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 2iip_1_A DATA FIRST_RESID -9 DATA SEQUENCE HSSGLVPRGS MESGFTSKDT YLSHFNPRDY LEKYYKXXXX XSAESQILKH DATA SEQUENCE LLKNLFKIFC LDGVKGDLLI DIGSGPTIYQ LLSACESFKE IVVTDYSDQN DATA SEQUENCE LQELEKWLKA APAAFDWSPV VTYVCDLEGN RVKGPEKEEK LRQAVKQVLK DATA SEQUENCE CDVTQSQPLG AVPLPPADCV LSTLCLDAAC PDLPTYCRAL RNLGSLLKPG DATA SEQUENCE GFLVIMDALK SSYYMIGEQK FSSLPLGREA VEAAVKEAGY TIEWFEVISQ DATA SEQUENCE SYSSTMANNE GLFSLVARKL 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 -9 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 -9 H C 0.000 175.272 175.328 -0.093 0.000 0.993 -9 H CA 0.000 55.992 56.048 -0.093 0.000 1.023 -9 H CB 0.000 29.726 29.762 -0.060 0.000 1.292 -8 S N -0.021 115.606 115.700 -0.121 0.000 2.539 -8 S HA 0.138 4.531 4.470 -0.127 0.000 0.221 -8 S C 1.066 175.607 174.600 -0.098 0.000 0.987 -8 S CA 0.193 58.340 58.200 -0.089 0.000 0.929 -8 S CB 0.226 63.351 63.200 -0.125 0.000 0.832 -8 S HN 1.025 9.335 8.310 -0.000 0.000 0.492 -7 S N 0.575 116.209 115.700 -0.110 0.000 3.628 -7 S HA -0.093 4.301 4.470 -0.127 0.000 0.373 -7 S C 1.317 175.843 174.600 -0.124 0.000 0.968 -7 S CA 1.120 59.260 58.200 -0.101 0.000 1.215 -7 S CB -2.038 61.127 63.200 -0.058 0.000 0.912 -7 S HN 2.361 10.671 8.310 -0.000 0.000 0.495 -6 G N 0.417 109.114 108.800 -0.170 0.000 2.284 -6 G HA2 -0.346 3.538 3.960 -0.127 0.000 0.247 -6 G HA3 -0.346 3.538 3.960 -0.127 0.000 0.247 -6 G C 0.789 175.576 174.900 -0.189 0.000 1.012 -6 G CA 0.435 45.418 45.100 -0.195 0.000 0.618 -6 G HN 1.102 9.392 8.290 -0.000 0.000 0.521 -5 L N -0.566 120.571 121.223 -0.143 0.000 2.081 -5 L HA 0.181 4.444 4.340 -0.127 0.000 0.212 -5 L C 1.286 178.080 176.870 -0.127 0.000 1.080 -5 L CA 1.714 56.485 54.840 -0.115 0.000 0.754 -5 L CB -0.197 41.812 42.059 -0.084 0.000 0.893 -5 L HN 0.299 8.529 8.230 -0.000 0.000 0.433 -4 V N -1.910 117.912 119.914 -0.153 0.000 3.012 -4 V HA 0.347 4.391 4.120 -0.127 0.000 0.307 -4 V C -2.324 173.641 176.094 -0.215 0.000 1.166 -4 V CA -1.668 60.542 62.300 -0.149 0.000 0.974 -4 V CB 2.418 34.177 31.823 -0.106 0.000 1.040 -4 V HN -0.169 8.021 8.190 -0.000 0.000 0.428 -3 P HA 0.177 4.597 4.420 -0.000 0.000 0.267 -3 P C -0.245 176.840 177.300 -0.359 0.000 1.195 -3 P CA 0.296 63.212 63.100 -0.307 0.000 0.773 -3 P CB 0.268 31.808 31.700 -0.267 0.000 0.837 -2 R N 2.070 122.263 120.500 -0.511 0.000 2.570 -2 R HA 0.404 4.668 4.340 -0.127 0.000 0.277 -2 R C 1.455 177.492 176.300 -0.438 0.000 1.039 -2 R CA 0.283 56.052 56.100 -0.552 0.000 1.065 -2 R CB -1.601 28.232 30.300 -0.779 0.000 0.964 -2 R HN 0.973 9.243 8.270 -0.000 0.000 0.428 -1 G N 0.342 108.919 108.800 -0.372 0.000 2.153 -1 G HA2 -0.267 3.617 3.960 -0.127 0.000 0.252 -1 G HA3 -0.267 3.617 3.960 -0.127 0.000 0.252 -1 G C 0.885 175.706 174.900 -0.131 0.000 0.994 -1 G CA 1.600 46.561 45.100 -0.231 0.000 0.698 -1 G HN 2.075 10.365 8.290 -0.000 0.000 0.521 0 S N -1.441 114.172 115.700 -0.146 0.000 2.559 0 S HA 0.363 4.757 4.470 -0.127 0.000 0.226 0 S C 1.952 176.527 174.600 -0.042 0.000 1.000 0 S CA 0.893 59.051 58.200 -0.070 0.000 0.948 0 S CB 0.050 63.186 63.200 -0.106 0.000 0.870 0 S HN 0.464 8.774 8.310 -0.000 0.000 0.497 1 M N 1.648 121.209 119.600 -0.066 0.000 2.080 1 M HA -0.127 4.276 4.480 -0.127 0.000 0.260 1 M C 2.160 178.458 176.300 -0.003 0.000 1.068 1 M CA 2.021 57.299 55.300 -0.038 0.000 1.109 1 M CB -0.209 32.370 32.600 -0.036 0.000 1.342 1 M HN 0.538 8.828 8.290 -0.000 0.000 0.405 2 E N -0.565 119.640 120.200 0.008 0.000 2.033 2 E HA -0.149 4.125 4.350 -0.127 0.000 0.189 2 E C 1.853 178.474 176.600 0.034 0.000 0.979 2 E CA 1.605 58.018 56.400 0.023 0.000 0.802 2 E CB 0.085 29.802 29.700 0.028 0.000 0.763 2 E HN 0.647 9.007 8.360 -0.000 0.000 0.449 3 S N -1.562 114.166 115.700 0.048 0.000 2.478 3 S HA 0.174 4.568 4.470 -0.127 0.000 0.222 3 S C 1.612 176.269 174.600 0.094 0.000 1.008 3 S CA 0.647 58.889 58.200 0.070 0.000 0.928 3 S CB 0.791 64.045 63.200 0.090 0.000 0.781 3 S HN 0.497 8.807 8.310 -0.000 0.000 0.518 4 G N 0.320 109.175 108.800 0.092 0.000 2.213 4 G HA2 -0.231 3.653 3.960 -0.127 0.000 0.236 4 G HA3 -0.231 3.653 3.960 -0.127 0.000 0.236 4 G C -0.116 174.907 174.900 0.205 0.000 0.991 4 G CA 0.160 45.331 45.100 0.117 0.000 0.629 4 G HN 0.570 8.860 8.290 -0.000 0.000 0.517 5 F N 1.472 121.442 119.950 0.035 0.000 2.576 5 F HA 0.623 5.068 4.527 -0.136 0.000 0.313 5 F C 0.719 176.550 175.800 0.052 0.000 1.078 5 F CA -0.384 57.652 58.000 0.060 0.000 0.921 5 F CB 1.904 40.952 39.000 0.079 0.000 1.232 5 F HN -0.014 8.286 8.300 -0.000 0.000 0.459 6 T N 3.189 117.685 114.554 -0.098 0.000 2.866 6 T HA 0.109 4.382 4.350 -0.127 0.000 0.293 6 T C 0.056 174.883 174.700 0.210 0.000 1.005 6 T CA 0.153 62.247 62.100 -0.011 0.000 1.162 6 T CB -0.056 68.764 68.868 -0.078 0.000 0.968 6 T HN 0.612 8.852 8.240 -0.000 0.000 0.530 7 S N 3.108 118.886 115.700 0.131 0.000 2.617 7 S HA 0.230 4.623 4.470 -0.127 0.000 0.269 7 S C 1.372 176.105 174.600 0.222 0.000 1.292 7 S CA -0.967 57.330 58.200 0.162 0.000 1.010 7 S CB 1.066 64.325 63.200 0.099 0.000 0.944 7 S HN 0.771 9.081 8.310 -0.000 0.000 0.536 8 K N 0.812 121.324 120.400 0.185 0.000 2.211 8 K HA -0.145 4.098 4.320 -0.127 0.000 0.203 8 K C 1.141 177.958 176.600 0.362 0.000 1.050 8 K CA 1.605 58.013 56.287 0.200 0.000 0.945 8 K CB -0.798 31.565 32.500 -0.228 0.000 0.732 8 K HN 0.809 9.059 8.250 -0.000 0.000 0.451 9 D N 1.232 121.797 120.400 0.274 0.000 2.311 9 D HA -0.146 4.418 4.640 -0.127 0.000 0.212 9 D C 1.236 177.693 176.300 0.262 0.000 0.972 9 D CA 1.407 55.568 54.000 0.269 0.000 0.887 9 D CB -0.307 40.604 40.800 0.186 0.000 0.915 9 D HN 0.128 8.498 8.370 -0.000 0.000 0.497 10 T N -0.830 113.857 114.554 0.222 0.000 2.867 10 T HA -0.133 4.141 4.350 -0.127 0.000 0.268 10 T C 1.097 175.931 174.700 0.224 0.000 1.057 10 T CA 0.878 63.072 62.100 0.158 0.000 1.136 10 T CB -0.484 68.357 68.868 -0.045 0.000 0.874 10 T HN 0.317 8.557 8.240 -0.000 0.000 0.466 11 Y N 0.762 121.277 120.300 0.358 0.000 2.571 11 Y HA 0.189 4.671 4.550 -0.113 0.000 0.294 11 Y C 1.905 177.950 175.900 0.242 0.000 1.141 11 Y CA 0.304 58.593 58.100 0.315 0.000 1.308 11 Y CB -0.378 38.203 38.460 0.200 0.000 1.002 11 Y HN 0.182 8.462 8.280 -0.000 0.000 0.551 12 L N -2.341 119.088 121.223 0.344 0.000 2.316 12 L HA -0.038 4.226 4.340 -0.127 0.000 0.207 12 L C 2.236 179.206 176.870 0.166 0.000 1.070 12 L CA 0.452 55.410 54.840 0.197 0.000 0.820 12 L CB -0.462 41.680 42.059 0.138 0.000 0.992 12 L HN -0.044 8.186 8.230 -0.000 0.000 0.466 13 S N -0.504 115.313 115.700 0.194 0.000 2.336 13 S HA -0.156 4.237 4.470 -0.127 0.000 0.214 13 S C 1.685 176.281 174.600 -0.007 0.000 1.032 13 S CA 1.469 59.722 58.200 0.090 0.000 1.001 13 S CB -0.268 63.086 63.200 0.256 0.000 0.953 13 S HN 0.466 8.776 8.310 -0.000 0.000 0.430 14 H N -1.397 117.778 119.070 0.174 0.000 2.705 14 H HA 0.389 4.867 4.556 -0.129 0.000 0.269 14 H C -0.314 175.223 175.328 0.348 0.000 0.998 14 H CA -0.583 55.579 56.048 0.190 0.000 1.193 14 H CB 0.096 29.894 29.762 0.061 0.000 1.485 14 H HN 0.259 8.539 8.280 -0.000 0.000 0.521 15 F N 2.845 122.970 119.950 0.292 0.000 2.468 15 F HA 0.108 4.558 4.527 -0.130 0.000 0.356 15 F C 0.414 176.277 175.800 0.104 0.000 1.167 15 F CA -0.430 57.635 58.000 0.109 0.000 1.135 15 F CB 0.101 39.121 39.000 0.033 0.000 1.197 15 F HN 0.059 8.359 8.300 -0.000 0.000 0.569 16 N N 8.582 127.290 118.700 0.014 0.000 2.437 16 N HA 0.158 4.821 4.740 -0.127 0.000 0.243 16 N C -1.731 173.817 175.510 0.064 0.000 1.041 16 N CA -1.914 51.181 53.050 0.075 0.000 0.940 16 N CB 1.360 39.877 38.487 0.050 0.000 1.133 16 N HN 0.285 8.665 8.380 -0.000 0.000 0.506 17 P HA -0.141 4.279 4.420 -0.000 0.000 0.216 17 P C 0.767 178.177 177.300 0.184 0.000 1.150 17 P CA 1.267 64.537 63.100 0.283 0.000 0.843 17 P CB 0.563 32.428 31.700 0.275 0.000 0.787 18 R N 0.127 120.702 120.500 0.124 0.000 2.066 18 R HA -0.086 4.178 4.340 -0.127 0.000 0.232 18 R C 2.203 178.538 176.300 0.057 0.000 1.131 18 R CA 1.534 57.688 56.100 0.091 0.000 0.955 18 R CB -1.489 28.871 30.300 0.101 0.000 0.851 18 R HN 0.200 8.470 8.270 -0.000 0.000 0.432 19 D N -0.299 120.132 120.400 0.052 0.000 2.123 19 D HA -0.210 4.354 4.640 -0.127 0.000 0.196 19 D C 1.762 178.075 176.300 0.022 0.000 0.992 19 D CA 1.206 55.221 54.000 0.025 0.000 0.833 19 D CB -0.396 40.416 40.800 0.021 0.000 0.954 19 D HN 0.209 8.579 8.370 -0.000 0.000 0.455 20 Y N 1.480 121.729 120.300 -0.084 0.000 2.128 20 Y HA -0.187 4.275 4.550 -0.147 0.000 0.284 20 Y C 2.266 178.228 175.900 0.103 0.000 1.154 20 Y CA 1.354 59.436 58.100 -0.031 0.000 1.149 20 Y CB -0.455 37.898 38.460 -0.179 0.000 0.976 20 Y HN -0.085 8.195 8.280 -0.000 0.000 0.505 21 L N -0.423 120.764 121.223 -0.059 0.000 2.056 21 L HA -0.156 4.108 4.340 -0.127 0.000 0.207 21 L C 2.411 179.120 176.870 -0.269 0.000 1.078 21 L CA 1.502 56.123 54.840 -0.364 0.000 0.749 21 L CB -0.532 40.953 42.059 -0.956 0.000 0.901 21 L HN 0.103 8.333 8.230 -0.000 0.000 0.433 22 E N 0.423 120.566 120.200 -0.095 0.000 2.110 22 E HA -0.243 4.031 4.350 -0.127 0.000 0.193 22 E C 2.103 178.643 176.600 -0.100 0.000 0.988 22 E CA 1.294 57.697 56.400 0.005 0.000 0.804 22 E CB 0.015 29.731 29.700 0.026 0.000 0.745 22 E HN 0.230 8.590 8.360 -0.000 0.000 0.458 23 K N -1.486 118.799 120.400 -0.190 0.000 2.062 23 K HA -0.095 4.149 4.320 -0.127 0.000 0.205 23 K C 1.338 177.588 176.600 -0.583 0.000 1.051 23 K CA 1.145 57.213 56.287 -0.366 0.000 0.941 23 K CB -0.045 32.219 32.500 -0.393 0.000 0.719 23 K HN 0.172 8.422 8.250 -0.000 0.000 0.440 24 Y N -2.186 117.796 120.300 -0.530 0.000 2.507 24 Y HA 0.102 4.590 4.550 -0.104 0.000 0.263 24 Y C 0.470 175.772 175.900 -0.997 0.000 1.093 24 Y CA 0.140 57.743 58.100 -0.828 0.000 1.285 24 Y CB 0.784 38.497 38.460 -1.246 0.000 1.115 24 Y HN 0.026 8.306 8.280 -0.000 0.000 0.533 25 Y N 0.038 120.278 120.300 -0.100 0.000 2.672 25 Y HA 0.189 4.666 4.550 -0.122 0.000 0.252 25 Y C 0.913 176.826 175.900 0.021 0.000 1.132 25 Y CA -1.446 56.605 58.100 -0.082 0.000 1.228 25 Y CB -0.087 38.262 38.460 -0.186 0.000 1.310 25 Y HN -0.165 8.115 8.280 -0.000 0.000 0.549 33 A N 0.730 123.527 122.820 -0.039 0.000 1.972 33 A HA -0.008 4.236 4.320 -0.127 0.000 0.219 33 A C 1.748 179.298 177.584 -0.056 0.000 1.169 33 A CA 2.165 54.176 52.037 -0.044 0.000 0.635 33 A CB -1.110 17.883 19.000 -0.013 0.000 0.810 33 A HN 0.848 8.998 8.150 -0.000 0.000 0.446 34 E N -0.432 119.755 120.200 -0.022 0.000 2.107 34 E HA -0.091 4.182 4.350 -0.127 0.000 0.191 34 E C 2.284 178.839 176.600 -0.075 0.000 0.982 34 E CA 1.276 57.677 56.400 0.002 0.000 0.809 34 E CB -0.304 29.357 29.700 -0.065 0.000 0.756 34 E HN 0.597 8.957 8.360 -0.000 0.000 0.459 35 S N -0.328 115.319 115.700 -0.088 0.000 2.414 35 S HA -0.115 4.279 4.470 -0.127 0.000 0.227 35 S C 1.772 176.312 174.600 -0.101 0.000 1.022 35 S CA 0.486 58.626 58.200 -0.099 0.000 0.958 35 S CB -0.012 63.136 63.200 -0.087 0.000 0.797 35 S HN 0.064 8.374 8.310 -0.000 0.000 0.493 36 Q N 1.088 120.839 119.800 -0.081 0.000 2.084 36 Q HA -0.017 4.246 4.340 -0.127 0.000 0.202 36 Q C 2.197 178.164 176.000 -0.055 0.000 0.978 36 Q CA 1.535 57.300 55.803 -0.064 0.000 0.844 36 Q CB -0.565 28.136 28.738 -0.063 0.000 0.898 36 Q HN 0.629 8.899 8.270 -0.000 0.000 0.426 37 I N 0.269 120.774 120.570 -0.109 0.000 2.252 37 I HA -0.269 3.825 4.170 -0.127 0.000 0.245 37 I C 2.244 178.353 176.117 -0.014 0.000 1.102 37 I CA 0.517 61.747 61.300 -0.117 0.000 1.385 37 I CB -0.253 37.529 38.000 -0.363 0.000 1.064 37 I HN 0.164 8.374 8.210 -0.000 0.000 0.414 38 L N 1.135 122.319 121.223 -0.065 0.000 2.042 38 L HA -0.218 4.046 4.340 -0.127 0.000 0.210 38 L C 2.375 179.207 176.870 -0.063 0.000 1.076 38 L CA 1.915 56.707 54.840 -0.080 0.000 0.749 38 L CB -0.685 41.313 42.059 -0.103 0.000 0.893 38 L HN 0.081 8.311 8.230 -0.000 0.000 0.432 39 K N -1.424 118.912 120.400 -0.106 0.000 2.032 39 K HA -0.265 3.978 4.320 -0.127 0.000 0.209 39 K C 2.190 178.845 176.600 0.092 0.000 1.048 39 K CA 1.740 57.957 56.287 -0.116 0.000 0.927 39 K CB -0.449 31.988 32.500 -0.104 0.000 0.712 39 K HN 0.541 8.791 8.250 -0.000 0.000 0.441 40 H N 1.026 120.108 119.070 0.021 0.000 2.357 40 H HA -0.029 4.450 4.556 -0.128 0.000 0.301 40 H C 1.831 177.218 175.328 0.098 0.000 1.082 40 H CA 1.427 57.512 56.048 0.061 0.000 1.342 40 H CB -0.153 29.617 29.762 0.013 0.000 1.389 40 H HN 0.034 8.314 8.280 -0.000 0.000 0.511 41 L N -0.107 121.100 121.223 -0.027 0.000 1.994 41 L HA -0.177 4.087 4.340 -0.127 0.000 0.208 41 L C 2.623 179.545 176.870 0.086 0.000 1.071 41 L CA 1.283 56.120 54.840 -0.005 0.000 0.745 41 L CB -0.588 41.586 42.059 0.191 0.000 0.892 41 L HN 0.307 8.537 8.230 -0.000 0.000 0.431 42 L N -0.208 121.118 121.223 0.172 0.000 2.013 42 L HA -0.270 3.994 4.340 -0.127 0.000 0.212 42 L C 2.677 179.695 176.870 0.247 0.000 1.073 42 L CA 1.620 56.610 54.840 0.250 0.000 0.753 42 L CB -0.584 41.650 42.059 0.292 0.000 0.890 42 L HN 0.252 8.482 8.230 -0.000 0.000 0.432 43 K N -0.497 120.026 120.400 0.206 0.000 2.097 43 K HA -0.115 4.129 4.320 -0.127 0.000 0.205 43 K C 1.960 178.653 176.600 0.155 0.000 1.050 43 K CA 1.144 57.558 56.287 0.212 0.000 0.938 43 K CB -0.177 32.430 32.500 0.178 0.000 0.718 43 K HN 0.213 8.463 8.250 -0.000 0.000 0.442 44 N N 1.183 119.883 118.700 -0.001 0.000 2.084 44 N HA -0.097 4.567 4.740 -0.127 0.000 0.190 44 N C 1.791 177.270 175.510 -0.052 0.000 1.030 44 N CA 1.049 54.076 53.050 -0.038 0.000 0.849 44 N CB -0.236 38.206 38.487 -0.074 0.000 1.012 44 N HN 0.075 8.455 8.380 -0.000 0.000 0.423 45 L N -0.436 120.803 121.223 0.027 0.000 2.046 45 L HA -0.152 4.112 4.340 -0.127 0.000 0.208 45 L C 2.159 179.094 176.870 0.110 0.000 1.077 45 L CA 0.939 55.807 54.840 0.046 0.000 0.747 45 L CB -0.542 41.643 42.059 0.210 0.000 0.896 45 L HN 0.092 8.322 8.230 -0.000 0.000 0.432 46 F N 1.268 121.243 119.950 0.043 0.000 2.091 46 F HA -0.311 4.136 4.527 -0.134 0.000 0.299 46 F C 2.589 178.359 175.800 -0.050 0.000 1.103 46 F CA 2.159 60.180 58.000 0.036 0.000 1.228 46 F CB -0.239 38.781 39.000 0.033 0.000 0.984 46 F HN -0.094 8.206 8.300 -0.000 0.000 0.477 47 K N 0.553 120.763 120.400 -0.317 0.000 2.025 47 K HA -0.131 4.113 4.320 -0.127 0.000 0.207 47 K C 2.163 178.441 176.600 -0.537 0.000 1.049 47 K CA 1.986 57.975 56.287 -0.497 0.000 0.933 47 K CB -0.377 31.935 32.500 -0.313 0.000 0.714 47 K HN 0.435 8.685 8.250 -0.000 0.000 0.438 48 I N 0.182 120.408 120.570 -0.573 0.000 2.127 48 I HA -0.277 3.816 4.170 -0.127 0.000 0.241 48 I C 1.803 177.556 176.117 -0.606 0.000 1.075 48 I CA 1.413 62.276 61.300 -0.729 0.000 1.334 48 I CB -0.237 37.191 38.000 -0.953 0.000 1.040 48 I HN 0.132 8.342 8.210 -0.000 0.000 0.405 49 F N -0.663 119.143 119.950 -0.241 0.000 2.387 49 F HA -0.002 4.427 4.527 -0.164 0.000 0.294 49 F C 2.304 177.968 175.800 -0.226 0.000 1.093 49 F CA 0.437 58.336 58.000 -0.169 0.000 1.420 49 F CB -0.684 38.290 39.000 -0.044 0.000 1.086 49 F HN 0.117 8.417 8.300 -0.000 0.000 0.531 50 C N -1.267 117.917 119.300 -0.194 0.000 2.609 50 C HA 0.220 4.603 4.460 -0.127 0.000 0.305 50 C C 2.364 177.133 174.990 -0.370 0.000 1.319 50 C CA 0.037 58.882 59.018 -0.289 0.000 1.793 50 C CB -0.386 27.098 27.740 -0.428 0.000 2.260 50 C HN 0.245 8.475 8.230 -0.000 0.000 0.535 51 L N 0.291 121.222 121.223 -0.486 0.000 2.286 51 L HA 0.241 4.505 4.340 -0.127 0.000 0.203 51 L C 0.825 177.525 176.870 -0.283 0.000 1.068 51 L CA 1.651 56.265 54.840 -0.378 0.000 0.811 51 L CB -0.930 40.872 42.059 -0.428 0.000 0.989 51 L HN 0.217 8.447 8.230 -0.000 0.000 0.467 52 D N -0.768 119.435 120.400 -0.330 0.000 2.447 52 D HA 0.323 4.887 4.640 -0.127 0.000 0.265 52 D C 0.930 177.084 176.300 -0.243 0.000 1.250 52 D CA 0.180 54.006 54.000 -0.291 0.000 1.046 52 D CB 0.433 40.997 40.800 -0.394 0.000 1.095 52 D HN 0.083 8.453 8.370 -0.000 0.000 0.555 53 G N -0.577 108.097 108.800 -0.209 0.000 4.125 53 G HA2 0.332 4.216 3.960 -0.127 0.000 0.301 53 G HA3 0.332 4.216 3.960 -0.127 0.000 0.301 53 G C -0.326 174.422 174.900 -0.252 0.000 1.273 53 G CA -0.305 44.700 45.100 -0.160 0.000 1.095 53 G HN 0.181 8.471 8.290 -0.000 0.000 0.582 54 V N 0.806 120.494 119.914 -0.376 0.000 2.372 54 V HA 0.448 4.492 4.120 -0.127 0.000 0.261 54 V C 0.201 176.188 176.094 -0.179 0.000 1.055 54 V CA -0.026 61.927 62.300 -0.578 0.000 0.930 54 V CB 0.417 31.879 31.823 -0.603 0.000 1.031 54 V HN 0.350 8.540 8.190 -0.000 0.000 0.479 55 K N 2.553 122.769 120.400 -0.305 0.000 2.555 55 K HA 0.849 5.093 4.320 -0.127 0.000 0.279 55 K C -0.025 176.133 176.600 -0.737 0.000 0.986 55 K CA -0.042 55.835 56.287 -0.684 0.000 0.880 55 K CB 2.645 34.960 32.500 -0.309 0.000 1.474 55 K HN 0.789 9.039 8.250 -0.000 0.000 0.433 56 G N 0.378 108.589 108.800 -0.983 0.000 2.368 56 G HA2 -0.014 3.869 3.960 -0.127 0.000 0.269 56 G HA3 -0.014 3.869 3.960 -0.127 0.000 0.269 56 G C -0.837 173.979 174.900 -0.140 0.000 1.291 56 G CA -0.377 44.535 45.100 -0.314 0.000 0.903 56 G HN 0.518 8.808 8.290 -0.000 0.000 0.483 57 D N -0.963 119.504 120.400 0.112 0.000 2.290 57 D HA 0.178 4.742 4.640 -0.127 0.000 0.224 57 D C 0.439 176.878 176.300 0.232 0.000 0.967 57 D CA 0.958 55.030 54.000 0.119 0.000 0.893 57 D CB 0.534 41.383 40.800 0.082 0.000 1.037 57 D HN 0.200 8.570 8.370 -0.000 0.000 0.477 58 L N 1.060 122.455 121.223 0.286 0.000 2.385 58 L HA 0.478 4.742 4.340 -0.127 0.000 0.273 58 L C -1.437 175.492 176.870 0.099 0.000 0.990 58 L CA -0.707 54.235 54.840 0.170 0.000 0.821 58 L CB 2.013 44.120 42.059 0.079 0.000 1.279 58 L HN -0.140 8.090 8.230 -0.000 0.000 0.412 59 L N 5.712 126.834 121.223 -0.168 0.000 2.341 59 L HA 0.682 4.945 4.340 -0.127 0.000 0.278 59 L C -1.295 175.420 176.870 -0.259 0.000 1.005 59 L CA -0.389 54.164 54.840 -0.479 0.000 0.818 59 L CB 1.477 42.885 42.059 -1.084 0.000 1.259 59 L HN 0.658 8.888 8.230 -0.000 0.000 0.418 60 I N 3.921 124.373 120.570 -0.197 0.000 2.362 60 I HA 0.269 4.363 4.170 -0.127 0.000 0.289 60 I C -0.776 175.247 176.117 -0.156 0.000 0.994 60 I CA -0.464 60.753 61.300 -0.139 0.000 1.158 60 I CB 1.590 39.540 38.000 -0.082 0.000 1.315 60 I HN 0.548 8.758 8.210 -0.000 0.000 0.451 61 D N 7.522 127.824 120.400 -0.164 0.000 2.316 61 D HA 0.288 4.852 4.640 -0.127 0.000 0.245 61 D C -0.586 175.632 176.300 -0.137 0.000 1.171 61 D CA -0.157 53.742 54.000 -0.167 0.000 0.856 61 D CB 0.791 41.469 40.800 -0.204 0.000 1.090 61 D HN 0.140 8.510 8.370 -0.000 0.000 0.476 62 I N 3.360 123.854 120.570 -0.127 0.000 2.336 62 I HA 0.332 4.426 4.170 -0.127 0.000 0.292 62 I C 1.282 177.320 176.117 -0.131 0.000 0.991 62 I CA -0.412 60.820 61.300 -0.114 0.000 1.227 62 I CB 0.689 38.628 38.000 -0.101 0.000 1.366 62 I HN 0.759 8.969 8.210 -0.000 