 0.000 0.469 174 W N 3.463 124.891 121.300 0.214 0.000 3.132 174 W HA 0.171 5.037 4.660 0.342 0.000 0.364 174 W C -1.038 175.584 176.519 0.170 0.000 1.129 174 W CA -0.599 56.868 57.345 0.204 0.000 1.815 174 W CB 1.423 30.906 29.460 0.038 0.000 1.099 174 W HN 0.403 8.988 8.180 0.676 0.000 0.605 175 D N -0.772 119.815 120.400 0.313 0.000 2.369 175 D HA 0.264 5.143 4.640 0.187 -0.128 0.212 175 D C -2.071 174.347 176.300 0.197 0.000 1.326 175 D CA 0.361 54.493 54.000 0.220 0.000 0.933 175 D CB 1.601 42.523 40.800 0.204 0.000 1.516 175 D HN -0.717 7.783 8.370 0.313 0.058 0.557 176 R N 1.854 122.440 120.500 0.144 0.000 2.855 176 R HA 0.381 4.822 4.340 0.169 0.000 0.266 176 R C -1.533 174.778 176.300 0.019 0.000 1.034 176 R CA -2.514 53.663 56.100 0.128 0.000 0.944 176 R CB 2.643 33.040 30.300 0.162 0.000 1.219 176 R HN 0.106 8.448 8.270 0.119 0.000 0.474 177 I N -0.584 119.952 120.570 -0.057 0.000 2.575 177 I HA 0.091 4.292 4.170 -0.188 -0.144 0.285 177 I C -0.254 175.819 176.117 -0.074 0.000 1.085 177 I CA 0.815 62.011 61.300 -0.173 0.000 1.403 177 I CB 0.848 38.605 38.000 -0.407 0.000 1.409 177 I HN 0.190 8.381 8.210 -0.031 0.000 0.557 178 L N 7.199 128.374 121.223 -0.080 0.000 2.376 178 L HA 0.475 4.829 4.340 0.024 0.000 0.275 178 L C -2.400 174.524 176.870 0.090 0.000 0.987 178 L CA -0.725 54.122 54.840 0.012 0.000 0.828 178 L CB 4.162 46.222 42.059 0.002 0.000 1.249 178 L HN 0.173 8.337 8.230 -0.111 0.000 0.409 179 S N 6.085 121.824 115.700 0.065 0.000 2.541 179 S HA 0.796 5.467 4.470 0.085 -0.150 0.280 179 S C -1.579 173.038 174.600 0.028 0.000 1.112 179 S CA -1.257 56.975 58.200 0.053 0.000 0.925 179 S CB 1.903 65.109 63.200 0.011 0.000 1.067 179 S HN 0.359 8.701 8.310 0.054 0.000 0.479 180 T N 4.160 118.689 114.554 -0.040 0.000 2.792 180 T HA 0.340 4.751 4.350 -0.042 -0.087 0.303 180 T C -2.684 171.963 174.700 -0.088 0.000 1.310 180 T CA -1.690 60.375 62.100 -0.058 0.000 1.007 180 T CB 1.942 70.785 68.868 -0.042 0.000 1.335 180 T HN 0.184 8.369 8.240 -0.092 0.000 0.504 181 D N 4.051 124.416 120.400 -0.058 0.000 2.441 181 D HA 0.329 5.071 4.640 -0.062 -0.139 0.231 181 D C -0.483 175.802 176.300 -0.026 0.000 1.073 181 D CA -0.436 53.536 54.000 -0.047 0.000 0.850 181 D CB 0.697 41.479 40.800 -0.030 0.000 1.062 181 D HN 0.259 8.601 8.370 -0.046 0.000 0.524 182 V N 4.079 123.977 119.914 -0.027 0.000 2.508 182 V HA -0.239 3.923 4.120 0.069 0.000 0.281 182 V C -1.649 174.466 176.094 0.034 0.000 1.041 182 V CA 0.878 63.199 62.300 0.035 0.000 1.016 182 V CB 0.511 32.363 31.823 0.049 0.000 0.984 182 V HN 0.538 8.586 8.190 -0.053 0.110 0.478 183 D N 8.834 129.257 120.400 0.038 0.000 2.453 183 D HA 0.490 5.309 4.640 -0.015 -0.187 0.238 183 D C -2.341 173.899 176.300 -0.099 0.000 1.088 183 D CA -1.681 52.311 54.000 -0.014 0.000 0.854 183 D CB 2.482 43.273 40.800 -0.015 0.000 1.076 183 D HN -0.326 8.086 8.370 0.070 0.000 0.533 184 A N 6.432 129.150 122.820 -0.170 0.000 2.330 184 A HA 0.988 5.076 4.320 -0.695 -0.185 0.313 184 A C -1.921 175.572 177.584 -0.152 0.000 1.124 184 A CA -1.853 49.928 52.037 -0.426 0.000 0.774 184 A CB 3.724 22.390 19.000 -0.556 0.000 1.198 184 A HN 0.585 8.688 8.150 -0.079 0.000 0.465 185 T N 5.817 120.270 114.554 -0.169 0.000 2.861 185 T HA 0.951 5.257 4.350 -0.399 -0.195 0.287 185 T C -1.542 173.157 174.700 -0.002 0.000 1.003 185 T CA -0.918 61.065 62.100 -0.195 0.000 0.977 185 T CB 2.562 71.322 68.868 -0.180 0.000 0.996 185 T HN 0.586 8.684 8.240 -0.237 0.000 0.448 186 W N 3.865 125.085 121.300 -0.134 0.000 2.587 186 W HA 0.656 5.357 4.660 -0.212 -0.168 0.324 186 W C -2.376 174.013 176.519 -0.217 0.000 1.040 186 W CA -2.889 54.323 57.345 -0.221 0.000 1.222 186 W CB 1.682 30.955 29.460 -0.312 0.000 1.381 186 W HN 1.022 8.788 8.180 -0.689 0.000 0.483 187 Q N 4.294 124.039 119.800 -0.092 0.000 2.331 187 Q HA 0.418 4.870 4.340 -0.022 -0.125 0.257 187 Q C -0.873 175.062 176.000 -0.108 0.000 0.957 187 Q CA -1.488 54.274 55.803 -0.069 0.000 0.923 187 Q CB 1.832 30.552 28.738 -0.030 0.000 1.212 187 Q HN 0.322 8.562 8.270 -0.049 0.000 0.443 188 W N 7.559 128.898 121.300 0.065 0.000 2.184 188 W HA 0.045 4.863 4.660 0.056 -0.125 0.338 188 W C 0.642 177.048 176.519 -0.189 0.000 1.257 188 W CA 0.090 57.439 57.345 0.007 0.000 1.243 188 W CB 1.004 30.550 29.460 0.144 0.000 1.122 188 W HN 0.124 8.475 8.180 0.285 0.000 0.585 189 K N 2.648 