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 1ro8_1_A DATA FIRST_RESID -3 DATA SEQUENCE GSHXXKKVII AGNGPSLKEI DYSRLPNDFD VFRCNQFYFE DKYYLGKKCK DATA SEQUENCE AVFYNPSLFF EQYYTLKHLI QNQEYETELI XCSNYNQAHL ENENFVKTFY DATA SEQUENCE DYFPDAHLGY DFFKQLKDFN AYFKFHEIYF NQRITSGVYX CAVAIALGYK DATA SEQUENCE EIYLSGIDFY QNGSSYAFDT KQKNLLKLXX XXXXXXXXXX XHSKNTDIKA DATA SEQUENCE LEFLEKTYKI KLYCLCPNSL LANFIGLAPN LNSNFIIQEK NNYTKDILIP DATA SEQUENCE SSEAYGKFSK NI 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 -3 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 -3 G HA3 0.000 3.969 3.960 0.016 0.000 0.244 -3 G C 0.000 174.870 174.900 -0.050 0.000 0.946 -3 G CA 0.000 45.095 45.100 -0.009 0.000 0.502 -2 S N 0.048 115.569 115.700 -0.298 0.000 2.835 -2 S HA 0.219 4.699 4.470 0.016 0.000 0.140 -2 S C -0.299 173.949 174.600 -0.587 0.000 1.131 -2 S CA -0.689 57.301 58.200 -0.351 0.000 1.110 -2 S CB -0.289 62.813 63.200 -0.163 0.000 1.683 -2 S HN 0.847 9.157 8.310 -0.000 0.000 0.473 3 K N 1.107 121.682 120.400 0.292 0.000 2.123 3 K HA 0.568 4.897 4.320 0.016 0.000 0.259 3 K C -1.243 175.480 176.600 0.205 0.000 0.960 3 K CA -0.897 55.573 56.287 0.306 0.000 0.872 3 K CB 2.170 34.840 32.500 0.284 0.000 1.079 3 K HN 0.251 8.501 8.250 -0.000 0.000 0.440 4 V N 4.235 124.159 119.914 0.016 0.000 2.789 4 V HA 0.494 4.623 4.120 0.016 0.000 0.311 4 V C -1.331 174.642 176.094 -0.202 0.000 1.073 4 V CA -0.835 61.267 62.300 -0.330 0.000 0.921 4 V CB 1.588 32.682 31.823 -1.216 0.000 1.009 4 V HN 0.635 8.825 8.190 -0.000 0.000 0.426 5 I N 6.989 127.418 120.570 -0.235 0.000 2.330 5 I HA 0.423 4.603 4.170 0.016 0.000 0.289 5 I C -0.570 175.430 176.117 -0.195 0.000 1.001 5 I CA -0.557 60.612 61.300 -0.218 0.000 1.193 5 I CB 1.509 39.278 38.000 -0.385 0.000 1.345 5 I HN 0.362 8.572 8.210 -0.000 0.000 0.461 6 I N 5.880 126.347 120.570 -0.172 0.000 2.304 6 I HA 0.402 4.581 4.170 0.016 0.000 0.291 6 I C 0.495 176.566 176.117 -0.077 0.000 1.018 6 I CA -0.281 60.946 61.300 -0.122 0.000 1.260 6 I CB 1.173 39.087 38.000 -0.144 0.000 1.390 6 I HN 0.533 8.743 8.210 -0.000 0.000 0.475 7 A N 5.665 128.466 122.820 -0.030 0.000 2.287 7 A HA 0.766 5.095 4.320 0.016 0.000 0.317 7 A C 0.413 177.997 177.584 -0.001 0.000 1.220 7 A CA -0.415 51.611 52.037 -0.018 0.000 0.835 7 A CB 0.940 19.958 19.000 0.030 0.000 1.180 7 A HN 0.805 8.955 8.150 -0.000 0.000 0.500 8 G N 0.254 109.033 108.800 -0.036 0.000 2.543 8 G HA2 0.385 4.355 3.960 0.016 0.000 0.290 8 G HA3 0.385 4.355 3.960 0.016 0.000 0.290 8 G C 0.091 175.003 174.900 0.020 0.000 1.310 8 G CA -0.601 44.481 45.100 -0.030 0.000 1.025 8 G HN 0.765 9.055 8.290 -0.000 0.000 0.502 9 N N -0.740 117.988 118.700 0.047 0.000 2.275 9 N HA 0.237 4.986 4.740 0.016 0.000 0.236 9 N C 0.918 176.389 175.510 -0.066 0.000 1.154 9 N CA -0.358 52.763 53.050 0.118 0.000 0.866 9 N CB 0.989 39.667 38.487 0.319 0.000 1.093 9 N HN 0.558 8.938 8.380 -0.000 0.000 0.515 10 G N 1.633 110.307 108.800 -0.209 0.000 2.667 10 G HA2 0.046 4.015 3.960 0.016 0.000 0.250 10 G HA3 0.046 4.015 3.960 0.016 0.000 0.250 10 G C -1.143 173.589 174.900 -0.280 0.000 1.212 10 G CA -0.818 44.072 45.100 -0.351 0.000 0.874 10 G HN -0.035 8.255 8.290 -0.000 0.000 0.561 11 P HA -0.131 4.289 4.420 -0.000 0.000 0.222 11 P C 1.755 178.938 177.300 -0.195 0.000 1.147 11 P CA 1.624 64.597 63.100 -0.212 0.000 0.790 11 P CB 0.061 31.657 31.700 -0.174 0.000 0.780 12 S N -0.622 114.958 115.700 -0.200 0.000 2.507 12 S HA -0.092 4.387 4.470 0.016 0.000 0.235 12 S C 1.856 176.332 174.600 -0.207 0.000 0.988 12 S CA 0.341 58.431 58.200 -0.183 0.000 0.944 12 S CB -1.466 61.630 63.200 -0.173 0.000 0.762 12 S HN 0.025 8.335 8.310 -0.000 0.000 0.526 13 L N 1.325 122.415 121.223 -0.220 0.000 2.191 13 L HA 0.091 4.441 4.340 0.016 0.000 0.212 13 L C 1.833 178.449 176.870 -0.423 0.000 1.103 13 L CA 1.671 56.370 54.840 -0.234 0.000 0.769 13 L CB -0.483 41.490 42.059 -0.143 0.000 0.908 13 L HN 0.196 8.426 8.230 -0.000 0.000 0.438 14 K N -0.467 119.656 120.400 -0.462 0.000 2.404 14 K HA 0.111 4.440 4.320 0.016 0.000 0.194 14 K C 0.349 176.831 176.600 -0.197 0.000 1.023 14 K CA 0.349 56.313 56.287 -0.538 0.000 1.094 14 K CB 0.203 32.484 32.500 -0.365 0.000 0.841 14 K HN 0.421 8.671 8.250 -0.000 0.000 0.523 15 E N 1.218 121.310 120.200 -0.179 0.000 2.989 15 E HA 0.130 4.490 4.350 0.016 0.000 0.207 15 E C -0.512 175.985 176.600 -0.172 0.000 0.989 15 E CA -0.226 56.105 56.400 -0.116 0.000 1.186 15 E CB 0.587 30.229 29.700 -0.097 0.000 1.141 15 E HN 0.080 8.440 8.360 -0.000 0.000 0.454 16 I N 2.083 122.483 120.570 -0.283 0.000 2.618 16 I HA -0.030 4.150 4.170 0.016 0.000 0.284 16 I C 0.626 176.443 176.117 -0.500 0.000 1.146 16 I CA 0.139 61.146 61.300 -0.488 0.000 1.425 16 I CB 0.248 37.724 38.000 -0.873 0.000 1.383 16 I HN 0.095 8.305 8.210 -0.000 0.000 0.562 17 D N 6.391 126.590 120.400 -0.334 0.000 2.422 17 D HA 0.030 4.679 4.640 0.016 0.000 0.227 17 D C 0.710 176.879 176.300 -0.218 0.000 1.190 17 D CA -0.229 53.661 54.000 -0.183 0.000 0.905 17 D CB 0.240 40.981 40.800 -0.099 0.000 1.034 17 D HN 0.280 8.650 8.370 -0.000 0.000 0.507 18 Y N 1.407 121.707 120.300 0.000 0.000 2.569 18 Y HA -0.172 4.388 4.550 0.015 0.000 0.293 18 Y C 2.552 178.451 175.900 -0.001 0.000 1.144 18 Y CA 1.129 59.229 58.100 0.001 0.000 1.321 18 Y CB -0.221 38.291 38.460 0.087 0.000 0.982 18 Y HN 0.420 8.700 8.280 -0.000 0.000 0.558 19 S N -0.499 115.261 115.700 0.100 0.000 2.527 19 S HA -0.012 4.467 4.470 0.016 0.000 0.222 19 S C 1.565 176.168 174.600 0.005 0.000 0.985 19 S CA 0.149 58.386 58.200 0.063 0.000 0.921 19 S CB -0.091 63.138 63.200 0.049 0.000 0.772 19 S HN 0.444 8.754 8.310 -0.000 0.000 0.529 20 R N -0.157 120.320 120.500 -0.039 0.000 2.362 20 R HA 0.388 4.737 4.340 0.016 0.000 0.227 20 R C -0.576 175.639 176.300 -0.141 0.000 0.905 20 R CA -0.343 55.711 56.100 -0.076 0.000 1.067 20 R CB -0.001 30.255 30.300 -0.074 0.000 1.078 20 R HN 0.282 8.552 8.270 -0.000 0.000 0.516 21 L N 3.590 124.721 121.223 -0.153 0.000 2.410 21 L HA 0.177 4.526 4.340 0.016 0.000 0.273 21 L C -2.016 174.727 176.870 -0.213 0.000 1.144 21 L CA -2.099 52.576 54.840 -0.275 0.000 0.863 21 L CB 0.417 42.354 42.059 -0.203 0.000 1.140 21 L HN -0.085 8.145 8.230 -0.000 0.000 0.463 22 P HA 0.038 4.458 4.420 -0.000 0.000 0.269 22 P C -0.291 177.055 177.300 0.076 0.000 1.215 22 P CA 0.053 63.035 63.100 -0.197 0.000 0.780 22 P CB 0.603 32.054 31.700 -0.414 0.000 0.898 23 N N -0.095 118.638 118.700 0.054 0.000 2.289 23 N HA -0.127 4.622 4.740 0.016 0.000 0.184 23 N C 0.199 175.729 175.510 0.033 0.000 1.016 23 N CA 1.255 54.346 53.050 0.068 0.000 0.872 23 N CB -0.065 38.442 38.487 0.034 0.000 0.973 23 N HN 0.574 8.954 8.380 -0.000 0.000 0.433 24 D N -1.467 118.953 120.400 0.033 0.000 2.857 24 D HA 0.471 5.121 4.640 0.016 0.000 0.227 24 D C -1.547 174.755 176.300 0.003 0.000 1.192 24 D CA -0.785 53.152 54.000 -0.106 0.000 0.857 24 D CB 1.196 41.965 40.800 -0.052 0.000 1.645 24 D HN 0.009 8.379 8.370 -0.000 0.000 0.482 25 F N -0.260 119.673 119.950 -0.029 0.000 2.770 25 F HA 0.488 5.024 4.527 0.015 0.000 0.313 25 F C -1.537 174.266 175.800 0.005 0.000 1.154 25 F CA -1.096 56.880 58.000 -0.040 0.000 0.923 25 F CB 0.835 39.745 39.000 -0.150 0.000 1.301 25 F HN 0.015 8.315 8.300 -0.000 0.000 0.449 26 D N 1.058 121.619 120.400 0.269 0.000 2.268 26 D HA 0.673 5.322 4.640 0.016 0.000 0.249 26 D C -0.963 175.480 176.300 0.238 0.000 1.008 26 D CA -0.293 53.838 54.000 0.218 0.000 0.939 26 D CB 2.536 43.465 40.800 0.216 0.000 1.170 26 D HN 0.475 8.845 8.370 -0.000 0.000 0.468 27 V N 2.084 122.161 119.914 0.273 0.000 2.531 27 V HA 0.347 4.476 4.120 0.016 0.000 0.301 27 V C -0.845 175.482 176.094 0.389 0.000 1.034 27 V CA -0.797 61.651 62.300 0.246 0.000 0.865 27 V CB 1.465 33.444 31.823 0.259 0.000 0.995 27 V HN 0.317 8.507 8.190 -0.000 0.000 0.424 28 F N 4.923 124.852 119.950 -0.034 0.000 2.411 28 F HA 0.723 5.259 4.527 0.016 0.000 0.352 28 F C 0.482 176.235 175.800 -0.079 0.000 1.123 28 F CA -0.947 57.042 58.000 -0.017 0.000 1.044 28 F CB 1.490 40.450 39.000 -0.067 0.000 1.135 28 F HN 0.333 8.633 8.300 -0.000 0.000 0.461 29 R N 1.979 122.477 120.500 -0.004 0.000 2.902 29 R HA 0.787 5.136 4.340 0.016 0.000 0.258 29 R C -0.732 175.514 176.300 -0.090 0.000 1.071 29 R CA -0.614 55.383 56.100 -0.172 0.000 1.024 29 R CB 1.577 31.453 30.300 -0.707 0.000 1.184 29 R HN 0.784 9.054 8.270 -0.000 0.000 0.492 30 C N -1.565 117.768 119.300 