0.000 0.466 63 G N 4.573 113.291 108.800 -0.136 0.000 2.324 63 G HA2 -0.247 3.637 3.960 -0.127 0.000 0.292 63 G HA3 -0.247 3.637 3.960 -0.127 0.000 0.292 63 G C 0.805 175.596 174.900 -0.181 0.000 1.079 63 G CA 0.441 45.439 45.100 -0.170 0.000 1.026 63 G HN 0.631 8.921 8.290 -0.000 0.000 0.506 64 S N -0.330 115.266 115.700 -0.173 0.000 2.474 64 S HA 0.293 4.687 4.470 -0.127 0.000 0.235 64 S C 2.344 176.843 174.600 -0.167 0.000 0.997 64 S CA 1.261 59.349 58.200 -0.186 0.000 0.949 64 S CB -0.281 62.808 63.200 -0.185 0.000 0.766 64 S HN 2.397 10.707 8.310 -0.000 0.000 0.517 65 G N 2.210 110.895 108.800 -0.192 0.000 2.575 65 G HA2 -0.258 3.625 3.960 -0.127 0.000 0.267 65 G HA3 -0.258 3.625 3.960 -0.127 0.000 0.267 65 G C -2.360 172.501 174.900 -0.066 0.000 1.264 65 G CA 0.060 45.045 45.100 -0.193 0.000 0.935 65 G HN 0.318 8.608 8.290 -0.000 0.000 0.568 66 P HA 0.202 4.622 4.420 -0.000 0.000 0.256 66 P C 0.558 177.940 177.300 0.136 0.000 1.384 66 P CA 1.361 64.544 63.100 0.139 0.000 0.879 66 P CB -0.094 31.752 31.700 0.243 0.000 1.403 67 T N -1.754 112.801 114.554 0.002 0.000 2.888 67 T HA 0.544 4.818 4.350 -0.127 0.000 0.284 67 T C 0.659 175.007 174.700 -0.586 0.000 1.017 67 T CA -0.696 61.320 62.100 -0.139 0.000 1.022 67 T CB 1.282 70.097 68.868 -0.089 0.000 1.013 67 T HN -0.095 8.145 8.240 -0.000 0.000 0.465 68 I N -0.427 119.436 120.570 -1.179 0.000 4.327 68 I HA 0.275 4.369 4.170 -0.127 0.000 0.331 68 I C 1.530 176.977 176.117 -1.117 0.000 1.348 68 I CA -0.509 60.049 61.300 -1.236 0.000 1.152 68 I CB -1.025 35.938 38.000 -1.729 0.000 1.151 68 I HN 0.764 8.974 8.210 -0.000 0.000 0.410 69 Y N 2.878 122.476 120.300 -1.170 0.000 2.193 69 Y HA -0.247 4.243 4.550 -0.100 0.000 0.285 69 Y C 2.287 178.015 175.900 -0.286 0.000 1.166 69 Y CA 1.880 59.639 58.100 -0.570 0.000 1.181 69 Y CB -1.255 37.029 38.460 -0.295 0.000 0.976 69 Y HN 0.434 8.714 8.280 -0.000 0.000 0.520 70 Q N 1.435 120.245 119.800 -1.650 0.000 2.508 70 Q HA -0.111 4.153 4.340 -0.127 0.000 0.214 70 Q C 1.224 176.963 176.000 -0.436 0.000 0.979 70 Q CA 1.691 56.946 55.803 -0.913 0.000 0.911 70 Q CB -0.557 27.677 28.738 -0.840 0.000 0.969 70 Q HN 0.768 9.038 8.270 -0.000 0.000 0.504 71 L N -0.640 120.320 121.223 -0.438 0.000 2.731 71 L HA 0.189 4.452 4.340 -0.127 0.000 0.240 71 L C 1.942 178.681 176.870 -0.217 0.000 1.120 71 L CA -0.200 54.441 54.840 -0.331 0.000 0.913 71 L CB 0.020 41.875 42.059 -0.341 0.000 1.213 71 L HN 0.014 8.244 8.230 -0.000 0.000 0.515 72 L N -0.362 120.770 121.223 -0.152 0.000 2.005 72 L HA -0.114 4.149 4.340 -0.127 0.000 0.207 72 L C 2.587 179.469 176.870 0.020 0.000 1.072 72 L CA 1.365 56.179 54.840 -0.042 0.000 0.744 72 L CB -0.335 41.728 42.059 0.007 0.000 0.895 72 L HN 0.162 8.392 8.230 -0.000 0.000 0.433 73 S N -0.292 115.458 115.700 0.085 0.000 2.406 73 S HA -0.080 4.314 4.470 -0.127 0.000 0.228 73 S C 2.164 176.775 174.600 0.018 0.000 1.020 73 S CA 0.877 59.170 58.200 0.155 0.000 0.965 73 S CB -0.262 63.136 63.200 0.329 0.000 0.798 73 S HN 0.458 8.768 8.310 -0.000 0.000 0.488 74 A N 1.232 123.905 122.820 -0.245 0.000 1.940 74 A HA -0.212 4.032 4.320 -0.127 0.000 0.219 74 A C 2.469 179.921 177.584 -0.220 0.000 1.176 74 A CA 1.766 53.393 52.037 -0.682 0.000 0.631 74 A CB -1.429 16.967 19.000 -1.006 0.000 0.814 74 A HN 0.822 8.972 8.150 -0.000 0.000 0.446 75 C N -1.374 117.853 119.300 -0.122 0.000 2.472 75 C HA 0.109 4.492 4.460 -0.127 0.000 0.278 75 C C 1.887 176.869 174.990 -0.013 0.000 1.447 75 C CA 0.718 59.714 59.018 -0.038 0.000 1.773 75 C CB -0.936 26.792 27.740 -0.020 0.000 1.793 75 C HN 0.528 8.758 8.230 -0.000 0.000 0.544 76 E N 1.495 121.688 120.200 -0.011 0.000 2.285 76 E HA -0.017 4.256 4.350 -0.127 0.000 0.194 76 E C 2.079 178.655 176.600 -0.040 0.000 0.997 76 E CA 1.116 57.515 56.400 -0.002 0.000 0.845 76 E CB -0.073 29.648 29.700 0.035 0.000 0.782 76 E HN 0.771 9.131 8.360 -0.000 0.000 0.491 77 S N -0.786 114.876 115.700 -0.063 0.000 2.559 77 S HA 0.227 4.620 4.470 -0.127 0.000 0.226 77 S C 0.017 174.357 174.600 -0.434 0.000 1.030 77 S CA -0.307 57.777 58.200 -0.193 0.000 0.956 77 S CB 0.590 63.714 63.200 -0.126 0.000 0.900 77 S HN 0.005 8.315 8.310 -0.000 0.000 0.510 78 F N 1.820 121.691 119.950 -0.131 0.000 2.507 78 F HA 0.457 4.922 4.527 -0.104 0.000 0.325 78 F C 1.057 176.811 175.800 -0.078 0.000 1.116 78 F CA -0.993 56.943 58.000 -0.106 0.000 0.930 78 F CB 1.491 40.395 39.000 -0.159 0.000 1.146 78 F HN -0.262 8.038 8.300 -0.000 0.000 0.447 79 K N 1.308 121.754 120.400 0.076 0.000 2.032 79 K HA -0.079 4.164 4.320 -0.127 0.000 0.209 79 K C -0.207 176.427 176.600 0.056 0.000 1.048 79 K CA 1.400 57.713 56.287 0.043 0.000 0.927 79 K CB 0.119 32.635 32.500 0.027 0.000 0.712 79 K HN 0.644 8.894 8.250 -0.000 0.000 0.441 80 E N 0.029 120.278 120.200 0.083 0.000 2.317 80 E HA 0.442 4.715 4.350 -0.127 0.000 0.270 80 E C -0.997 175.611 176.600 0.013 0.000 0.885 80 E CA -0.462 55.962 56.400 0.040 0.000 0.760 80 E CB 2.581 32.300 29.700 0.031 0.000 1.227 80 E HN -0.011 8.349 8.360 -0.000 0.000 0.434 81 I N 1.725 122.280 120.570 -0.024 0.000 2.545 81 I HA 0.365 4.459 4.170 -0.127 0.000 0.292 81 I C -0.875 175.204 176.117 -0.063 0.000 1.040 81 I CA -1.120 60.132 61.300 -0.079 0.000 1.068 81 I CB 2.116 40.054 38.000 -0.103 0.000 1.251 81 I HN 0.179 8.389 8.210 -0.000 0.000 0.424 82 V N 6.206 126.070 119.914 -0.083 0.000 2.448 82 V HA 0.428 4.471 4.120 -0.127 0.000 0.295 82 V C -0.135 175.905 176.094 -0.089 0.000 1.025 82 V CA -0.724 61.536 62.300 -0.065 0.000 0.859 82 V CB 1.968 33.760 31.823 -0.052 0.000 0.988 82 V HN 0.504 8.694 8.190 -0.000 0.000 0.431 83 V N 2.232 122.101 119.914 -0.075 0.000 2.547 83 V HA 1.019 5.063 4.120 -0.127 0.000 0.299 83 V C -0.050 175.998 176.094 -0.076 0.000 1.040 83 V CA -0.238 62.006 62.300 -0.094 0.000 0.913 83 V CB 1.573 33.341 31.823 -0.092 0.000 0.992 83 V HN 0.998 9.188 8.190 -0.000 0.000 0.449 84 T N -0.012 114.488 114.554 -0.091 0.000 2.894 84 T HA 0.787 5.060 4.350 -0.127 0.000 0.309 84 T C -1.277 173.367 174.700 -0.094 0.000 1.208 84 T CA -0.339 61.714 62.100 -0.078 0.000 1.016 84 T CB 2.060 70.888 68.868 -0.067 0.000 1.192 84 T HN 1.118 9.358 8.240 -0.000 0.000 0.491 85 D N -0.870 119.480 120.400 -0.084 0.000 2.720 85 D HA 0.250 4.814 4.640 -0.127 0.000 0.239 85 D C -0.506 175.755 176.300 -0.064 0.000 1.218 85 D CA -0.566 53.372 54.000 -0.103 0.000 0.748 85 D CB 1.107 41.816 40.800 -0.152 0.000 1.387 85 D HN 0.559 8.929 8.370 -0.000 0.000 0.438 86 Y N 1.919 122.108 120.300 -0.185 0.000 2.395 86 Y HA 0.203 4.672 4.550 -0.135 0.000 0.293 86 Y C 0.801 176.641 175.900 -0.099 0.000 1.123 86 Y CA 1.170 59.189 58.100 -0.135 0.000 1.227 86 Y CB 0.264 38.632 38.460 -0.155 0.000 1.012 86 Y HN 0.233 8.513 8.280 -0.000 0.000 0.552 87 S N 0.687 116.292 115.700 -0.159 0.000 2.489 87 S HA 0.080 4.473 4.470 -0.127 0.000 0.277 87 S C 0.651 175.174 174.600 -0.127 0.000 1.230 87 S CA -0.603 57.510 58.200 -0.145 0.000 1.053 87 S CB 0.443 63.565 63.200 -0.130 0.000 0.955 87 S HN 0.412 8.722 8.310 -0.000 0.000 0.488 88 D N 3.516 123.851 120.400 -0.108 0.000 2.183 88 D HA -0.143 4.421 4.640 -0.127 0.000 0.203 88 D C 2.103 178.396 176.300 -0.011 0.000 0.969 88 D CA 0.895 54.855 54.000 -0.067 0.000 0.842 88 D CB -0.082 40.681 40.800 -0.062 0.000 0.957 88 D HN 0.847 9.217 8.370 -0.000 0.000 0.484 89 Q N 1.144 120.957 119.800 0.022 0.000 2.119 89 Q HA -0.126 4.137 4.340 -0.127 0.000 0.201 89 Q C 1.393 177.441 176.000 0.081 0.000 0.972 89 Q CA 0.936 56.779 55.803 0.067 0.000 0.847 89 Q CB -0.482 28.319 28.738 0.104 0.000 0.903 89 Q HN 0.128 8.398 8.270 -0.000 0.000 0.433 90 N N 1.391 120.120 118.700 0.048 0.000 2.120 90 N HA -0.045 4.619 4.740 -0.127 0.000 0.188 90 N C 2.125 177.651 175.510 0.028 0.000 1.024 90 N CA 1.198 54.268 53.050 0.034 0.000 0.852 90 N CB -0.349 38.084 38.487 -0.090 0.000 1.003 90 N HN 0.268 8.648 8.380 -0.000 0.000 0.424 91 L N 0.991 122.212 121.223 -0.003 0.000 2.046 91 L HA -0.147 4.116 4.340 -0.127 0.000 0.208 91 L C 2.572 179.470 176.870 0.047 0.000 1.077 91 L CA 1.120 55.964 54.840 0.007 0.000 0.747 91 L CB -0.543 41.503 42.059 -0.021 0.000 0.896 91 L HN 0.225 8.455 8.230 -0.000 0.000 0.432 92 Q N 0.204 120.033 119.800 0.050 0.000 2.135 92 Q HA -0.289 3.975 4.340 -0.127 0.000 0.204 92 Q C 2.132 178.197 176.000 0.110 0.000 0.981 92 Q CA 1.950 57.795 55.803 0.071 0.000 0.856 92 Q CB 0.087 28.864 28.738 0.064 0.000 0.902 92 Q HN 0.359 8.629 8.270 -0.000 0.000 0.425 93 E N 0.280 120.557 120.200 0.128 0.000 2.072 93 E HA -0.103 4.171 4.350 -0.127 0.000 0.191 93 E C 1.968 178.712 176.600 0.239 0.000 0.985 93 E CA 0.850 57.360 56.400 0.183 0.000 0.801 93 E CB -0.238 29.572 29.700 0.182 0.000 0.750 93 E HN 0.388 8.748 8.360 -0.000 0.000 0.452 94 L N 0.295 121.631 121.223 0.190 0.000 2.017 94 L HA -0.177 4.086 4.340 -0.127 0.000 0.208 94 L C 2.381 179.417 176.870 0.277 0.000 1.073 94 L CA 1.631 56.607 54.840 0.226 0.000 0.745 94 L CB -0.394 41.734 42.059 0.114 0.000 0.894 94 L HN 0.182 8.412 8.230 -0.000 0.000 0.432 95 E N -0.046 120.258 120.200 0.173 0.000 2.153 95 E HA -0.231 4.042 4.350 -0.127 0.000 0.194 95 E C 2.179 178.865 176.600 0.143 0.000 0.988 95 E CA 0.990 57.472 56.400 0.135 0.000 0.811 95 E CB 0.033 29.781 29.700 0.080 0.000 0.746 95 E HN 0.384 8.744 8.360 -0.000 0.000 0.466 96 K N -0.012 120.493 