123.021 120.400 -0.044 0.000 2.561 189 K HA -0.361 4.060 4.320 -0.132 -0.180 0.280 189 K C 0.190 176.508 176.600 -0.470 0.000 0.975 189 K CA 0.723 56.881 56.287 -0.215 0.000 1.024 189 K CB 0.663 33.041 32.500 -0.204 0.000 0.883 189 K HN -0.077 8.196 8.250 0.037 0.000 0.496 190 N N 3.691 122.228 118.700 -0.271 0.000 2.412 190 N HA -0.274 4.351 4.740 -0.191 0.000 0.254 190 N C -0.530 174.789 175.510 -0.319 0.000 1.232 190 N CA 1.545 54.459 53.050 -0.227 0.000 0.880 190 N CB 0.407 38.852 38.487 -0.070 0.000 1.076 190 N HN 0.190 8.469 8.380 -0.167 0.000 0.458 191 F N 3.379 123.386 119.950 0.095 0.000 2.425 191 F HA 0.268 5.006 4.527 0.102 -0.149 0.331 191 F C 1.062 176.899 175.800 0.062 0.000 1.085 191 F CA -1.372 56.682 58.000 0.089 0.000 1.028 191 F CB 2.211 41.267 39.000 0.094 0.000 1.177 191 F HN -0.051 8.241 8.300 -0.013 0.000 0.487 192 S N 0.523 116.373 115.700 0.249 0.000 2.481 192 S HA -0.010 4.527 4.470 0.111 0.000 0.231 192 S C 0.385 175.051 174.600 0.110 0.000 0.996 192 S CA 1.708 59.991 58.200 0.138 0.000 0.942 192 S CB 0.844 64.109 63.200 0.107 0.000 0.768 192 S HN 0.507 9.359 8.310 0.292 -0.367 0.520 193 G N -1.072 107.804 108.800 0.127 0.000 2.317 193 G HA2 -0.031 3.965 3.960 0.059 0.000 0.293 193 G HA3 -0.031 3.956 3.960 0.045 0.000 0.293 193 G C -1.694 173.226 174.900 0.034 0.000 1.287 193 G CA -0.372 44.767 45.100 0.066 0.000 0.850 193 G HN -0.892 7.454 8.290 0.181 0.053 0.515 194 L N -1.076 120.143 121.223 -0.008 0.000 2.083 194 L HA -0.356 3.944 4.340 -0.066 0.000 0.209 194 L C 1.459 178.295 176.870 -0.058 0.000 1.083 194 L CA 2.933 57.744 54.840 -0.048 0.000 0.752 194 L CB 0.114 42.141 42.059 -0.054 0.000 0.899 194 L HN 0.299 8.525 8.230 -0.007 0.000 0.433 195 Q N -1.320 118.459 119.800 -0.036 0.000 2.096 195 Q HA -0.395 3.912 4.340 -0.056 0.000 0.204 195 Q C 2.165 178.128 176.000 -0.061 0.000 0.982 195 Q CA 3.900 59.676 55.803 -0.045 0.000 0.850 195 Q CB -0.666 28.056 28.738 -0.026 0.000 0.901 195 Q HN 0.352 8.609 8.270 -0.022 0.000 0.422 196 E N -0.918 119.271 120.200 -0.018 0.000 2.106 196 E HA -0.247 4.088 4.350 -0.024 0.000 0.192 196 E C 2.812 179.329 176.600 -0.138 0.000 0.984 196 E CA 2.596 59.001 56.400 0.009 0.000 0.806 196 E CB -0.319 29.503 29.700 0.203 0.000 0.750 196 E HN -0.460 7.906 8.360 0.011 0.000 0.458 197 V N 0.190 119.942 119.914 -0.270 0.000 2.287 197 V HA -0.546 3.061 4.120 -0.855 0.000 0.248 197 V C 2.329 178.305 176.094 -0.198 0.000 1.053 197 V CA 4.413 66.443 62.300 -0.450 0.000 1.027 197 V CB -0.183 31.429 31.823 -0.351 0.000 0.646 197 V HN -0.613 7.475 8.190 -0.170 0.000 0.447 198 R N -1.058 119.357 120.500 -0.142 0.000 2.096 198 R HA -0.330 3.969 4.340 -0.068 0.000 0.235 198 R C 2.708 178.921 176.300 -0.145 0.000 1.127 198 R CA 3.421 59.459 56.100 -0.103 0.000 0.968 198 R CB -0.424 29.824 30.300 -0.087 0.000 0.861 198 R HN -0.175 8.012 8.270 -0.139 0.000 0.440 199 S N -1.856 113.708 115.700 -0.226 0.000 2.447 199 S HA -0.190 4.133 4.470 -0.243 0.000 0.233 199 S C 0.735 175.044 174.600 -0.485 0.000 1.006 199 S CA 2.318 60.311 58.200 -0.345 0.000 0.957 199 S CB 0.001 62.945 63.200 -0.428 0.000 0.773 199 S HN -0.377 7.691 8.310 -0.212 0.115 0.507 200 H N -1.573 117.368 119.070 -0.215 0.000 2.542 200 H HA 0.228 4.644 4.556 -0.234 0.000 0.283 200 H C 1.160 176.203 175.328 -0.475 0.000 1.059 200 H CA -0.697 55.146 56.048 -0.342 0.000 1.162 200 H CB 0.335 29.818 29.762 -0.465 0.000 1.539 200 H HN -0.571 7.382 8.280 -0.285 0.156 0.543 201 V N 2.653 122.479 119.914 -0.146 0.000 2.324 201 V HA -0.291 3.950 4.120 0.203 0.000 0.250 201 V C -0.185 175.891 176.094 -0.030 0.000 1.060 201 V CA 6.017 68.322 62.300 0.008 0.000 1.042 201 V CB -2.597 29.256 31.823 0.050 0.000 0.650 201 V HN -0.745 7.309 8.190 -0.120 0.064 0.450 202 P HA -0.154 4.290 4.420 0.040 0.000 0.220 202 P C 0.971 178.270 177.300 -0.001 0.000 1.148 202 P CA 2.433 65.535 63.100 0.003 0.000 0.803 202 P CB -0.569 31.133 31.700 0.004 0.000 0.782 203 K N -2.540 117.788 120.400 -0.121 0.000 2.283 203 K HA -0.245 4.105 4.320 0.050 0.000 0.202 203 K C 1.994 178.625 176.600 0.051 0.000 1.048 203 K CA 2.794 59.042 56.287 -0.065 0.000 0.948 203 K CB -0.414 32.012 32.500 -0.123 0.000 0.742 203 K HN -0.393 7.704 8.250 -0.196 0.036 0.458 204 F N -0.827 119.216 119.950 0.155 0.000 2.084 204 F HA -0.311 4.487 4.527 0.450 0.000 0.296 204 F C 1.823 177.843 175.800 