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 1pjz_1_A DATA FIRST_RESID 1 DATA SEQUENCE HQSEVNKDLQ QYWSSLNVVP GARVLVPLCG KSQDMSWLSG QGYHVVGAEL DATA SEQUENCE SEAAVERYFT ERGEQPHITS QGDFKVYAAP GIEIWCGDFF ALTARDIGHC DATA SEQUENCE AAFYDRAAMI ALPADMRERY VQHLEALMPQ ACSGLLITLE YDQALLEGPP DATA SEQUENCE FSVPQTWLHR VMSGNWEVTK VGGQDTLHSS ARGLKAGLER MDEHVYVLER DATA SEQUENCE V VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 H HA 0.000 4.542 4.556 -0.023 0.000 0.296 1 H C 0.000 175.341 175.328 0.022 0.000 0.993 1 H CA 0.000 56.042 56.048 -0.010 0.000 1.023 1 H CB 0.000 29.746 29.762 -0.026 0.000 1.292 2 Q N 1.130 120.997 119.800 0.112 0.000 2.459 2 Q HA -0.265 4.184 4.340 0.182 0.000 0.314 2 Q C -0.212 175.838 176.000 0.084 0.000 1.432 2 Q CA -0.004 55.895 55.803 0.160 0.000 0.823 2 Q CB -0.633 28.269 28.738 0.274 0.000 1.124 2 Q HN 0.290 8.584 8.270 0.040 0.000 0.392 3 S N -0.615 115.107 115.700 0.036 0.000 2.335 3 S HA -0.176 4.306 4.470 0.020 0.000 0.217 3 S C 0.296 174.845 174.600 -0.086 0.000 1.032 3 S CA 1.681 59.876 58.200 -0.009 0.000 0.985 3 S CB 0.556 63.747 63.200 -0.016 0.000 0.896 3 S HN 0.073 8.402 8.310 0.032 0.000 0.445 4 E N -1.192 118.934 120.200 -0.124 0.000 2.923 4 E HA 0.068 4.312 4.350 -0.177 0.000 0.266 4 E C -1.989 174.527 176.600 -0.141 0.000 1.157 4 E CA -0.433 55.853 56.400 -0.189 0.000 0.795 4 E CB -0.562 28.930 29.700 -0.348 0.000 1.454 4 E HN -0.128 8.178 8.360 -0.090 0.000 0.386 5 V N 2.559 122.392 119.914 -0.135 0.000 2.383 5 V HA 0.200 4.213 4.120 -0.178 0.000 0.261 5 V C -1.754 174.195 176.094 -0.241 0.000 0.987 5 V CA -1.290 60.894 62.300 -0.194 0.000 0.853 5 V CB 0.792 32.498 31.823 -0.195 0.000 1.095 5 V HN -0.122 7.997 8.190 -0.118 0.000 0.461 6 N N 6.998 125.605 118.700 -0.155 0.000 2.609 6 N HA -0.481 4.213 4.740 -0.077 0.000 0.304 6 N C 0.441 175.875 175.510 -0.126 0.000 1.284 6 N CA 1.556 54.542 53.050 -0.106 0.000 0.702 6 N CB -0.665 37.803 38.487 -0.031 0.000 1.002 6 N HN 0.362 8.668 8.380 -0.123 0.000 0.535 7 K N 3.873 124.223 120.400 -0.082 0.000 2.107 7 K HA -0.505 3.773 4.320 -0.070 0.000 0.211 7 K C 0.627 177.214 176.600 -0.022 0.000 1.049 7 K CA 3.634 59.889 56.287 -0.054 0.000 0.927 7 K CB -0.054 32.430 32.500 -0.027 0.000 0.714 7 K HN -0.304 7.902 8.250 -0.072 0.000 0.452 8 D N -3.203 117.210 120.400 0.021 0.000 2.097 8 D HA -0.272 4.499 4.640 0.219 0.000 0.195 8 D C 1.968 178.366 176.300 0.164 0.000 0.989 8 D CA 2.927 57.024 54.000 0.162 0.000 0.827 8 D CB -1.432 39.444 40.800 0.126 0.000 0.966 8 D HN 0.144 8.510 8.370 -0.003 0.003 0.456 9 L N 1.028 122.243 121.223 -0.013 0.000 1.956 9 L HA -0.393 3.993 4.340 0.077 0.000 0.216 9 L C 1.548 178.211 176.870 -0.346 0.000 1.073 9 L CA 3.122 57.885 54.840 -0.129 0.000 0.762 9 L CB -0.743 41.131 42.059 -0.308 0.000 0.889 9 L HN -0.466 7.660 8.230 -0.040 0.080 0.433 10 Q N -3.065 116.379 119.800 -0.594 0.000 2.234 10 Q HA -0.412 3.017 4.340 -1.517 0.000 0.206 10 Q C 2.627 178.546 176.000 -0.135 0.000 0.980 10 Q CA 2.655 58.049 55.803 -0.682 0.000 0.869 10 Q CB -0.983 27.511 28.738 -0.407 0.000 0.912 10 Q HN -0.001 7.962 8.270 -0.511 0.000 0.436 11 Q N 1.187 120.970 119.800 -0.029 0.000 1.922 11 Q HA -0.286 4.077 4.340 0.039 0.000 0.201 11 Q C 2.213 178.261 176.000 0.081 0.000 0.979 11 Q CA 2.862 58.690 55.803 0.040 0.000 0.841 11 Q CB -0.313 28.441 28.738 0.028 0.000 0.903 11 Q HN -0.147 7.860 8.270 -0.040 0.239 0.431 12 Y N -0.575 119.729 120.300 0.007 0.000 2.062 12 Y HA -0.504 4.043 4.550 -0.006 0.000 0.276 12 Y C 2.106 178.016 175.900 0.017 0.000 1.189 12 Y CA 3.986 62.089 58.100 0.004 0.000 1.130 12 Y CB -0.296 38.161 38.460 -0.004 0.000 0.959 12 Y HN 0.345 8.785 8.280 0.441 0.104 0.499 13 W N -3.303 118.018 121.300 0.035 0.000 2.332 13 W HA -0.488 4.212 4.660 0.066 0.000 0.321 13 W C 2.337 178.938 176.519 0.137 0.000 1.219 13 W CA 5.006 62.359 57.345 0.013 0.000 1.277 13 W CB -0.420 28.883 29.460 -0.262 0.000 1.161 13 W HN 0.503 8.928 8.180 0.409 0.000 0.476 14 S N -2.067 113.859 115.700 0.376 0.000 2.413 14 S HA -0.420 4.325 4.470 0.458 0.000 0.237 14 S C 1.733 176.451 174.600 0.197 0.000 1.044 14 S CA 2.986 61.385 58.200 0.331 0.000 1.024 14 S CB -0.341 63.007 63.200 0.247 0.000 0.829 14 S HN -0.353 7.996 8.310 0.272 0.124 0.475 15 S N 0.565 116.338 115.700 0.122 0.000 2.355 15 S HA -0.122 4.384 4.470 0.059 0.000 0.216 15 S C 1.680 176.309 174.600 0.049 0.000 1.037 15 S CA 2.049 60.281 58.200 0.053 0.000 0.955 15 S CB 0.582 63.768 63.200 -0.024 0.000 0.877 15 S HN -0.406 7.840 8.310 0.115 0.134 0.488 16 L N 1.253 122.491 121.223 0.024 0.000 1.997 16 L HA -0.323 4.000 4.340 -0.028 0.000 0.227 16 L C 0.910 177.791 176.870 0.018 0.000 1.087 16 L CA 2.321 57.142 54.840 -0.032 0.000 0.797 16 L CB -0.219 41.727 42.059 -0.190 0.000 0.902 16 L HN 0.573 8.683 8.230 0.029 0.137 0.441 17 N N -2.984 115.769 118.700 0.088 0.000 2.814 17 N HA -0.349 4.551 4.740 0.267 0.000 0.247 17 N C -0.849 174.762 175.510 0.168 0.000 1.089 17 N CA 0.298 53.451 53.050 0.171 0.000 0.682 17 N CB -1.480 37.083 38.487 0.126 0.000 0.970 17 N HN -0.011 8.442 8.380 0.123 0.000 0.554 18 V N -3.136 116.866 119.914 0.147 0.000 3.549 18 V HA -0.225 3.931 4.120 0.060 0.000 0.300 18 V C 0.300 176.569 176.094 0.292 0.000 1.154 18 V CA 0.639 63.046 62.300 0.178 0.000 1.268 18 V CB 0.750 32.646 31.823 0.121 0.000 1.054 18 V HN -0.230 7.977 8.190 0.029 0.000 0.501 19 V N 1.546 121.553 119.914 0.156 0.000 2.788 19 V HA -0.054 4.095 4.120 0.048 0.000 0.307 19 V C -1.426 174.574 176.094 -0.156 0.000 1.069 19 V CA -0.824 61.498 62.300 0.036 0.000 1.173 19 V CB 0.571 32.401 31.823 0.013 0.000 0.925 19 V HN 0.068 8.337 8.190 0.131 0.000 0.492 20 P HA 0.068 4.191 4.420 -0.495 0.000 0.273 20 P C -0.722 176.391 177.300 -0.312 0.000 1.428 20 P CA 0.145 63.076 63.100 -0.281 0.000 0.995 20 P CB -1.223 30.432 31.700 -0.075 0.000 1.286 21 G N 3.656 112.110 108.800 -0.576 0.000 2.205 21 G HA2 -0.297 3.666 