0.055 0.000 3.173 30 C HA 0.523 4.992 4.460 0.016 0.000 0.310 30 C C 0.744 175.928 174.990 0.322 0.000 1.306 30 C CA -0.690 58.413 59.018 0.141 0.000 1.426 30 C CB 0.771 28.565 27.740 0.089 0.000 1.800 30 C HN 1.063 9.293 8.230 -0.000 0.000 0.470 31 N N 0.241 119.131 118.700 0.316 0.000 1.320 31 N HA -0.343 4.406 4.740 0.016 0.000 0.139 31 N C -0.119 175.519 175.510 0.212 0.000 0.550 31 N CA 2.116 55.377 53.050 0.351 0.000 1.036 31 N CB -0.749 37.838 38.487 0.168 0.000 1.344 31 N HN 0.923 9.303 8.380 -0.000 0.000 0.468 32 Q N 1.242 120.931 119.800 -0.185 0.000 2.244 32 Q HA 0.206 4.555 4.340 0.016 0.000 0.239 32 Q C 0.882 176.387 176.000 -0.825 0.000 0.890 32 Q CA 0.014 55.272 55.803 -0.909 0.000 0.964 32 Q CB -0.521 27.351 28.738 -1.444 0.000 1.076 32 Q HN 0.530 8.800 8.270 -0.000 0.000 0.447 33 F N -0.812 119.014 119.950 -0.208 0.000 2.120 33 F HA -0.316 4.220 4.527 0.015 0.000 0.300 33 F C 1.553 177.276 175.800 -0.128 0.000 1.095 33 F CA 1.023 58.989 58.000 -0.056 0.000 1.249 33 F CB -1.126 37.902 39.000 0.047 0.000 0.995 33 F HN 0.294 8.594 8.300 -0.000 0.000 0.480 34 Y N -2.333 117.293 120.300 -1.123 0.000 2.651 34 Y HA 0.010 4.569 4.550 0.015 0.000 0.296 34 Y C 1.447 177.325 175.900 -0.038 0.000 1.150 34 Y CA -0.357 57.418 58.100 -0.543 0.000 1.348 34 Y CB -1.946 36.115 38.460 -0.664 0.000 0.983 34 Y HN 0.054 8.334 8.280 -0.000 0.000 0.555 35 F N 2.149 121.544 119.950 -0.925 0.000 2.502 35 F HA -0.010 4.527 4.527 0.016 0.000 0.298 35 F C 1.267 176.749 175.800 -0.530 0.000 1.111 35 F CA -0.337 57.138 58.000 -0.875 0.000 1.445 35 F CB -0.869 37.142 39.000 -1.648 0.000 1.081 35 F HN 0.298 8.598 8.300 -0.000 0.000 0.558 36 E N 1.074 121.153 120.200 -0.201 0.000 2.481 36 E HA -0.110 4.250 4.350 0.016 0.000 0.263 36 E C 0.509 177.076 176.600 -0.056 0.000 0.992 36 E CA 0.485 56.993 56.400 0.180 0.000 0.938 36 E CB 0.339 30.275 29.700 0.394 0.000 0.933 36 E HN 0.329 8.689 8.360 -0.000 0.000 0.453 37 D N 2.719 123.131 120.400 0.019 0.000 2.349 37 D HA 0.002 4.652 4.640 0.016 0.000 0.215 37 D C -0.096 175.906 176.300 -0.497 0.000 1.016 37 D CA 0.455 54.282 54.000 -0.288 0.000 0.870 37 D CB 0.261 41.076 40.800 0.025 0.000 0.917 37 D HN 0.323 8.693 8.370 -0.000 0.000 0.524 38 K N -0.685 119.375 120.400 -0.566 0.000 2.536 38 K HA 0.235 4.565 4.320 0.016 0.000 0.269 38 K C -1.286 174.885 176.600 -0.715 0.000 0.965 38 K CA -0.833 55.010 56.287 -0.740 0.000 0.860 38 K CB 1.793 33.799 32.500 -0.822 0.000 1.423 38 K HN -0.148 8.102 8.250 -0.000 0.000 0.438 39 Y N 2.074 122.185 120.300 -0.315 0.000 2.623 39 Y HA 0.018 4.577 4.550 0.015 0.000 0.341 39 Y C 0.586 176.524 175.900 0.064 0.000 1.292 39 Y CA -0.081 57.984 58.100 -0.058 0.000 1.840 39 Y CB -0.367 38.064 38.460 -0.048 0.000 1.865 39 Y HN 0.593 8.873 8.280 -0.000 0.000 0.440 40 Y N 0.220 120.752 120.300 0.387 0.000 2.315 40 Y HA -0.207 4.352 4.550 0.015 0.000 0.288 40 Y C 1.391 177.590 175.900 0.498 0.000 1.154 40 Y CA 1.316 59.675 58.100 0.431 0.000 1.229 40 Y CB -0.160 38.501 38.460 0.335 0.000 0.980 40 Y HN 0.456 8.736 8.280 -0.000 0.000 0.540 41 L N -1.246 120.325 121.223 0.581 0.000 3.333 41 L HA 0.432 4.781 4.340 0.016 0.000 0.299 41 L C 0.628 177.850 176.870 0.587 0.000 1.256 41 L CA 0.036 55.141 54.840 0.441 0.000 1.037 41 L CB 0.395 42.612 42.059 0.264 0.000 1.423 41 L HN 0.212 8.442 8.230 -0.000 0.000 0.605 42 G N 0.606 109.789 108.800 0.638 0.000 2.712 42 G HA2 -0.217 3.753 3.960 0.016 0.000 0.683 42 G HA3 -0.217 3.753 3.960 0.016 0.000 0.683 42 G C 0.054 175.079 174.900 0.209 0.000 1.320 42 G CA -0.335 44.998 45.100 0.389 0.000 0.847 42 G HN 0.178 8.468 8.290 -0.000 0.000 0.553 43 K N -0.189 120.116 120.400 -0.158 0.000 2.361 43 K HA 0.060 4.389 4.320 0.016 0.000 0.196 43 K C 0.821 177.478 176.600 0.095 0.000 1.039 43 K CA 0.760 56.890 56.287 -0.261 0.000 1.001 43 K CB 0.160 32.290 32.500 -0.617 0.000 0.795 43 K HN 0.411 8.661 8.250 -0.000 0.000 0.495 44 K N 1.372 121.832 120.400 0.099 0.000 2.234 44 K HA 0.252 4.581 4.320 0.016 0.000 0.277 44 K C -0.832 175.867 176.600 0.164 0.000 1.038 44 K CA -0.535 55.822 56.287 0.118 0.000 0.888 44 K CB 1.328 33.863 32.500 0.058 0.000 1.091 44 K HN -0.024 8.226 8.250 -0.000 0.000 0.467 45 C N 2.381 121.768 119.300 0.145 0.000 2.411 45 C HA 0.279 4.749 4.460 0.016 0.000 0.330 45 C C 1.489 176.549 174.990 0.117 0.000 1.224 45 C CA -0.875 58.213 59.018 0.116 0.000 1.770 45 C CB 1.381 29.115 27.740 -0.010 0.000 2.297 45 C HN 0.886 9.116 8.230 -0.000 0.000 0.507 46 K N 1.325 121.836 120.400 0.186 0.000 2.186 46 K HA 0.388 4.718 4.320 0.016 0.000 0.202 46 K C 0.361 177.001 176.600 0.068 0.000 1.052 46 K CA 1.168 57.580 56.287 0.209 0.000 0.965 46 K CB 0.132 32.876 32.500 0.407 0.000 0.746 46 K HN 0.908 9.158 8.250 -0.000 0.000 0.457 47 A N -0.221 122.571 122.820 -0.047 0.000 2.589 47 A HA 0.545 4.874 4.320 0.016 0.000 0.296 47 A C -1.508 175.925 177.584 -0.251 0.000 1.062 47 A CA -0.424 51.427 52.037 -0.310 0.000 0.686 47 A CB 1.361 19.888 19.000 -0.789 0.000 1.282 47 A HN 0.244 8.394 8.150 -0.000 0.000 0.404 48 V N -1.045 118.685 119.914 -0.306 0.000 2.604 48 V HA 0.943 5.072 4.120 0.016 0.000 0.305 48 V C -1.173 174.671 176.094 -0.418 0.000 1.043 48 V CA -0.870 61.241 62.300 -0.314 0.000 0.888 48 V CB 1.128 32.732 31.823 -0.365 0.000 0.995 48 V HN 0.678 8.868 8.190 -0.000 0.000 0.429 49 F N 3.673 123.333 119.950 -0.482 0.000 2.480 49 F HA 0.822 5.358 4.527 0.016 0.000 0.329 49 F C -0.385 175.169 175.800 -0.410 0.000 1.091 49 F CA -0.980 56.828 58.000 -0.320 0.000 0.972 49 F CB 1.881 40.803 39.000 -0.131 0.000 1.150 49 F HN 0.528 8.828 8.300 -0.000 0.000 0.467 50 Y N 1.038 121.519 120.300 0.301 0.000 2.457 50 Y HA 0.321 4.879 4.550 0.014 0.000 0.343 50 Y C -0.007 176.028 175.900 0.225 0.000 0.994 50 Y CA -1.465 56.781 58.100 0.244 0.000 1.031 50 Y CB 1.506 40.070 38.460 0.174 0.000 1.246 50 Y HN 0.455 8.735 8.280 -0.000 0.000 0.449 51 N N 3.783 122.656 118.700 0.288 0.000 2.479 51 N HA 0.043 4.792 4.740 0.016 0.000 0.257 51 N C -1.934 173.665 175.510 0.148 0.000 1.232 51 N CA -1.076 52.052 53.050 0.131 0.000 0.920 51 N CB 0.918 39.460 38.487 0.091 0.000 1.105 51 N HN 0.396 8.776 8.380 -0.000 0.000 0.444 52 P HA -0.131 4.289 4.420 -0.000 0.000 0.218 52 P C 1.346 178.491 177.300 -0.259 0.000 1.148 52 P CA 1.322 64.300 63.100 -0.203 0.000 0.822 52 P CB 0.145 31.671 31.700 -0.289 0.000 0.784 53 S N -1.388 114.251 115.700 -0.102 0.000 2.419 53 S HA -0.104 4.375 4.470 0.016 0.000 0.233 53 S C 1.443 176.062 174.600 0.031 0.000 1.016 53 S CA 1.175 59.345 58.200 -0.050 0.000 0.974 53 S CB -0.937 62.260 63.200 -0.004 0.000 0.786 53 S HN 0.008 8.318 8.310 -0.000 0.000 0.492 54 L N -0.322 120.942 121.223 0.068 0.000 2.906 54 L HA 0.520 4.870 4.340 0.016 0.000 0.255 54 L C 1.128 178.031 176.870 0.054 0.000 1.166 54 L CA -0.224 54.664 54.840 0.079 0.000 0.977 54 L CB -0.513 41.575 42.059 0.048 0.000 1.313 54 L HN 0.246 8.476 8.230 -0.000 0.000 0.549 55 F N -0.060 119.890 119.950 -0.001 0.000 2.095 55 F HA -0.322 4.217 4.527 0.021 0.000 0.298 55 F C 2.320 178.105 175.800 -0.026 0.000 1.104 55 F CA 1.955 59.958 58.000 0.005 0.000 1.232 55 F CB -0.209 38.879 39.000 0.147 0.000 0.987 55 F HN 0.200 8.500 8.300 -0.000 0.000 0.475 56 F N 1.017 120.990 119.950 0.037 0.000 2.091 56 F HA -0.301 4.235 4.527 0.015 0.000 0.299 56 F C 2.132 177.828 175.800 -0.174 0.000 1.103 56 F CA 2.105 60.014 58.000 -0.151 0.000 1.228 56 F CB -0.208 38.620 39.000 -0.288 0.000 0.984 56 F HN -0.019 8.281 8.300 -0.000 0.000 0.477 57 E N -0.192 119.896 120.200 -0.187 0.000 2.112 57 E HA -0.166 4.194 4.350 0.016 0.000 0.190 57 E C 2.155 178.596 176.600 -0.264 0.000 0.979 57 E CA 0.869 57.126 56.400 -0.238 0.000 0.814 57 E CB -0.263 29.414 29.700 -0.039 0.000 0.762 57 E HN 0.426 8.786 8.360 -0.000 0.000 0.460 58 Q N -0.440 119.103 119.800 -0.430 0.000 2.079 58 Q HA -0.164 4.186 4.340 0.016 0.000 0.200 58 Q C 2.020 177.541 176.000 -0.797 0.000 0.974 58 Q CA 1.177 56.502 55.803 -0.797 0.000 0.840 58 Q CB -0.435 27.433 28.738 -1.449 0.000 0.898 58 Q HN 0.413 8.683 8.270 -0.000 0.000 0.430 59 Y N 0.345 120.133 120.300 -0.853 0.000 2.181 59 Y HA -0.309 4.252 4.550 0.018 0.000 0.288 59 Y C 2.245 177.990 175.900 -0.258 0.000 1.146 59 Y CA 1.721 59.483 58.100 -0.564 0.000 1.164 59 Y CB -0.573 37.580 38.460 -0.512 0.000 0.982 59 Y HN 0.176 8.456 8.280 -0.000 0.000 0.515 60 Y N 0.085 120.195 120.300 -0.316 0.000 2.128 60 Y HA -0.298 4.261 4.550 0.015 0.000 