0.366 0.000 1.111 204 F CA 3.985 62.141 58.000 0.261 0.000 1.224 204 F CB -0.543 38.485 39.000 0.046 0.000 0.991 204 F HN -0.530 7.586 8.300 -0.245 0.037 0.471 205 D N -1.170 119.477 120.400 0.411 0.000 2.144 205 D HA -0.302 4.591 4.640 0.422 0.000 0.199 205 D C 2.119 178.663 176.300 0.406 0.000 0.984 205 D CA 3.169 57.396 54.000 0.378 0.000 0.834 205 D CB -0.663 40.278 40.800 0.236 0.000 0.955 205 D HN -0.094 8.483 8.370 0.346 0.000 0.465 206 A N -0.617 122.371 122.820 0.279 0.000 1.902 206 A HA -0.371 4.056 4.320 0.179 0.000 0.217 206 A C 1.564 179.244 177.584 0.160 0.000 1.181 206 A CA 3.303 55.455 52.037 0.191 0.000 0.623 206 A CB -0.670 18.404 19.000 0.123 0.000 0.818 206 A HN -0.555 7.744 8.150 0.247 0.000 0.443 207 T N 0.794 115.487 114.554 0.231 0.000 2.896 207 T HA -0.220 4.079 4.350 -0.085 0.000 0.263 207 T C 1.452 176.088 174.700 -0.107 0.000 1.050 207 T CA 4.301 66.429 62.100 0.047 0.000 1.140 207 T CB -0.079 68.895 68.868 0.177 0.000 0.877 207 T HN -0.381 8.060 8.240 0.335 0.000 0.457 208 W N 2.768 124.139 121.300 0.119 0.000 2.335 208 W HA -0.479 4.233 4.660 0.085 0.000 0.311 208 W C 0.593 177.111 176.519 -0.003 0.000 1.213 208 W CA 4.524 61.973 57.345 0.173 0.000 1.274 208 W CB -0.340 29.378 29.460 0.429 0.000 1.148 208 W HN -0.247 8.317 8.180 0.641 0.000 0.498 209 A N -2.582 120.242 122.820 0.007 0.000 1.902 209 A HA -0.419 3.486 4.320 -0.691 0.000 0.217 209 A C 2.205 179.596 177.584 -0.321 0.000 1.181 209 A CA 3.288 55.156 52.037 -0.283 0.000 0.623 209 A CB -0.959 18.077 19.000 0.059 0.000 0.818 209 A HN -0.068 8.311 8.150 0.382 0.000 0.443 210 T N 1.620 116.035 114.554 -0.231 0.000 2.746 210 T HA -0.353 3.884 4.350 -0.189 0.000 0.267 210 T C 1.730 176.228 174.700 -0.335 0.000 1.039 210 T CA 4.674 66.629 62.100 -0.242 0.000 1.142 210 T CB -0.283 68.461 68.868 -0.207 0.000 0.866 210 T HN -0.327 7.818 8.240 -0.158 0.000 0.444 211 A N 1.793 124.305 122.820 -0.514 0.000 1.902 211 A HA -0.373 3.691 4.320 -0.427 0.000 0.217 211 A C 1.594 178.956 177.584 -0.371 0.000 1.181 211 A CA 3.361 55.074 52.037 -0.541 0.000 0.623 211 A CB -0.629 17.756 19.000 -1.026 0.000 0.818 211 A HN 0.126 7.927 8.150 -0.581 0.000 0.443 212 R N -1.504 118.697 120.500 -0.499 0.000 2.073 212 R HA -0.363 3.800 4.340 -0.295 0.000 0.234 212 R C 1.854 178.001 176.300 -0.255 0.000 1.134 212 R CA 3.540 59.393 56.100 -0.411 0.000 0.952 212 R CB -0.073 29.807 30.300 -0.701 0.000 0.850 212 R HN -0.189 7.687 8.270 -0.658 0.000 0.433 213 E N -0.518 119.532 120.200 -0.251 0.000 2.072 213 E HA -0.271 4.002 4.350 -0.128 0.000 0.191 213 E C 2.520 179.056 176.600 -0.106 0.000 0.985 213 E CA 3.122 59.431 56.400 -0.151 0.000 0.801 213 E CB -0.015 29.605 29.700 -0.133 0.000 0.750 213 E HN -0.412 7.762 8.360 -0.310 0.000 0.452 214 V N -1.036 118.806 119.914 -0.120 0.000 2.343 214 V HA -0.380 3.698 4.120 -0.069 0.000 0.247 214 V C 2.270 178.340 176.094 -0.040 0.000 1.051 214 V CA 4.426 66.677 62.300 -0.081 0.000 1.036 214 V CB -0.801 30.962 31.823 -0.099 0.000 0.654 214 V HN 0.213 8.308 8.190 -0.159 0.000 0.451 215 T N 2.684 117.222 114.554 -0.027 0.000 2.652 215 T HA -0.338 4.040 4.350 0.047 0.000 0.267 215 T C 2.242 176.964 174.700 0.037 0.000 1.039 215 T CA 5.243 67.362 62.100 0.032 0.000 1.153 215 T CB -0.202 68.707 68.868 0.069 0.000 0.863 215 T HN -0.412 7.791 8.240 -0.062 0.000 0.428 216 L N 0.032 121.254 121.223 -0.000 0.000 2.044 216 L HA -0.362 4.007 4.340 0.049 0.000 0.205 216 L C 1.704 178.618 176.870 0.073 0.000 1.075 216 L CA 3.613 58.472 54.840 0.032 0.000 0.747 216 L CB -0.497 41.553 42.059 -0.014 0.000 0.903 216 L HN -0.250 7.958 8.230 -0.036 0.000 0.435 217 K N -1.052 119.362 120.400 0.023 0.000 2.057 217 K HA -0.354 3.980 4.320 0.024 0.000 0.207 217 K C 2.461 179.075 176.600 0.022 0.000 1.049 217 K CA 3.513 59.810 56.287 0.017 0.000 0.931 217 K CB -0.063 32.430 32.500 -0.011 0.000 0.714 217 K HN -0.145 8.103 8.250 -0.003 0.000 0.440 218 T N 1.205 115.771 114.554 0.020 0.000 2.777 218 T HA -0.241 4.100 4.350 -0.015 0.000 0.266 218 T C 1.504 176.221 174.700 0.028 0.000 1.040 218 T CA 4.748 66.850 62.100 0.004 0.000 1.141 218 T CB -0.287 68.569 68.868 -0.021 0.000 0.868 218 T HN -0.346 7.903 8.240 0.015 0.000 0.444 219 F N 3.088 123.001 119.950 -0.062 0.000 2.095 219 F HA -0.500 3.989 4.527 -0.063 0.000 0.298 219 F C 0.344 176.118 175.800 -0.043 0.000 1.104 219 F