3.960 -0.127 0.000 0.180 21 G HA3 -0.297 3.633 3.960 -0.051 0.000 0.180 21 G C -0.823 174.048 174.900 -0.048 0.000 1.004 21 G CA -0.399 44.587 45.100 -0.191 0.000 0.670 21 G HN -0.190 7.317 8.290 -1.305 0.000 0.496 22 A N 1.005 123.704 122.820 -0.202 0.000 2.536 22 A HA -0.280 4.083 4.320 0.072 0.000 0.234 22 A C -0.618 177.132 177.584 0.276 0.000 1.076 22 A CA 0.642 52.731 52.037 0.087 0.000 0.769 22 A CB 0.739 19.860 19.000 0.201 0.000 1.020 22 A HN -0.376 7.358 8.150 -0.526 0.100 0.508 23 R N -0.366 120.287 120.500 0.256 0.000 2.242 23 R HA 0.056 4.588 4.340 0.321 0.000 0.334 23 R C -1.012 175.523 176.300 0.392 0.000 1.071 23 R CA -1.104 55.167 56.100 0.286 0.000 0.922 23 R CB -0.328 30.079 30.300 0.179 0.000 1.023 23 R HN -0.115 8.274 8.270 0.199 0.000 0.458 24 V N 6.586 126.766 119.914 0.443 0.000 2.333 24 V HA 0.604 5.232 4.120 0.521 -0.195 0.274 24 V C -1.337 174.975 176.094 0.364 0.000 1.028 24 V CA -0.772 61.803 62.300 0.457 0.000 0.851 24 V CB 0.708 32.799 31.823 0.445 0.000 1.000 24 V HN 0.860 9.186 8.190 0.438 0.126 0.456 25 L N 8.912 130.376 121.223 0.400 0.000 2.379 25 L HA 0.915 5.718 4.340 0.306 -0.280 0.269 25 L C -2.026 175.058 176.870 0.357 0.000 1.084 25 L CA -1.532 53.520 54.840 0.354 0.000 0.802 25 L CB 2.789 45.036 42.059 0.314 0.000 1.175 25 L HN 0.619 9.036 8.230 0.478 0.100 0.448 26 V N 4.208 124.271 119.914 0.249 0.000 2.383 26 V HA 0.558 4.981 4.120 0.242 -0.158 0.264 26 V C -2.548 173.543 176.094 -0.005 0.000 1.001 26 V CA -4.606 57.793 62.300 0.164 0.000 0.828 26 V CB 1.596 33.485 31.823 0.109 0.000 1.069 26 V HN -0.142 8.188 8.190 0.234 0.000 0.451 27 P HA 0.354 4.222 4.420 -0.920 0.000 0.276 27 P C -0.653 176.361 177.300 -0.478 0.000 1.264 27 P CA -0.396 62.365 63.100 -0.565 0.000 0.769 27 P CB -0.190 31.219 31.700 -0.485 0.000 0.840 28 L N -4.103 116.761 121.223 -0.598 0.000 4.071 28 L HA -0.428 3.867 4.340 -0.241 -0.099 0.471 28 L C -0.838 175.946 176.870 -0.143 0.000 1.096 28 L CA 0.364 55.032 54.840 -0.286 0.000 0.865 28 L CB -3.698 38.248 42.059 -0.188 0.000 1.802 28 L HN 0.564 8.311 8.230 -0.804 0.000 0.946 29 C N -4.422 114.813 119.300 -0.107 0.000 3.270 29 C HA 0.112 4.553 4.460 -0.031 0.000 0.369 29 C C 0.479 175.490 174.990 0.035 0.000 1.326 29 C CA -2.313 56.700 59.018 -0.007 0.000 1.846 29 C CB 1.767 29.544 27.740 0.062 0.000 2.534 29 C HN -0.683 7.452 8.230 -0.136 0.013 0.649 30 G N 1.537 110.327 108.800 -0.017 0.000 2.502 30 G HA2 -0.443 3.519 3.960 0.003 0.000 0.280 30 G HA3 -0.443 3.564 3.960 -0.041 -0.072 0.280 30 G C -1.060 173.850 174.900 0.017 0.000 0.611 30 G CA 1.603 46.698 45.100 -0.009 0.000 1.103 30 G HN -0.573 7.673 8.290 -0.073 0.000 0.271 31 K N 5.334 125.750 120.400 0.027 0.000 2.446 31 K HA 0.134 4.469 4.320 0.024 0.000 0.238 31 K C -0.408 176.209 176.600 0.028 0.000 1.193 31 K CA -0.079 56.223 56.287 0.024 0.000 0.782 31 K CB 1.128 33.645 32.500 0.027 0.000 1.506 31 K HN 0.273 8.533 8.250 0.017 0.000 0.417 32 S N -4.075 111.620 115.700 -0.009 0.000 5.944 32 S HA -0.105 4.368 4.470 0.004 0.000 0.077 32 S C 0.991 175.562 174.600 -0.049 0.000 1.175 32 S CA 0.990 59.186 58.200 -0.006 0.000 1.315 32 S CB -0.813 62.404 63.200 0.027 0.000 1.413 32 S HN 0.234 8.517 8.310 -0.044 0.000 0.458 33 Q N 1.234 120.993 119.800 -0.068 0.000 2.049 33 Q HA -0.270 4.035 4.340 -0.058 0.000 0.198 33 Q C 1.522 177.434 176.000 -0.147 0.000 0.971 33 Q CA 3.672 59.423 55.803 -0.087 0.000 0.833 33 Q CB -0.338 28.345 28.738 -0.091 0.000 0.896 33 Q HN 0.294 8.529 8.270 -0.058 0.000 0.434 34 D N -1.063 119.173 120.400 -0.273 0.000 2.103 34 D HA -0.348 3.891 4.640 -0.668 0.000 0.190 34 D C 1.386 177.467 176.300 -0.364 0.000 0.997 34 D CA 3.365 57.033 54.000 -0.554 0.000 0.833 34 D CB -0.572 39.686 40.800 -0.903 0.000 0.961 34 D HN 0.226 8.461 8.370 -0.226 0.000 0.447 35 M N -2.457 117.007 119.600 -0.227 0.000 2.086 35 M HA -0.218 4.165 4.480 -0.161 0.000 0.261 35 M C 2.023 178.261 176.300 -0.104 0.000 1.067 35 M CA 3.454 58.672 55.300 -0.138 0.000 1.116 35 M CB -0.632 31.925 32.600 -0.071 0.000 1.348 35 M HN -0.503 7.676 8.290 -0.185 0.000 0.407 36 S N 2.025 117.672 115.700 -0.087 0.000 2.420 36 S HA -0.307 4.108 4.470 -0.090 0.000 0.237 36 S C 2.337 176.878 174.600 -0.099 0.000 1.023 36 S CA 3.245 61.393 58.200 -0.086 0.000 0.991 36 S CB -0.315 62.841 63.200 -0.074 0.000 0.792 36 S HN 0.183 8.320 8.310 -0.086 0.121 0.488 37 W N 2.641 123.770 121.300 -0.284 0.000 2.452 37 W HA -0.280 4.227 4.660 -0.254 0.000 0.313 37 W C 1.262 177.567 176.519 -0.357 0.000 1.176 37 W CA 4.080 61.234 57.345 -0.318 0.000 1.350 37 W CB 0.238 29.468 29.460 -0.383 0.000 1.148 37 W HN -0.002 7.953 8.180 0.009 0.230 0.498 38 L N -2.037 119.176 121.223 -0.018 0.000 1.997 38 L HA -0.600 3.538 4.340 -0.336 0.000 0.216 38 L C 2.493 179.258 176.870 -0.175 0.000 1.074 38 L CA 2.962 57.664 54.840 -0.230 0.000 0.763 38 L CB -1.196 40.680 42.059 -0.305 0.000 0.890 38 L HN -0.100 8.106 8.230 -0.041 0.000 0.434 39 S N -1.904 113.726 115.700 -0.118 0.000 2.353 39 S HA -0.353 4.105 4.470 -0.021 0.000 0.222 39 S C 2.565 177.077 174.600 -0.147 0.000 1.035 39 S CA 2.590 60.738 58.200 -0.086 0.000 1.025 39 S CB -0.372 62.779 63.200 -0.082 0.000 0.902 39 S HN 0.412 8.655 8.310 -0.111 0.000 0.440 40 G N -0.417 108.235 108.800 -0.246 0.000 2.499 40 G HA2 -0.261 3.554 3.960 -0.242 0.000 0.221 40 G HA3 -0.261 3.456 3.960 -0.405 0.000 0.221 40 G C 0.527 175.225 174.900 -0.338 0.000 1.109 40 G CA 1.685 46.596 45.100 -0.316 0.000 0.749 40 G HN -0.156 7.814 8.290 -0.246 0.171 0.568 41 Q N 0.606 120.182 119.800 -0.373 0.000 2.297 41 Q HA 0.056 4.214 4.340 -0.303 0.000 0.203 41 Q C 0.007 176.036 176.000 0.048 0.000 0.931 41 Q CA -0.391 55.256 55.803 -0.261 0.000 0.885 41 Q CB 1.132 29.601 28.738 -0.448 0.000 0.991 41 Q HN -0.331 7.523 8.270 -0.383 0.186 0.498 42 G N -1.579 107.291 108.800 0.117 0.000 3.035 42 G HA2 -0.317 3.688 3.960 0.019 0.000 0.214 42 G HA3 -0.317 3.674 