120.400 0.175 0.000 2.063 96 K HA -0.207 4.037 4.320 -0.127 0.000 0.208 96 K C 1.836 178.562 176.600 0.210 0.000 1.048 96 K CA 1.527 57.916 56.287 0.170 0.000 0.928 96 K CB -0.254 32.360 32.500 0.190 0.000 0.713 96 K HN 0.239 8.489 8.250 -0.000 0.000 0.442 97 W N 1.429 122.809 121.300 0.134 0.000 2.379 97 W HA -0.175 4.426 4.660 -0.100 0.000 0.307 97 W C 1.554 178.135 176.519 0.102 0.000 1.200 97 W CA 0.829 58.273 57.345 0.164 0.000 1.297 97 W CB -0.241 29.354 29.460 0.225 0.000 1.140 97 W HN -0.085 8.095 8.180 -0.000 0.000 0.507 98 L N 1.206 122.442 121.223 0.020 0.000 2.042 98 L HA -0.202 4.062 4.340 -0.127 0.000 0.210 98 L C 1.983 178.687 176.870 -0.276 0.000 1.076 98 L CA 2.025 56.700 54.840 -0.276 0.000 0.749 98 L CB -1.529 40.530 42.059 0.001 0.000 0.893 98 L HN 0.071 8.301 8.230 -0.000 0.000 0.432 99 K N -0.352 119.974 120.400 -0.123 0.000 2.555 99 K HA 0.121 4.365 4.320 -0.127 0.000 0.193 99 K C 0.951 177.480 176.600 -0.118 0.000 1.032 99 K CA 0.542 56.769 56.287 -0.099 0.000 1.004 99 K CB -0.143 32.338 32.500 -0.033 0.000 0.804 99 K HN 0.342 8.592 8.250 -0.000 0.000 0.496 100 A N 0.325 123.031 122.820 -0.191 0.000 2.783 100 A HA -0.244 3.999 4.320 -0.127 0.000 0.292 100 A C 0.538 178.102 177.584 -0.035 0.000 1.495 100 A CA 0.508 52.460 52.037 -0.141 0.000 0.787 100 A CB -2.271 16.639 19.000 -0.151 0.000 1.017 100 A HN 0.427 8.577 8.150 -0.000 0.000 0.516 101 A N -0.451 122.373 122.820 0.007 0.000 2.540 101 A HA 0.476 4.719 4.320 -0.127 0.000 0.239 101 A C -0.197 177.418 177.584 0.051 0.000 1.061 101 A CA -0.226 51.832 52.037 0.035 0.000 0.758 101 A CB -0.081 18.954 19.000 0.058 0.000 0.991 101 A HN 0.375 8.525 8.150 -0.000 0.000 0.502 102 P HA -0.171 4.249 4.420 -0.000 0.000 0.217 102 P C 1.296 178.628 177.300 0.053 0.000 1.148 102 P CA 2.013 65.136 63.100 0.037 0.000 0.828 102 P CB 0.186 31.901 31.700 0.025 0.000 0.783 103 A N -1.171 121.688 122.820 0.065 0.000 2.235 103 A HA 0.337 4.580 4.320 -0.127 0.000 0.208 103 A C 1.270 178.927 177.584 0.121 0.000 1.172 103 A CA 0.440 52.525 52.037 0.079 0.000 0.786 103 A CB -1.012 18.032 19.000 0.073 0.000 0.804 103 A HN 0.246 8.396 8.150 -0.000 0.000 0.479 104 A N -0.780 122.132 122.820 0.153 0.000 2.327 104 A HA 0.486 4.730 4.320 -0.127 0.000 0.255 104 A C -0.048 177.688 177.584 0.254 0.000 1.099 104 A CA -0.449 51.737 52.037 0.249 0.000 0.801 104 A CB -0.150 19.039 19.000 0.314 0.000 1.062 104 A HN 0.466 8.616 8.150 -0.000 0.000 0.496 105 F N 0.444 120.482 119.950 0.147 0.000 2.518 105 F HA 0.275 4.731 4.527 -0.118 0.000 0.359 105 F C 0.415 176.197 175.800 -0.029 0.000 1.118 105 F CA -0.023 57.962 58.000 -0.025 0.000 1.287 105 F CB 0.594 39.478 39.000 -0.194 0.000 1.132 105 F HN 0.570 8.870 8.300 -0.000 0.000 0.587 106 D N 4.999 124.898 120.400 -0.834 0.000 2.380 106 D HA 0.074 4.638 4.640 -0.127 0.000 0.230 106 D C -0.038 175.891 176.300 -0.618 0.000 1.154 106 D CA -0.082 53.629 54.000 -0.482 0.000 0.859 106 D CB 0.159 40.716 40.800 -0.406 0.000 1.045 106 D HN 0.561 8.931 8.370 -0.000 0.000 0.495 107 W N 2.346 123.677 121.300 0.051 0.000 3.003 107 W HA 0.019 4.609 4.660 -0.117 0.000 0.257 107 W C 2.323 178.918 176.519 0.126 0.000 1.308 107 W CA -0.281 57.166 57.345 0.170 0.000 1.529 107 W CB 0.153 29.748 29.460 0.225 0.000 1.115 107 W HN 0.340 8.520 8.180 -0.000 0.000 0.659 108 S N 1.477 117.335 115.700 0.263 0.000 2.393 108 S HA -0.259 4.135 4.470 -0.127 0.000 0.234 108 S C -0.558 174.146 174.600 0.173 0.000 1.064 108 S CA 2.015 60.328 58.200 0.190 0.000 1.088 108 S CB -1.813 61.446 63.200 0.099 0.000 0.939 108 S HN 0.200 8.510 8.310 -0.000 0.000 0.448 109 P HA 0.067 4.487 4.420 -0.000 0.000 0.219 109 P C 1.435 178.858 177.300 0.204 0.000 1.150 109 P CA 0.684 63.864 63.100 0.135 0.000 0.814 109 P CB -0.177 31.569 31.700 0.076 0.000 0.787 110 V N -0.207 119.870 119.914 0.272 0.000 2.453 110 V HA -0.144 3.900 4.120 -0.127 0.000 0.247 110 V C 2.666 178.948 176.094 0.312 0.000 1.048 110 V CA 1.353 63.847 62.300 0.323 0.000 1.049 110 V CB -1.042 31.088 31.823 0.511 0.000 0.672 110 V HN -0.060 8.130 8.190 -0.000 0.000 0.457 111 V N 0.156 120.250 119.914 0.299 0.000 2.295 111 V HA -0.274 3.770 4.120 -0.127 0.000 0.246 111 V C 2.615 178.819 176.094 0.183 0.000 1.049 111 V CA 2.676 65.114 62.300 0.229 0.000 1.024 111 V CB -1.095 30.869 31.823 0.235 0.000 0.648 111 V HN 0.609 8.799 8.190 -0.000 0.000 0.447 112 T N -0.879 113.779 114.554 0.173 0.000 2.699 112 T HA -0.298 3.976 4.350 -0.127 0.000 0.268 112 T C 1.735 176.510 174.700 0.125 0.000 1.036 112 T CA 2.336 64.512 62.100 0.127 0.000 1.147 112 T CB -0.460 68.477 68.868 0.114 0.000 0.862 112 T HN 0.585 8.825 8.240 -0.000 0.000 0.446 113 Y N 1.544 121.877 120.300 0.055 0.000 2.181 113 Y HA -0.178 4.295 4.550 -0.128 0.000 0.288 113 Y C 2.366 178.265 175.900 -0.002 0.000 1.146 113 Y CA 0.922 59.039 58.100 0.028 0.000 1.164 113 Y CB -0.416 38.075 38.460 0.053 0.000 0.982 113 Y HN -0.028 8.252 8.280 -0.000 0.000 0.515 114 V N -0.993 119.050 119.914 0.215 0.000 2.295 114 V HA -0.390 3.653 4.120 -0.127 0.000 0.246 114 V C 2.534 178.609 176.094 -0.032 0.000 1.049 114 V CA 1.850 64.206 62.300 0.093 0.000 1.024 114 V CB -1.087 30.828 31.823 0.153 0.000 0.648 114 V HN 0.634 8.824 8.190 -0.000 0.000 0.447 115 C N 0.130 119.434 119.300 0.008 0.000 2.401 115 C HA -0.190 4.193 4.460 -0.127 0.000 0.276 115 C C 2.519 177.453 174.990 -0.094 0.000 1.233 115 C CA 0.994 60.001 59.018 -0.018 0.000 1.753 115 C CB -1.149 26.600 27.740 0.016 0.000 2.029 115 C HN 0.607 8.837 8.230 -0.000 0.000 0.478 116 D N 0.735 121.044 120.400 -0.152 0.000 2.097 116 D HA -0.081 4.483 4.640 -0.127 0.000 0.195 116 D C 2.081 178.190 176.300 -0.319 0.000 0.989 116 D CA 1.025 54.895 54.000 -0.217 0.000 0.827 116 D CB -0.490 40.150 40.800 -0.267 0.000 0.966 116 D HN 0.451 8.821 8.370 -0.000 0.000 0.456 117 L N 0.679 121.615 121.223 -0.477 0.000 2.131 117 L HA -0.137 4.126 4.340 -0.127 0.000 0.210 117 L C 1.793 178.185 176.870 -0.796 0.000 1.092 117 L CA 1.113 55.491 54.840 -0.769 0.000 0.759 117 L CB -0.233 41.249 42.059 -0.962 0.000 0.903 117 L HN 0.012 8.242 8.230 -0.000 0.000 0.435 118 E N -0.594 119.394 120.200 -0.352 0.000 2.465 118 E HA 0.084 4.358 4.350 -0.127 0.000 0.191 118 E C 1.145 177.748 176.600 0.006 0.000 1.053 118 E CA 0.450 56.836 56.400 -0.023 0.000 0.869 118 E CB 0.374 30.133 29.700 0.098 0.000 0.977 118 E HN 0.517 8.877 8.360 -0.000 0.000 0.483 119 G N 2.110 110.865 108.800 -0.075 0.000 2.141 119 G HA2 -0.319 3.564 3.960 -0.127 0.000 0.231 119 G HA3 -0.319 3.564 3.960 -0.127 0.000 0.231 119 G C 0.074 174.956 174.900 -0.030 0.000 0.984 119 G CA -0.105 44.972 45.100 -0.037 0.000 0.660 119 G HN 0.403 8.693 8.290 -0.000 0.000 0.525 120 N N -1.305 117.372 118.700 -0.039 0.000 2.727 120 N HA -0.205 4.459 4.740 -0.127 0.000 0.249 120 N C 1.522 177.029 175.510 -0.004 0.000 1.048 120 N CA 0.990 54.027 53.050 -0.022 0.000 0.714 120 N CB -0.199 38.272 38.487 -0.027 0.000 0.959 120 N HN 0.464 8.844 8.380 -0.000 0.000 0.544 121 R N -0.366 120.138 120.500 0.005 0.000 2.115 121 R HA 0.093 4.357 4.340 -0.127 0.000 0.226 121 R C 1.112 177.419 176.300 0.013 0.000 1.100 121 R CA 1.380 57.486 56.100 0.012 0.000 0.980 121 R CB -0.332 29.980 30.300 0.020 0.000 0.875 121 R HN 0.470 8.740 8.270 -0.000 0.000 0.445 122 V N -3.080 116.843 119.914 0.016 0.000 3.160 122 V HA 0.542 4.585 4.120 -0.127 0.000 0.310 122 V C -0.290 175.817 176.094 0.021 0.000 1.181 122 V CA -1.378 60.933 62.300 0.019 0.000 1.047 122 V CB 2.866 34.704 31.823 0.025 0.000 1.068 122 V HN -0.114 8.076 8.190 -0.000 0.000 0.441 123 K N 0.751 121.166 120.400 0.025 0.000 2.240 123 K HA 0.602 4.846 4.320 -0.127 0.000 0.237 123 K C 1.405 178.033 176.600 0.047 0.000 1.027 123 K CA -0.091 56.214 56.287 0.031 0.000 0.937 123 K CB 1.156 33.672 32.500 0.027 0.000 1.171 123 K HN 0.934 9.184 8.250 -0.000 0.000 0.479 124 G N 1.324 110.160 108.800 0.060 0.000 2.491 124 G HA2 -0.185 3.698 3.960 -0.127 0.000 0.218 124 G HA3 -0.185 3.698 3.960 -0.127 0.000 0.218 124 G C -1.171 173.782 174.900 0.088 0.000 1.180 124 G CA 0.859 46.011 45.100 0.087 0.000 0.774 124 G HN 0.447 8.737 8.290 -0.000 0.000 0.562 125 P HA -0.054 4.366 4.420 -0.000 0.000 0.215 125 P C 1.585 178.914 177.300 0.048 0.000 1.153 125 P CA 1.495 64.630 63.100 0.059 0.000 0.853 125 P CB -0.021 31.702 31.700 0.039 0.000 0.788 126 E N 0.288 120.512 120.200 0.040 0.000 2.153 126 E HA -0.255 4.019 4.350 -0.127 0.000 0.194 126 E C 2.037 178.662 176.600 0.041 0.000 0.988 126 E CA 1.243 57.662 56.400 0.031 0.000 0.811 126 E CB -0.177 29.538 29.700 0.025 0.000 0.746 126 E HN 0.092 8.452 8.360 -0.000 0.000 0.466 127 K N 0.682 121.117 120.400 0.059 0.000 2.031 127 K HA -0.145 4.098 4.320 -0.127 0.000 0.205 127 K C 1.876 178.536 176.600 0.100 0.000 1.049 127 K CA 1.599 57.930 56.287 0.073 0.000 0.939 127 K CB 0.011 32.559 32.500 0.080 0.000 0.717 127 K HN 0.099 8.349 8.250 -0.000 0.000 0.438 128 E N 0.325 120.604 120.200 0.132 0.000 2.118 128 E HA -0.243 4.030 4.350 -0.127 0.000 0.195 128 E C 1.920 178.574 176.600 0.090 0.000 0.992 128 E CA 1.409 57.928 56.400 0.198 0.000 0.804 128 E CB -0.027 29.811 29.700 0.229 0.000 0.741 128 E HN 0.419 8.779 8.360 -0.000 0.000 0.458 129 E N 1.720 121.937 120.200 0.028 0.000 2.158 129 E HA -0.141 4.133 4.350 -0.127 0.000 0.191 129 E C 1.922 