0.284 60 Y C 2.389 178.108 175.900 -0.301 0.000 1.154 60 Y CA 2.199 60.111 58.100 -0.313 0.000 1.149 60 Y CB -0.407 37.813 38.460 -0.399 0.000 0.976 60 Y HN 0.079 8.359 8.280 -0.000 0.000 0.505 61 T N 1.086 115.441 114.554 -0.332 0.000 2.821 61 T HA -0.194 4.166 4.350 0.016 0.000 0.267 61 T C 1.699 176.163 174.700 -0.393 0.000 1.046 61 T CA 1.327 63.182 62.100 -0.408 0.000 1.139 61 T CB -0.534 68.091 68.868 -0.405 0.000 0.871 61 T HN 0.300 8.540 8.240 -0.000 0.000 0.454 62 L N 1.295 122.283 121.223 -0.392 0.000 2.046 62 L HA -0.048 4.301 4.340 0.016 0.000 0.208 62 L C 2.145 178.878 176.870 -0.229 0.000 1.077 62 L CA 1.787 56.474 54.840 -0.253 0.000 0.747 62 L CB -0.450 41.530 42.059 -0.131 0.000 0.896 62 L HN -0.065 8.165 8.230 -0.000 0.000 0.432 63 K N -0.841 119.365 120.400 -0.323 0.000 2.152 63 K HA -0.230 4.099 4.320 0.016 0.000 0.206 63 K C 2.215 178.694 176.600 -0.203 0.000 1.048 63 K CA 1.622 57.748 56.287 -0.268 0.000 0.933 63 K CB -0.855 31.466 32.500 -0.299 0.000 0.721 63 K HN 0.634 8.884 8.250 -0.000 0.000 0.447 64 H N 0.963 119.842 119.070 -0.318 0.000 2.363 64 H HA 0.030 4.595 4.556 0.015 0.000 0.301 64 H C 2.046 177.276 175.328 -0.163 0.000 1.074 64 H CA 0.974 56.861 56.048 -0.267 0.000 1.354 64 H CB 0.058 29.608 29.762 -0.354 0.000 1.397 64 H HN 0.048 8.328 8.280 -0.000 0.000 0.516 65 L N 0.396 121.505 121.223 -0.189 0.000 2.042 65 L HA -0.197 4.152 4.340 0.016 0.000 0.210 65 L C 2.841 179.675 176.870 -0.060 0.000 1.076 65 L CA 1.152 55.939 54.840 -0.088 0.000 0.749 65 L CB -0.355 41.721 42.059 0.029 0.000 0.893 65 L HN 0.265 8.495 8.230 -0.000 0.000 0.432 66 I N -0.700 119.832 120.570 -0.063 0.000 2.202 66 I HA -0.285 3.894 4.170 0.016 0.000 0.242 66 I C 2.668 178.732 176.117 -0.088 0.000 1.091 66 I CA 1.026 62.305 61.300 -0.036 0.000 1.368 66 I CB -0.197 37.782 38.000 -0.035 0.000 1.058 66 I HN 0.275 8.485 8.210 -0.000 0.000 0.410 67 Q N 1.344 121.057 119.800 -0.146 0.000 2.135 67 Q HA -0.250 4.099 4.340 0.016 0.000 0.204 67 Q C 1.715 177.612 176.000 -0.170 0.000 0.981 67 Q CA 1.834 57.548 55.803 -0.147 0.000 0.856 67 Q CB -0.323 28.318 28.738 -0.162 0.000 0.902 67 Q HN 0.359 8.629 8.270 -0.000 0.000 0.425 68 N N -0.413 118.130 118.700 -0.262 0.000 2.398 68 N HA -0.021 4.728 4.740 0.016 0.000 0.188 68 N C -0.647 174.792 175.510 -0.118 0.000 1.122 68 N CA 0.305 53.218 53.050 -0.228 0.000 0.866 68 N CB 0.215 38.471 38.487 -0.385 0.000 0.970 68 N HN 0.248 8.628 8.380 -0.000 0.000 0.462 69 Q N -1.127 118.619 119.800 -0.090 0.000 2.494 69 Q HA -0.252 4.098 4.340 0.016 0.000 0.272 69 Q C 0.056 176.026 176.000 -0.051 0.000 1.145 69 Q CA 0.842 56.610 55.803 -0.058 0.000 0.943 69 Q CB -1.560 27.141 28.738 -0.062 0.000 1.338 69 Q HN 0.609 8.879 8.270 -0.000 0.000 0.492 70 E N -1.093 119.103 120.200 -0.008 0.000 2.190 70 E HA 0.032 4.391 4.350 0.016 0.000 0.191 70 E C -0.218 176.259 176.600 -0.204 0.000 0.978 70 E CA 0.855 57.253 56.400 -0.002 0.000 0.839 70 E CB 0.430 30.218 29.700 0.146 0.000 0.787 70 E HN 0.325 8.685 8.360 -0.000 0.000 0.473 71 Y N -0.555 119.827 120.300 0.138 0.000 2.625 71 Y HA 0.349 4.909 4.550 0.016 0.000 0.338 71 Y C -0.743 175.202 175.900 0.075 0.000 1.123 71 Y CA -1.095 57.099 58.100 0.158 0.000 1.046 71 Y CB 1.981 40.634 38.460 0.322 0.000 1.299 71 Y HN -0.254 8.026 8.280 -0.000 0.000 0.464 72 E N 0.160 120.510 120.200 0.250 0.000 2.340 72 E HA 0.651 5.010 4.350 0.016 0.000 0.273 72 E C -1.470 175.210 176.600 0.133 0.000 0.891 72 E CA -1.033 55.448 56.400 0.135 0.000 0.757 72 E CB 2.961 32.703 29.700 0.069 0.000 1.231 72 E HN 0.450 8.810 8.360 -0.000 0.000 0.439 73 T N 0.482 115.092 114.554 0.094 0.000 2.889 73 T HA 0.199 4.558 4.350 0.016 0.000 0.315 73 T C -0.298 174.443 174.700 0.067 0.000 1.291 73 T CA -0.355 61.787 62.100 0.070 0.000 1.028 73 T CB 1.640 70.534 68.868 0.043 0.000 1.235 73 T HN 0.524 8.764 8.240 -0.000 0.000 0.491 74 E N 1.668 121.906 120.200 0.065 0.000 2.099 74 E HA 0.300 4.659 4.350 0.016 0.000 0.191 74 E C 0.069 176.720 176.600 0.086 0.000 0.962 74 E CA 0.389 56.836 56.400 0.077 0.000 0.826 74 E CB 0.360 30.110 29.700 0.083 0.000 0.788 74 E HN 0.438 8.798 8.360 -0.000 0.000 0.461 75 L N 1.337 122.583 121.223 0.038 0.000 2.334 75 L HA 0.522 4.871 4.340 0.016 0.000 0.273 75 L C -0.182 176.682 176.870 -0.009 0.000 1.013 75 L CA -0.632 54.228 54.840 0.035 0.000 0.816 75 L CB 1.698 43.703 42.059 -0.090 0.000 1.278 75 L HN -0.021 8.209 8.230 -0.000 0.000 0.431 79 S N 5.176 120.777 115.700 -0.165 0.000 3.919 79 S HA 0.287 4.767 4.470 0.016 0.000 0.245 79 S C 0.179 174.309 174.600 -0.784 0.000 1.344 79 S CA -0.381 57.395 58.200 -0.706 0.000 0.896 79 S CB -0.462 62.150 63.200 -0.979 0.000 1.557 79 S HN 0.921 9.231 8.310 -0.000 0.000 0.468 80 N N 1.242 119.639 118.700 -0.504 0.000 2.502 80 N HA 0.315 5.064 4.740 0.016 0.000 0.280 80 N C -0.729 174.412 175.510 -0.616 0.000 1.223 80 N CA -0.900 51.883 53.050 -0.445 0.000 0.966 80 N CB 0.485 38.837 38.487 -0.226 0.000 1.203 80 N HN 0.381 8.761 8.380 -0.000 0.000 0.565 81 Y N -2.045 118.055 120.300 -0.334 0.000 2.610 81 Y HA 0.279 4.838 4.550 0.015 0.000 0.254 81 Y C -0.334 175.044 175.900 -0.870 0.000 1.110 81 Y CA -0.518 57.256 58.100 -0.544 0.000 1.238 81 Y CB 0.087 38.374 38.460 -0.289 0.000 1.322 81 Y HN 0.454 8.734 8.280 -0.000 0.000 0.547 82 N N 1.803 120.195 118.700 -0.515 0.000 2.746 82 N HA -0.163 4.586 4.740 0.016 0.000 0.250 82 N C -1.324 174.087 175.510 -0.165 0.000 1.055 82 N CA 0.609 53.433 53.050 -0.377 0.000 0.699 82 N CB -0.749 37.392 38.487 -0.576 0.000 0.919 82 N HN 0.254 8.634 8.380 -0.000 0.000 0.548 83 Q N -0.805 118.935 119.800 -0.099 0.000 2.310 83 Q HA 0.602 4.951 4.340 0.016 0.000 0.270 83 Q C 0.887 176.845 176.000 -0.071 0.000 1.025 83 Q CA 0.065 55.836 55.803 -0.054 0.000 0.772 83 Q CB 1.609 30.274 28.738 -0.123 0.000 1.253 83 Q HN 0.264 8.534 8.270 -0.000 0.000 0.450 84 A N 2.812 125.648 122.820 0.027 0.000 1.917 84 A HA -0.239 4.090 4.320 0.016 0.000 0.219 84 A C 1.412 179.016 177.584 0.033 0.000 1.182 84 A CA 2.155 54.213 52.037 0.035 0.000 0.633 84 A CB -0.713 18.322 19.000 0.059 0.000 0.819 84 A HN 0.829 8.979 8.150 -0.000 0.000 0.448 85 H N -1.180 117.875 119.070 -0.025 0.000 2.556 85 H HA 0.226 4.791 4.556 0.015 0.000 0.268 85 H C 1.332 176.653 175.328 -0.011 0.000 0.996 85 H CA 1.077 57.109 56.048 -0.028 0.000 1.157 85 H CB -0.346 29.386 29.762 -0.050 0.000 1.355 85 H HN 0.490 8.770 8.280 -0.000 0.000 0.597 86 L N -0.196 120.790 121.223 -0.396 0.000 2.609 86 L HA 0.292 4.641 4.340 0.016 0.000 0.230 86 L C -0.185 176.617 176.870 -0.114 0.000 1.064 86 L CA 0.192 54.876 54.840 -0.260 0.000 0.873 86 L CB 0.522 42.407 42.059 -0.292 0.000 1.139 86 L HN 0.065 8.295 8.230 -0.000 0.000 0.490 87 E N -0.039 120.104 120.200 -0.095 0.000 2.383 87 E HA 0.208 4.567 4.350 0.016 0.000 0.275 87 E C -0.849 175.735 176.600 -0.026 0.000 0.918 87 E CA -0.701 55.663 56.400 -0.061 0.000 0.764 87 E CB 1.464 31.146 29.700 -0.029 0.000 1.252 87 E HN -0.080 8.280 8.360 -0.000 0.000 0.449 88 N N 1.882 120.569 118.700 -0.022 0.000 2.468 88 N HA -0.052 4.698 4.740 0.016 0.000 0.265 88 N C 0.205 175.758 175.510 0.072 0.000 1.199 88 N CA 0.560 53.616 53.050 0.009 0.000 0.928 88 N CB 0.737 39.217 38.487 -0.013 0.000 1.059 88 N HN 0.587 8.967 8.380 -0.000 0.000 0.467 89 E N 2.905 123.125 120.200 0.034 0.000 2.110 89 E HA -0.232 4.127 4.350 0.016 0.000 0.193 89 E C 1.007 177.630 176.600 0.038 0.000 0.988 89 E CA 1.169 57.590 56.400 0.035 0.000 0.804 89 E CB 0.052 29.762 29.700 0.016 0.000 0.745 89 E HN 0.636 8.996 8.360 -0.000 0.000 0.458 90 N N 0.095 118.803 118.700 0.013 0.000 2.188 90 N HA -0.156 4.593 4.740 0.016 0.000 0.184 90 N C 1.473 176.968 175.510 -0.024 0.000 1.018 90 N CA 0.618 53.654 53.050 -0.023 0.000 0.858 90 N CB -0.151 38.289 38.487 -0.079 0.000 0.989 90 N HN 0.081 8.461 8.380 -0.000 0.000 0.426 91 F N 0.595 120.467 119.950 -0.129 0.000 2.065 91 F HA -0.199 4.341 4.527 0.020 0.000 0.298 91 F C 1.978 177.814 175.800 0.060 0.000 1.112 91 F CA 1.339 59.293 58.000 -0.076 0.000 1.212 91 F CB -0.597 38.387 39.000 -0.028 0.000 0.975 91 F HN -0.115 8.185 8.300 -0.000 0.000 0.476 92 V N 0.726 120.677 119.914 0.061 0.000 2.295 92 V HA -0.301 3.829 4.120 0.016 0.000 0.246 92 V C 2.364 178.454 176.094 -0.007 0.000 1.049 92 V CA 2.281 64.560 62.300 -0.036 0.000 1.024 92 V CB -0.761 31.077 31.823 0.026 0.000 0.648 92 V HN 0.289 8.479 8.190 -0.000 0.000 0.447 93 K N 0.405 120.819 120.400 