3.960 0.051 0.000 0.214 42 G C -1.994 173.025 174.900 0.197 0.000 1.063 42 G CA -0.320 44.844 45.100 0.107 0.000 1.109 42 G HN -0.419 7.785 8.290 0.053 0.118 0.563 43 Y N -2.251 118.041 120.300 -0.013 0.000 2.605 43 Y HA 0.115 4.748 4.550 0.137 0.000 0.343 43 Y C -0.862 175.057 175.900 0.032 0.000 1.036 43 Y CA -1.642 56.508 58.100 0.084 0.000 1.065 43 Y CB 3.912 42.467 38.460 0.159 0.000 1.288 43 Y HN -0.923 7.501 8.280 0.241 0.000 0.481 44 H N 2.709 121.915 119.070 0.226 0.000 3.118 44 H HA 0.070 4.698 4.556 0.119 0.000 0.266 44 H C -0.877 174.568 175.328 0.194 0.000 1.465 44 H CA 0.471 56.617 56.048 0.163 0.000 1.460 44 H CB -0.620 29.218 29.762 0.126 0.000 1.661 44 H HN 0.358 8.907 8.280 0.448 0.000 0.516 45 V N 7.903 127.933 119.914 0.193 0.000 2.370 45 V HA -0.098 4.304 4.120 0.202 -0.160 0.257 45 V C -1.867 174.333 176.094 0.175 0.000 1.064 45 V CA 0.908 63.306 62.300 0.164 0.000 0.975 45 V CB -0.057 31.810 31.823 0.072 0.000 1.067 45 V HN 0.028 8.278 8.190 0.100 0.000 0.485 46 V N 8.459 128.509 119.914 0.228 0.000 2.447 46 V HA 0.727 5.079 4.120 0.250 -0.082 0.292 46 V C -2.274 174.007 176.094 0.312 0.000 1.021 46 V CA -2.340 60.120 62.300 0.265 0.000 0.850 46 V CB 2.821 34.800 31.823 0.260 0.000 1.005 46 V HN 0.846 9.186 8.190 0.251 0.000 0.426 47 G N 6.928 115.913 108.800 0.307 0.000 2.682 47 G HA2 0.694 4.850 3.960 0.326 0.000 0.303 47 G HA3 0.694 4.792 3.960 0.084 -0.088 0.303 47 G C -3.284 171.459 174.900 -0.263 0.000 1.341 47 G CA -0.480 44.731 45.100 0.185 0.000 0.784 47 G HN 0.384 8.744 8.290 0.286 0.101 0.497 48 A N -3.218 119.211 122.820 -0.652 0.000 2.423 48 A HA 0.653 4.351 4.320 -1.388 -0.210 0.304 48 A C -2.590 174.680 177.584 -0.524 0.000 1.104 48 A CA -1.769 49.525 52.037 -1.238 0.000 0.757 48 A CB 3.653 21.274 19.000 -2.298 0.000 1.313 48 A HN 0.301 8.221 8.150 -0.384 0.000 0.423 49 E N 0.097 120.077 120.200 -0.367 0.000 2.121 49 E HA 0.361 4.618 4.350 -0.156 0.000 0.255 49 E C -1.024 175.512 176.600 -0.107 0.000 0.906 49 E CA -1.790 54.515 56.400 -0.158 0.000 0.745 49 E CB 1.815 31.488 29.700 -0.044 0.000 1.155 49 E HN 0.023 8.064 8.360 -0.379 0.092 0.424 50 L N 6.007 127.169 121.223 -0.102 0.000 2.983 50 L HA 0.087 4.640 4.340 -0.043 -0.240 0.244 50 L C -0.605 176.259 176.870 -0.011 0.000 1.465 50 L CA -0.593 54.221 54.840 -0.043 0.000 1.147 50 L CB -2.257 39.792 42.059 -0.016 0.000 1.442 50 L HN 0.460 8.613 8.230 -0.129 0.000 0.452 51 S N 0.534 116.233 115.700 -0.001 0.000 2.680 51 S HA 0.224 4.700 4.470 0.010 0.000 0.262 51 S C -0.447 174.154 174.600 0.002 0.000 1.138 51 S CA -0.397 57.798 58.200 -0.008 0.000 1.072 51 S CB 2.064 65.231 63.200 -0.056 0.000 1.097 51 S HN 0.351 8.610 8.310 0.005 0.053 0.468 52 E N 8.287 128.511 120.200 0.040 0.000 2.016 52 E HA -0.278 4.113 4.350 0.069 0.000 0.190 52 E C 1.507 178.071 176.600 -0.059 0.000 0.985 52 E CA 4.025 60.449 56.400 0.039 0.000 0.802 52 E CB 0.122 29.876 29.700 0.091 0.000 0.762 52 E HN 0.557 8.954 8.360 0.062 0.000 0.448 53 A N -1.936 120.851 122.820 -0.055 0.000 1.997 53 A HA -0.244 4.026 4.320 -0.084 0.000 0.221 53 A C 1.997 179.477 177.584 -0.173 0.000 1.172 53 A CA 2.779 54.761 52.037 -0.092 0.000 0.645 53 A CB -0.961 18.002 19.000 -0.062 0.000 0.813 53 A HN 0.285 8.422 8.150 -0.023 0.000 0.454 54 A N -1.211 121.493 122.820 -0.193 0.000 1.845 54 A HA -0.263 3.846 4.320 -0.352 0.000 0.215 54 A C 1.852 179.169 177.584 -0.445 0.000 1.195 54 A CA 2.992 54.832 52.037 -0.329 0.000 0.616 54 A CB -0.884 17.947 19.000 -0.281 0.000 0.832 54 A HN -0.548 7.419 8.150 -0.135 0.102 0.443 55 V N -2.639 117.075 119.914 -0.334 0.000 2.317 55 V HA -0.558 3.490 4.120 -0.119 0.000 0.251 55 V C 1.454 176.799 176.094 -1.248 0.000 1.065 55 V CA 3.468 65.437 62.300 -0.551 0.000 1.049 55 V CB -1.338 30.286 31.823 -0.331 0.000 0.651 55 V HN -0.499 7.571 8.190 -0.200 0.000 0.450 56 E N 0.127 119.896 120.200 -0.718 0.000 2.077 56 E HA -0.450 3.573 4.350 -0.545 0.000 0.193 56 E C 2.259 178.710 176.600 -0.249 0.000 0.989 56 E CA 3.381 59.512 56.400 -0.449 0.000 0.800 56 E CB -0.554 29.043 29.700 -0.172 0.000 0.746 56 E HN -0.078 7.943 8.360 -0.441 0.075 0.452 57 R N -0.292 120.065 120.500 -0.238 0.000 2.120 57 R HA -0.265 4.038 4.340 -0.063 0.000 0.234 57 R C 2.551 178.861 176.300 0.016 0.000 1.123 57 R CA 2.516 58.540 56.100 -0.128 0.000 0.975 57 R CB -1.069 29.110 30.300 -0.201 0.000 0.866 57 R HN -0.083 7.916 8.270 -0.296 0.093 0.446 58 Y N -0.306 119.948 120.300 -0.076 0.000 2.337 58 Y HA -0.174 4.431 4.550 0.092 0.000 0.293 58 Y C 2.385 178.385 175.900 0.167 0.000 1.123 58 Y CA 1.275 59.413 58.100 0.064 0.000 1.201 58 Y CB -0.321 38.242 38.460 0.172 0.000 1.011 58 Y HN -0.083 7.959 8.280 -0.197 0.120 0.545 59 F N -1.712 118.279 119.950 0.068 0.000 2.367 59 F HA -0.039 4.418 4.527 -0.117 0.000 0.298 59 F C 1.979 177.778 175.800 -0.003 0.000 1.094 59 F CA 0.631 58.611 58.000 -0.032 0.000 1.409 59 F CB -1.028 37.961 39.000 -0.020 0.000 1.064 59 F HN 0.164 8.364 8.300 0.003 0.102 0.528 60 T N -1.040 113.634 114.554 0.200 0.000 3.009 60 T HA -0.179 4.235 4.350 0.107 0.000 0.258 60 T C 1.647 176.406 174.700 0.097 0.000 1.063 60 T CA 3.068 65.237 62.100 0.115 0.000 1.139 60 T CB 0.099 69.011 68.868 0.073 0.000 0.890 60 T HN -0.143 8.073 8.240 0.167 0.124 0.471 61 E N 0.048 120.321 120.200 0.123 0.000 2.112 61 E HA -0.152 4.249 4.350 0.084 0.000 0.190 61 E C 1.655 178.312 176.600 0.095 0.000 0.979 61 E CA 1.788 58.255 56.400 0.113 0.000 0.814 61 E CB 0.270 30.065 29.700 0.157 0.000 0.762 61 E HN -0.341 8.012 8.360 0.157 0.101 0.460 62 R N -3.734 116.827 120.500 0.102 0.000 2.156 62 R HA 0.078 4.446 4.340 0.046 0.000 0.207 62 R C 0.472 176.789 176.300 0.027 0.000 1.040 62 R CA 0.441 56.571 56.100 0.051 0.000 1.013 62 R CB 0.917 31.226 30.300 0.015 0.000 0.931 62 R HN -0.102 8.145 8.270 0.145 0.109 0.465 63 G N -1.206 107.619 108.800 0.043 0.000 2.212 63 G HA2 -0.362 3.735 3.960 0.042 0.000 0.255 