CA 3.990 61.956 58.000 -0.056 0.000 1.232 219 F CB -0.233 38.737 39.000 -0.050 0.000 0.987 219 F HN -0.250 8.173 8.300 0.206 0.000 0.475 220 A N -2.968 119.890 122.820 0.063 0.000 1.969 220 A HA -0.327 3.951 4.320 -0.070 0.000 0.218 220 A C 1.948 179.481 177.584 -0.085 0.000 1.169 220 A CA 2.931 54.957 52.037 -0.019 0.000 0.635 220 A CB -0.487 18.549 19.000 0.061 0.000 0.810 220 A HN -0.180 8.071 8.150 0.169 0.000 0.445 221 E N -4.656 115.508 120.200 -0.061 0.000 2.431 221 E HA -0.032 4.289 4.350 -0.050 0.000 0.200 221 E C -0.396 176.165 176.600 -0.066 0.000 0.995 221 E CA -0.025 56.344 56.400 -0.052 0.000 0.915 221 E CB 1.115 30.799 29.700 -0.027 0.000 0.930 221 E HN -0.495 7.840 8.360 -0.041 0.000 0.496 222 D N 1.055 121.401 120.400 -0.090 0.000 2.348 222 D HA -0.065 4.544 4.640 -0.052 0.000 0.253 222 D C -1.575 174.668 176.300 -0.096 0.000 1.161 222 D CA 0.563 54.515 54.000 -0.080 0.000 0.876 222 D CB 0.850 41.601 40.800 -0.082 0.000 1.160 222 D HN -0.524 7.784 8.370 -0.104 0.000 0.459 223 N N 6.064 124.735 118.700 -0.049 0.000 2.508 223 N HA -0.116 4.753 4.740 -0.049 -0.159 0.253 223 N C -0.673 174.825 175.510 -0.020 0.000 1.145 223 N CA -0.334 52.700 53.050 -0.027 0.000 0.973 223 N CB -0.187 38.309 38.487 0.016 0.000 1.305 223 N HN 0.190 8.551 8.380 -0.032 0.000 0.506 224 S N 5.854 121.522 115.700 -0.054 0.000 2.505 224 S HA 0.027 4.625 4.470 -0.056 -0.162 0.276 224 S C 0.629 175.212 174.600 -0.029 0.000 1.274 224 S CA -0.184 57.982 58.200 -0.056 0.000 1.053 224 S CB 1.435 64.575 63.200 -0.099 0.000 0.919 224 S HN -0.451 7.813 8.310 -0.077 0.000 0.490 225 A N 6.800 129.590 122.820 -0.049 0.000 2.123 225 A HA -0.082 4.150 4.320 -0.147 0.000 0.214 225 A C -0.845 176.717 177.584 -0.037 0.000 1.152 225 A CA 0.975 52.945 52.037 -0.112 0.000 0.728 225 A CB 0.186 19.086 19.000 -0.167 0.000 0.814 225 A HN 0.861 8.982 8.150 -0.049 0.000 0.464 226 S N -7.878 107.828 115.700 0.010 0.000 2.686 226 S HA 0.046 4.552 4.470 0.060 0.000 0.273 226 S C -0.430 174.151 174.600 -0.032 0.000 1.060 226 S CA -0.836 57.392 58.200 0.046 0.000 0.845 226 S CB 0.989 64.269 63.200 0.133 0.000 1.086 226 S HN -0.838 7.413 8.310 -0.021 0.047 0.461 227 V N 3.093 122.959 119.914 -0.079 0.000 2.332 227 V HA -0.439 3.657 4.120 -0.040 0.000 0.248 227 V C 1.725 177.797 176.094 -0.038 0.000 1.055 227 V CA 4.078 66.343 62.300 -0.058 0.000 1.038 227 V CB -0.327 31.450 31.823 -0.077 0.000 0.651 227 V HN 0.507 8.613 8.190 -0.140 0.000 0.450 228 Q N -0.875 118.908 119.800 -0.028 0.000 2.045 228 Q HA -0.310 4.033 4.340 0.005 0.000 0.206 228 Q C 2.409 178.414 176.000 0.008 0.000 0.991 228 Q CA 3.702 59.503 55.803 -0.004 0.000 0.851 228 Q CB -0.912 27.826 28.738 0.001 0.000 0.911 228 Q HN 0.378 8.625 8.270 -0.039 0.000 0.418 229 A N -2.185 120.632 122.820 -0.005 0.000 1.897 229 A HA -0.190 4.133 4.320 0.006 0.000 0.215 229 A C 2.282 179.877 177.584 0.019 0.000 1.181 229 A CA 3.046 55.084 52.037 0.000 0.000 0.620 229 A CB -0.709 18.273 19.000 -0.030 0.000 0.821 229 A HN -0.531 7.612 8.150 -0.012 0.000 0.443 230 T N 1.392 115.933 114.554 -0.020 0.000 2.812 230 T HA -0.220 4.203 4.350 -0.038 -0.095 0.264 230 T C 1.881 176.521 174.700 -0.100 0.000 1.042 230 T CA 4.650 66.722 62.100 -0.046 0.000 1.140 230 T CB 0.145 68.981 68.868 -0.052 0.000 0.870 230 T HN -0.597 7.628 8.240 -0.026 0.000 0.445 231 M N 0.257 119.777 119.600 -0.134 0.000 2.213 231 M HA -0.232 3.920 4.480 -0.547 0.000 0.263 231 M C 1.418 177.576 176.300 -0.238 0.000 1.062 231 M CA 3.664 58.764 55.300 -0.333 0.000 1.105 231 M CB -0.726 31.707 32.600 -0.278 0.000 1.385 231 M HN -0.247 7.991 8.290 -0.086 0.000 0.417 232 Y N 1.596 121.807 120.300 -0.149 0.000 2.181 232 Y HA -0.421 4.095 4.550 -0.057 0.000 0.288 232 Y C 1.340 177.190 175.900 -0.082 0.000 1.146 232 Y CA 4.131 62.182 58.100 -0.082 0.000 1.164 232 Y CB 0.142 38.572 38.460 -0.049 0.000 0.982 232 Y HN -0.565 7.761 8.280 0.103 0.016 0.515 233 K N -1.200 119.189 120.400 -0.019 0.000 2.097 233 K HA -0.355 4.133 4.320 -0.069 -0.209 0.206 233 K C 2.546 179.055 176.600 -0.152 0.000 1.049 233 K CA 2.989 59.231 56.287 -0.076 0.000 0.933 233 K CB -0.184 32.303 32.500 -0.022 0.000 0.717 233 K HN -0.733 7.550 8.250 0.055 0.000 0.442 234 M N -1.159 118.326 119.600 -0.191 0.000 2.067 234 M HA -0.359 4.052 4.480 -0.116 0.000 0.260 234 M C 2.048 178.289 176.300 -0.098 0.000 1.069 234 