178.516 176.600 -0.010 0.000 0.982 129 E CA 1.053 57.436 56.400 -0.028 0.000 0.823 129 E CB -0.004 29.680 29.700 -0.027 0.000 0.766 129 E HN 0.089 8.449 8.360 -0.000 0.000 0.468 130 K N -0.129 120.282 120.400 0.019 0.000 2.057 130 K HA -0.145 4.099 4.320 -0.127 0.000 0.207 130 K C 2.055 178.676 176.600 0.035 0.000 1.049 130 K CA 1.229 57.529 56.287 0.021 0.000 0.931 130 K CB -0.216 32.300 32.500 0.026 0.000 0.714 130 K HN 0.232 8.482 8.250 -0.000 0.000 0.440 131 L N 1.869 123.137 121.223 0.075 0.000 1.994 131 L HA -0.148 4.115 4.340 -0.127 0.000 0.208 131 L C 2.211 179.158 176.870 0.128 0.000 1.071 131 L CA 1.623 56.537 54.840 0.123 0.000 0.745 131 L CB -0.521 41.669 42.059 0.219 0.000 0.892 131 L HN 0.113 8.343 8.230 -0.000 0.000 0.431 132 R N -0.794 119.736 120.500 0.049 0.000 2.103 132 R HA -0.216 4.048 4.340 -0.127 0.000 0.242 132 R C 2.228 178.498 176.300 -0.050 0.000 1.142 132 R CA 2.078 58.108 56.100 -0.117 0.000 0.960 132 R CB -0.448 29.654 30.300 -0.329 0.000 0.858 132 R HN 0.605 8.875 8.270 -0.000 0.000 0.439 133 Q N -0.529 119.251 119.800 -0.033 0.000 2.230 133 Q HA -0.000 4.263 4.340 -0.127 0.000 0.202 133 Q C 2.038 178.036 176.000 -0.003 0.000 0.963 133 Q CA 1.018 56.808 55.803 -0.022 0.000 0.866 133 Q CB 0.125 28.851 28.738 -0.020 0.000 0.931 133 Q HN 0.357 8.627 8.270 -0.000 0.000 0.452 134 A N 0.677 123.503 122.820 0.011 0.000 2.014 134 A HA -0.014 4.229 4.320 -0.127 0.000 0.218 134 A C 1.194 178.786 177.584 0.012 0.000 1.163 134 A CA 0.411 52.456 52.037 0.013 0.000 0.652 134 A CB 0.049 19.057 19.000 0.014 0.000 0.808 134 A HN 0.126 8.276 8.150 -0.000 0.000 0.449 135 V N 2.104 122.036 119.914 0.029 0.000 2.370 135 V HA 0.069 4.112 4.120 -0.127 0.000 0.257 135 V C 0.782 176.885 176.094 0.016 0.000 1.064 135 V CA -0.115 62.204 62.300 0.032 0.000 0.975 135 V CB 0.570 32.450 31.823 0.094 0.000 1.067 135 V HN 0.364 8.554 8.190 -0.000 0.000 0.485 136 K N 2.457 122.859 120.400 0.003 0.000 2.211 136 K HA 0.201 4.444 4.320 -0.127 0.000 0.201 136 K C 0.548 177.147 176.600 -0.001 0.000 1.052 136 K CA 0.638 56.925 56.287 0.000 0.000 0.973 136 K CB 0.333 32.832 32.500 -0.002 0.000 0.766 136 K HN 0.569 8.819 8.250 -0.000 0.000 0.466 137 Q N 0.109 119.907 119.800 -0.004 0.000 2.379 137 Q HA 0.408 4.672 4.340 -0.127 0.000 0.278 137 Q C -1.319 174.677 176.000 -0.008 0.000 1.068 137 Q CA -0.639 55.160 55.803 -0.006 0.000 0.816 137 Q CB 3.125 31.856 28.738 -0.013 0.000 1.387 137 Q HN -0.213 8.057 8.270 -0.000 0.000 0.413 138 V N 3.025 122.936 119.914 -0.006 0.000 2.488 138 V HA 0.512 4.555 4.120 -0.127 0.000 0.293 138 V C -0.630 175.454 176.094 -0.017 0.000 1.027 138 V CA -0.455 61.840 62.300 -0.008 0.000 0.862 138 V CB 1.598 33.429 31.823 0.014 0.000 1.008 138 V HN 0.561 8.751 8.190 -0.000 0.000 0.428 139 L N 3.022 124.227 121.223 -0.030 0.000 2.370 139 L HA 0.635 4.899 4.340 -0.127 0.000 0.266 139 L C -0.137 176.707 176.870 -0.043 0.000 1.002 139 L CA -1.118 53.703 54.840 -0.032 0.000 0.818 139 L CB 2.494 44.536 42.059 -0.028 0.000 1.325 139 L HN 0.504 8.734 8.230 -0.000 0.000 0.418 140 K N 1.303 121.675 120.400 -0.047 0.000 2.451 140 K HA 0.173 4.417 4.320 -0.127 0.000 0.280 140 K C -0.915 175.671 176.600 -0.024 0.000 1.020 140 K CA 0.119 56.371 56.287 -0.058 0.000 1.008 140 K CB 0.657 33.108 32.500 -0.083 0.000 0.917 140 K HN 0.561 8.811 8.250 -0.000 0.000 0.478 141 C N 4.392 123.691 119.300 -0.002 0.000 2.455 141 C HA 0.576 4.959 4.460 -0.127 0.000 0.320 141 C C -1.594 173.483 174.990 0.144 0.000 1.226 141 C CA -0.574 58.463 59.018 0.031 0.000 1.569 141 C CB 0.911 28.643 27.740 -0.013 0.000 2.200 141 C HN 0.943 9.173 8.230 -0.000 0.000 0.491 142 D N 2.838 123.304 120.400 0.110 0.000 2.476 142 D HA 0.225 4.789 4.640 -0.127 0.000 0.251 142 D C 0.737 177.026 176.300 -0.017 0.000 1.291 142 D CA -0.357 53.692 54.000 0.081 0.000 0.939 142 D CB 1.838 42.721 40.800 0.137 0.000 1.221 142 D HN 0.502 8.872 8.370 -0.000 0.000 0.567 143 V N 1.986 121.859 119.914 -0.068 0.000 3.141 143 V HA -0.028 4.015 4.120 -0.127 0.000 0.265 143 V C 1.701 177.751 176.094 -0.074 0.000 1.126 143 V CA 1.822 64.077 62.300 -0.075 0.000 1.141 143 V CB -1.087 30.672 31.823 -0.107 0.000 0.743 143 V HN 0.635 8.825 8.190 -0.000 0.000 0.492 144 T N -2.917 111.587 114.554 -0.083 0.000 3.160 144 T HA 0.092 4.365 4.350 -0.127 0.000 0.257 144 T C 0.802 175.478 174.700 -0.039 0.000 1.147 144 T CA 0.175 62.234 62.100 -0.068 0.000 1.064 144 T CB -0.247 68.570 68.868 -0.085 0.000 0.949 144 T HN 0.531 8.771 8.240 -0.000 0.000 0.526 145 Q N 1.609 121.393 119.800 -0.026 0.000 2.245 145 Q HA 0.430 4.693 4.340 -0.127 0.000 0.256 145 Q C 1.233 177.228 176.000 -0.008 0.000 0.942 145 Q CA -0.081 55.717 55.803 -0.008 0.000 0.896 145 Q CB 1.856 30.600 28.738 0.009 0.000 1.272 145 Q HN 0.437 8.707 8.270 -0.000 0.000 0.442 146 S N 1.377 117.074 115.700 -0.005 0.000 2.481 146 S HA -0.095 4.298 4.470 -0.127 0.000 0.231 146 S C 0.356 174.954 174.600 -0.004 0.000 0.996 146 S CA 0.665 58.862 58.200 -0.006 0.000 0.942 146 S CB 0.135 63.332 63.200 -0.005 0.000 0.768 146 S HN 0.563 8.873 8.310 -0.000 0.000 0.520 147 Q N 1.527 121.327 119.800 -0.001 0.000 2.560 147 Q HA 0.352 4.616 4.340 -0.127 0.000 0.238 147 Q C -2.197 173.804 176.000 0.002 0.000 1.079 147 Q CA -2.294 53.510 55.803 0.000 0.000 0.866 147 Q CB 1.552 30.292 28.738 0.002 0.000 1.153 147 Q HN 0.254 8.524 8.270 -0.000 0.000 0.530 148 P HA -0.188 4.232 4.420 -0.000 0.000 0.217 148 P C 0.456 177.759 177.300 0.006 0.000 1.148 148 P CA 1.255 64.353 63.100 -0.002 0.000 0.828 148 P CB 0.299 31.990 31.700 -0.016 0.000 0.783 149 L N -2.657 118.565 121.223 -0.001 0.000 2.628 149 L HA 0.283 4.547 4.340 -0.127 0.000 0.229 149 L C 1.551 178.421 176.870 0.001 0.000 1.137 149 L CA 0.081 54.919 54.840 -0.003 0.000 0.909 149 L CB -1.093 40.960 42.059 -0.010 0.000 1.137 149 L HN 0.085 8.315 8.230 -0.000 0.000 0.470 150 G N 1.320 110.123 108.800 0.006 0.000 2.596 150 G HA2 -0.427 3.457 3.960 -0.127 0.000 0.295 150 G HA3 -0.427 3.457 3.960 -0.127 0.000 0.295 150 G C 0.766 175.667 174.900 0.002 0.000 1.240 150 G CA 0.293 45.397 45.100 0.006 0.000 0.985 150 G HN 0.373 8.663 8.290 -0.000 0.000 0.555 151 A N -0.595 122.226 122.820 0.002 0.000 2.259 151 A HA 0.522 4.766 4.320 -0.127 0.000 0.208 151 A C 1.149 178.732 177.584 -0.001 0.000 1.201 151 A CA 1.242 53.279 52.037 0.000 0.000 0.824 151 A CB -0.291 18.709 19.000 0.001 0.000 0.838 151 A HN 1.532 9.682 8.150 -0.000 0.000 0.485 152 V N 3.192 123.104 119.914 -0.003 0.000 2.425 152 V HA 0.138 4.182 4.120 -0.127 0.000 0.276 152 V C -1.885 174.207 176.094 -0.004 0.000 1.017 152 V CA -1.243 61.055 62.300 -0.005 0.000 1.062 152 V CB -0.020 31.799 31.823 -0.007 0.000 0.997 152 V HN 0.415 8.605 8.190 -0.000 0.000 0.476 153 P HA 0.442 4.862 4.420 -0.000 0.000 0.276 153 P C -0.905 176.394 177.300 -0.002 0.000 1.235 153 P CA -0.155 62.944 63.100 -0.002 0.000 0.772 153 P CB 1.281 32.980 31.700 -0.001 0.000 0.871 154 L N 4.160 125.383 121.223 -0.001 0.000 2.472 154 L HA 0.433 4.697 4.340 -0.127 0.000 0.260 154 L C -2.123 174.750 176.870 0.004 0.000 0.963 154 L CA -2.131 52.709 54.840 0.000 0.000 0.829 154 L CB 2.589 44.646 42.059 -0.003 0.000 1.348 154 L HN 0.314 8.544 8.230 -0.000 0.000 0.408 155 P HA 0.226 4.646 4.420 -0.000 0.000 0.270 155 P C -2.666 174.643 177.300 0.016 0.000 1.223 155 P CA -1.063 62.044 63.100 0.012 0.000 0.785 155 P CB -0.390 31.320 31.700 0.016 0.000 0.923 156 P HA 0.081 4.501 4.420 -0.000 0.000 0.265 156 P C -0.337 176.986 177.300 0.038 0.000 1.187 156 P CA 0.414 63.527 63.100 0.022 0.000 0.766 156 P CB 0.171 31.881 31.700 0.017 0.000 0.820 157 A N 2.651 125.498 122.820 0.044 0.000 2.286 157 A HA 0.274 4.517 4.320 -0.127 0.000 0.286 157 A C 0.613 178.266 177.584 0.116 0.000 1.097 157 A CA -0.314 51.763 52.037 0.066 0.000 0.821 157 A CB 0.200 19.219 19.000 0.031 0.000 1.076 157 A HN 0.515 8.665 8.150 -0.000 0.000 0.490 158 D N -0.836 119.687 120.400 0.205 0.000 2.305 158 D HA 0.154 4.717 4.640 -0.127 0.000 0.206 158 D C 0.058 176.602 176.300 0.407 0.000 0.974 158 D CA 0.875 55.071 54.000 0.328 0.000 0.871 158 D CB 0.282 41.372 40.800 0.482 0.000 0.947 158 D HN 0.423 8.793 8.370 -0.000 0.000 0.516 159 C N 0.362 119.791 119.300 0.215 0.000 2.701 159 C HA 0.547 4.931 4.460 -0.127 0.000 0.336 159 C C -1.282 173.680 174.990 -0.045 0.000 1.123 159 C CA -0.672 58.410 59.018 0.107 0.000 1.326 159 C CB 0.831 28.535 27.740 -0.060 0.000 1.833 159 C HN -0.059 8.171 8.230 -0.000 0.000 0.473 160 V N 6.476 126.402 119.914 0.020 0.000 2.347 160 V HA 0.465 4.509 4.120 -0.127 0.000 0.280 160 V C -0.093 175.979 176.094 -0.037 0.000 1.021 160 V CA -0.337 61.945 62.300 -0.030 0.000 0.847 160 V CB 1.212 33.035 31.823 -0.000 0.000 0.990 160 V HN 0.758 8.948 8.190 -0.000 0.000 0.444 161 L N 4.957 126.132 121.223 -0.081 0.000 2.325 161 L HA 0.785 5.049 4.340 -0.127 0.000 0.279 161 L C 0.034 176.851 176.870 -0.089 0.000 1.054 161 L CA 0.664 55.470 54.840 -0.057 0.000 0.804 161 L CB 2.004 44.030 42.059 -0.055 0.000 1.200 161 L HN 0.600 8.830 8.230 -0.000 0.000 0.436 162 S N 1.919 117.569 115.700 -0.084 0.000 2.737 162 S HA 0.529 4.923 4.470 -0.127 0.000 0.269 162 S C -0.897 173.646 174.600 -0.096 0.000 1.150 162 S CA -0.345 57.795 58.200 -0.101 0.000 1.077 162 S CB 0.420 63.557 63.200 -0.104 0.000 1.075 162 S HN 0.906 9.216 