0.024 0.000 2.147 93 K HA -0.139 4.190 4.320 0.016 0.000 0.205 93 K C 1.846 178.493 176.600 0.078 0.000 1.049 93 K CA 1.878 58.198 56.287 0.055 0.000 0.936 93 K CB -0.308 32.217 32.500 0.042 0.000 0.722 93 K HN 0.696 8.946 8.250 -0.000 0.000 0.446 94 T N -2.461 112.122 114.554 0.047 0.000 3.134 94 T HA 0.083 4.442 4.350 0.016 0.000 0.260 94 T C 1.186 175.952 174.700 0.109 0.000 1.027 94 T CA -0.529 61.637 62.100 0.110 0.000 0.913 94 T CB -0.255 68.711 68.868 0.163 0.000 1.046 94 T HN 0.042 8.282 8.240 -0.000 0.000 0.553 95 F N 2.233 122.076 119.950 -0.178 0.000 2.063 95 F HA -0.163 4.370 4.527 0.010 0.000 0.298 95 F C 1.608 177.293 175.800 -0.193 0.000 1.109 95 F CA 1.488 59.290 58.000 -0.330 0.000 1.212 95 F CB -0.466 38.144 39.000 -0.650 0.000 0.973 95 F HN 0.243 8.543 8.300 -0.000 0.000 0.480 96 Y N -0.043 120.305 120.300 0.079 0.000 2.574 96 Y HA -0.162 4.400 4.550 0.020 0.000 0.294 96 Y C 2.041 177.874 175.900 -0.113 0.000 1.142 96 Y CA 0.986 59.075 58.100 -0.020 0.000 1.314 96 Y CB -0.451 38.042 38.460 0.055 0.000 0.991 96 Y HN 0.119 8.399 8.280 -0.000 0.000 0.555 97 D N -1.953 118.446 120.400 -0.003 0.000 2.327 97 D HA -0.072 4.577 4.640 0.016 0.000 0.205 97 D C 1.156 177.223 176.300 -0.389 0.000 0.989 97 D CA 0.958 54.875 54.000 -0.138 0.000 0.873 97 D CB -0.035 40.699 40.800 -0.110 0.000 0.955 97 D HN 0.369 8.739 8.370 -0.000 0.000 0.515 98 Y N -0.837 119.180 120.300 -0.472 0.000 2.503 98 Y HA 0.162 4.719 4.550 0.012 0.000 0.277 98 Y C 0.496 175.655 175.900 -1.235 0.000 1.102 98 Y CA 0.348 57.949 58.100 -0.831 0.000 1.261 98 Y CB 0.386 38.253 38.460 -0.989 0.000 1.096 98 Y HN -0.198 8.082 8.280 -0.000 0.000 0.546 99 F N -0.784 118.886 119.950 -0.467 0.000 2.622 99 F HA 0.384 4.918 4.527 0.012 0.000 0.338 99 F C -2.172 173.422 175.800 -0.342 0.000 1.334 99 F CA -2.365 55.280 58.000 -0.592 0.000 1.179 99 F CB 0.828 39.236 39.000 -0.986 0.000 1.471 99 F HN -0.157 8.143 8.300 -0.000 0.000 0.576 100 P HA -0.204 4.216 4.420 -0.000 0.000 0.216 100 P C 1.031 178.404 177.300 0.122 0.000 1.150 100 P CA 1.608 64.743 63.100 0.058 0.000 0.843 100 P CB 0.158 31.873 31.700 0.025 0.000 0.787 101 D N -1.866 118.637 120.400 0.172 0.000 2.328 101 D HA 0.174 4.823 4.640 0.016 0.000 0.221 101 D C 0.567 177.020 176.300 0.254 0.000 1.072 101 D CA -0.139 53.982 54.000 0.201 0.000 0.850 101 D CB -0.403 40.533 40.800 0.226 0.000 0.922 101 D HN 0.064 8.434 8.370 -0.000 0.000 0.516 102 A N -0.362 122.618 122.820 0.266 0.000 2.282 102 A HA 0.710 5.039 4.320 0.016 0.000 0.324 102 A C -0.987 176.787 177.584 0.316 0.000 1.119 102 A CA -0.663 51.603 52.037 0.382 0.000 0.880 102 A CB 0.902 20.209 19.000 0.512 0.000 1.294 102 A HN 0.256 8.406 8.150 -0.000 0.000 0.493 103 H N -1.350 117.990 119.070 0.450 0.000 2.821 103 H HA 0.541 5.105 4.556 0.013 0.000 0.373 103 H C -1.264 174.028 175.328 -0.060 0.000 1.165 103 H CA -0.612 55.676 56.048 0.399 0.000 1.154 103 H CB 1.394 31.461 29.762 0.508 0.000 1.765 103 H HN 0.410 8.690 8.280 -0.000 0.000 0.549 104 L N 2.179 123.343 121.223 -0.099 0.000 2.278 104 L HA 0.238 4.588 4.340 0.016 0.000 0.287 104 L C 1.569 178.477 176.870 0.064 0.000 1.072 104 L CA 0.462 55.050 54.840 -0.421 0.000 0.819 104 L CB 0.514 42.377 42.059 -0.326 0.000 1.176 104 L HN 1.014 9.244 8.230 -0.000 0.000 0.435 105 G N 3.496 112.357 108.800 0.101 0.000 2.475 105 G HA2 -0.347 3.623 3.960 0.016 0.000 0.220 105 G HA3 -0.347 3.623 3.960 0.016 0.000 0.220 105 G C 1.381 176.545 174.900 0.440 0.000 1.125 105 G CA 0.883 46.225 45.100 0.403 0.000 0.755 105 G HN 0.740 9.030 8.290 -0.000 0.000 0.565 106 Y N 1.308 121.703 120.300 0.158 0.000 2.315 106 Y HA -0.133 4.423 4.550 0.009 0.000 0.288 106 Y C 2.272 178.255 175.900 0.139 0.000 1.154 106 Y CA 1.320 59.501 58.100 0.136 0.000 1.229 106 Y CB 0.170 38.651 38.460 0.034 0.000 0.980 106 Y HN 0.172 8.452 8.280 -0.000 0.000 0.540 107 D N -0.397 120.022 120.400 0.032 0.000 2.263 107 D HA -0.165 4.485 4.640 0.016 0.000 0.208 107 D C 1.456 177.516 176.300 -0.400 0.000 0.971 107 D CA 1.384 55.255 54.000 -0.215 0.000 0.867 107 D CB -0.241 40.415 40.800 -0.240 0.000 0.929 107 D HN 0.423 8.793 8.370 -0.000 0.000 0.492 108 F N -1.148 118.829 119.950 0.045 0.000 2.383 108 F HA 0.099 4.643 4.527 0.028 0.000 0.287 108 F C 1.965 177.760 175.800 -0.008 0.000 1.069 108 F CA -0.298 57.714 58.000 0.020 0.000 1.402 108 F CB -0.380 38.650 39.000 0.050 0.000 1.116 108 F HN -0.180 8.120 8.300 -0.000 0.000 0.549 109 F N 2.622 122.576 119.950 0.007 0.000 2.126 109 F HA -0.225 4.310 4.527 0.012 0.000 0.299 109 F C 2.484 178.198 175.800 -0.142 0.000 1.096 109 F CA 1.801 59.744 58.000 -0.096 0.000 1.255 109 F CB -0.389 38.531 39.000 -0.133 0.000 0.997 109 F HN -0.094 8.206 8.300 -0.000 0.000 0.479 110 K N -0.500 119.805 120.400 -0.160 0.000 2.442 110 K HA -0.141 4.189 4.320 0.016 0.000 0.198 110 K C 1.443 177.978 176.600 -0.108 0.000 1.042 110 K CA 0.966 57.093 56.287 -0.267 0.000 0.958 110 K CB -0.410 31.709 32.500 -0.636 0.000 0.766 110 K HN 0.313 8.563 8.250 -0.000 0.000 0.474 111 Q N 0.966 120.713 119.800 -0.088 0.000 2.297 111 Q HA 0.048 4.397 4.340 0.016 0.000 0.204 111 Q C 0.756 176.736 176.000 -0.034 0.000 0.962 111 Q CA 0.733 56.510 55.803 -0.042 0.000 0.879 111 Q CB 0.022 28.749 28.738 -0.019 0.000 0.947 111 Q HN 0.428 8.698 8.270 -0.000 0.000 0.462 112 L N 1.845 123.011 121.223 -0.096 0.000 2.449 112 L HA 0.176 4.526 4.340 0.016 0.000 0.255 112 L C 1.313 178.264 176.870 0.135 0.000 1.167 112 L CA -0.255 54.548 54.840 -0.061 0.000 1.090 112 L CB 0.230 42.087 42.059 -0.337 0.000 1.385 112 L HN -0.026 8.204 8.230 -0.000 0.000 0.411 113 K N 0.341 120.847 120.400 0.175 0.000 2.059 113 K HA -0.206 4.123 4.320 0.016 0.000 0.212 113 K C 1.097 177.856 176.600 0.264 0.000 1.050 113 K CA 1.710 58.114 56.287 0.195 0.000 0.927 113 K CB 0.114 32.713 32.500 0.164 0.000 0.714 113 K HN 0.556 8.806 8.250 -0.000 0.000 0.447 114 D N 0.006 120.619 120.400 0.356 0.000 2.144 114 D HA -0.136 4.513 4.640 0.016 0.000 0.200 114 D C 1.736 178.307 176.300 0.450 0.000 0.978 114 D CA 0.890 55.140 54.000 0.416 0.000 0.833 114 D CB -0.163 40.908 40.800 0.451 0.000 0.961 114 D HN 0.094 8.464 8.370 -0.000 0.000 0.470 115 F N 1.927 122.090 119.950 0.354 0.000 2.259 115 F HA -0.080 4.455 4.527 0.014 0.000 0.298 115 F C 1.964 177.871 175.800 0.179 0.000 1.088 115 F CA 0.729 58.816 58.000 0.145 0.000 1.358 115 F CB -0.188 38.858 39.000 0.077 0.000 1.040 115 F HN -0.190 8.110 8.300 -0.000 0.000 0.505 116 N N 0.957 119.753 118.700 0.159 0.000 2.120 116 N HA -0.170 4.579 4.740 0.016 0.000 0.188 116 N C 1.907 177.634 175.510 0.361 0.000 1.024 116 N CA 1.708 54.981 53.050 0.372 0.000 0.852 116 N CB -0.554 38.175 38.487 0.403 0.000 1.003 116 N HN 0.333 8.713 8.380 -0.000 0.000 0.424 117 A N -0.416 122.561 122.820 0.261 0.000 1.877 117 A HA -0.166 4.164 4.320 0.016 0.000 0.216 117 A C 2.258 179.952 177.584 0.183 0.000 1.186 117 A CA 1.419 53.593 52.037 0.227 0.000 0.620 117 A CB -1.328 17.786 19.000 0.190 0.000 0.822 117 A HN 0.522 8.672 8.150 -0.000 0.000 0.443 118 Y N -0.612 119.635 120.300 -0.087 0.000 2.081 118 Y HA -0.288 4.270 4.550 0.014 0.000 0.280 118 Y C 2.072 177.944 175.900 -0.047 0.000 1.163 118 Y CA 2.384 60.359 58.100 -0.207 0.000 1.135 118 Y CB -0.603 37.361 38.460 -0.826 0.000 0.970 118 Y HN 0.369 8.649 8.280 -0.000 0.000 0.498 119 F N 1.089 120.969 119.950 -0.118 0.000 2.075 119 F HA -0.187 4.349 4.527 0.015 0.000 0.297 119 F C 2.135 177.963 175.800 0.046 0.000 1.113 119 F CA 1.947 59.915 58.000 -0.053 0.000 1.218 119 F CB -0.463 38.567 39.000 0.049 0.000 0.984 119 F HN -0.139 8.161 8.300 -0.000 0.000 0.472 120 K N 0.122 120.548 120.400 0.043 0.000 2.063 120 K HA -0.235 4.095 4.320 0.016 0.000 0.208 120 K C 2.185 178.766 176.600 -0.032 0.000 1.048 120 K CA 1.866 58.141 56.287 -0.020 0.000 0.928 120 K CB -1.382 31.266 32.500 0.247 0.000 0.713 120 K HN 0.435 8.685 8.250 -0.000 0.000 0.442 121 F N 1.331 121.257 119.950 -0.040 0.000 2.134 121 F HA -0.222 4.314 4.527 0.014 0.000 0.299 121 F C 2.185 177.966 175.800 -0.030 0.000 1.097 121 F CA 1.671 59.689 58.000 0.030 0.000 1.264 121 F CB -0.122 38.816 39.000 -0.103 0.000 1.001 121 F HN 0.167 8.467 8.300 -0.000 0.000 0.479 122 H N -0.688 118.262 119.070 -0.199 0.000 2.395 122 H HA -0.107 4.458 4.556 0.015 0.000 0.299 122 H C 2.227 177.380 175.328 -0.292 0.000 1.070 122 H CA 1.554 57.448 56.048 -0.256 0.000 1.356 122 H CB -0.228 29.313 29.762 -0.368 0.000 1.401 