M CA 4.069 59.267 55.300 -0.170 0.000 1.117 234 M CB 0.085 32.482 32.600 -0.339 0.000 1.334 234 M HN -0.637 7.524 8.290 -0.215 0.000 0.407 235 A N -1.696 121.053 122.820 -0.118 0.000 1.902 235 A HA -0.433 3.963 4.320 0.128 0.000 0.217 235 A C 1.562 179.037 177.584 -0.182 0.000 1.181 235 A CA 3.426 55.444 52.037 -0.032 0.000 0.623 235 A CB -0.764 18.223 19.000 -0.021 0.000 0.818 235 A HN -0.293 7.727 8.150 -0.218 0.000 0.443 236 E N -2.375 117.624 120.200 -0.335 0.000 2.106 236 E HA -0.436 3.749 4.350 -0.275 0.000 0.192 236 E C 2.347 178.847 176.600 -0.167 0.000 0.984 236 E CA 2.870 59.093 56.400 -0.294 0.000 0.806 236 E CB -0.644 28.841 29.700 -0.359 0.000 0.750 236 E HN -0.166 7.942 8.360 -0.421 0.000 0.458 237 Q N -0.569 119.146 119.800 -0.141 0.000 2.119 237 Q HA -0.247 4.036 4.340 -0.096 0.000 0.201 237 Q C 2.822 178.751 176.000 -0.119 0.000 0.972 237 Q CA 2.646 58.384 55.803 -0.108 0.000 0.847 237 Q CB 0.052 28.734 28.738 -0.093 0.000 0.903 237 Q HN -0.725 7.453 8.270 -0.152 0.000 0.433 238 I N -0.011 120.480 120.570 -0.131 0.000 2.252 238 I HA -0.449 3.605 4.170 -0.193 0.000 0.245 238 I C 2.474 178.488 176.117 -0.173 0.000 1.102 238 I CA 3.737 64.931 61.300 -0.177 0.000 1.385 238 I CB -0.046 37.833 38.000 -0.203 0.000 1.064 238 I HN -0.555 7.585 8.210 -0.118 0.000 0.414 239 L N -0.629 120.508 121.223 -0.143 0.000 2.083 239 L HA -0.325 3.930 4.340 -0.142 0.000 0.209 239 L C 2.166 178.973 176.870 -0.106 0.000 1.083 239 L CA 3.033 57.796 54.840 -0.127 0.000 0.752 239 L CB -0.509 41.484 42.059 -0.109 0.000 0.899 239 L HN -0.291 7.857 8.230 -0.136 0.000 0.433 240 A N -2.939 119.823 122.820 -0.097 0.000 2.067 240 A HA -0.172 4.110 4.320 -0.062 0.000 0.219 240 A C 1.030 178.572 177.584 -0.070 0.000 1.158 240 A CA 2.161 54.155 52.037 -0.073 0.000 0.661 240 A CB -0.492 18.469 19.000 -0.065 0.000 0.801 240 A HN -0.435 7.636 8.150 -0.105 0.016 0.452 241 R N -4.312 116.133 120.500 -0.091 0.000 2.362 241 R HA 0.051 4.353 4.340 -0.062 0.000 0.227 241 R C -0.162 176.088 176.300 -0.083 0.000 0.905 241 R CA -0.041 56.009 56.100 -0.083 0.000 1.067 241 R CB 1.006 31.247 30.300 -0.098 0.000 1.078 241 R HN -0.658 7.385 8.270 -0.109 0.161 0.516 242 Q N -0.670 119.068 119.800 -0.102 0.000 2.483 242 Q HA 0.152 4.464 4.340 -0.046 0.000 0.245 242 Q C -0.921 175.029 176.000 -0.083 0.000 0.902 242 Q CA -0.885 54.863 55.803 -0.090 0.000 0.767 242 Q CB 0.538 29.181 28.738 -0.158 0.000 1.341 242 Q HN -0.631 7.570 8.270 -0.115 0.000 0.453 243 Q N 4.462 124.241 119.800 -0.034 0.000 2.291 243 Q HA -0.257 4.060 4.340 -0.039 0.000 0.206 243 Q C 0.704 176.691 176.000 -0.021 0.000 0.976 243 Q CA 2.369 58.157 55.803 -0.026 0.000 0.875 243 Q CB 0.046 28.782 28.738 -0.002 0.000 0.927 243 Q HN 0.390 8.650 8.270 -0.017 0.000 0.450 244 L N -3.492 117.737 121.223 0.010 0.000 2.599 244 L HA -0.001 4.359 4.340 0.034 0.000 0.230 244 L C -0.942 175.936 176.870 0.013 0.000 1.141 244 L CA -0.150 54.732 54.840 0.069 0.000 0.877 244 L CB -0.257 41.930 42.059 0.214 0.000 1.009 244 L HN -0.553 7.939 8.230 0.025 -0.247 0.447 245 I N -5.885 114.575 120.570 -0.184 0.000 2.428 245 I HA 0.305 4.399 4.170 -0.295 -0.101 0.296 245 I C -0.263 175.766 176.117 -0.146 0.000 0.985 245 I CA -1.215 59.910 61.300 -0.291 0.000 1.260 245 I CB 1.769 39.489 38.000 -0.466 0.000 1.389 245 I HN -0.801 7.248 8.210 -0.180 0.052 0.484 246 E N 2.727 122.859 120.200 -0.113 0.000 2.201 246 E HA 0.063 4.377 4.350 -0.060 0.000 0.193 246 E C -0.106 176.460 176.600 -0.056 0.000 0.957 246 E CA 1.559 57.918 56.400 -0.067 0.000 0.858 246 E CB 1.925 31.596 29.700 -0.048 0.000 0.816 246 E HN 0.488 8.774 8.360 -0.125 0.000 0.475 247 T N -6.043 108.477 114.554 -0.056 0.000 2.883 247 T HA 0.673 5.161 4.350 -0.029 -0.156 0.301 247 T C -2.066 172.624 174.700 -0.018 0.000 1.158 247 T CA -1.655 60.428 62.100 -0.030 0.000 1.007 247 T CB 3.407 72.268 68.868 -0.011 0.000 1.186 247 T HN -0.783 7.415 8.240 -0.070 0.000 0.499 248 V N 0.774 120.691 119.914 0.003 0.000 2.588 248 V HA 0.636 4.974 4.120 0.051 -0.188 0.304 248 V C -2.328 173.797 176.094 0.052 0.000 1.042 248 V CA -1.409 60.913 62.300 0.036 0.000 0.877 248 V CB 3.324 35.172 31.823 0.043 0.000 0.996 248 V HN 0.504 8.694 8.190 0.001 0.000 0.425 249 E N 6.446 126.651 120.200 0.008 0.000 2.199 249 E HA 0.832 5.436 4.350 0.086 -0.203 0.269 249 E C -1.879 174.688 176.600 -0.056 0.000 