8.310 -0.000 0.000 0.476 163 T N 2.170 116.666 114.554 -0.097 0.000 2.771 163 T HA 0.577 4.850 4.350 -0.127 0.000 0.281 163 T C 0.730 175.408 174.700 -0.037 0.000 0.982 163 T CA -0.782 61.283 62.100 -0.059 0.000 0.978 163 T CB 0.600 69.459 68.868 -0.015 0.000 0.930 163 T HN 0.819 9.059 8.240 -0.000 0.000 0.447 164 L N 0.756 121.951 121.223 -0.047 0.000 3.858 164 L HA -0.256 4.008 4.340 -0.127 0.000 0.425 164 L C 1.499 178.311 176.870 -0.098 0.000 1.177 164 L CA 0.453 55.258 54.840 -0.059 0.000 0.943 164 L CB -2.400 39.653 42.059 -0.009 0.000 1.861 164 L HN 0.961 9.191 8.230 -0.000 0.000 0.985 165 C N -1.175 118.078 119.300 -0.079 0.000 2.378 165 C HA 0.213 4.596 4.460 -0.127 0.000 0.389 165 C C 2.403 177.370 174.990 -0.038 0.000 1.394 165 C CA 0.606 59.563 59.018 -0.101 0.000 2.275 165 C CB -0.354 27.304 27.740 -0.138 0.000 2.567 165 C HN 0.554 8.784 8.230 -0.000 0.000 0.556 166 L N 1.403 122.627 121.223 0.002 0.000 2.083 166 L HA -0.097 4.166 4.340 -0.127 0.000 0.209 166 L C 2.170 179.184 176.870 0.241 0.000 1.083 166 L CA 1.948 56.811 54.840 0.038 0.000 0.752 166 L CB -0.813 41.189 42.059 -0.096 0.000 0.899 166 L HN 0.363 8.593 8.230 -0.000 0.000 0.433 167 D N 0.292 120.870 120.400 0.297 0.000 2.144 167 D HA -0.155 4.409 4.640 -0.127 0.000 0.199 167 D C 2.200 178.740 176.300 0.400 0.000 0.984 167 D CA 1.489 55.690 54.000 0.336 0.000 0.834 167 D CB 0.023 40.972 40.800 0.249 0.000 0.955 167 D HN 0.305 8.675 8.370 -0.000 0.000 0.465 168 A N 0.122 123.121 122.820 0.298 0.000 2.014 168 A HA 0.173 4.417 4.320 -0.127 0.000 0.218 168 A C 2.108 179.943 177.584 0.418 0.000 1.163 168 A CA 1.646 53.922 52.037 0.397 0.000 0.652 168 A CB -0.197 18.937 19.000 0.223 0.000 0.808 168 A HN 0.221 8.371 8.150 -0.000 0.000 0.449 169 A N -1.988 120.949 122.820 0.195 0.000 2.115 169 A HA 0.298 4.542 4.320 -0.127 0.000 0.211 169 A C 0.667 178.263 177.584 0.021 0.000 1.169 169 A CA 0.619 52.682 52.037 0.043 0.000 0.787 169 A CB -0.217 18.723 19.000 -0.099 0.000 0.858 169 A HN 0.465 8.615 8.150 -0.000 0.000 0.474 170 C N 1.183 120.485 119.300 0.002 0.000 2.291 170 C HA 0.436 4.819 4.460 -0.127 0.000 0.322 170 C C -1.519 173.091 174.990 -0.632 0.000 1.205 170 C CA -1.050 57.869 59.018 -0.165 0.000 1.495 170 C CB 1.181 28.964 27.740 0.071 0.000 2.127 170 C HN 0.402 8.632 8.230 -0.000 0.000 0.452 171 P HA -0.026 4.394 4.420 -0.000 0.000 0.226 171 P C -0.161 176.775 177.300 -0.608 0.000 1.153 171 P CA 1.422 63.629 63.100 -1.489 0.000 0.777 171 P CB 0.172 31.474 31.700 -0.662 0.000 0.794 172 D N -3.255 116.956 120.400 -0.314 0.000 2.622 172 D HA 0.086 4.650 4.640 -0.127 0.000 0.255 172 D C 0.520 176.789 176.300 -0.053 0.000 1.246 172 D CA -0.854 53.068 54.000 -0.129 0.000 0.795 172 D CB 0.073 40.826 40.800 -0.077 0.000 1.369 172 D HN -0.360 8.010 8.370 -0.000 0.000 0.425 173 L N 0.432 121.634 121.223 -0.035 0.000 2.079 173 L HA 0.089 4.353 4.340 -0.127 0.000 0.210 173 L C -0.998 175.908 176.870 0.060 0.000 1.081 173 L CA 1.857 56.697 54.840 0.001 0.000 0.752 173 L CB -1.608 40.426 42.059 -0.042 0.000 0.896 173 L HN 0.476 8.706 8.230 -0.000 0.000 0.433 174 P HA -0.106 4.314 4.420 -0.000 0.000 0.216 174 P C 1.615 178.934 177.300 0.031 0.000 1.150 174 P CA 1.564 64.681 63.100 0.028 0.000 0.837 174 P CB -0.097 31.607 31.700 0.006 0.000 0.786 175 T N -1.841 112.721 114.554 0.015 0.000 2.821 175 T HA -0.168 4.105 4.350 -0.127 0.000 0.267 175 T C 1.624 176.343 174.700 0.032 0.000 1.046 175 T CA 1.004 63.101 62.100 -0.005 0.000 1.139 175 T CB -1.001 67.833 68.868 -0.057 0.000 0.871 175 T HN 0.092 8.332 8.240 -0.000 0.000 0.454 176 Y N 0.718 120.983 120.300 -0.059 0.000 2.145 176 Y HA -0.215 4.257 4.550 -0.129 0.000 0.286 176 Y C 2.804 178.701 175.900 -0.005 0.000 1.145 176 Y CA 1.180 59.261 58.100 -0.033 0.000 1.148 176 Y CB -0.668 37.776 38.460 -0.026 0.000 0.981 176 Y HN 0.286 8.566 8.280 -0.000 0.000 0.507 177 C N 1.050 120.469 119.300 0.197 0.000 2.432 177 C HA -0.145 4.239 4.460 -0.127 0.000 0.277 177 C C 2.811 177.829 174.990 0.047 0.000 1.249 177 C CA 1.468 60.561 59.018 0.126 0.000 1.725 177 C CB -1.228 26.583 27.740 0.119 0.000 2.028 177 C HN 0.594 8.824 8.230 -0.000 0.000 0.477 178 R N 0.510 121.026 120.500 0.027 0.000 2.105 178 R HA -0.116 4.147 4.340 -0.127 0.000 0.239 178 R C 2.444 178.731 176.300 -0.021 0.000 1.135 178 R CA 1.664 57.766 56.100 0.003 0.000 0.967 178 R CB -0.486 29.812 30.300 -0.003 0.000 0.861 178 R HN 0.650 8.920 8.270 -0.000 0.000 0.442 179 A N 0.994 123.776 122.820 -0.063 0.000 1.902 179 A HA -0.133 4.111 4.320 -0.127 0.000 0.217 179 A C 2.138 179.668 177.584 -0.090 0.000 1.181 179 A CA 1.156 53.133 52.037 -0.101 0.000 0.623 179 A CB -0.468 18.428 19.000 -0.174 0.000 0.818 179 A HN 0.189 8.339 8.150 -0.000 0.000 0.443 180 L N -1.195 119.968 121.223 -0.099 0.000 2.093 180 L HA -0.165 4.099 4.340 -0.127 0.000 0.208 180 L C 2.878 179.857 176.870 0.181 0.000 1.085 180 L CA 1.268 56.105 54.840 -0.006 0.000 0.755 180 L CB -0.450 41.600 42.059 -0.015 0.000 0.904 180 L HN 0.348 8.578 8.230 -0.000 0.000 0.435 181 R N -0.060 120.509 120.500 0.115 0.000 2.073 181 R HA -0.128 4.135 4.340 -0.127 0.000 0.234 181 R C 2.134 178.457 176.300 0.039 0.000 1.134 181 R CA 1.445 57.585 56.100 0.067 0.000 0.952 181 R CB -0.465 29.847 30.300 0.020 0.000 0.850 181 R HN 0.424 8.694 8.270 -0.000 0.000 0.433 182 N N 1.057 119.769 118.700 0.019 0.000 2.094 182 N HA -0.180 4.483 4.740 -0.127 0.000 0.191 182 N C 1.871 177.391 175.510 0.017 0.000 1.023 182 N CA 1.250 54.303 53.050 0.005 0.000 0.857 182 N CB -0.319 38.159 38.487 -0.015 0.000 1.013 182 N HN 0.239 8.619 8.380 -0.000 0.000 0.426 183 L N 0.107 121.350 121.223 0.033 0.000 2.141 183 L HA -0.014 4.250 4.340 -0.127 0.000 0.209 183 L C 2.415 179.343 176.870 0.096 0.000 1.094 183 L CA 0.958 55.824 54.840 0.042 0.000 0.763 183 L CB -0.875 41.194 42.059 0.016 0.000 0.908 183 L HN 0.204 8.434 8.230 -0.000 0.000 0.437 184 G N 0.237 109.128 108.800 0.152 0.000 2.450 184 G HA2 -0.318 3.565 3.960 -0.127 0.000 0.220 184 G HA3 -0.318 3.565 3.960 -0.127 0.000 0.220 184 G C 1.767 176.681 174.900 0.024 0.000 1.130 184 G CA 1.063 46.222 45.100 0.099 0.000 0.760 184 G HN 0.520 8.810 8.290 -0.000 0.000 0.557 185 S N 0.298 116.006 115.700 0.013 0.000 2.465 185 S HA 0.011 4.404 4.470 -0.127 0.000 0.241 185 S C 2.066 176.670 174.600 0.006 0.000 1.000 185 S CA 1.069 59.268 58.200 -0.001 0.000 0.964 185 S CB -0.261 62.937 63.200 -0.003 0.000 0.763 185 S HN 0.325 8.635 8.310 -0.000 0.000 0.512 186 L N -0.012 121.221 121.223 0.018 0.000 2.567 186 L HA 0.445 4.709 4.340 -0.127 0.000 0.225 186 L C 0.533 177.419 176.870 0.025 0.000 1.119 186 L CA 0.010 54.859 54.840 0.016 0.000 0.871 186 L CB -0.090 41.975 42.059 0.010 0.000 1.036 186 L HN 0.247 8.477 8.230 -0.000 0.000 0.459 187 L N 0.604 121.849 121.223 0.037 0.000 2.309 187 L HA 0.317 4.580 4.340 -0.127 0.000 0.282 187 L C 0.174 177.059 176.870 0.024 0.000 1.036 187 L CA -0.621 54.249 54.840 0.050 0.000 0.806 187 L CB 1.733 43.846 42.059 0.090 0.000 1.220 187 L HN 0.008 8.238 8.230 -0.000 0.000 0.429 188 K N 3.762 124.177 120.400 0.025 0.000 2.518 188 K HA 0.045 4.289 4.320 -0.127 0.000 0.276 188 K C -2.193 174.397 176.600 -0.017 0.000 0.974 188 K CA -1.155 55.135 56.287 0.005 0.000 0.986 188 K CB -0.108 32.399 32.500 0.012 0.000 0.901 188 K HN 0.320 8.570 8.250 -0.000 0.000 0.497 189 P HA -0.192 4.228 4.420 -0.000 0.000 0.255 189 P C 0.511 177.772 177.300 -0.065 0.000 1.141 189 P CA 1.302 64.373 63.100 -0.049 0.000 0.767 189 P CB -0.050 31.626 31.700 -0.040 0.000 0.726 190 G N 2.340 111.091 108.800 -0.082 0.000 2.155 190 G HA2 -0.189 3.694 3.960 -0.127 0.000 0.257 190 G HA3 -0.189 3.694 3.960 -0.127 0.000 0.257 190 G C 0.572 175.344 174.900 -0.214 0.000 0.983 190 G CA -0.123 44.900 45.100 -0.128 0.000 0.676 190 G HN 0.894 9.184 8.290 -0.000 0.000 0.528 191 G N -0.639 108.093 108.800 -0.114 0.000 2.569 191 G HA2 0.542 4.426 3.960 -0.127 0.000 0.249 191 G HA3 0.542 4.426 3.960 -0.127 0.000 0.249 191 G C 0.079 174.927 174.900 -0.086 0.000 1.216 191 G CA -0.624 44.419 45.100 -0.095 0.000 0.845 191 G HN 0.266 8.556 8.290 -0.000 0.000 0.568 192 F N -0.509 119.536 119.950 0.158 0.000 2.459 192 F HA 0.417 4.866 4.527 -0.130 0.000 0.346 192 F C 0.446 176.309 175.800 0.105 0.000 1.128 192 F CA -0.325 57.764 58.000 0.148 0.000 1.268 192 F CB 1.319 40.425 39.000 0.177 0.000 1.161 192 F HN 0.244 8.544 8.300 -0.000 0.000 0.583 193 L N 3.165 124.551 121.223 0.271 0.000 2.406 193 L HA 0.688 4.951 4.340 -0.127 0.000 0.272 193 L C -1.506 175.392 176.870 0.048 0.000 0.980 193 L CA -0.419 54.454 54.840 0.055 0.000 0.831 193 L CB 1.727 43.642 42.059 -0.241 0.000 1.253 193 L HN 0.336 8.566 8.230 -0.000 0.000 0.406 194 V N 6.688 126.619 119.914 0.029 0.000 2.376 194 V HA 0.537 4.581 4.120 -0.127 0.000 0.287 194 V C -0.414 175.666 176.094 -0.024 0.000 1.015 194 V CA -0.259 62.053 62.300 0.021 0.000 0.834 194 V CB 1.425 33.258 31.823 0.018 0.000 1.001 194 V HN 0.593 8.783 8.190 -0.000 0.000 0.428 195 I N 5.783 126.332 120.570 -0.036 0.000 2.465 195 I HA 0.583 4.677 4.170 -0.127 0.000 0.291 195 I C -0.181 175.826 176.117 -0.184 0.000 1.014 195 I CA -0.229 61.038 61.300 -0.055 0.000 1.093 195 I CB 2.019 40.068 38.000 0.081 0.000 1.267 195 I HN 0.449 8.659 8.210 -0.000 0.000 0.431 196 M N 5.182 124.615 119.600 -0.279 0.000 2.259 196 M HA 0.531 4.934 4.480 -0.127 0.000 0.304 196 M C -1.356 174.610 176.300 -0.557 0.000 1.019 196 M CA -0.454 54.561 55.300 -0.475 0.000 0.922 196 M CB 2.047 34.527 32.600 -0.200 0.000 1.600 196 M HN 0.472 8.762 8.290 -0.000 0.000 0.433 197 D N 0.960 120.750 120.400 -1.017 0.000 2.665 197 D HA 0.670 5.233 4.640 -0.127 0.000 0.287 197 D C -1.522 174.559 176.300 -0.366 0.000 1.266 197 D CA -0.312 53.342 54.000 -0.576 0.000 0.830 197 D CB 2.137 42.752 40.800 -0.308 0.000 1.356 197 D HN 0.661 9.031 8.370 -0.000 0.000 0.437 198 A N 0.627 123.431 122.820 -0.026 0.000 2.302 198 A HA 0.666 4.910 4.320 -0.127 0.000 0.285 198 A C -0.439 177.272 177.584 0.210 0.000 1.105 198 A CA -0.251 51.846 52.037 0.099 0.000 0.816 198 A CB 0.329 19.425 19.000 0.160 0.000 1.067 198 A HN 0.421 8.571 8.150 -0.000 0.000 0.489 199 L N 1.493 122.835 121.223 0.197 0.000 2.309 199 L HA 0.396 4.660 4.340 -0.127 0.000 0.282 199 L C 0.309 177.243 176.870 0.106 0.000 1.036 199 L CA -0.670 54.283 54.840 0.188 0.000 0.806 199 L CB 1.311 43.478 42.059 0.180 0.000 1.220 199 L HN 0.923 9.153 8.230 -0.000 0.000 0.429 200 K N 0.569 121.018 120.400 0.081 0.000 3.077 200 K HA -0.175 4.069 4.320 -0.127 0.000 0.264 200 K C -0.165 176.461 176.600 0.043 0.000 1.008 200 K CA 0.368 56.686 56.287 0.051 0.000 0.740 200 K CB -1.162 31.360 32.500 0.036 0.000 1.273 200 K HN 0.503 8.753 8.250 -0.000 0.000 0.477 201 S N 0.413 116.147 115.700 0.057 0.000 2.456 201 S HA 0.382 4.775 4.470 -0.127 0.000 0.316 201 S C 0.878 175.504 174.600 0.044 0.000 1.089 201 S CA -0.175 58.035 58.200 0.016 0.000 1.101 201 S CB 1.265 64.499 63.200 0.058 0.000 0.995 201 S HN 0.327 8.637 8.310 -0.000 0.000 0.468 202 S N 3.470 119.165 115.700 -0.008 0.000 2.524 202 S HA 0.305 4.699 4.470 -0.127 0.000 0.215 202 S C -0.101 174.590 174.600 0.151 0.000 0.986 202 S CA -0.309 57.950 58.200 0.098 0.000 0.911 202 S CB -0.251 63.031 63.200 0.138 0.000 0.805 202 S HN 0.892 9.202 8.310 -0.000 0.000 0.501 203 Y N -0.737 119.631 120.300 0.113 0.000 2.641 203 Y HA 0.702 5.176 4.550 -0.125 0.000 0.333 203 Y C -1.438 174.602 175.900 0.233 0.000 1.174 203 Y CA -2.518 55.642 58.100 0.101 0.000 1.057 203 Y CB 0.322 38.778 38.460 -0.007 0.000 1.322 203 Y HN 0.188 8.468 8.280 -0.000 0.000 0.457 204 Y N 1.276 121.752 120.300 0.292 0.000 2.492 204 Y HA 0.819 5.309 4.550 -0.100 0.000 0.346 204 Y C -1.290 174.858 175.900 0.413 0.000 0.997 204 Y CA -1.847 56.402 58.100 0.249 0.000 1.025 204 Y CB 1.680 40.176 38.460 0.060 0.000 1.263 204 Y HN 0.602 8.882 8.280 -0.000 0.000 0.454 205 M N 4.664 124.487 119.600 0.372 0.000 2.277 205 M HA 0.397 4.801 4.480 -0.127 0.000 0.350 205 M C -0.847 175.641 176.300 0.314 0.000 1.180 205 M CA -0.629 54.816 55.300 0.243 0.000 1.103 205 M CB 1.336 34.035 32.600 0.166 0.000 1.577 205 M HN 0.788 9.078 8.290 -0.000 0.000 0.459 206 I N 2.420 123.153 120.570 0.271 0.000 2.361 206 I HA 0.376 4.470 4.170 -0.127 0.000 0.282 206 I C 1.130 177.303 176.117 0.095 0.000 1.075 206 I CA -0.048 61.380 61.300 0.212 0.000 1.205 206 I CB 0.262 38.355 38.000 0.155 0.000 1.406 206 I HN 1.017 9.227 8.210 -0.000 0.000 0.481 207 G N 5.220 114.034 108.800 0.024 0.000 2.675 207 G HA2 -0.390 3.494 3.960 -0.127 0.000 0.312 207 G HA3 -0.390 3.494 3.960 -0.127 0.000 0.312 207 G C 0.723 175.615 174.900 -0.014 0.000 1.186 207 G CA 0.652 45.743 45.100 -0.014 0.000 0.965 207 G HN 0.551 8.841 8.290 -0.000 0.000 0.548 208 E N 0.709 120.896 120.200 -0.020 0.000 2.501 208 E HA 0.425 4.698 4.350 -0.127 0.000 0.200 208 E C 0.628 177.177 176.600 -0.084 0.000 1.016 208 E CA 0.196 56.566 56.400 -0.050 0.000 0.921 208 E CB 0.323 29.991 29.700 -0.052 0.000 1.034 208 E HN 0.390 8.750 8.360 -0.000 0.000 0.468 209 Q N 1.131 120.899 119.800 -0.054 0.000 2.278 209 Q HA 0.277 4.540 4.340 -0.127 0.000 0.257 209 Q C -1.122 174.725 176.000 -0.256 0.000 0.928 209 Q CA -0.258 55.451 55.803 -0.157 0.000 0.932 209 Q CB 1.042 29.780 28.738 -0.000 0.000 1.221 209 Q HN -0.080 8.190 8.270 -0.000 0.000 0.434 210 K N 3.751 123.842 120.400 -0.515 0.000 2.235 210 K HA 0.435 4.679 4.320 -0.127 0.000 0.266 210 K C -1.387 174.786 176.600 -0.713 0.000 0.980 210 K CA -0.424 55.602 56.287 -0.436 0.000 0.849 210 K CB 0.584 32.857 32.500 -0.378 0.000 1.098 210 K HN 0.491 8.741 8.250 -0.000 0.000 0.445 211 F N 1.320 121.044 119.950 -0.377 0.000 2.495 211 F HA 0.300 4.759 4.527 -0.113 0.000 0.327 211 F C 0.437 176.066 175.800 -0.285 0.000 1.103 211 F CA -0.655 57.077 58.000 -0.447 0.000 0.949 211 F CB 2.166 40.705 39.000 -0.768 0.000 1.142 211 F HN 0.370 8.670 8.300 -0.000 0.000 0.457 212 S N 1.337 116.941 115.700 -0.160 0.000 2.572 212 S HA 0.365 4.759 4.470 -0.127 0.000 0.279 212 S C -0.165 174.351 174.600 -0.141 0.000 1.341 212 S CA -0.343 57.618 58.200 -0.399 0.000 1.043 212 S CB 1.087 63.558 63.200 -1.216 0.000 0.887 212 S HN 0.585 8.895 8.310 -0.000 0.000 0.516 213 S N 1.409 117.113 115.700 0.008 0.000 2.541 213 S HA 0.508 4.902 4.470 -0.127 0.000 0.280 213 S C -1.155 173.692 174.600 0.412 0.000 1.112 213 S CA -0.810 57.578 58.200 0.315 0.000 0.925 213 S CB 0.847 64.231 63.200 0.307 0.000 1.067 213 S HN 0.529 8.839 8.310 -0.000 0.000 0.479 214 L N 6.117 127.671 121.223 0.552 0.000 2.385 214 L HA 0.498 4.762 4.340 -0.127 0.000 0.281 214 L C -2.077 174.911 176.870 0.197 0.000 1.106 214 L CA -1.517 53.559 54.840 0.394 0.000 0.856 214 L CB 0.754 42.950 42.059 0.229 0.000 1.186 214 L HN 0.438 8.668 8.230 -0.000 0.000 0.453 215 P HA 0.106 4.526 4.420 -0.000 0.000 0.218 215 P C -0.591 176.732 177.300 0.037 0.000 1.793 215 P CA -0.039 63.116 63.100 0.092 0.000 0.941 215 P CB -0.304 31.449 31.700 0.089 0.000 1.919 216 L N 0.321 121.545 121.223 0.001 0.000 2.380 216 L HA 0.367 4.631 4.340 -0.127 0.000 0.273 216 L C 1.443 178.294 176.870 -0.032 0.000 1.138 216 L CA -0.102 54.697 54.840 -0.070 0.000 0.832 216 L CB 0.490 42.426 42.059 -0.205 0.000 1.124 216 L HN 0.180 8.410 8.230 -0.000 0.000 0.454 217 G N 1.455 110.221 108.800 -0.058 0.000 2.557 217 G HA2 0.186 4.070 3.960 -0.127 0.000 0.292 217 G HA3 0.186 4.070 3.960 -0.127 0.000 0.292 217 G C 0.735 175.570 174.900 -0.109 0.000 1.237 217 G CA -0.492 44.577 45.100 -0.052 0.000 0.978 217 G HN 0.750 9.040 8.290 -0.000 0.000 0.498 218 R N -0.486 119.947 120.500 -0.112 0.000 2.105 218 R HA -0.120 4.144 4.340 -0.127 0.000 0.239 218 R C 2.209 178.318 176.300 -0.320 0.000 1.135 218 R CA 2.027 57.996 56.100 -0.219 0.000 0.967 218 R CB -0.148 29.998 30.300 -0.256 0.000 0.861 218 R HN 0.642 8.912 8.270 -0.000 0.000 0.442 219 E N -0.018 120.046 120.200 -0.228 0.000 2.072 219 E HA -0.052 4.222 4.350 -0.127 0.000 0.190 219 E C 1.853 178.355 176.600 -0.164 0.000 0.982 219 E CA 1.264 57.541 56.400 -0.204 0.000 0.803 219 E CB -0.231 29.383 29.700 -0.144 0.000 0.755 219 E HN 0.410 8.770 8.360 -0.000 0.000 0.453 220 A N 0.702 123.432 122.820 -0.150 0.000 1.902 220 A HA -0.152 4.092 4.320 -0.127 0.000 0.217 220 A C 2.460 179.944 177.584 -0.166 0.000 1.181 220 A CA 1.356 53.307 52.037 -0.144 0.000 0.623 220 A CB -0.765 18.142 19.000 -0.155 0.000 0.818 220 A HN 0.147 8.297 8.150 -0.000 0.000 0.443 221 V N -0.110 119.674 119.914 -0.217 0.000 2.295 221 V HA -0.264 3.779 4.120 -0.127 0.000 0.246 221 V C 2.497 178.577 176.094 -0.024 0.000 1.049 221 V CA 2.265 64.443 62.300 -0.203 0.000 1.024 221 V CB -0.711 30.825 31.823 -0.477 0.000 0.648 221 V HN 0.671 8.861 8.190 -0.000 0.000 0.447 222 E N -0.128 120.029 120.200 -0.072 0.000 2.085 222 E HA -0.241 4.033 4.350 -0.127 0.000 0.194 222 E C 2.318 178.916 176.600 -0.002 0.000 0.994 222 E CA 1.373 57.747 56.400 -0.042 0.000 0.801 222 E CB -0.205 29.347 29.700 -0.246 0.000 0.743 222 E HN 0.578 8.938 8.360 -0.000 0.000 0.453 223 A N 1.182 123.983 122.820 -0.032 0.000 1.883 223 A HA -0.164 4.079 4.320 -0.127 0.000 0.217 223 A C 2.353 179.966 177.584 0.048 0.000 1.186 223 A CA 1.993 54.028 52.037 -0.003 0.000 0.624 223 A CB -0.693 18.291 19.000 -0.026 0.000 0.822 223 A HN 0.366 8.516 8.150 -0.000 0.000 0.444 224 A N -0.880 121.986 122.820 0.077 0.000 1.930 224 A HA 0.080 4.324 4.320 -0.127 0.000 0.217 224 A C 2.221 179.914 177.584 0.183 0.000 1.175 224 A CA 1.645 53.778 52.037 0.159 0.000 0.627 224 A CB -0.737 18.447 19.000 0.307 0.000 0.815 224 A HN 0.360 8.510 8.150 -0.000 0.000 0.443 225 V N -0.057 119.958 119.914 0.168 0.000 2.323 225 V HA -0.232 3.812 4.120 -0.127 0.000 0.244 225 V C 2.438 178.678 176.094 0.244 0.000 1.041 225 V CA 2.283 64.685 62.300 0.170 0.000 1.025 225 V CB -0.607 31.276 31.823 0.100 0.000 0.656 225 V HN 0.530 8.720 8.190 -0.000 0.000 0.451 226 K N -0.228 120.271 120.400 0.164 0.000 2.063 226 K HA -0.169 4.074 4.320 -0.127 0.000 0.208 226 K C 2.126 178.792 176.600 0.110 0.000 1.048 226 K CA 1.455 57.823 56.287 0.135 0.000 0.928 226 K CB -0.149 32.398 32.500 0.079 0.000 0.713 226 K HN 0.394 8.644 8.250 -0.000 0.000 0.442 227 E N -0.021 120.237 120.200 0.097 0.000 2.347 227 E HA -0.081 4.193 4.350 -0.127 0.000 0.196 227 E C 1.620 178.262 176.600 0.070 0.000 1.008 227 E CA 0.622 57.062 56.400 0.066 0.000 0.852 227 E CB 0.142 29.876 29.700 0.057 0.000 0.783 227 E HN 0.294 8.654 8.360 -0.000 0.000 0.505 228 A N 0.320 123.223 122.820 0.139 0.000 2.208 228 A HA 0.266 4.510 4.320 -0.127 0.000 0.209 228 A C 1.421 178.978 177.584 -0.045 0.000 1.161 228 A CA 0.947 53.066 52.037 0.137 