122 H HN 0.218 8.498 8.280 -0.000 0.000 0.524 123 E N 1.025 120.974 120.200 -0.418 0.000 2.015 123 E HA -0.122 4.237 4.350 0.016 0.000 0.191 123 E C 2.234 178.634 176.600 -0.333 0.000 0.991 123 E CA 0.955 57.071 56.400 -0.474 0.000 0.802 123 E CB -0.127 29.040 29.700 -0.889 0.000 0.759 123 E HN 0.431 8.791 8.360 -0.000 0.000 0.447 124 I N -0.150 120.202 120.570 -0.363 0.000 2.099 124 I HA -0.303 3.876 4.170 0.016 0.000 0.239 124 I C 2.274 178.036 176.117 -0.591 0.000 1.066 124 I CA 1.488 62.502 61.300 -0.476 0.000 1.324 124 I CB -0.440 37.226 38.000 -0.555 0.000 1.037 124 I HN 0.134 8.344 8.210 -0.000 0.000 0.401 125 Y N -1.280 118.686 120.300 -0.557 0.000 2.490 125 Y HA 0.032 4.591 4.550 0.015 0.000 0.285 125 Y C 1.501 176.807 175.900 -0.989 0.000 1.117 125 Y CA 0.590 58.203 58.100 -0.810 0.000 1.262 125 Y CB 0.046 37.815 38.460 -1.153 0.000 1.043 125 Y HN 0.031 8.311 8.280 -0.000 0.000 0.553 126 F N -1.333 118.437 119.950 -0.300 0.000 2.746 126 F HA 0.220 4.756 4.527 0.015 0.000 0.320 126 F C 0.620 176.309 175.800 -0.185 0.000 1.097 126 F CA -0.603 57.261 58.000 -0.228 0.000 1.195 126 F CB -0.035 38.825 39.000 -0.234 0.000 1.056 126 F HN -0.136 8.164 8.300 -0.000 0.000 0.562 127 N N 1.912 120.556 118.700 -0.093 0.000 2.735 127 N HA -0.250 4.500 4.740 0.016 0.000 0.248 127 N C -0.725 174.735 175.510 -0.083 0.000 1.083 127 N CA 0.528 53.515 53.050 -0.106 0.000 0.703 127 N CB -0.940 37.491 38.487 -0.093 0.000 1.005 127 N HN 0.481 8.861 8.380 -0.000 0.000 0.550 128 Q N 0.445 120.202 119.800 -0.072 0.000 2.368 128 Q HA 0.323 4.672 4.340 0.016 0.000 0.263 128 Q C -0.327 175.586 176.000 -0.145 0.000 1.009 128 Q CA -0.533 55.226 55.803 -0.072 0.000 0.818 128 Q CB 1.700 30.442 28.738 0.008 0.000 1.239 128 Q HN 0.237 8.507 8.270 -0.000 0.000 0.464 129 R N 3.315 123.696 120.500 -0.198 0.000 2.494 129 R HA 0.448 4.797 4.340 0.016 0.000 0.305 129 R C -0.180 176.160 176.300 0.067 0.000 0.959 129 R CA -0.629 55.394 56.100 -0.128 0.000 0.864 129 R CB 1.002 31.157 30.300 -0.241 0.000 1.159 129 R HN 0.728 8.998 8.270 -0.000 0.000 0.446 130 I N 0.918 121.740 120.570 0.420 0.000 2.779 130 I HA 0.264 4.443 4.170 0.016 0.000 0.285 130 I C 0.503 177.001 176.117 0.635 0.000 1.134 130 I CA -0.547 61.070 61.300 0.528 0.000 1.398 130 I CB 1.199 39.585 38.000 0.643 0.000 1.404 130 I HN 0.638 8.848 8.210 -0.000 0.000 0.587 131 T N 1.411 116.318 114.554 0.588 0.000 2.810 131 T HA 0.215 4.574 4.350 0.016 0.000 0.277 131 T C 1.044 175.956 174.700 0.353 0.000 0.973 131 T CA -0.300 62.075 62.100 0.457 0.000 0.949 131 T CB 1.311 70.379 68.868 0.333 0.000 1.075 131 T HN 0.685 8.925 8.240 -0.000 0.000 0.537 132 S N 0.420 116.257 115.700 0.229 0.000 2.400 132 S HA -0.007 4.473 4.470 0.016 0.000 0.232 132 S C 2.335 177.006 174.600 0.118 0.000 1.025 132 S CA 1.295 59.587 58.200 0.152 0.000 0.993 132 S CB -1.145 62.104 63.200 0.081 0.000 0.808 132 S HN 0.926 9.236 8.310 -0.000 0.000 0.478 133 G N 1.075 109.935 108.800 0.100 0.000 2.440 133 G HA2 -0.172 3.798 3.960 0.016 0.000 0.218 133 G HA3 -0.172 3.798 3.960 0.016 0.000 0.218 133 G C 1.401 176.347 174.900 0.077 0.000 1.154 133 G CA 1.165 46.288 45.100 0.039 0.000 0.767 133 G HN 0.460 8.750 8.290 -0.000 0.000 0.552 134 V N -0.415 119.613 119.914 0.190 0.000 2.488 134 V HA 0.058 4.187 4.120 0.016 0.000 0.246 134 V C 1.688 177.947 176.094 0.273 0.000 1.046 134 V CA 0.443 62.876 62.300 0.222 0.000 1.053 134 V CB -0.691 31.340 31.823 0.347 0.000 0.679 134 V HN 0.415 8.605 8.190 -0.000 0.000 0.458 138 A N 0.772 123.476 122.820 -0.193 0.000 1.930 138 A HA 0.011 4.341 4.320 0.016 0.000 0.217 138 A C 1.910 179.388 177.584 -0.176 0.000 1.175 138 A CA 2.411 54.251 52.037 -0.329 0.000 0.627 138 A CB -0.528 18.247 19.000 -0.375 0.000 0.815 138 A HN 0.414 8.564 8.150 -0.000 0.000 0.443 139 V N -0.194 119.715 119.914 -0.008 0.000 2.453 139 V HA -0.184 3.946 4.120 0.016 0.000 0.247 139 V C 3.027 179.234 176.094 0.188 0.000 1.048 139 V CA 1.670 64.058 62.300 0.146 0.000 1.049 139 V CB -1.157 30.882 31.823 0.360 0.000 0.672 139 V HN 0.599 8.789 8.190 -0.000 0.000 0.457 140 A N 0.269 123.220 122.820 0.219 0.000 1.883 140 A HA -0.197 4.132 4.320 0.016 0.000 0.217 140 A C 2.177 179.852 177.584 0.151 0.000 1.186 140 A CA 2.039 54.185 52.037 0.183 0.000 0.624 140 A CB -0.549 18.310 19.000 -0.234 0.000 0.822 140 A HN 0.507 8.657 8.150 -0.000 0.000 0.444 141 I N -0.305 120.246 120.570 -0.031 0.000 2.226 141 I HA -0.263 3.916 4.170 0.016 0.000 0.245 141 I C 2.915 178.964 176.117 -0.113 0.000 1.100 141 I CA 1.056 62.288 61.300 -0.113 0.000 1.374 141 I CB -0.405 37.438 38.000 -0.262 0.000 1.057 141 I HN 0.356 8.566 8.210 -0.000 0.000 0.413 142 A N 0.670 123.430 122.820 -0.100 0.000 2.019 142 A HA -0.105 4.224 4.320 0.016 0.000 0.219 142 A C 2.186 179.805 177.584 0.059 0.000 1.164 142 A CA 1.268 53.285 52.037 -0.032 0.000 0.644 142 A CB -0.663 18.363 19.000 0.043 0.000 0.805 142 A HN 0.438 8.588 8.150 -0.000 0.000 0.449 143 L N -1.697 119.561 121.223 0.059 0.000 2.591 143 L HA 0.200 4.549 4.340 0.016 0.000 0.228 143 L C 1.669 178.503 176.870 -0.061 0.000 1.133 143 L CA 0.606 55.462 54.840 0.028 0.000 0.880 143 L CB 0.067 42.171 42.059 0.076 0.000 1.033 143 L HN 0.584 8.814 8.230 -0.000 0.000 0.450 144 G N -1.771 106.975 108.800 -0.090 0.000 2.184 144 G HA2 -0.276 3.693 3.960 0.016 0.000 0.206 144 G HA3 -0.276 3.693 3.960 0.016 0.000 0.206 144 G C -0.011 174.563 174.900 -0.542 0.000 0.995 144 G CA -0.626 44.316 45.100 -0.264 0.000 0.651 144 G HN 0.165 8.455 8.290 -0.000 0.000 0.511 145 Y N 0.819 120.979 120.300 -0.233 0.000 2.411 145 Y HA 0.516 5.075 4.550 0.015 0.000 0.333 145 Y C 1.591 177.345 175.900 -0.244 0.000 1.186 145 Y CA 0.307 58.273 58.100 -0.222 0.000 1.381 145 Y CB 0.913 39.262 38.460 -0.185 0.000 1.273 145 Y HN -0.084 8.196 8.280 -0.000 0.000 0.546 146 K N 1.097 121.468 120.400 -0.047 0.000 2.464 146 K HA 0.161 4.491 4.320 0.016 0.000 0.206 146 K C -0.532 176.038 176.600 -0.051 0.000 1.186 146 K CA 0.296 56.536 56.287 -0.079 0.000 0.990 146 K CB 0.833 33.275 32.500 -0.096 0.000 1.003 146 K HN 0.718 8.968 8.250 -0.000 0.000 0.562 147 E N 1.407 121.618 120.200 0.017 0.000 2.182 147 E HA 0.406 4.765 4.350 0.016 0.000 0.258 147 E C -0.774 175.810 176.600 -0.028 0.000 0.879 147 E CA -0.256 56.143 56.400 -0.002 0.000 0.754 147 E CB 1.906 31.723 29.700 0.195 0.000 1.162 147 E HN -0.003 8.357 8.360 -0.000 0.000 0.419 148 I N 3.296 123.737 120.570 -0.215 0.000 2.389 148 I HA 0.298 4.477 4.170 0.016 0.000 0.288 148 I C -0.941 175.019 176.117 -0.262 0.000 0.999 148 I CA -0.890 60.294 61.300 -0.193 0.000 1.129 148 I CB 0.940 38.807 38.000 -0.221 0.000 1.288 148 I HN 0.440 8.650 8.210 -0.000 0.000 0.444 149 Y N 6.345 126.590 120.300 -0.092 0.000 2.331 149 Y HA 0.517 5.076 4.550 0.015 0.000 0.338 149 Y C -0.082 175.735 175.900 -0.138 0.000 0.976 149 Y CA -0.702 57.357 58.100 -0.068 0.000 1.137 149 Y CB 1.223 39.604 38.460 -0.132 0.000 1.172 149 Y HN 0.310 8.590 8.280 -0.000 0.000 0.478 150 L N 4.049 125.268 121.223 -0.006 0.000 2.325 150 L HA 0.706 5.055 4.340 0.016 0.000 0.279 150 L C -0.104 176.720 176.870 -0.077 0.000 1.054 150 L CA -0.466 54.339 54.840 -0.059 0.000 0.804 150 L CB 1.511 43.532 42.059 -0.064 0.000 1.200 150 L HN 0.732 8.962 8.230 -0.000 0.000 0.436 151 S N -0.402 115.234 115.700 -0.107 0.000 2.570 151 S HA 0.671 5.150 4.470 0.016 0.000 0.270 151 S C 0.264 174.780 174.600 -0.139 0.000 1.149 151 S CA -0.184 57.937 58.200 -0.132 0.000 0.837 151 S CB 1.708 64.821 63.200 -0.146 0.000 1.124 151 S HN 1.094 9.404 8.310 -0.000 0.000 0.465 152 G N 0.449 109.151 108.800 -0.163 0.000 2.203 152 G HA2 -0.217 3.753 3.960 0.016 0.000 0.263 152 G HA3 -0.217 3.753 3.960 0.016 0.000 0.263 152 G C -0.156 174.597 174.900 -0.245 0.000 1.012 152 G CA 0.533 45.527 45.100 -0.176 0.000 0.749 152 G HN 0.979 9.269 8.290 -0.000 0.000 0.512 153 I N 0.661 121.048 120.570 -0.306 0.000 2.371 153 I HA 0.301 4.481 4.170 0.016 0.000 0.282 153 I C -0.118 175.582 176.117 -0.695 0.000 1.031 153 I CA -0.554 60.459 61.300 -0.478 0.000 1.180 153 I CB 1.238 38.987 38.000 -0.417 0.000 1.336 153 I HN -0.057 8.153 8.210 -0.000 0.000 0.467 154 D N 5.793 125.772 120.400 -0.703 0.000 2.469 154 D HA 0.154 4.803 4.640 0.016 0.000 0.213 154 D C 0.365 176.437 176.300 -0.380 0.000 1.135 154 D CA 0.130 53.806 54.000 -0.539 0.000 0.834 154 D CB 0.604 41.205 40.800 -0.333 0.000 1.009 154 D HN 0.507 8.877 8.370 -0.000 0.000 0.507 155 F N 0.122 