0.899 249 E CA -2.580 53.835 56.400 0.024 0.000 0.772 249 E CB 4.411 34.106 29.700 -0.008 0.000 1.155 249 E HN 0.626 8.972 8.360 -0.024 0.000 0.408 250 Y N 5.109 125.429 120.300 0.034 0.000 2.429 250 Y HA 0.748 5.506 4.550 0.037 -0.185 0.342 250 Y C -1.223 174.687 175.900 0.018 0.000 1.004 250 Y CA -1.401 56.717 58.100 0.031 0.000 1.075 250 Y CB 4.393 42.870 38.460 0.029 0.000 1.214 250 Y HN 0.359 8.796 8.280 0.263 0.000 0.455 251 S N 1.803 117.588 115.700 0.141 0.000 2.756 251 S HA 0.534 5.209 4.470 0.084 -0.155 0.303 251 S C -1.868 172.781 174.600 0.081 0.000 1.135 251 S CA -1.245 57.005 58.200 0.083 0.000 1.066 251 S CB 1.154 64.373 63.200 0.031 0.000 1.008 251 S HN 0.329 8.709 8.310 0.116 0.000 0.482 252 L N 6.857 128.119 121.223 0.064 0.000 2.372 252 L HA 0.695 5.059 4.340 0.040 0.000 0.274 252 L C -2.189 174.677 176.870 -0.007 0.000 0.988 252 L CA -2.986 51.878 54.840 0.039 0.000 0.833 252 L CB 3.381 45.470 42.059 0.049 0.000 1.236 252 L HN 0.494 8.758 8.230 0.056 0.000 0.410 253 P HA 0.361 4.935 4.420 -0.068 -0.195 0.275 253 P C -1.155 176.083 177.300 -0.102 0.000 1.228 253 P CA -1.312 61.747 63.100 -0.068 0.000 0.786 253 P CB 0.870 32.529 31.700 -0.067 0.000 0.927 254 N N 2.683 121.273 118.700 -0.183 0.000 2.527 254 N HA 0.199 4.837 4.740 -0.171 0.000 0.236 254 N C -1.128 174.063 175.510 -0.532 0.000 0.999 254 N CA -1.287 51.597 53.050 -0.277 0.000 0.935 254 N CB 0.964 39.302 38.487 -0.248 0.000 1.132 254 N HN 0.147 8.301 8.380 -0.181 0.118 0.511 255 K N 6.465 126.705 120.400 -0.267 0.000 2.219 255 K HA 0.100 4.247 4.320 -0.289 0.000 0.280 255 K C -1.133 175.415 176.600 -0.087 0.000 1.104 255 K CA -0.895 55.274 56.287 -0.197 0.000 0.925 255 K CB -0.197 32.288 32.500 -0.026 0.000 1.261 255 K HN -0.392 7.772 8.250 -0.145 0.000 0.445 256 H N 3.117 122.190 119.070 0.004 0.000 2.732 256 H HA -0.017 4.653 4.556 0.189 0.000 0.351 256 H C -0.885 174.426 175.328 -0.028 0.000 1.090 256 H CA 0.287 56.373 56.048 0.062 0.000 1.431 256 H CB 0.905 30.670 29.762 0.005 0.000 1.447 256 H HN 0.049 8.098 8.280 -0.385 0.000 0.582 257 Y N 1.480 121.885 120.300 0.175 0.000 2.345 257 Y HA 0.082 4.821 4.550 0.108 -0.124 0.331 257 Y C -0.633 175.571 175.900 0.507 0.000 0.959 257 Y CA -1.251 56.962 58.100 0.187 0.000 1.204 257 Y CB 0.944 39.424 38.460 0.033 0.000 1.135 257 Y HN 0.244 8.875 8.280 0.586 0.000 0.477 258 F N 3.980 124.141 119.950 0.352 0.000 2.394 258 F HA 0.208 4.912 4.527 0.295 0.000 0.340 258 F C 0.055 176.043 175.800 0.314 0.000 1.105 258 F CA -3.173 55.004 58.000 0.295 0.000 1.124 258 F CB 1.374 40.461 39.000 0.144 0.000 1.145 258 F HN 0.305 8.816 8.300 0.352 0.000 0.505 259 E N 1.023 121.427 120.200 0.340 0.000 2.418 259 E HA -0.097 3.947 4.350 -0.510 0.000 0.261 259 E C -0.585 176.011 176.600 -0.008 0.000 1.070 259 E CA 1.054 57.398 56.400 -0.094 0.000 0.931 259 E CB 0.716 30.359 29.700 -0.095 0.000 0.954 259 E HN 0.375 8.953 8.360 0.363 0.000 0.439 260 I N 2.588 123.099 120.570 -0.098 0.000 2.420 260 I HA 0.036 4.250 4.170 0.072 0.000 0.282 260 I C -1.627 174.502 176.117 0.020 0.000 1.019 260 I CA -1.257 60.053 61.300 0.017 0.000 1.130 260 I CB 1.295 39.320 38.000 0.042 0.000 1.262 260 I HN 0.243 8.307 8.210 -0.244 0.000 0.454 261 D N 7.844 128.293 120.400 0.083 0.000 2.358 261 D HA -0.034 4.637 4.640 0.052 0.000 0.258 261 D C -0.635 175.786 176.300 0.202 0.000 1.223 261 D CA 0.207 54.274 54.000 0.112 0.000 0.886 261 D CB 0.391 41.275 40.800 0.140 0.000 1.120 261 D HN 0.311 8.737 8.370 0.094 0.000 0.482 262 L N 4.013 125.249 121.223 0.022 0.000 2.857 262 L HA 0.263 4.429 4.340 -0.290 0.000 0.249 262 L C 1.135 177.758 176.870 -0.411 0.000 1.172 262 L CA -0.640 54.056 54.840 -0.239 0.000 0.980 262 L CB -0.072 41.858 42.059 -0.216 0.000 1.299 262 L HN 0.219 8.443 8.230 -0.010 0.000 0.535 263 S N 1.964 117.588 115.700 -0.127 0.000 2.481 263 S HA -0.122 4.494 4.470 -0.122 -0.219 0.231 263 S C 1.584 176.147 174.600 -0.063 0.000 0.996 263 S CA 2.788 60.936 58.200 -0.085 0.000 0.942 263 S CB 0.267 63.472 63.200 0.010 0.000 0.768 263 S HN 0.060 8.620 8.310 0.004 -0.247 0.520 264 W N -1.245 120.084 121.300 0.048 0.000 2.611 264 W HA -0.116 4.562 4.660 0.030 0.000 0.251 264 W C -0.501 176.065 176.519 0.079 0.000 1.265 264 W CA -0.581 56.794 57.345 0.050 0.000 1.295 264 W CB -0.816 28.673 29.460 0.048 0.000 1.129 264 W HN -0.402 7.804 8.180 0.099 0.034 