63 G HA3 -0.362 3.607 3.960 0.016 0.000 0.255 63 G C -1.336 173.545 174.900 -0.031 0.000 1.062 63 G CA -0.128 44.984 45.100 0.020 0.000 0.815 63 G HN -0.269 7.943 8.290 0.086 0.130 0.497 64 E N -3.217 116.934 120.200 -0.081 0.000 8.389 64 E HA -0.338 3.815 4.350 -0.328 0.000 0.468 64 E C -1.675 174.840 176.600 -0.141 0.000 0.993 64 E CA 0.443 56.732 56.400 -0.186 0.000 1.743 64 E CB -0.190 29.414 29.700 -0.160 0.000 0.996 64 E HN -0.678 7.652 8.360 -0.050 0.000 0.262 65 Q N -3.478 116.221 119.800 -0.168 0.000 7.557 65 Q HA -0.032 4.265 4.340 -0.072 0.000 0.353 65 Q C -2.460 173.507 176.000 -0.056 0.000 0.935 65 Q CA 1.327 57.077 55.803 -0.088 0.000 0.561 65 Q CB -0.398 28.309 28.738 -0.051 0.000 0.368 65 Q HN 0.302 8.429 8.270 -0.238 0.000 0.859 66 P HA 0.229 4.740 4.420 0.153 0.000 0.286 66 P C -0.978 176.368 177.300 0.077 0.000 1.293 66 P CA -0.690 62.468 63.100 0.097 0.000 0.770 66 P CB 0.690 32.565 31.700 0.291 0.000 1.206 67 H N 0.318 119.462 119.070 0.123 0.000 3.004 67 H HA 0.062 4.633 4.556 0.025 0.000 0.267 67 H C -0.875 174.524 175.328 0.118 0.000 1.165 67 H CA 0.327 56.426 56.048 0.086 0.000 1.450 67 H CB -0.349 29.466 29.762 0.088 0.000 1.488 67 H HN -0.024 8.503 8.280 0.412 0.000 0.478 68 I N 6.640 127.183 120.570 -0.045 0.000 2.331 68 I HA 0.266 4.659 4.170 0.135 -0.141 0.292 68 I C -0.159 175.982 176.117 0.039 0.000 0.998 68 I CA -2.132 59.144 61.300 -0.039 0.000 1.267 68 I CB -0.685 37.092 38.000 -0.372 0.000 1.386 68 I HN -0.289 7.798 8.210 -0.205 0.000 0.476 69 T N 7.935 122.592 114.554 0.171 0.000 2.908 69 T HA 0.243 4.651 4.350 0.096 0.000 0.290 69 T C -1.386 173.429 174.700 0.192 0.000 1.034 69 T CA -1.398 60.798 62.100 0.159 0.000 1.010 69 T CB 3.048 72.025 68.868 0.180 0.000 1.068 69 T HN 0.238 8.526 8.240 0.273 0.116 0.481 70 S N 5.807 121.593 115.700 0.143 0.000 2.474 70 S HA 0.201 4.782 4.470 0.184 0.000 0.320 70 S C -0.393 174.295 174.600 0.147 0.000 1.067 70 S CA -0.431 57.855 58.200 0.144 0.000 1.127 70 S CB 0.406 63.661 63.200 0.092 0.000 0.971 70 S HN 0.182 8.556 8.310 0.107 0.000 0.472 71 Q N 8.057 127.983 119.800 0.211 0.000 2.569 71 Q HA 0.113 4.558 4.340 0.175 0.000 0.226 71 Q C 0.253 176.366 176.000 0.188 0.000 1.136 71 Q CA -1.644 54.301 55.803 0.236 0.000 0.947 71 Q CB -0.538 28.412 28.738 0.353 0.000 1.218 71 Q HN 0.157 8.496 8.270 0.265 0.090 0.547 72 G N 7.750 116.591 108.800 0.069 0.000 2.620 72 G HA2 -0.534 3.404 3.960 -0.037 0.000 0.315 72 G HA3 -0.534 3.379 3.960 -0.079 0.000 0.315 72 G C -0.155 174.638 174.900 -0.179 0.000 1.179 72 G CA 1.769 46.836 45.100 -0.056 0.000 0.971 72 G HN -0.046 8.287 8.290 0.071 0.000 0.544 73 D N 4.568 124.659 120.400 -0.514 0.000 2.350 73 D HA 0.180 4.652 4.640 -0.280 0.000 0.213 73 D C -0.282 175.726 176.300 -0.487 0.000 1.031 73 D CA -0.230 53.434 54.000 -0.560 0.000 0.861 73 D CB 1.068 41.425 40.800 -0.738 0.000 0.926 73 D HN 0.283 8.169 8.370 -0.808 0.000 0.520 74 F N -2.274 117.736 119.950 0.100 0.000 2.518 74 F HA 0.210 4.807 4.527 0.115 0.000 0.338 74 F C -1.409 174.498 175.800 0.178 0.000 1.065 74 F CA -1.956 56.124 58.000 0.134 0.000 1.012 74 F CB 2.014 41.106 39.000 0.154 0.000 1.297 74 F HN -0.204 7.735 8.300 -0.363 0.144 0.489 75 K N -1.843 118.813 120.400 0.428 0.000 2.378 75 K HA 0.716 5.387 4.320 0.355 -0.138 0.244 75 K C -0.960 175.927 176.600 0.478 0.000 1.039 75 K CA -1.137 55.394 56.287 0.407 0.000 0.863 75 K CB 3.926 36.681 32.500 0.426 0.000 1.326 75 K HN 0.216 8.728 8.250 0.437 0.000 0.460 76 V N 0.323 120.535 119.914 0.497 0.000 2.501 76 V HA 0.207 4.821 4.120 0.669 -0.093 0.277 76 V C -1.833 174.604 176.094 0.573 0.000 1.004 76 V CA -1.036 61.608 62.300 0.574 0.000 0.862 76 V CB 1.023 33.138 31.823 0.487 0.000 1.035 76 V HN 0.606 8.984 8.190 0.446 0.080 0.448 77 Y N 9.321 129.923 120.300 0.504 0.000 2.491 77 Y HA 0.573 5.555 4.550 0.314 -0.244 0.334 77 Y C -2.190 173.937 175.900 0.379 0.000 0.969 77 Y CA -3.620 54.745 58.100 0.441 0.000 1.241 77 Y CB 0.384 39.266 38.460 0.704 0.000 1.105 77 Y HN 0.400 8.994 8.280 0.692 0.101 0.503 78 A N 7.875 130.975 122.820 0.467 0.000 2.306 78 A HA 0.918 5.463 4.320 0.075 -0.179 0.330 78 A C -2.265 175.475 177.584 0.259 0.000 1.146 78 A CA -2.687 49.487 52.037 0.227 0.000 0.827 78 A CB 3.131 22.253 19.000 0.202 0.000 1.178 78 A HN 0.571 9.028 8.150 0.511 0.000 0.490 79 A N 0.611 123.497 122.820 0.111 0.000 2.354 79 A HA 0.569 5.044 4.320 0.258 0.000 0.321 79 A C -1.729 175.908 177.584 0.088 0.000 1.125 79 A CA -2.950 49.179 52.037 0.154 0.000 0.799 79 A CB 1.391 20.451 19.000 0.101 0.000 1.293 79 A HN -0.265 7.904 8.150 0.031 0.000 0.452 80 P HA -0.065 4.377 4.420 0.036 0.000 0.222 80 P C 0.691 178.005 177.300 0.024 0.000 1.153 80 P CA 1.204 64.331 63.100 0.045 0.000 0.798 80 P CB 0.448 32.175 31.700 0.045 0.000 0.796 81 G N 0.106 108.919 108.800 0.022 0.000 2.404 81 G HA2 -0.121 3.834 3.960 -0.007 0.000 0.213 81 G HA3 -0.121 3.837 3.960 -0.003 0.000 0.213 81 G C -0.760 174.135 174.900 -0.008 0.000 1.189 81 G CA 0.434 45.534 45.100 -0.000 0.000 0.796 81 G HN -0.060 8.230 8.290 0.036 0.022 0.532 82 I N -0.685 119.885 120.570 -0.000 0.000 3.067 82 I HA 0.124 4.298 4.170 0.006 0.000 0.312 82 I C -1.347 174.795 176.117 0.041 0.000 1.073 82 I CA -2.019 59.286 61.300 0.008 0.000 1.016 82 I CB 2.456 40.450 38.000 -0.011 0.000 1.227 82 I HN -0.832 7.379 8.210 0.001 0.000 0.456 83 E N 4.921 125.172 120.200 0.086 0.000 2.434 83 E HA 0.184 4.609 4.350 0.124 0.000 0.243 83 E C -1.736 175.013 176.600 0.250 0.000 1.250 83 E CA -1.065 55.426 56.400 0.153 0.000 1.568 83 E CB -0.477 29.327 29.700 0.174 0.000 1.435 83 E HN 0.080 8.493 8.360 0.088 0.000 0.432 84 I N 1.666 122.319 120.570 0.139 0.000 2.330 84 I HA 0.491 4.946 4.170 0.156 -0.192 0.289 84 I C -0.747 175.420 176.117 0.084 0.000 1.001 84 I CA -1.845 59.507 61.300 0.087 0.000 1.193 84 I CB 1.538 39.507 38.000 -0.051 0.000 1.345 84 I HN -0.722 7.443 8.210 0.043 0.071 