119.993 119.950 -0.132 0.000 3.074 155 F HA -0.290 4.245 4.527 0.015 0.000 0.289 155 F C -0.631 175.238 175.800 0.115 0.000 0.863 155 F CA -0.313 57.705 58.000 0.030 0.000 1.121 155 F CB -2.839 36.204 39.000 0.071 0.000 1.169 155 F HN -0.038 8.262 8.300 -0.000 0.000 0.570 156 Y N -1.196 119.097 120.300 -0.012 0.000 2.971 156 Y HA -0.263 4.296 4.550 0.015 0.000 0.174 156 Y C 1.350 177.242 175.900 -0.014 0.000 1.576 156 Y CA 0.716 58.774 58.100 -0.069 0.000 0.872 156 Y CB -1.195 37.231 38.460 -0.056 0.000 1.396 156 Y HN 0.409 8.689 8.280 -0.000 0.000 0.377 157 Q N 0.651 120.472 119.800 0.034 0.000 2.482 157 Q HA -0.060 4.290 4.340 0.016 0.000 0.209 157 Q C 1.263 177.282 176.000 0.031 0.000 0.961 157 Q CA 1.048 56.880 55.803 0.047 0.000 0.945 157 Q CB -0.000 28.748 28.738 0.017 0.000 1.012 157 Q HN 0.884 9.154 8.270 -0.000 0.000 0.515 158 N N -1.297 117.417 118.700 0.025 0.000 1.771 158 N HA -0.277 4.472 4.740 0.016 0.000 0.215 158 N C 1.255 176.764 175.510 -0.002 0.000 0.901 158 N CA 2.113 55.175 53.050 0.020 0.000 4.070 158 N CB -1.829 36.678 38.487 0.033 0.000 0.698 158 N HN 0.430 8.810 8.380 -0.000 0.000 0.274 159 G N -0.581 108.217 108.800 -0.003 0.000 2.597 159 G HA2 -0.166 3.804 3.960 0.016 0.000 0.222 159 G HA3 -0.166 3.804 3.960 0.016 0.000 0.222 159 G C 0.431 175.318 174.900 -0.021 0.000 1.135 159 G CA 1.639 46.734 45.100 -0.009 0.000 0.759 159 G HN 0.742 9.032 8.290 -0.000 0.000 0.595 160 S N -2.193 113.477 115.700 -0.050 0.000 2.614 160 S HA 0.512 4.992 4.470 0.016 0.000 0.275 160 S C 0.597 175.111 174.600 -0.144 0.000 1.161 160 S CA 0.287 58.444 58.200 -0.072 0.000 0.969 160 S CB 1.657 64.810 63.200 -0.078 0.000 1.059 160 S HN 0.099 8.409 8.310 -0.000 0.000 0.482 161 S N 3.125 118.736 115.700 -0.148 0.000 2.377 161 S HA 0.302 4.781 4.470 0.016 0.000 0.223 161 S C -0.313 173.847 174.600 -0.734 0.000 1.030 161 S CA 0.973 58.970 58.200 -0.337 0.000 0.970 161 S CB -0.043 63.066 63.200 -0.152 0.000 0.830 161 S HN 0.721 9.031 8.310 -0.000 0.000 0.473 162 Y N -1.985 118.160 120.300 -0.258 0.000 2.669 162 Y HA 0.633 5.192 4.550 0.015 0.000 0.335 162 Y C 0.616 176.210 175.900 -0.511 0.000 1.116 162 Y CA -0.646 57.151 58.100 -0.504 0.000 1.081 162 Y CB 1.076 39.057 38.460 -0.798 0.000 1.297 162 Y HN -0.086 8.194 8.280 -0.000 0.000 0.484 163 A N 0.597 123.116 122.820 -0.502 0.000 2.259 163 A HA 0.340 4.669 4.320 0.016 0.000 0.208 163 A C -0.474 177.083 177.584 -0.045 0.000 1.201 163 A CA 0.514 52.399 52.037 -0.253 0.000 0.824 163 A CB -1.177 17.730 19.000 -0.156 0.000 0.838 163 A HN 0.533 8.683 8.150 -0.000 0.000 0.485 164 F N -3.885 116.174 119.950 0.181 0.000 2.779 164 F HA 0.569 5.105 4.527 0.015 0.000 0.316 164 F C -0.985 174.926 175.800 0.184 0.000 1.164 164 F CA -1.846 56.265 58.000 0.185 0.000 0.924 164 F CB 0.485 39.620 39.000 0.225 0.000 1.348 164 F HN -0.164 8.136 8.300 -0.000 0.000 0.467 165 D N 0.870 121.538 120.400 0.446 0.000 2.317 165 D HA 0.243 4.892 4.640 0.016 0.000 0.252 165 D C 0.736 177.281 176.300 0.408 0.000 1.174 165 D CA 0.162 54.343 54.000 0.303 0.000 0.866 165 D CB 1.498 42.401 40.800 0.172 0.000 1.127 165 D HN 0.741 9.111 8.370 -0.000 0.000 0.467 166 T N 0.671 115.443 114.554 0.364 0.000 3.105 166 T HA 0.122 4.481 4.350 0.016 0.000 0.253 166 T C 1.032 175.882 174.700 0.249 0.000 1.047 166 T CA -0.433 61.901 62.100 0.390 0.000 0.944 166 T CB 0.009 68.984 68.868 0.178 0.000 1.016 166 T HN 0.058 8.298 8.240 -0.000 0.000 0.544 167 K N 2.232 122.731 120.400 0.165 0.000 3.233 167 K HA 0.266 4.596 4.320 0.016 0.000 0.283 167 K C -0.115 176.521 176.600 0.060 0.000 1.209 167 K CA -0.005 56.343 56.287 0.102 0.000 1.197 167 K CB -0.490 32.056 32.500 0.077 0.000 1.431 167 K HN 0.251 8.501 8.250 -0.000 0.000 0.326 168 Q N 0.935 120.783 119.800 0.081 0.000 2.241 168 Q HA 0.189 4.538 4.340 0.016 0.000 0.254 168 Q C 0.672 176.692 176.000 0.034 0.000 0.917 168 Q CA -0.310 55.499 55.803 0.011 0.000 0.919 168 Q CB 1.342 30.061 28.738 -0.032 0.000 1.237 168 Q HN -0.007 8.263 8.270 -0.000 0.000 0.434 169 K N 1.938 122.338 120.400 -0.000 0.000 1.988 169 K HA -0.208 4.122 4.320 0.016 0.000 0.221 169 K C 1.102 177.720 176.600 0.030 0.000 1.053 169 K CA 1.741 58.034 56.287 0.010 0.000 0.959 169 K CB -0.272 32.222 32.500 -0.009 0.000 0.728 169 K HN 0.555 8.805 8.250 -0.000 0.000 0.447 170 N N 1.127 119.846 118.700 0.033 0.000 2.120 170 N HA -0.158 4.592 4.740 0.016 0.000 0.188 170 N C 1.872 177.430 175.510 0.080 0.000 1.024 170 N CA 0.751 53.834 53.050 0.055 0.000 0.852 170 N CB -0.515 38.006 38.487 0.057 0.000 1.003 170 N HN 0.056 8.436 8.380 -0.000 0.000 0.424 171 L N 1.463 122.753 121.223 0.111 0.000 2.012 171 L HA -0.061 4.288 4.340 0.016 0.000 0.210 171 L C 2.077 178.996 176.870 0.082 0.000 1.073 171 L CA 1.308 56.218 54.840 0.116 0.000 0.748 171 L CB -0.753 41.414 42.059 0.180 0.000 0.891 171 L HN 0.118 8.348 8.230 -0.000 0.000 0.431 172 L N -0.704 120.566 121.223 0.078 0.000 2.079 172 L HA -0.277 4.073 4.340 0.016 0.000 0.210 172 L C 2.549 179.449 176.870 0.049 0.000 1.081 172 L CA 1.607 56.484 54.840 0.061 0.000 0.752 172 L CB -0.670 41.422 42.059 0.055 0.000 0.896 172 L HN 0.284 8.514 8.230 -0.000 0.000 0.433 173 K N -0.074 120.354 120.400 0.046 0.000 2.152 173 K HA -0.101 4.228 4.320 0.016 0.000 0.206 173 K C 0.164 176.786 176.600 0.038 0.000 1.048 173 K CA 0.915 57.224 56.287 0.036 0.000 0.933 173 K CB -0.125 32.394 32.500 0.032 0.000 0.721 173 K HN 0.200 8.450 8.250 -0.000 0.000 0.447 189 S N -0.397 115.436 115.700 0.221 0.000 2.615 189 S HA 0.321 4.801 4.470 0.016 0.000 0.269 189 S C 0.494 175.126 174.600 0.053 0.000 1.161 189 S CA -0.865 57.411 58.200 0.128 0.000 0.817 189 S CB 2.421 65.643 63.200 0.036 0.000 1.131 189 S HN 0.732 9.042 8.310 -0.000 0.000 0.467 190 K N 0.954 121.280 120.400 -0.123 0.000 2.002 190 K HA -0.157 4.172 4.320 0.016 0.000 0.209 190 K C 1.764 177.990 176.600 -0.623 0.000 1.048 190 K CA 1.660 57.553 56.287 -0.657 0.000 0.930 190 K CB -0.569 31.588 32.500 -0.572 0.000 0.714 190 K HN 0.677 8.927 8.250 -0.000 0.000 0.438 191 N N -0.150 118.337 118.700 -0.355 0.000 2.223 191 N HA -0.124 4.625 4.740 0.016 0.000 0.185 191 N C 1.320 176.727 175.510 -0.173 0.000 1.016 191 N CA 1.553 54.432 53.050 -0.285 0.000 0.863 191 N CB 0.010 38.396 38.487 -0.168 0.000 0.983 191 N HN 0.203 8.583 8.380 -0.000 0.000 0.429 192 T N 0.799 115.299 114.554 -0.089 0.000 2.737 192 T HA -0.092 4.267 4.350 0.016 0.000 0.265 192 T C 1.099 175.839 174.700 0.066 0.000 1.038 192 T CA 1.155 63.250 62.100 -0.008 0.000 1.144 192 T CB -0.257 68.631 68.868 0.033 0.000 0.866 192 T HN 0.239 8.479 8.240 -0.000 0.000 0.434 193 D N 0.846 121.297 120.400 0.085 0.000 2.097 193 D HA -0.005 4.645 4.640 0.016 0.000 0.197 193 D C 2.159 178.514 176.300 0.093 0.000 0.984 193 D CA 0.537 54.656 54.000 0.199 0.000 0.826 193 D CB -0.265 40.785 40.800 0.417 0.000 0.973 193 D HN 0.210 8.580 8.370 -0.000 0.000 0.460 194 I N 1.083 121.576 120.570 -0.129 0.000 2.179 194 I HA -0.209 3.970 4.170 0.016 0.000 0.242 194 I C 2.108 178.168 176.117 -0.096 0.000 1.088 194 I CA 1.126 62.302 61.300 -0.206 0.000 1.357 194 I CB -0.682 36.944 38.000 -0.624 0.000 1.051 194 I HN 0.003 8.213 8.210 -0.000 0.000 0.409 195 K N 0.896 121.257 120.400 -0.065 0.000 2.148 195 K HA -0.035 4.294 4.320 0.016 0.000 0.204 195 K C 2.145 178.781 176.600 0.060 0.000 1.050 195 K CA 1.294 57.597 56.287 0.028 0.000 0.942 195 K CB -0.386 32.162 32.500 0.079 0.000 0.724 195 K HN 0.313 8.563 8.250 -0.000 0.000 0.446 196 A N 1.239 124.119 122.820 0.100 0.000 1.898 196 A HA -0.075 4.255 4.320 0.016 0.000 0.216 196 A C 2.304 179.941 177.584 0.089 0.000 1.181 196 A CA 1.007 53.122 52.037 0.130 0.000 0.620 196 A CB -0.532 18.717 19.000 0.415 0.000 0.819 196 A HN 0.167 8.317 8.150 -0.000 0.000 0.442 197 L N -0.721 120.537 121.223 0.058 0.000 2.093 197 L HA -0.179 4.171 4.340 0.016 0.000 0.208 197 L C 2.657 179.512 176.870 -0.024 0.000 1.085 197 L CA 1.687 56.523 54.840 -0.007 0.000 0.755 197 L CB -0.451 41.618 42.059 0.017 0.000 0.904 197 L HN 0.609 8.839 8.230 -0.000 0.000 0.435 198 E N 0.347 120.546 120.200 -0.002 0.000 2.051 198 E HA -0.285 4.074 4.350 0.016 0.000 0.192 198 E C 2.202 178.791 176.600 -0.019 0.000 0.991 198 E CA 1.419 57.811 56.400 -0.015 0.000 0.799 198 E CB -0.153 29.548 29.700 0.002 0.000 0.748 198 E HN 0.364 8.724 8.360 -0.000 0.000 0.449 199 F N 0.880 120.735 119.950 -0.159 0.000 2.126 199 F HA -0.211 4.325 4.527 0.015 0.000 0.299 