0.630 265 H N 3.059 121.637 119.070 -0.820 0.000 2.691 265 H HA 0.170 4.468 4.556 -0.429 0.000 0.281 265 H C -0.926 174.184 175.328 -0.364 0.000 1.121 265 H CA -0.434 55.188 56.048 -0.710 0.000 1.254 265 H CB -0.140 28.882 29.762 -1.233 0.000 1.390 265 H HN -0.480 7.100 8.280 -0.877 0.174 0.491 266 K N 4.424 124.540 120.400 -0.473 0.000 3.088 266 K HA -0.497 3.666 4.320 -0.263 0.000 0.273 266 K C -0.393 176.097 176.600 -0.183 0.000 1.111 266 K CA 0.641 56.729 56.287 -0.331 0.000 0.803 266 K CB -1.892 30.361 32.500 -0.412 0.000 1.226 266 K HN 0.953 8.955 8.250 -0.414 0.000 0.485 267 G N -4.297 104.414 108.800 -0.148 0.000 2.168 267 G HA2 -0.400 3.636 3.960 -0.072 0.000 0.257 267 G HA3 -0.400 3.515 3.960 -0.074 0.000 0.257 267 G C 0.244 175.091 174.900 -0.089 0.000 0.997 267 G CA 0.381 45.426 45.100 -0.092 0.000 0.708 267 G HN -0.396 7.754 8.290 -0.161 0.043 0.520 268 L N -1.787 119.365 121.223 -0.118 0.000 2.490 268 L HA -0.135 4.165 4.340 -0.067 0.000 0.274 268 L C -0.990 175.834 176.870 -0.076 0.000 1.201 268 L CA 0.451 55.238 54.840 -0.089 0.000 0.869 268 L CB 0.631 42.633 42.059 -0.096 0.000 1.123 268 L HN -0.746 7.352 8.230 -0.156 0.039 0.484 269 Q N 3.900 123.670 119.800 -0.050 0.000 2.372 269 Q HA 0.113 4.432 4.340 -0.036 0.000 0.259 269 Q C -1.148 174.830 176.000 -0.036 0.000 0.993 269 Q CA -0.128 55.654 55.803 -0.036 0.000 0.854 269 Q CB 0.401 29.126 28.738 -0.022 0.000 1.231 269 Q HN 0.141 8.384 8.270 -0.044 0.000 0.462 270 N N 3.754 122.425 118.700 -0.047 0.000 2.307 270 N HA 0.157 5.045 4.740 -0.059 -0.184 0.248 270 N C -1.193 174.256 175.510 -0.102 0.000 1.322 270 N CA -0.485 52.521 53.050 -0.072 0.000 0.861 270 N CB 1.771 40.207 38.487 -0.086 0.000 1.303 270 N HN 0.499 8.852 8.380 -0.044 0.000 0.498 271 T N -3.902 110.620 114.554 -0.054 0.000 2.930 271 T HA 0.279 4.671 4.350 -0.084 -0.092 0.290 271 T C 0.252 174.958 174.700 0.009 0.000 1.052 271 T CA -1.644 60.432 62.100 -0.040 0.000 1.017 271 T CB 3.175 72.037 68.868 -0.011 0.000 1.137 271 T HN -0.714 7.506 8.240 -0.033 0.000 0.511 272 G N 2.189 111.017 108.800 0.047 0.000 2.611 272 G HA2 -0.512 3.516 3.960 0.113 0.000 0.301 272 G HA3 -0.512 3.488 3.960 0.066 0.000 0.301 272 G C 0.929 175.881 174.900 0.087 0.000 1.233 272 G CA 1.160 46.309 45.100 0.081 0.000 0.993 272 G HN -0.154 8.530 8.290 0.049 -0.364 0.553 273 K N 3.259 123.699 120.400 0.067 0.000 2.280 273 K HA -0.183 4.188 4.320 0.084 0.000 0.202 273 K C 0.677 177.313 176.600 0.060 0.000 1.047 273 K CA 1.730 58.056 56.287 0.065 0.000 0.942 273 K CB -0.451 32.074 32.500 0.042 0.000 0.739 273 K HN 0.344 8.627 8.250 0.054 0.000 0.457 274 N N -1.792 116.933 118.700 0.042 0.000 2.336 274 N HA -0.002 4.759 4.740 0.034 0.000 0.189 274 N C -1.458 174.067 175.510 0.024 0.000 1.113 274 N CA 0.159 53.226 53.050 0.028 0.000 0.858 274 N CB 0.478 38.969 38.487 0.007 0.000 0.970 274 N HN -0.553 7.794 8.380 0.036 0.055 0.471 275 A N -0.473 122.368 122.820 0.036 0.000 2.484 275 A HA -0.118 4.204 4.320 -0.134 -0.082 0.268 275 A C -0.706 176.954 177.584 0.125 0.000 1.114 275 A CA 0.807 52.824 52.037 -0.033 0.000 0.780 275 A CB -0.367 18.593 19.000 -0.066 0.000 1.061 275 A HN -0.579 7.439 8.150 0.063 0.170 0.505 276 E N 4.927 125.168 120.200 0.069 0.000 2.444 276 E HA 0.120 4.628 4.350 0.264 0.000 0.203 276 E C 0.028 176.787 176.600 0.264 0.000 0.847 276 E CA 0.280 56.792 56.400 0.186 0.000 1.142 276 E CB 2.361 32.121 29.700 0.100 0.000 1.125 276 E HN -0.017 8.607 8.360 -0.049 -0.294 0.521 277 V N 1.948 121.922 119.914 0.099 0.000 2.398 277 V HA 0.087 4.370 4.120 0.273 0.000 0.286 277 V C -1.906 174.230 176.094 0.069 0.000 1.026 277 V CA -0.482 61.911 62.300 0.155 0.000 0.868 277 V CB 1.223 33.088 31.823 0.071 0.000 0.982 277 V HN -0.609 7.855 8.190 -0.019 -0.286 0.443 278 F N 4.491 124.526 119.950 0.140 0.000 2.593 278 F HA 0.376 5.107 4.527 0.177 -0.098 0.320 278 F C -0.392 175.493 175.800 0.142 0.000 1.060 278 F CA -2.244 55.864 58.000 0.181 0.000 0.940 278 F CB 4.084 43.244 39.000 0.267 0.000 1.268 278 F HN -0.208 8.404 8.300 0.519 0.000 0.475 279 A N 1.641 124.647 122.820 0.310 0.000 2.322 279 A HA 0.558 4.935 4.320 0.094 0.000 0.327 279 A C -2.725 174.831 177.584 -0.046 0.000 1.394 279 A CA -2.912 49.200 52.037 0.124 0.000 0.921 279 A CB -0.285 18.785 19.000 0.116 0.000 1.153 279 A HN 0.568 8.937 8.150 0.366 0.000 0.523 280 P HA -0.028 