0.461 85 W N 6.720 128.008 121.300 -0.021 0.000 2.288 85 W HA 0.550 5.437 4.660 -0.030 -0.245 0.325 85 W C -0.878 175.701 176.519 0.101 0.000 1.019 85 W CA -4.678 52.689 57.345 0.036 0.000 1.403 85 W CB -1.548 27.983 29.460 0.119 0.000 1.226 85 W HN 0.769 8.926 8.180 -0.037 0.000 0.391 86 C N 4.933 124.336 119.300 0.172 0.000 2.648 86 C HA -0.369 4.142 4.460 0.086 0.000 0.419 86 C C 0.648 175.824 174.990 0.310 0.000 1.352 86 C CA 1.626 60.788 59.018 0.240 0.000 1.816 86 C CB -0.597 27.456 27.740 0.522 0.000 2.598 86 C HN 0.240 8.397 8.230 0.034 0.093 0.598 87 G N 9.376 118.275 108.800 0.165 0.000 1.812 87 G HA2 -0.209 3.871 3.960 0.199 0.000 0.053 87 G HA3 -0.209 4.176 3.960 0.331 -0.226 0.053 87 G C -2.900 172.074 174.900 0.123 0.000 0.844 87 G CA 0.138 45.368 45.100 0.216 0.000 1.151 87 G HN 0.955 9.167 8.290 0.062 0.116 0.362 88 D N 0.143 120.636 120.400 0.154 0.000 2.374 88 D HA 0.344 4.910 4.640 -0.125 0.000 0.239 88 D C -1.411 174.864 176.300 -0.042 0.000 0.991 88 D CA -2.761 51.206 54.000 -0.055 0.000 0.960 88 D CB 3.797 44.366 40.800 -0.385 0.000 1.284 88 D HN -0.205 8.358 8.370 0.322 0.000 0.512 89 F N 2.316 122.145 119.950 -0.201 0.000 2.500 89 F HA 0.275 4.516 4.527 -0.477 0.000 0.349 89 F C -2.212 173.790 175.800 0.337 0.000 1.127 89 F CA -0.508 57.398 58.000 -0.157 0.000 0.998 89 F CB 1.515 40.324 39.000 -0.319 0.000 1.237 89 F HN -0.031 8.319 8.300 0.083 0.000 0.439 90 F N 7.574 127.442 119.950 -0.136 0.000 2.868 90 F HA 0.030 4.111 4.527 -0.744 0.000 0.449 90 F C -1.854 173.886 175.800 -0.101 0.000 1.067 90 F CA 0.519 58.298 58.000 -0.369 0.000 1.116 90 F CB 0.841 39.666 39.000 -0.293 0.000 2.631 90 F HN -0.305 8.444 8.300 0.749 0.000 0.458 91 A N 0.895 123.728 122.820 0.023 0.000 2.317 91 A HA 0.027 4.293 4.320 -0.090 0.000 0.225 91 A C -1.821 175.607 177.584 -0.261 0.000 2.493 91 A CA 0.250 52.235 52.037 -0.087 0.000 1.840 91 A CB 0.572 19.560 19.000 -0.020 0.000 0.584 91 A HN -0.252 7.964 8.150 0.110 0.000 0.821 92 L N -3.587 117.531 121.223 -0.174 0.000 3.360 92 L HA 0.476 4.645 4.340 -0.285 0.000 0.303 92 L C -1.199 175.633 176.870 -0.064 0.000 1.218 92 L CA 0.335 55.074 54.840 -0.169 0.000 1.059 92 L CB -0.481 41.552 42.059 -0.043 0.000 1.468 92 L HN -0.137 8.027 8.230 -0.110 0.000 0.614 93 T N 0.238 114.733 114.554 -0.099 0.000 2.648 93 T HA -0.286 3.974 4.350 -0.150 0.000 0.488 93 T C 0.544 175.223 174.700 -0.036 0.000 0.793 93 T CA 0.946 62.985 62.100 -0.101 0.000 2.554 93 T CB -1.376 67.429 68.868 -0.106 0.000 1.654 93 T HN -0.256 7.895 8.240 -0.149 0.000 0.499 94 A N 4.045 126.860 122.820 -0.009 0.000 2.186 94 A HA -0.286 4.100 4.320 0.110 0.000 0.219 94 A C 0.869 178.452 177.584 -0.003 0.000 1.159 94 A CA 2.454 54.517 52.037 0.043 0.000 0.680 94 A CB -0.071 18.959 19.000 0.051 0.000 0.787 94 A HN 0.446 8.567 8.150 -0.048 0.000 0.467 95 R N -5.131 115.343 120.500 -0.042 0.000 2.066 95 R HA -0.156 4.163 4.340 -0.020 0.010 0.224 95 R C 1.994 178.290 176.300 -0.008 0.000 1.122 95 R CA 2.764 58.846 56.100 -0.030 0.000 0.974 95 R CB -0.571 29.693 30.300 -0.061 0.000 0.871 95 R HN 0.106 8.265 8.270 -0.070 0.069 0.435 96 D N 0.642 121.010 120.400 -0.054 0.000 2.097 96 D HA -0.182 4.362 4.640 -0.160 0.000 0.195 96 D C 1.866 178.103 176.300 -0.104 0.000 0.989 96 D CA 3.036 56.967 54.000 -0.114 0.000 0.827 96 D CB -0.038 40.693 40.800 -0.115 0.000 0.966 96 D HN -0.535 7.721 8.370 -0.063 0.077 0.456 97 I N -4.426 116.127 120.570 -0.029 0.000 2.286 97 I HA -0.050 4.104 4.170 -0.027 0.000 0.245 97 I C 1.958 178.122 176.117 0.079 0.000 1.104 97 I CA 2.061 63.372 61.300 0.018 0.000 1.397 97 I CB -0.085 37.959 38.000 0.073 0.000 1.072 97 I HN -0.341 7.860 8.210 -0.015 0.000 0.417 98 G N -1.360 107.500 108.800 0.100 0.000 2.666 98 G HA2 -0.374 3.697 3.960 0.185 0.000 0.215 98 G HA3 -0.374 3.780 3.960 0.111 -0.128 0.215 98 G C 0.134 175.155 174.900 0.202 0.000 1.294 98 G CA 1.828 47.015 45.100 0.146 0.000 0.811 98 G HN -0.215 7.980 8.290 0.070 0.136 0.594 99 H N -1.129 117.954 119.070 0.022 0.000 1.544 99 H HA -0.430 4.123 4.556 -0.005 0.000 0.090 99 H C -1.315 174.033 175.328 0.032 0.000 0.587 99 H CA 2.434 58.489 56.048 0.011 0.000 1.892 99 H CB -0.176 29.585 29.762 -0.002 0.000 2.244 99 H HN 0.171 8.560 8.280 0.182 0.000 0.960 100 C N -3.037 116.341 119.300 0.131 0.000 2.782 100 C HA 0.955 5.609 4.460 0.062 -0.156 0.328 100 C C -1.794 173.279 174.990 0.139 0.000 1.145 100 C CA -2.834 56.227 59.018 0.071 0.000 1.358 100 C CB 3.359 31.090 27.740 -0.014 0.000 1.841 100 C HN 0.015 8.360 8.230 0.207 0.009 0.477 101 A N 3.858 126.774 122.820 0.159 0.000 3.560 101 A HA 0.049 4.494 4.320 0.209 0.000 0.054 101 A C -2.494 175.231 177.584 0.236 0.000 1.300 101 A CA 0.837 53.015 52.037 0.235 0.000 1.196 101 A CB -0.239 18.954 19.000 0.322 0.000 0.851 101 A HN 0.742 8.872 8.150 0.130 0.098 0.405 102 A N -2.871 120.167 122.820 0.362 0.000 2.456 102 A HA 0.381 4.866 4.320 0.356 0.048 0.294 102 A C -3.303 174.631 177.584 0.583 0.000 1.057 102 A CA 0.333 52.608 52.037 0.397 0.000 0.623 102 A CB 2.758 21.888 19.000 0.217 0.000 1.338 102 A HN -0.037 8.365 8.150 0.419 0.000 0.464 103 F N -4.490 115.677 119.950 0.362 0.000 2.639 103 F HA 0.658 5.599 4.527 0.337 -0.213 0.320 103 F C -3.184 172.806 175.800 0.316 0.000 1.128 103 F CA -0.506 57.685 58.000 0.318 0.000 1.037 103 F CB 2.650 41.790 39.000 0.234 0.000 1.288 103 F HN 0.212 8.600 8.300 0.301 0.093 0.463 104 Y N 5.168 125.468 120.300 -0.000 0.000 2.425 104 Y HA 0.273 4.754 4.550 -0.306 -0.115 0.347 104 Y C -1.784 174.066 175.900 -0.083 0.000 0.976 104 Y CA -0.860 57.144 58.100 -0.160 0.000 1.190 104 Y CB 1.147 39.546 38.460 -0.102 0.000 1.136 104 Y HN 0.305 8.825 8.280 0.399 0.000 0.517 105 D N 8.550 128.654 120.400 -0.494 0.000 2.233 105 D HA 0.313 4.973 4.640 0.034 0.000 0.240 105 D C -1.606 174.454 176.300 -0.400 0.000 1.074 105 D CA -1.021 52.868 54.000 -0.184 0.000 0.838 105 D CB 2.711 43.564 40.800 