199 F C 1.984 177.691 175.800 -0.155 0.000 1.096 199 F CA 0.981 58.865 58.000 -0.192 0.000 1.255 199 F CB -0.194 38.555 39.000 -0.419 0.000 0.997 199 F HN 0.104 8.404 8.300 -0.000 0.000 0.479 200 L N 0.727 122.013 121.223 0.106 0.000 2.017 200 L HA -0.194 4.156 4.340 0.016 0.000 0.208 200 L C 2.488 179.342 176.870 -0.027 0.000 1.073 200 L CA 2.101 56.956 54.840 0.024 0.000 0.745 200 L CB -1.300 40.625 42.059 -0.224 0.000 0.894 200 L HN 0.313 8.543 8.230 -0.000 0.000 0.432 201 E N -0.591 119.554 120.200 -0.091 0.000 2.051 201 E HA -0.245 4.114 4.350 0.016 0.000 0.192 201 E C 2.063 178.574 176.600 -0.148 0.000 0.991 201 E CA 1.361 57.691 56.400 -0.117 0.000 0.799 201 E CB 0.054 29.678 29.700 -0.126 0.000 0.748 201 E HN 0.417 8.777 8.360 -0.000 0.000 0.449 202 K N -0.574 119.711 120.400 -0.192 0.000 2.217 202 K HA -0.026 4.303 4.320 0.016 0.000 0.202 202 K C 2.065 178.459 176.600 -0.344 0.000 1.051 202 K CA 1.402 57.547 56.287 -0.238 0.000 0.952 202 K CB 0.140 32.499 32.500 -0.235 0.000 0.736 202 K HN 0.114 8.364 8.250 -0.000 0.000 0.453 203 T N -0.162 114.091 114.554 -0.502 0.000 2.894 203 T HA -0.041 4.319 4.350 0.016 0.000 0.258 203 T C 0.910 175.162 174.700 -0.745 0.000 1.043 203 T CA 0.972 62.623 62.100 -0.747 0.000 1.141 203 T CB -0.063 68.117 68.868 -1.147 0.000 0.873 203 T HN 0.173 8.413 8.240 -0.000 0.000 0.449 204 Y N 0.985 121.191 120.300 -0.157 0.000 2.507 204 Y HA 0.404 4.963 4.550 0.016 0.000 0.254 204 Y C 0.508 176.343 175.900 -0.108 0.000 1.171 204 Y CA -0.955 57.078 58.100 -0.111 0.000 1.238 204 Y CB -0.221 38.177 38.460 -0.104 0.000 1.148 204 Y HN 0.010 8.290 8.280 -0.000 0.000 0.525 205 K N 0.900 121.264 120.400 -0.059 0.000 3.451 205 K HA -0.211 4.118 4.320 0.016 0.000 0.273 205 K C -0.666 175.901 176.600 -0.054 0.000 0.944 205 K CA 0.630 56.878 56.287 -0.065 0.000 0.734 205 K CB -2.125 30.342 32.500 -0.055 0.000 1.437 205 K HN 0.430 8.680 8.250 -0.000 0.000 0.454 206 I N -3.068 117.458 120.570 -0.073 0.000 3.133 206 I HA 0.646 4.825 4.170 0.016 0.000 0.311 206 I C -0.407 175.607 176.117 -0.171 0.000 1.072 206 I CA -1.126 60.111 61.300 -0.104 0.000 1.015 206 I CB 1.285 39.226 38.000 -0.098 0.000 1.233 206 I HN -0.086 8.124 8.210 -0.000 0.000 0.473 207 K N 1.848 122.104 120.400 -0.241 0.000 2.292 207 K HA 0.723 5.053 4.320 0.016 0.000 0.257 207 K C -1.662 174.595 176.600 -0.571 0.000 0.940 207 K CA -0.407 55.630 56.287 -0.417 0.000 0.811 207 K CB 1.149 33.348 32.500 -0.501 0.000 1.120 207 K HN 0.753 9.003 8.250 -0.000 0.000 0.428 208 L N 4.967 125.847 121.223 -0.571 0.000 2.317 208 L HA 0.522 4.871 4.340 0.016 0.000 0.281 208 L C -0.866 175.635 176.870 -0.616 0.000 1.024 208 L CA -1.031 53.517 54.840 -0.486 0.000 0.810 208 L CB 0.848 42.753 42.059 -0.257 0.000 1.240 208 L HN 0.584 8.814 8.230 -0.000 0.000 0.427 209 Y N 1.053 121.162 120.300 -0.320 0.000 2.536 209 Y HA 0.450 5.010 4.550 0.016 0.000 0.347 209 Y C -0.112 175.697 175.900 -0.152 0.000 1.000 209 Y CA -0.881 57.056 58.100 -0.272 0.000 1.051 209 Y CB 1.989 40.160 38.460 -0.481 0.000 1.259 209 Y HN 0.508 8.788 8.280 -0.000 0.000 0.468 210 C N 3.992 123.354 119.300 0.103 0.000 2.351 210 C HA 0.564 5.033 4.460 0.016 0.000 0.326 210 C C 0.723 175.731 174.990 0.031 0.000 1.272 210 C CA -0.496 58.547 59.018 0.042 0.000 1.650 210 C CB -0.741 27.018 27.740 0.031 0.000 2.257 210 C HN 0.984 9.214 8.230 -0.000 0.000 0.505 211 L N 3.677 124.888 121.223 -0.020 0.000 2.640 211 L HA 0.242 4.591 4.340 0.016 0.000 0.230 211 L C 0.188 176.982 176.870 -0.127 0.000 1.123 211 L CA 0.232 55.023 54.840 -0.082 0.000 0.900 211 L CB 0.073 42.044 42.059 -0.148 0.000 1.146 211 L HN 0.678 8.908 8.230 -0.000 0.000 0.484 212 C N 1.070 120.310 119.300 -0.100 0.000 2.362 212 C HA 0.289 4.758 4.460 0.016 0.000 0.309 212 C C -0.808 174.142 174.990 -0.067 0.000 1.110 212 C CA -1.253 57.701 59.018 -0.107 0.000 1.485 212 C CB 0.681 28.346 27.740 -0.125 0.000 1.949 212 C HN 0.131 8.361 8.230 -0.000 0.000 0.419 213 P HA -0.129 4.291 4.420 -0.000 0.000 0.222 213 P C 0.614 177.893 177.300 -0.036 0.000 1.147 213 P CA 1.453 64.530 63.100 -0.039 0.000 0.790 213 P CB 0.235 31.915 31.700 -0.034 0.000 0.780 214 N N -0.330 118.345 118.700 -0.043 0.000 2.412 214 N HA 0.002 4.751 4.740 0.016 0.000 0.184 214 N C 0.666 176.156 175.510 -0.033 0.000 1.101 214 N CA -0.191 52.838 53.050 -0.036 0.000 0.881 214 N CB 0.072 38.536 38.487 -0.038 0.000 0.969 214 N HN 0.207 8.587 8.380 -0.000 0.000 0.459 215 S N 0.141 115.819 115.700 -0.037 0.000 2.632 215 S HA 0.132 4.611 4.470 0.016 0.000 0.267 215 S C 1.001 175.621 174.600 0.034 0.000 1.276 215 S CA -0.737 57.447 58.200 -0.026 0.000 0.998 215 S CB 1.379 64.540 63.200 -0.065 0.000 0.953 215 S HN 0.029 8.339 8.310 -0.000 0.000 0.547 216 L N 1.074 122.360 121.223 0.105 0.000 2.201 216 L HA 0.128 4.478 4.340 0.016 0.000 0.212 216 L C 1.989 179.080 176.870 0.369 0.000 1.105 216 L CA 1.340 56.320 54.840 0.233 0.000 0.775 216 L CB -1.208 41.093 42.059 0.402 0.000 0.913 216 L HN 0.836 9.066 8.230 -0.000 0.000 0.440 217 L N 0.127 121.563 121.223 0.356 0.000 2.127 217 L HA -0.083 4.266 4.340 0.016 0.000 0.211 217 L C 2.382 179.398 176.870 0.243 0.000 1.089 217 L CA 1.889 56.976 54.840 0.411 0.000 0.757 217 L CB -0.956 41.194 42.059 0.150 0.000 0.899 217 L HN 0.284 8.514 8.230 -0.000 0.000 0.434 218 A N -0.877 122.003 122.820 0.101 0.000 2.172 218 A HA -0.196 4.134 4.320 0.016 0.000 0.216 218 A C 2.039 179.596 177.584 -0.045 0.000 1.154 218 A CA 1.443 53.495 52.037 0.025 0.000 0.701 218 A CB -0.893 18.103 19.000 -0.007 0.000 0.789 218 A HN 0.615 8.765 8.150 -0.000 0.000 0.465 219 N N -1.834 116.781 118.700 -0.141 0.000 2.463 219 N HA 0.082 4.831 4.740 0.016 0.000 0.181 219 N C 0.777 175.925 175.510 -0.602 0.000 1.078 219 N CA 0.978 53.772 53.050 -0.428 0.000 0.902 219 N CB -0.106 37.978 38.487 -0.671 0.000 0.970 219 N HN 0.411 8.791 8.380 -0.000 0.000 0.451 220 F N -0.079 119.892 119.950 0.034 0.000 2.592 220 F HA 0.369 4.906 4.527 0.016 0.000 0.280 220 F C 0.746 176.552 175.800 0.009 0.000 1.083 220 F CA -0.438 57.573 58.000 0.019 0.000 1.365 220 F CB 0.122 39.137 39.000 0.025 0.000 1.100 220 F HN -0.094 8.206 8.300 -0.000 0.000 0.633 221 I N -1.016 119.662 120.570 0.179 0.000 2.530 221 I HA 0.802 4.981 4.170 0.016 0.000 0.297 221 I C 0.420 176.565 176.117 0.047 0.000 1.011 221 I CA -1.180 60.169 61.300 0.082 0.000 1.107 221 I CB 1.472 39.504 38.000 0.053 0.000 1.285 221 I HN 0.045 8.255 8.210 -0.000 0.000 0.436 222 G N 5.270 114.087 108.800 0.028 0.000 2.484 222 G HA2 0.332 4.302 3.960 0.016 0.000 0.235 222 G HA3 0.332 4.302 3.960 0.016 0.000 0.235 222 G C -0.330 174.626 174.900 0.093 0.000 1.282 222 G CA -0.466 44.665 45.100 0.051 0.000 0.857 222 G HN 0.503 8.793 8.290 -0.000 0.000 0.571 223 L N 1.197 122.464 121.223 0.073 0.000 2.417 223 L HA 0.454 4.803 4.340 0.016 0.000 0.268 223 L C 1.231 178.150 176.870 0.082 0.000 1.158 223 L CA -0.021 54.857 54.840 0.063 0.000 0.819 223 L CB 0.814 42.883 42.059 0.018 0.000 1.112 223 L HN 0.700 8.930 8.230 -0.000 0.000 0.458 224 A N 5.128 127.970 122.820 0.038 0.000 2.445 224 A HA 0.472 4.801 4.320 0.016 0.000 0.242 224 A C -2.100 175.405 177.584 -0.131 0.000 1.075 224 A CA -0.937 51.011 52.037 -0.148 0.000 0.777 224 A CB -0.771 18.230 19.000 0.002 0.000 1.013 224 A HN 0.601 8.751 8.150 -0.000 0.000 0.493 225 P HA -0.008 4.412 4.420 -0.000 0.000 0.270 225 P C -0.616 176.641 177.300 -0.071 0.000 1.227 225 P CA -0.288 62.750 63.100 -0.105 0.000 0.788 225 P CB 0.428 32.061 31.700 -0.113 0.000 0.926 226 N N 1.480 120.156 118.700 -0.040 0.000 3.303 226 N HA 0.097 4.846 4.740 0.016 0.000 0.304 226 N C 1.263 176.763 175.510 -0.017 0.000 1.302 226 N CA -0.079 52.956 53.050 -0.024 0.000 1.213 226 N CB -0.267 38.214 38.487 -0.010 0.000 1.481 226 N HN 0.378 8.758 8.380 -0.000 0.000 0.546 227 L N 0.157 121.363 121.223 -0.027 0.000 2.191 227 L HA -0.101 4.248 4.340 0.016 0.000 0.212 227 L C 0.360 177.233 176.870 0.004 0.000 1.103 227 L CA 0.241 55.073 54.840 -0.014 0.000 0.769 227 L CB -0.582 41.463 42.059 -0.024 0.000 0.908 227 L HN 0.430 8.660 8.230 -0.000 0.000 0.438 228 N N 0.320 119.026 118.700 0.009 0.000 2.889 228 N HA -0.180 4.570 4.740 0.016 0.000 0.286 228 N C -0.359 175.182 175.510 0.050 0.000 1.721 228 N CA 0.716 53.787 53.050 0.034 0.000 1.506 228 N CB 0.046 38.551 38.487 0.031 0.000 0.882 228 N HN 0.385 8.765 8.380 -0.000 0.000 0.501 229 S N 2.308 118.058 115.700 0.083 0.000 2.677 229 S HA 