3.865 4.420 -1.069 -0.115 0.267 280 P C -0.993 176.037 177.300 -0.451 0.000 1.205 280 P CA -0.288 62.405 63.100 -0.678 0.000 0.765 280 P CB 0.355 31.642 31.700 -0.689 0.000 0.828 281 Q N 3.971 123.460 119.800 -0.519 0.000 2.314 281 Q HA 0.242 4.370 4.340 -0.353 0.000 0.259 281 Q C -0.374 175.461 176.000 -0.276 0.000 0.951 281 Q CA -1.373 54.178 55.803 -0.420 0.000 0.909 281 Q CB 0.471 28.833 28.738 -0.627 0.000 1.236 281 Q HN 0.049 7.957 8.270 -0.603 0.000 0.444 282 S N 3.964 119.552 115.700 -0.188 0.000 2.387 282 S HA -0.168 4.221 4.470 -0.135 0.000 0.226 282 S C -0.719 173.824 174.600 -0.095 0.000 1.026 282 S CA 1.428 59.551 58.200 -0.128 0.000 0.972 282 S CB 0.706 63.852 63.200 -0.090 0.000 0.814 282 S HN 0.616 8.820 8.310 -0.176 0.000 0.477 283 D N -2.796 117.555 120.400 -0.082 0.000 2.623 283 D HA 0.217 4.839 4.640 -0.031 0.000 0.241 283 D C -2.461 173.826 176.300 -0.020 0.000 1.241 283 D CA -1.888 52.089 54.000 -0.038 0.000 0.788 283 D CB 0.528 41.314 40.800 -0.024 0.000 1.413 283 D HN -0.582 7.731 8.370 -0.096 0.000 0.429 284 P HA 0.119 4.553 4.420 0.024 0.000 0.282 284 P C -1.640 175.714 177.300 0.089 0.000 1.286 284 P CA -0.454 62.675 63.100 0.049 0.000 0.777 284 P CB 0.776 32.516 31.700 0.066 0.000 1.184 285 N N -4.239 114.504 118.700 0.072 0.000 2.264 285 N HA -0.012 4.761 4.740 0.056 0.000 0.288 285 N C -0.956 174.588 175.510 0.056 0.000 1.094 285 N CA -0.859 52.203 53.050 0.019 0.000 0.817 285 N CB 2.235 40.656 38.487 -0.110 0.000 1.604 285 N HN -0.273 8.138 8.380 0.052 0.000 0.473 286 G N -1.040 107.805 108.800 0.074 0.000 2.614 286 G HA2 -0.139 3.857 3.960 0.061 0.000 0.239 286 G HA3 -0.139 3.837 3.960 0.026 0.000 0.239 286 G C -2.041 172.834 174.900 -0.042 0.000 1.240 286 G CA 0.062 45.181 45.100 0.031 0.000 0.842 286 G HN 0.050 8.361 8.290 0.036 0.000 0.584 287 L N 3.492 124.700 121.223 -0.026 0.000 2.482 287 L HA 0.396 4.856 4.340 -0.032 -0.140 0.269 287 L C -1.615 175.244 176.870 -0.017 0.000 0.967 287 L CA -0.113 54.712 54.840 -0.024 0.000 0.851 287 L CB 3.304 45.354 42.059 -0.014 0.000 1.242 287 L HN 0.064 8.284 8.230 -0.016 0.000 0.404 288 I N 7.418 127.980 120.570 -0.013 0.000 2.436 288 I HA 0.342 4.510 4.170 -0.004 0.000 0.289 288 I C -1.674 174.460 176.117 0.027 0.000 1.010 288 I CA -1.807 59.492 61.300 -0.002 0.000 1.098 288 I CB 2.127 40.115 38.000 -0.020 0.000 1.266 288 I HN 0.557 8.760 8.210 -0.012 0.000 0.434 289 K N 5.392 125.813 120.400 0.035 0.000 2.426 289 K HA 0.919 5.483 4.320 0.077 -0.197 0.251 289 K C -1.010 175.632 176.600 0.070 0.000 0.941 289 K CA -1.358 54.964 56.287 0.057 0.000 0.808 289 K CB 3.233 35.756 32.500 0.038 0.000 1.265 289 K HN 0.137 8.402 8.250 0.026 0.000 0.432 290 C N -1.485 117.877 119.300 0.103 0.000 3.284 290 C HA 0.377 4.886 4.460 0.081 0.000 0.338 290 C C -2.819 172.241 174.990 0.118 0.000 1.237 290 C CA -1.584 57.498 59.018 0.106 0.000 1.276 290 C CB 2.741 30.559 27.740 0.131 0.000 1.601 290 C HN 0.632 8.934 8.230 0.121 0.000 0.494 291 T N 3.845 118.456 114.554 0.096 0.000 2.786 291 T HA 0.481 5.037 4.350 0.080 -0.158 0.283 291 T C -0.457 174.296 174.700 0.089 0.000 0.992 291 T CA -0.096 62.051 62.100 0.078 0.000 0.954 291 T CB 1.092 69.988 68.868 0.046 0.000 0.934 291 T HN 0.036 8.329 8.240 0.088 0.000 0.440 292 V N 7.004 126.964 119.914 0.076 0.000 2.459 292 V HA 0.249 4.434 4.120 0.108 0.000 0.295 292 V C -1.801 174.304 176.094 0.019 0.000 1.029 292 V CA -1.269 61.068 62.300 0.061 0.000 0.874 292 V CB 2.358 34.166 31.823 -0.025 0.000 0.985 292 V HN 0.816 9.048 8.190 0.069 0.000 0.438 293 G N 3.490 112.306 108.800 0.026 0.000 3.105 293 G HA2 0.583 4.675 3.960 -0.012 0.000 0.277 293 G HA3 0.583 4.549 3.960 0.009 0.000 0.277 293 G C -1.316 173.587 174.900 0.005 0.000 1.375 293 G CA -1.064 44.038 45.100 0.005 0.000 0.962 293 G HN -0.081 8.241 8.290 0.053 0.000 0.541 294 R N -1.337 119.161 120.500 -0.003 0.000 2.486 294 R HA 0.336 4.675 4.340 -0.001 0.000 0.286 294 R C 0.130 176.436 176.300 0.011 0.000 0.999 294 R CA -0.066 56.032 56.100 -0.002 0.000 0.993 294 R CB 1.304 31.596 30.300 -0.014 0.000 1.084 294 R HN 0.371 8.637 8.270 -0.007 0.000 0.487 295 S N 0.000 115.710 115.700 0.017 0.000 2.498 295 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 295 S CA 0.000 58.211 58.200 0.019 0.000 1.107 295 S CB 0.000 63.215 63.200 0.025 0.000 0.593 295 S HN 0.000 nan 8.310 nan 0.000 0.517