0.088 0.000 1.124 105 D HN 0.598 8.398 8.370 -0.752 0.119 0.475 106 R N 4.485 124.847 120.500 -0.229 0.000 2.540 106 R HA 0.159 4.285 4.340 -0.357 0.000 0.287 106 R C -1.084 175.134 176.300 -0.137 0.000 0.980 106 R CA -1.716 54.250 56.100 -0.224 0.000 0.966 106 R CB 2.888 33.114 30.300 -0.123 0.000 1.106 106 R HN -0.596 7.608 8.270 -0.111 0.000 0.480 107 A N 3.107 125.841 122.820 -0.144 0.000 2.519 107 A HA -0.215 4.029 4.320 -0.127 0.000 0.275 107 A C -1.014 176.504 177.584 -0.111 0.000 1.082 107 A CA 1.487 53.453 52.037 -0.119 0.000 0.841 107 A CB -0.164 18.779 19.000 -0.095 0.000 0.984 107 A HN 0.283 8.335 8.150 -0.163 0.000 0.531 108 A N 7.322 130.040 122.820 -0.170 0.000 1.853 108 A HA -0.089 4.173 4.320 -0.097 0.000 0.204 108 A C 1.421 178.786 177.584 -0.366 0.000 1.724 108 A CA 0.701 52.627 52.037 -0.185 0.000 1.105 108 A CB 0.656 19.630 19.000 -0.044 0.000 1.101 108 A HN 0.063 8.077 8.150 -0.226 0.000 0.495 109 M N -0.139 119.039 119.600 -0.704 0.000 2.296 109 M HA -0.157 3.896 4.480 -0.712 0.000 0.265 109 M C 1.340 177.427 176.300 -0.355 0.000 1.064 109 M CA 2.876 57.758 55.300 -0.698 0.000 1.109 109 M CB -0.840 31.308 32.600 -0.753 0.000 1.396 109 M HN 0.224 8.058 8.290 -0.760 0.000 0.430 110 I N -4.147 116.279 120.570 -0.240 0.000 2.756 110 I HA -0.119 3.971 4.170 -0.134 0.000 0.262 110 I C 0.535 176.652 176.117 -0.000 0.000 1.225 110 I CA 1.820 63.058 61.300 -0.103 0.000 1.472 110 I CB -2.615 35.356 38.000 -0.048 0.000 1.094 110 I HN -0.103 7.941 8.210 -0.237 0.024 0.454 111 A N -1.228 121.561 122.820 -0.052 0.000 2.123 111 A HA 0.001 4.514 4.320 0.052 -0.162 0.214 111 A C -0.059 177.539 177.584 0.023 0.000 1.152 111 A CA 0.789 52.831 52.037 0.008 0.000 0.728 111 A CB 0.660 19.652 19.000 -0.014 0.000 0.814 111 A HN -0.418 7.479 8.150 -0.123 0.179 0.464 112 L N -4.969 116.214 121.223 -0.066 0.000 2.335 112 L HA 0.630 4.951 4.340 -0.030 0.000 0.268 112 L C -2.206 174.496 176.870 -0.280 0.000 1.016 112 L CA -3.661 51.121 54.840 -0.097 0.000 0.805 112 L CB -1.185 40.831 42.059 -0.072 0.000 1.311 112 L HN -0.703 7.264 8.230 -0.138 0.180 0.456 113 P HA 0.108 3.930 4.420 -0.997 0.000 0.302 113 P C -0.124 176.868 177.300 -0.514 0.000 1.301 113 P CA -0.770 62.000 63.100 -0.549 0.000 0.745 113 P CB 0.215 31.745 31.700 -0.284 0.000 1.331 114 A N -1.131 121.414 122.820 -0.459 0.000 1.832 114 A HA -0.279 3.743 4.320 -0.497 0.000 0.214 114 A C 1.639 179.232 177.584 0.015 0.000 1.204 114 A CA 3.483 55.359 52.037 -0.267 0.000 0.606 114 A CB -1.078 17.843 19.000 -0.133 0.000 0.849 114 A HN 0.286 8.170 8.150 -0.443 0.000 0.445 115 D N -1.297 119.111 120.400 0.013 0.000 2.230 115 D HA -0.343 4.354 4.640 0.096 0.000 0.189 115 D C 2.408 178.745 176.300 0.062 0.000 1.006 115 D CA 3.071 57.104 54.000 0.054 0.000 0.853 115 D CB -0.695 40.117 40.800 0.019 0.000 0.959 115 D HN 0.276 8.627 8.370 -0.033 0.000 0.449 116 M N -1.583 118.026 119.600 0.016 0.000 2.149 116 M HA -0.257 4.252 4.480 0.048 0.000 0.261 116 M C 1.897 178.260 176.300 0.106 0.000 1.064 116 M CA 2.501 57.826 55.300 0.043 0.000 1.102 116 M CB -0.411 32.198 32.600 0.015 0.000 1.369 116 M HN -0.184 8.090 8.290 -0.026 0.000 0.408 117 R N -1.416 119.118 120.500 0.056 0.000 2.083 117 R HA -0.422 3.943 4.340 0.041 0.000 0.237 117 R C 2.285 178.861 176.300 0.461 0.000 1.137 117 R CA 4.163 60.337 56.100 0.123 0.000 0.951 117 R CB -0.647 29.504 30.300 -0.248 0.000 0.851 117 R HN -0.637 7.396 8.270 -0.043 0.211 0.434 118 E N -1.082 119.402 120.200 0.473 0.000 2.110 118 E HA -0.334 4.220 4.350 0.339 0.000 0.193 118 E C 2.848 179.551 176.600 0.171 0.000 0.988 118 E CA 3.320 59.911 56.400 0.320 0.000 0.804 118 E CB -0.362 29.453 29.700 0.192 0.000 0.745 118 E HN 0.336 8.771 8.360 0.417 0.176 0.458 119 R N -2.231 118.316 120.500 0.079 0.000 2.148 119 R HA -0.198 4.211 4.340 -0.231 -0.208 0.223 119 R C 2.484 178.682 176.300 -0.170 0.000 1.088 119 R CA 2.141 58.132 56.100 -0.182 0.000 0.985 119 R CB -0.396 29.761 30.300 -0.238 0.000 0.880 119 R HN 0.022 8.275 8.270 0.105 0.080 0.451 120 Y N 2.156 122.472 120.300 0.025 0.000 2.153 120 Y HA -0.265 4.407 4.550 0.205 0.000 0.289 120 Y C 1.246 177.311 175.900 0.275 0.000 1.119 120 Y CA 3.682 61.885 58.100 0.172 0.000 1.116 120 Y CB 0.089 38.659 38.460 0.183 0.000 1.004 120 Y HN 0.032 8.281 8.280 0.336 0.233 0.501 121 V N -1.883 118.453 119.914 0.702 0.000 2.332 121 V HA -0.623 4.056 4.120 0.932 0.000 0.248 121 V C 1.324 177.720 176.094 0.504 0.000 1.055 121 V CA 4.560 67.319 62.300 0.766 0.000 1.038 121 V CB 0.022 32.262 31.823 0.694 0.000 0.651 121 V HN 0.348 8.961 8.190 0.705 0.000 0.450 122 Q N -0.832 119.134 119.800 0.276 0.000 2.050 122 Q HA -0.363 4.216 4.340 0.026 -0.223 0.202 122 Q C 2.264 178.321 176.000 0.096 0.000 0.980 122 Q CA 2.673 58.538 55.803 0.103 0.000 0.840 122 Q CB -0.536 28.246 28.738 0.073 0.000 0.898 122 Q HN -0.013 8.414 8.270 0.262 0.000 0.424 123 H N 1.177 120.251 119.070 0.007 0.000 2.387 123 H HA -0.234 4.282 4.556 -0.066 0.000 0.299 123 H C 2.632 177.867 175.328 -0.155 0.000 1.090 123 H CA 1.775 57.787 56.048 -0.060 0.000 1.332 123 H CB -0.313 29.451 29.762 0.004 0.000 1.386 123 H HN -0.249 7.938 8.280 0.154 0.185 0.516 124 L N -0.128 121.088 121.223 -0.012 0.000 1.973 124 L HA -0.345 3.923 4.340 -0.119 0.000 0.208 124 L C 1.592 178.281 176.870 -0.303 0.000 1.073 124 L CA 3.354 58.129 54.840 -0.107 0.000 0.746 124 L CB -0.245 41.844 42.059 0.049 0.000 0.891 124 L HN 0.460 8.530 8.230 0.065 0.199 0.433 125 E N -2.748 117.086 120.200 -0.610 0.000 2.273 125 E HA -0.452 3.292 4.350 -1.010 0.000 0.198 125 E C 1.910 178.208 176.600 -0.503 0.000 1.002 125 E CA 2.798 58.603 56.400 -0.991 0.000 0.828 125 E CB -1.094 27.570 29.700 -1.728 0.000 0.747 125 E HN 0.355 8.288 8.360 -0.543 0.101 0.491 126 A N -0.519 122.112 122.820 -0.316 0.000 1.855 126 A HA -0.079 4.115 4.320 -0.209 0.000 0.213 126 A C 1.561 179.024 177.584 -0.202 0.000 1.195 126 A CA 