0.000 0.782 228 A CB 0.030 19.218 19.000 0.313 0.000 0.816 228 A HN 0.225 8.375 8.150 -0.000 0.000 0.477 229 G N -1.878 106.888 108.800 -0.057 0.000 2.427 229 G HA2 -0.131 3.752 3.960 -0.127 0.000 0.193 229 G HA3 -0.131 3.752 3.960 -0.127 0.000 0.193 229 G C -0.497 174.172 174.900 -0.384 0.000 1.086 229 G CA -0.182 44.779 45.100 -0.232 0.000 0.818 229 G HN 0.391 8.681 8.290 -0.000 0.000 0.490 230 Y N -1.017 119.297 120.300 0.022 0.000 2.576 230 Y HA 0.769 5.251 4.550 -0.114 0.000 0.346 230 Y C 0.424 176.349 175.900 0.041 0.000 1.018 230 Y CA -0.728 57.391 58.100 0.031 0.000 1.050 230 Y CB 2.356 40.844 38.460 0.046 0.000 1.280 230 Y HN 0.140 8.420 8.280 -0.000 0.000 0.474 231 T N 3.353 118.040 114.554 0.222 0.000 2.772 231 T HA 0.530 4.804 4.350 -0.127 0.000 0.288 231 T C -0.583 174.223 174.700 0.176 0.000 0.994 231 T CA -0.478 61.713 62.100 0.153 0.000 0.951 231 T CB -0.167 68.759 68.868 0.097 0.000 0.933 231 T HN 0.454 8.694 8.240 -0.000 0.000 0.447 232 I N 5.340 126.011 120.570 0.167 0.000 2.533 232 I HA 0.147 4.241 4.170 -0.127 0.000 0.284 232 I C 1.518 177.752 176.117 0.195 0.000 1.109 232 I CA -0.205 61.206 61.300 0.185 0.000 1.412 232 I CB 0.915 39.032 38.000 0.195 0.000 1.396 232 I HN 0.705 8.915 8.210 -0.000 0.000 0.543 233 E N 6.330 126.675 120.200 0.241 0.000 2.057 233 E HA -0.009 4.265 4.350 -0.127 0.000 0.190 233 E C -0.122 176.675 176.600 0.328 0.000 0.969 233 E CA 0.894 57.449 56.400 0.258 0.000 0.812 233 E CB 0.317 30.186 29.700 0.283 0.000 0.777 233 E HN 0.683 9.043 8.360 -0.000 0.000 0.455 234 W N -0.107 121.253 121.300 0.100 0.000 3.033 234 W HA 0.658 5.231 4.660 -0.145 0.000 0.336 234 W C -1.938 174.681 176.519 0.167 0.000 1.173 234 W CA -1.731 55.679 57.345 0.109 0.000 1.185 234 W CB 0.329 29.820 29.460 0.051 0.000 1.425 234 W HN -0.131 8.049 8.180 -0.000 0.000 0.536 235 F N 2.808 122.605 119.950 -0.255 0.000 2.588 235 F HA 0.344 4.805 4.527 -0.109 0.000 0.318 235 F C -0.881 174.659 175.800 -0.434 0.000 1.155 235 F CA -0.483 57.229 58.000 -0.480 0.000 0.967 235 F CB 1.689 40.559 39.000 -0.216 0.000 1.236 235 F HN 0.543 8.843 8.300 -0.000 0.000 0.455 236 E N 5.430 125.363 120.200 -0.444 0.000 2.288 236 E HA 0.660 4.934 4.350 -0.127 0.000 0.268 236 E C -2.097 174.537 176.600 0.058 0.000 0.885 236 E CA -0.743 55.571 56.400 -0.142 0.000 0.767 236 E CB 2.658 32.197 29.700 -0.268 0.000 1.220 236 E HN 0.451 8.811 8.360 -0.000 0.000 0.427 237 V N 5.621 125.621 119.914 0.144 0.000 2.531 237 V HA 0.354 4.397 4.120 -0.127 0.000 0.301 237 V C -0.020 176.117 176.094 0.072 0.000 1.034 237 V CA -0.808 61.582 62.300 0.150 0.000 0.865 237 V CB 1.466 33.386 31.823 0.161 0.000 0.995 237 V HN 0.589 8.779 8.190 -0.000 0.000 0.424 238 I N 3.081 123.655 120.570 0.007 0.000 2.707 238 I HA 0.570 4.664 4.170 -0.127 0.000 0.309 238 I C 0.925 176.992 176.117 -0.083 0.000 1.001 238 I CA -0.370 60.880 61.300 -0.082 0.000 1.129 238 I CB 2.134 39.968 38.000 -0.276 0.000 1.308 238 I HN 0.617 8.827 8.210 -0.000 0.000 0.466 239 S N 2.297 117.951 115.700 -0.077 0.000 2.503 239 S HA -0.006 4.387 4.470 -0.127 0.000 0.217 239 S C 0.917 175.465 174.600 -0.087 0.000 0.999 239 S CA -0.011 58.155 58.200 -0.057 0.000 0.914 239 S CB -0.374 62.806 63.200 -0.033 0.000 0.782 239 S HN 0.769 9.079 8.310 -0.000 0.000 0.520 240 Q N 2.716 122.432 119.800 -0.140 0.000 2.263 240 Q HA 0.299 4.563 4.340 -0.127 0.000 0.289 240 Q C -0.692 175.199 176.000 -0.182 0.000 1.061 240 Q CA 0.369 56.076 55.803 -0.161 0.000 0.927 240 Q CB 0.208 28.818 28.738 -0.213 0.000 1.154 240 Q HN 0.381 8.651 8.270 -0.000 0.000 0.378 241 S N 2.944 118.560 115.700 -0.140 0.000 2.648 241 S HA 0.509 4.902 4.470 -0.127 0.000 0.305 241 S C -1.016 173.501 174.600 -0.137 0.000 1.094 241 S CA -0.633 57.491 58.200 -0.127 0.000 0.983 241 S CB 0.470 63.654 63.200 -0.026 0.000 1.101 241 S HN 0.547 8.857 8.310 -0.000 0.000 0.514 242 Y N 1.471 121.772 120.300 0.002 0.000 2.335 242 Y HA 0.169 4.633 4.550 -0.144 0.000 0.348 242 Y C 1.456 177.359 175.900 0.005 0.000 1.280 242 Y CA 0.011 58.120 58.100 0.016 0.000 1.504 242 Y CB 0.241 38.745 38.460 0.074 0.000 1.366 242 Y HN 0.520 8.800 8.280 -0.000 0.000 0.621 243 S N 0.107 115.916 115.700 0.181 0.000 2.579 243 S HA -0.018 4.375 4.470 -0.127 0.000 0.275 243 S C 1.202 175.871 174.600 0.115 0.000 1.345 243 S CA -0.149 58.108 58.200 0.095 0.000 1.031 243 S CB 0.827 64.054 63.200 0.045 0.000 0.892 243 S HN 0.758 9.068 8.310 -0.000 0.000 0.529 244 S N 1.253 117.007 115.700 0.091 0.000 2.420 244 S HA -0.194 4.199 4.470 -0.127 0.000 0.237 244 S C 1.833 176.519 174.600 0.144 0.000 1.023 244 S CA 1.536 59.804 58.200 0.113 0.000 0.991 244 S CB -1.247 62.005 63.200 0.088 0.000 0.792 244 S HN 0.939 9.249 8.310 -0.000 0.000 0.488 245 T N -0.580 114.031 114.554 0.094 0.000 3.085 245 T HA 0.191 4.464 4.350 -0.127 0.000 0.263 245 T C 1.603 176.358 174.700 0.092 0.000 1.127 245 T CA 0.694 62.840 62.100 0.076 0.000 1.103 245 T CB -0.365 68.515 68.868 0.020 0.000 0.921 245 T HN 0.460 8.700 8.240 -0.000 0.000 0.510 246 M N 0.632 120.296 119.600 0.107 0.000 2.858 246 M HA 0.582 4.985 4.480 -0.127 0.000 0.255 246 M C 0.948 177.369 176.300 0.203 0.000 1.336 246 M CA 0.168 55.533 55.300 0.109 0.000 1.220 246 M CB -0.126 32.449 32.600 -0.041 0.000 1.252 246 M HN 0.334 8.624 8.290 -0.000 0.000 0.538 247 A N 2.198 125.094 122.820 0.127 0.000 2.572 247 A HA 0.558 4.801 4.320 -0.127 0.000 0.295 247 A C -0.803 176.723 177.584 -0.097 0.000 1.072 247 A CA -0.765 51.234 52.037 -0.063 0.000 0.691 247 A CB 0.832 19.821 19.000 -0.018 0.000 1.291 247 A HN 0.454 8.604 8.150 -0.000 0.000 0.404 248 N N 1.802 120.260 118.700 -0.403 0.000 2.558 248 N HA 0.036 4.700 4.740 -0.127 0.000 0.281 248 N C -0.562 174.895 175.510 -0.088 0.000 1.219 248 N CA -0.460 52.484 53.050 -0.176 0.000 0.942 248 N CB -0.278 38.093 38.487 -0.193 0.000 1.241 248 N HN 0.664 9.044 8.380 -0.000 0.000 0.511 249 N N -0.019 118.681 118.700 0.000 0.000 2.445 249 N HA 0.061 4.724 4.740 -0.127 0.000 0.264 249 N C -0.716 174.818 175.510 0.040 0.000 1.227 249 N CA -0.106 52.973 53.050 0.048 0.000 0.963 249 N CB 0.894 39.462 38.487 0.134 0.000 1.188 249 N HN 0.200 8.580 8.380 -0.000 0.000 0.491 250 E N -0.131 120.092 120.200 0.039 0.000 2.969 250 E HA 0.441 4.715 4.350 -0.127 0.000 0.213 250 E C -0.007 176.607 176.600 0.023 0.000 1.107 250 E CA -0.689 55.726 56.400 0.025 0.000 1.007 250 E CB 0.118 29.833 29.700 0.024 0.000 1.326 250 E HN 0.892 9.252 8.360 -0.000 0.000 0.432 251 G N 0.935 109.733 108.800 -0.003 0.000 2.710 251 G HA2 -0.180 3.704 3.960 -0.127 0.000 0.668 251 G HA3 -0.180 3.704 3.960 -0.127 0.000 0.668 251 G C -1.050 173.847 174.900 -0.005 0.000 1.320 251 G CA -1.013 44.071 45.100 -0.027 0.000 0.860 251 G HN 0.218 8.508 8.290 -0.000 0.000 0.538 252 L N -0.488 120.719 121.223 -0.026 0.000 2.376 252 L HA 0.899 5.163 4.340 -0.127 0.000 0.258 252 L C 0.108 177.030 176.870 0.087 0.000 1.013 252 L CA -0.935 53.902 54.840 -0.005 0.000 0.822 252 L CB 2.128 44.136 42.059 -0.086 0.000 1.388 252 L HN 0.932 9.162 8.230 -0.000 0.000 0.413 253 F N -0.582 119.361 119.950 -0.013 0.000 2.556 253 F HA 0.943 5.413 4.527 -0.095 0.000 0.327 253 F C -0.274 175.390 175.800 -0.227 0.000 1.059 253 F CA -0.837 57.095 58.000 -0.114 0.000 0.953 253 F CB 1.933 40.870 39.000 -0.105 0.000 1.227 253 F HN 0.413 8.713 8.300 -0.000 0.000 0.478 254 S N 2.752 118.270 115.700 -0.303 0.000 2.540 254 S HA 0.848 5.241 4.470 -0.127 0.000 0.275 254 S C -1.407 172.657 174.600 -0.894 0.000 1.123 254 S CA -0.702 57.227 58.200 -0.453 0.000 0.907 254 S CB 1.707 64.776 63.200 -0.218 0.000 1.081 254 S HN 1.425 9.735 8.310 -0.000 0.000 0.476 255 L N -0.082 120.781 121.223 -0.600 0.000 2.415 255 L HA 0.993 5.256 4.340 -0.127 0.000 0.256 255 L C -1.624 175.228 176.870 -0.031 0.000 1.010 255 L CA -0.982 53.447 54.840 -0.685 0.000 0.826 255 L CB 1.696 43.358 42.059 -0.662 0.000 1.405 255 L HN 0.488 8.718 8.230 -0.000 0.000 0.410 256 V N 1.449 121.511 119.914 0.245 0.000 2.483 256 V HA 0.946 4.990 4.120 -0.127 0.000 0.297 256 V C 0.115 176.383 176.094 0.289 0.000 1.027 256 V CA 0.153 62.677 62.300 0.374 0.000 0.855 256 V CB 1.075 33.162 31.823 0.441 0.000 0.995 256 V HN 1.229 9.419 8.190 -0.000 0.000 0.424 257 A N 4.961 127.907 122.820 0.209 0.000 2.430 257 A HA 1.004 5.247 4.320 -0.127 0.000 0.300 257 A C -0.698 177.038 177.584 0.252 0.000 1.124 257 A CA -0.902 51.249 52.037 0.191 0.000 0.766 257 A CB 2.006 21.047 19.000 0.068 0.000 1.328 257 A HN 0.731 8.881 8.150 -0.000 0.000 0.424 258 R N 0.135 120.782 120.500 0.245 0.000 2.670 258 R HA 0.488 4.752 4.340 -0.127 0.000 0.289 258 R C -0.617 175.834 176.300 0.251 0.000 0.965 258 R CA -0.578 55.623 56.100 0.168 0.000 0.899 258 R CB 1.454 31.768 30.300 0.024 0.000 1.173 258 R HN 0.729 8.999 8.270 -0.000 0.000 0.456 259 K N 3.004 123.500 120.400 0.160 0.000 2.412 259 K HA 0.150 4.394 4.320 -0.127 0.000 0.281 259 K C -0.311 176.231 176.600 -0.098 0.000 1.027 259 K CA -0.067 56.179 56.287 -0.067 0.000 0.989 259 K CB 0.409 32.851 32.500 -0.097 0.000 0.935 259 K HN 0.444 8.694 8.250 -0.000 0.000 0.475 260 L N 0.000 121.132 121.223 -0.152 0.000 2.949 260 L HA 0.000 4.264 4.340 -0.127 0.000 0.249 260 L CA 0.000 54.788 54.840 -0.086 0.000 0.813 260 L CB 0.000 42.014 42.059 -0.075 0.000 0.961 260 L HN 0.000 8.230 8.230 -0.000 0.000 0.502