0.523 5.002 4.470 0.016 0.000 0.304 229 S C -0.010 174.671 174.600 0.136 0.000 1.108 229 S CA -0.981 57.286 58.200 0.112 0.000 0.944 229 S CB 1.842 65.135 63.200 0.154 0.000 1.127 229 S HN 0.586 8.896 8.310 -0.000 0.000 0.511 230 N N 0.726 119.502 118.700 0.127 0.000 2.920 230 N HA 0.220 4.969 4.740 0.016 0.000 0.310 230 N C -1.250 174.330 175.510 0.117 0.000 1.384 230 N CA -0.382 52.726 53.050 0.096 0.000 1.083 230 N CB -0.411 38.102 38.487 0.044 0.000 1.389 230 N HN 0.606 8.986 8.380 -0.000 0.000 0.521 231 F N 1.278 121.243 119.950 0.026 0.000 2.471 231 F HA 0.343 4.880 4.527 0.016 0.000 0.353 231 F C 0.248 175.999 175.800 -0.082 0.000 1.113 231 F CA -0.187 57.819 58.000 0.010 0.000 1.262 231 F CB 0.599 39.654 39.000 0.092 0.000 1.146 231 F HN 0.052 8.352 8.300 -0.000 0.000 0.578 232 I N 6.926 127.052 120.570 -0.740 0.000 2.378 232 I HA 0.238 4.418 4.170 0.016 0.000 0.291 232 I C -0.887 174.844 176.117 -0.643 0.000 0.992 232 I CA -0.854 60.131 61.300 -0.525 0.000 1.154 232 I CB 1.518 39.294 38.000 -0.373 0.000 1.315 232 I HN 0.311 8.521 8.210 -0.000 0.000 0.448 233 I N 6.079 126.441 120.570 -0.346 0.000 2.301 233 I HA 0.172 4.351 4.170 0.016 0.000 0.292 233 I C 0.313 176.339 176.117 -0.152 0.000 1.046 233 I CA 0.071 61.249 61.300 -0.203 0.000 1.282 233 I CB 0.826 38.733 38.000 -0.154 0.000 1.409 233 I HN 0.562 8.772 8.210 -0.000 0.000 0.484 234 Q N 5.841 125.584 119.800 -0.094 0.000 2.261 234 Q HA 0.305 4.655 4.340 0.016 0.000 0.252 234 Q C -0.498 175.481 176.000 -0.036 0.000 0.915 234 Q CA -0.575 55.207 55.803 -0.036 0.000 0.915 234 Q CB 1.081 29.831 28.738 0.019 0.000 1.204 234 Q HN 0.555 8.825 8.270 -0.000 0.000 0.421 235 E N 2.480 122.633 120.200 -0.079 0.000 2.349 235 E HA 0.195 4.554 4.350 0.016 0.000 0.262 235 E C -0.844 175.653 176.600 -0.172 0.000 1.088 235 E CA -0.172 56.138 56.400 -0.150 0.000 0.899 235 E CB 1.080 30.720 29.700 -0.100 0.000 1.044 235 E HN 0.385 8.745 8.360 -0.000 0.000 0.420 236 K N 1.794 121.996 120.400 -0.330 0.000 2.156 236 K HA 0.427 4.756 4.320 0.016 0.000 0.250 236 K C -0.659 175.860 176.600 -0.134 0.000 0.955 236 K CA -0.869 55.196 56.287 -0.371 0.000 0.855 236 K CB 1.115 33.077 32.500 -0.896 0.000 1.101 236 K HN 0.395 8.645 8.250 -0.000 0.000 0.434 237 N N 1.691 120.416 118.700 0.041 0.000 2.287 237 N HA 0.155 4.904 4.740 0.016 0.000 0.289 237 N C -1.086 174.536 175.510 0.186 0.000 1.066 237 N CA -0.858 52.271 53.050 0.132 0.000 0.841 237 N CB 1.461 39.981 38.487 0.054 0.000 1.599 237 N HN 0.550 8.930 8.380 -0.000 0.000 0.476 238 N N -0.244 118.547 118.700 0.153 0.000 2.708 238 N HA -0.246 4.503 4.740 0.016 0.000 0.251 238 N C -0.892 174.657 175.510 0.066 0.000 1.017 238 N CA 0.908 53.984 53.050 0.044 0.000 0.742 238 N CB -1.632 36.871 38.487 0.026 0.000 0.943 238 N HN 0.598 8.978 8.380 -0.000 0.000 0.539 239 Y N -2.739 117.543 120.300 -0.031 0.000 2.326 239 Y HA 0.612 5.171 4.550 0.015 0.000 0.324 239 Y C 0.865 176.766 175.900 0.002 0.000 1.291 239 Y CA -1.300 56.794 58.100 -0.010 0.000 1.348 239 Y CB 0.395 38.829 38.460 -0.043 0.000 1.294 239 Y HN -0.044 8.236 8.280 -0.000 0.000 0.525 240 T N 3.094 117.716 114.554 0.112 0.000 2.779 240 T HA 0.206 4.566 4.350 0.016 0.000 0.296 240 T C 0.240 174.926 174.700 -0.024 0.000 0.938 240 T CA -0.519 61.604 62.100 0.039 0.000 1.119 240 T CB -0.086 68.900 68.868 0.196 0.000 0.891 240 T HN 0.780 9.020 8.240 -0.000 0.000 0.526 241 K N 1.367 121.568 120.400 -0.332 0.000 2.619 241 K HA 0.393 4.722 4.320 0.016 0.000 0.201 241 K C -0.682 175.286 176.600 -1.052 0.000 1.090 241 K CA -0.608 55.279 56.287 -0.668 0.000 1.063 241 K CB 0.709 32.730 32.500 -0.799 0.000 0.810 241 K HN 0.340 8.590 8.250 -0.000 0.000 0.506 242 D N 0.897 121.037 120.400 -0.434 0.000 2.655 242 D HA 0.308 4.958 4.640 0.016 0.000 0.229 242 D C -1.248 175.189 176.300 0.227 0.000 1.229 242 D CA -0.686 53.206 54.000 -0.181 0.000 0.807 242 D CB 2.182 42.883 40.800 -0.166 0.000 1.514 242 D HN 0.147 8.517 8.370 -0.000 0.000 0.444 243 I N 2.133 122.903 120.570 0.334 0.000 2.638 243 I HA 0.249 4.428 4.170 0.016 0.000 0.286 243 I C -0.320 175.850 176.117 0.089 0.000 1.088 243 I CA -0.395 61.057 61.300 0.252 0.000 1.397 243 I CB 0.438 38.559 38.000 0.200 0.000 1.414 243 I HN 0.313 8.523 8.210 -0.000 0.000 0.566 244 L N 7.060 128.294 121.223 0.019 0.000 2.357 244 L HA 0.392 4.741 4.340 0.016 0.000 0.273 244 L C -0.510 176.450 176.870 0.149 0.000 1.080 244 L CA -0.843 54.012 54.840 0.025 0.000 0.803 244 L CB 1.312 43.296 42.059 -0.126 0.000 1.174 244 L HN 0.423 8.653 8.230 -0.000 0.000 0.443 245 I N 3.505 124.172 120.570 0.163 0.000 2.330 245 I HA 0.324 4.503 4.170 0.016 0.000 0.289 245 I C -1.842 174.326 176.117 0.085 0.000 1.001 245 I CA -2.217 59.177 61.300 0.156 0.000 1.193 245 I CB 0.893 38.989 38.000 0.160 0.000 1.345 245 I HN 0.338 8.548 8.210 -0.000 0.000 0.461 246 P HA 0.101 4.521 4.420 -0.000 0.000 0.272 246 P C 0.061 177.314 177.300 -0.079 0.000 1.240 246 P CA -0.214 62.507 63.100 -0.631 0.000 0.791 246 P CB 0.538 31.529 31.700 -1.183 0.000 0.978 247 S N -0.138 115.512 115.700 -0.083 0.000 2.576 247 S HA 0.012 4.492 4.470 0.016 0.000 0.272 247 S C 1.550 176.286 174.600 0.228 0.000 1.352 247 S CA 0.208 58.456 58.200 0.081 0.000 1.021 247 S CB -0.146 63.079 63.200 0.043 0.000 0.887 247 S HN 0.559 8.869 8.310 -0.000 0.000 0.542 248 S N 0.732 116.551 115.700 0.199 0.000 2.399 248 S HA -0.141 4.338 4.470 0.016 0.000 0.231 248 S C 1.429 176.148 174.600 0.198 0.000 1.022 248 S CA 1.149 59.478 58.200 0.214 0.000 0.983 248 S CB -0.750 62.513 63.200 0.104 0.000 0.803 248 S HN 0.777 9.087 8.310 -0.000 0.000 0.480 249 E N 2.238 122.520 120.200 0.135 0.000 2.051 249 E HA 0.081 4.441 4.350 0.016 0.000 0.192 249 E C 2.380 179.061 176.600 0.134 0.000 0.991 249 E CA 1.357 57.822 56.400 0.109 0.000 0.799 249 E CB -0.883 28.862 29.700 0.074 0.000 0.748 249 E HN 0.638 8.998 8.360 -0.000 0.000 0.449 250 A N -0.203 122.696 122.820 0.132 0.000 1.883 250 A HA -0.225 4.104 4.320 0.016 0.000 0.217 250 A C 2.044 179.766 177.584 0.230 0.000 1.186 250 A CA 1.600 53.734 52.037 0.162 0.000 0.624 250 A CB -1.063 17.962 19.000 0.043 0.000 0.822 250 A HN 0.342 8.492 8.150 -0.000 0.000 0.444 251 Y N 0.218 120.656 120.300 0.229 0.000 2.207 251 Y HA -0.132 4.428 4.550 0.016 0.000 0.287 251 Y C 2.765 178.691 175.900 0.044 0.000 1.156 251 Y CA 1.163 59.336 58.100 0.122 0.000 1.182 251 Y CB -0.810 37.726 38.460 0.128 0.000 0.979 251 Y HN 0.342 8.622 8.280 -0.000 0.000 0.521 252 G N -0.453 108.476 108.800 0.216 0.000 2.432 252 G HA2 -0.234 3.735 3.960 0.016 0.000 0.219 252 G HA3 -0.234 3.735 3.960 0.016 0.000 0.219 252 G C 1.641 176.596 174.900 0.091 0.000 1.135 252 G CA 0.872 46.046 45.100 0.122 0.000 0.767 252 G HN 0.334 8.624 8.290 -0.000 0.000 0.550 253 K N -0.948 119.522 120.400 0.116 0.000 2.228 253 K HA 0.136 4.465 4.320 0.016 0.000 0.202 253 K C 1.649 178.333 176.600 0.141 0.000 1.051 253 K CA 0.368 56.732 56.287 0.128 0.000 0.960 253 K CB -0.041 32.553 32.500 0.158 0.000 0.743 253 K HN 0.373 8.623 8.250 -0.000 0.000 0.458 254 F N 1.295 121.153 119.950 -0.154 0.000 2.727 254 F HA -0.028 4.508 4.527 0.014 0.000 0.302 254 F C 2.009 177.639 175.800 -0.283 0.000 1.097 254 F CA -0.112 57.674 58.000 -0.357 0.000 1.330 254 F CB 0.239 38.698 39.000 -0.902 0.000 1.084 254 F HN -0.027 8.273 8.300 -0.000 0.000 0.578 255 S N 1.092 116.721 115.700 -0.118 0.000 2.365 255 S HA -0.313 4.167 4.470 0.016 0.000 0.225 255 S C 2.228 176.706 174.600 -0.203 0.000 1.039 255 S CA 1.558 59.693 58.200 -0.108 0.000 1.033 255 S CB -0.669 62.514 63.200 -0.029 0.000 0.887 255 S HN 0.504 8.814 8.310 -0.000 0.000 0.447 256 K N 2.129 122.396 120.400 -0.223 0.000 2.218 256 K HA -0.098 4.231 4.320 0.016 0.000 0.205 256 K C 0.664 177.079 176.600 -0.309 0.000 1.046 256 K CA 1.406 57.563 56.287 -0.216 0.000 0.933 256 K CB -0.936 31.461 32.500 -0.172 0.000 0.728 256 K HN 0.450 8.700 8.250 -0.000 0.000 0.454 257 N N 1.329 119.684 118.700 -0.574 0.000 2.313 257 N HA 0.196 4.945 4.740 0.016 0.000 0.207 257 N C 0.411 175.669 175.510 -0.419 0.000 1.141 257 N CA -0.068 52.618 53.050 -0.607 0.000 0.830 257 N CB -0.114 37.653 38.487 -1.199 0.000 1.008 257 N HN 0.242 8.622 8.380 -0.000 0.000 0.481 258 I N 0.000 120.399 120.570 -0.286 0.000 2.984 258 I HA 0.000 4.179 4.170 0.016 0.000 0.288 258 I CA 0.000 61.226 61.300 -0.124 0.000 1.566 258 I CB 0.000 37.951 38.000 -0.082 0.000 1.214 258 I HN 0.000 8.210 8.210 -0.000 0.000 0.494