2.497 54.408 52.037 -0.210 0.000 0.610 126 A CB -0.084 18.841 19.000 -0.126 0.000 0.837 126 A HN -0.247 7.594 8.150 -0.256 0.155 0.444 127 L N -6.275 114.820 121.223 -0.214 0.000 2.591 127 L HA 0.247 4.480 4.340 -0.178 0.000 0.228 127 L C 0.355 177.118 176.870 -0.178 0.000 1.133 127 L CA 0.499 55.219 54.840 -0.200 0.000 0.880 127 L CB -0.340 41.567 42.059 -0.253 0.000 1.033 127 L HN -0.390 7.641 8.230 -0.218 0.068 0.450 128 M N -0.079 119.385 119.600 -0.227 0.000 2.113 128 M HA 0.034 4.376 4.480 -0.231 0.000 0.288 128 M C -0.935 175.287 176.300 -0.129 0.000 1.225 128 M CA 0.019 55.181 55.300 -0.230 0.000 1.148 128 M CB -1.076 31.323 32.600 -0.336 0.000 1.388 128 M HN 0.016 7.966 8.290 -0.274 0.175 0.469 129 P HA 0.036 4.472 4.420 0.028 0.000 0.329 129 P C -1.166 176.124 177.300 -0.017 0.000 1.319 129 P CA -0.798 62.307 63.100 0.009 0.000 0.742 129 P CB 1.370 33.115 31.700 0.076 0.000 1.564 130 Q N -3.448 116.350 119.800 -0.004 0.000 2.442 130 Q HA 0.136 4.450 4.340 -0.044 0.000 0.228 130 Q C -0.301 175.688 176.000 -0.018 0.000 0.902 130 Q CA 0.333 56.115 55.803 -0.035 0.000 0.933 130 Q CB 2.719 31.416 28.738 -0.068 0.000 1.071 130 Q HN 0.130 8.295 8.270 0.011 0.112 0.562 131 A N -0.982 121.836 122.820 -0.003 0.000 2.745 131 A HA 0.543 5.093 4.320 0.033 -0.210 0.301 131 A C -2.070 175.552 177.584 0.063 0.000 1.188 131 A CA -0.783 51.266 52.037 0.020 0.000 0.746 131 A CB 1.421 20.413 19.000 -0.012 0.000 1.207 131 A HN 0.088 8.235 8.150 -0.005 0.000 0.432 132 C N 1.698 121.066 119.300 0.113 0.000 3.086 132 C HA 0.689 5.383 4.460 0.129 -0.157 0.311 132 C C -2.183 172.919 174.990 0.185 0.000 1.260 132 C CA -2.790 56.328 59.018 0.168 0.000 1.426 132 C CB 3.861 31.750 27.740 0.247 0.000 1.826 132 C HN 0.512 8.816 8.230 0.122 0.000 0.474 133 S N 1.158 116.930 115.700 0.121 0.000 2.404 133 S HA 0.244 4.760 4.470 0.077 0.000 0.309 133 S C 0.052 174.685 174.600 0.055 0.000 1.076 133 S CA -1.008 57.212 58.200 0.034 0.000 1.095 133 S CB 0.551 63.648 63.200 -0.172 0.000 0.972 133 S HN 0.641 8.948 8.310 0.089 0.056 0.484 134 G N 4.587 113.422 108.800 0.058 0.000 2.367 134 G HA2 0.615 4.287 3.960 -0.917 0.000 0.314 134 G HA3 0.615 4.301 3.960 -0.434 0.014 0.314 134 G C -2.986 171.624 174.900 -0.484 0.000 1.130 134 G CA -1.504 43.287 45.100 -0.514 0.000 0.864 134 G HN 1.009 9.404 8.290 0.175 0.000 0.486 135 L N 4.308 125.145 121.223 -0.643 0.000 2.372 135 L HA 0.579 4.816 4.340 -0.389 -0.130 0.273 135 L C -2.151 174.385 176.870 -0.557 0.000 0.989 135 L CA -0.935 53.641 54.840 -0.439 0.000 0.841 135 L CB 2.728 44.666 42.059 -0.203 0.000 1.225 135 L HN 0.532 8.221 8.230 -0.902 0.000 0.414 136 L N 6.805 127.783 121.223 -0.408 0.000 2.312 136 L HA 0.586 4.912 4.340 -0.392 -0.221 0.281 136 L C -1.454 175.183 176.870 -0.389 0.000 1.070 136 L CA -1.057 53.582 54.840 -0.335 0.000 0.805 136 L CB 2.850 44.834 42.059 -0.124 0.000 1.174 136 L HN 0.842 8.882 8.230 -0.317 0.000 0.434 137 I N 4.199 124.526 120.570 -0.405 0.000 2.437 137 I HA 0.451 4.507 4.170 -0.371 -0.108 0.279 137 I C -0.965 175.001 176.117 -0.252 0.000 1.028 137 I CA -2.649 58.435 61.300 -0.360 0.000 1.142 137 I CB -0.597 37.171 38.000 -0.387 0.000 1.266 137 I HN 0.498 8.474 8.210 -0.389 0.000 0.461 138 T N 4.431 118.828 114.554 -0.261 0.000 2.922 138 T HA 0.204 4.489 4.350 -0.109 0.000 0.281 138 T C -1.275 173.368 174.700 -0.095 0.000 1.005 138 T CA -2.302 59.715 62.100 -0.139 0.000 0.982 138 T CB 1.803 70.632 68.868 -0.065 0.000 1.158 138 T HN 0.678 8.584 8.240 -0.394 0.098 0.566 139 L N -4.913 116.296 121.223 -0.024 0.000 2.491 139 L HA 0.575 5.051 4.340 -0.063 -0.174 0.254 139 L C -1.392 175.511 176.870 0.054 0.000 1.048 139 L CA -0.848 53.981 54.840 -0.019 0.000 0.855 139 L CB 3.613 45.648 42.059 -0.040 0.000 1.466 139 L HN 0.026 8.256 8.230 0.000 0.000 0.409 140 E N 0.760 120.995 120.200 0.059 0.000 3.275 140 E HA 0.036 4.443 4.350 0.094 0.000 0.182 140 E C 0.678 177.358 176.600 0.133 0.000 1.217 140 E CA -0.548 55.921 56.400 0.115 0.000 1.276 140 E CB 1.605 31.403 29.700 0.164 0.000 1.980 140 E HN 0.006 8.378 8.360 0.020 0.000 0.516 141 Y N 0.355 120.618 120.300 -0.062 0.000 1.740 141 Y HA -0.358 4.159 4.550 -0.055 0.000 0.194 141 Y C -0.488 175.376 175.900 -0.059 0.000 1.024 141 Y CA 2.100 60.165 58.100 -0.060 0.000 0.930 141 Y CB -0.932 37.491 38.460 -0.062 0.000 0.802 141 Y HN -0.068 8.523 8.280 0.518 0.000 0.571 142 D N -3.686 116.804 120.400 0.151 0.000 2.908 142 D HA -0.263 4.406 4.640 0.048 0.000 0.215 142 D C -0.886 175.413 176.300 -0.001 0.000 1.095 142 D CA 1.547 55.577 54.000 0.049 0.000 0.812 142 D CB 0.310 41.125 40.800 0.026 0.000 1.180 142 D HN 0.029 8.520 8.370 0.203 0.000 0.512 143 Q N -2.984 116.801 119.800 -0.024 0.000 1.395 143 Q HA -0.050 4.261 4.340 -0.049 0.000 0.133 143 Q C -1.566 174.403 176.000 -0.051 0.000 0.625 143 Q CA 0.312 56.084 55.803 -0.053 0.000 0.614 143 Q CB 0.451 29.136 28.738 -0.088 0.000 1.051 143 Q HN 0.200 8.459 8.270 -0.018 0.000 0.328 144 A N -0.740 122.053 122.820 -0.044 0.000 2.985 144 A HA 0.236 4.532 4.320 -0.039 0.000 0.303 144 A C -1.199 176.369 177.584 -0.026 0.000 1.048 144 A CA 0.059 52.072 52.037 -0.040 0.000 1.016 144 A CB 0.138 19.108 19.000 -0.050 0.000 1.118 144 A HN -0.016 8.110 8.150 -0.040 0.000 0.529 145 L N -6.270 114.942 121.223 -0.019 0.000 2.899 145 L HA 0.114 4.446 4.340 -0.013 0.000 0.329 145 L C -2.754 174.110 176.870 -0.010 0.000 1.061 145 L CA 0.976 55.809 54.840 -0.012 0.000 1.569 145 L CB -0.317 41.738 42.059 -0.006 0.000 2.617 145 L HN -0.468 7.701 8.230 -0.020 0.049 0.549 146 L N 1.289 122.506 121.223 -0.010 0.000 2.399 146 L HA 0.112 4.447 4.340 -0.010 0.000 0.266 146 L C -0.130 176.732 176.870 -0.013 0.000 1.114 146 L CA -1.023 53.811 54.840 -0.010 0.000 0.804 146 L CB 1.548 43.602 42.059 -0.008 0.000 1.146 146 L HN -0.540 7.683 8.230 -0.011 0.000 0.451 147 E N 1.364 121.556 120.200 -0.014 0.000 2.271 147 E HA -0.136 4.207 4.350 -0.011 0.000 0.255 147 E C -0.176 176.418 176.600 -0.010 0.000 1.177 147 E CA 0.390 56.783 56.400 -0.012 0.000 0.946 147 E CB -0.695 28.996 29.700 -0.014 0.000 1.009 147 E HN 0.408 8.759 8.360 -0.015 0.000 0.451 148 G N 4.330 113.126 108.800 -0.007 0.000 3.295 148 G HA2 -0.239 3.723 3.960 0.002 0.000 0.686 148 G HA3 -0.239 3.722 3.960 0.001 0.000 0.686 148 G C -2.851 172.042 174.900 -0.011 0.000 0.958 148 G CA -1.304 43.794 45.100 -0.003 0.000 0.787 148 G HN -0.450 7.836 8.290 -0.008 0.000 0.523 149 P HA 0.338 4.730 4.420 -0.047 0.000 0.280 149 P C -2.408 174.873 177.300 -0.031 0.000 1.300 149 P CA -1.879 61.195 63.100 -0.043 0.000 0.785 149 P CB -0.000 31.655 31.700 -0.074 0.000 0.874 150 P HA 0.049 4.658 4.420 0.030 -0.172 0.280 150 P C -1.124 176.162 177.300 -0.024 0.000 1.244 150 P CA -1.242 61.857 63.100 -0.002 0.000 0.784 150 P CB 0.735 32.431 31.700 -0.005 0.000 0.913 151 F N 3.565 123.458 119.950 -0.095 0.000 2.676 151 F HA -0.028 4.448 4.527 -0.086 0.000 0.300 151 F C -0.309 175.434 175.800 -0.094 0.000 1.160 151 F CA 0.063 57.997 58.000 -0.111 0.000 1.401 151 F CB 0.705 39.599 39.000 -0.178 0.000 1.037 151 F HN 0.533 8.807 8.300 0.203 0.148 0.522 152 S N -0.610 115.133 115.700 0.072 0.000 3.367 152 S HA -0.512 4.282 4.470 0.127 -0.248 0.375 152 S C -0.663 173.992 174.600 0.091 0.000 0.962 152 S CA 0.847 59.110 58.200 0.106 0.000 1.229 152 S CB -1.719 61.549 63.200 0.113 0.000 0.905 152 S HN -0.464 7.767 8.310 0.044 0.106 0.482 153 V N 0.880 120.816 119.914 0.036 0.000 2.717 153 V HA -0.235 3.767 4.120 -0.196 0.000 0.302 153 V C -1.807 174.293 176.094 0.011 0.000 1.097 153 V CA -0.296 61.955 62.300 -0.081 0.000 1.262 153 V CB 0.823 32.542 31.823 -0.173 0.000 0.846 153 V HN -0.183 8.028 8.190 0.029 -0.003 0.485 154 P HA 0.164 4.558 4.420 -0.043 0.000 0.281 154 P C 0.029 177.271 177.300 -0.096 0.000 1.252 154 P CA -0.676 62.413 63.100 -0.017 0.000 0.778 154 P CB 1.002 32.724 31.700 0.036 0.000 0.895 155 Q N 4.546 124.174 119.800 -0.287 0.000 2.152 155 Q HA -0.463 3.191 4.340 -1.144 0.000 0.206 155 Q C 1.371 177.251 176.000 -0.201 0.000 0.985 155 Q CA 4.653 60.116 55.803 -0.567 0.000 0.863 155 Q CB -0.443 28.046 28.738 -0.416 0.000 0.904 155 Q HN 0.442 8.590 8.270 -0.204 0.000 0.422 156 T N -0.354 114.162 114.554 -0.064 0.000 2.720 156 T HA -0.305 4.035 4.350 -0.016 0.000 0.268 156 T C 1.310 176.042 174.700 0.053 0.000 1.037 156 T CA 3.767 65.867 62.100 0.001 0.000 1.144 156 T CB -0.639 68.236 68.868 0.011 0.000 0.864 156 T HN -0.045 8.155 8.240 -0.057 0.006 0.444 157 W N 2.006 123.246 121.300 -0.100 0.000 2.355 157 W HA -0.380 4.252 4.660 -0.046 0.000 0.309 157 W C 1.185 177.646 176.519 -0.096 0.000 1.206 157 W CA 4.178 61.476 57.345 -0.078 0.000 1.284 157 W CB -0.166 29.250 29.460 -0.073 0.000 1.145 157 W HN -0.391 7.830 8.180 0.227 0.095 0.502 158 L N -1.874 119.478 121.223 0.215 0.000 2.042 158 L HA -0.545 3.763 4.340 -0.054 0.000 0.210 158 L C 1.424 178.148 176.870 -0.243 0.000 1.076 158 L CA 3.739 58.549 54.840 -0.049 0.000 0.749 158 L CB -0.409 41.532 42.059 -0.197 0.000 0.893 158 L HN -0.393 7.910 8.230 0.236 0.069 0.432 159 H N -3.270 115.665 119.070 -0.226 0.000 2.529 159 H HA -0.118 4.339 4.556 -0.165 0.000 0.277 159 H C 1.530 176.750 175.328 -0.179 0.000 0.999 159 H CA 2.114 58.056 56.048 -0.178 0.000 1.256 159 H CB 0.818 30.497 29.762 -0.137 0.000 1.402 159 H HN -0.091 7.983 8.280 -0.021 0.193 0.566 160 R N -2.116 118.308 120.500 -0.126 0.000 2.100 160 R HA -0.082 4.210 4.340 -0.080 0.000 0.220 160 R C 0.482 176.598 176.300 -0.307 0.000 1.091 160 R CA 1.759 57.742 56.100 -0.194 0.000 0.986 160 R CB 0.417 30.572 30.300 -0.241 0.000 0.888 160 R HN -0.381 7.582 8.270 -0.179 0.200 0.444 161 V N -2.560 117.031 119.914 -0.538 0.000 2.840 161 V HA 0.059 3.991 4.120 -0.313 0.000 0.234 161 V C 0.444 176.396 176.094 -0.237 0.000 1.159 161 V CA 0.638 62.641 62.300 -0.495 0.000 1.194 161 V CB 1.455 32.732 31.823 -0.910 0.000 0.971 161 V HN 0.148 7.824 8.190 -0.700 0.094 0.494 162 M N 0.386 119.813 119.600 -0.288 0.000 2.771 162 M HA -0.249 4.469 4.480 0.396 0.000 0.246 162 M C -0.684 175.664 176.300 0.080 0.000 1.054 162 M CA 1.912 57.215 55.300 0.004 0.000 1.068 162 M CB -0.106 32.310 32.600 -0.305 0.000 1.452 162 M HN -0.440 7.454 8.290 -0.564 0.057 0.549 163 S N -1.416 114.269 115.700 -0.026 0.000 2.434 163 S HA 0.056 4.498 4.470 -0.047 0.000 0.318 163 S C -0.755 173.884 174.600 0.065 0.000 1.062 163 S CA -0.808 57.372 58.200 -0.034 0.000 1.116 163 S CB -0.028 63.111 63.200 -0.102 0.000 0.977 163 S HN -0.564 7.534 8.310 -0.102 0.151 0.480 164 G N 6.420 115.302 108.800 0.136 0.000 3.268 164 G HA2 0.085 4.065 3.960 0.033 0.000 0.233 164 G HA3 0.085 4.057 3.960 0.020 0.000 0.233 164 G C -1.411 173.473 174.900 -0.026 0.000 3.485 164 G CA -0.115 45.013 45.100 0.046 0.000 0.718 164 G HN 0.001 8.451 8.290 0.267 0.000 0.371 165 N N -3.095 115.605 118.700 0.001 0.000 2.460 165 N HA -0.027 4.652 4.740 -0.102 0.000 0.327 165 N C -2.135 173.363 175.510 -0.021 0.000 1.633 165 N CA 1.193 54.150 53.050 -0.154 0.000 3.235 165 N CB 0.637 38.842 38.487 -0.471 0.000 1.560 165 N HN -0.094 8.351 8.380 0.109 0.000 1.134 166 W N -4.593 116.691 121.300 -0.027 0.000 3.259 166 W HA 0.735 5.569 4.660 0.010 -0.168 0.331 166 W C -1.622 174.860 176.519 -0.063 0.000 1.144 166 W CA -3.955 53.386 57.345 -0.008 0.000 1.227 166 W CB 0.522 30.011 29.460 0.047 0.000 1.371 166 W HN -0.533 8.017 8.180 0.616 0.000 0.491 167 E N 3.110 123.408 120.200 0.163 0.000 1.865 167 E HA 0.072 4.401 4.350 -0.034 0.000 0.269 167 E C -0.238 176.323 176.600 -0.066 0.000 1.177 167 E CA -0.304 56.109 56.400 0.022 0.000 0.932 167 E CB 0.194 29.928 29.700 0.057 0.000 1.066 167 E HN 0.122 8.518 8.360 0.182 0.073 0.405 168 V N 2.356 122.119 119.914 -0.252 0.000 2.583 168 V HA 0.316 4.430 4.120 -0.196 -0.110 0.287 168 V C -0.575 175.458 176.094 -0.102 0.000 1.051 168 V CA -0.826 61.312 62.300 -0.270 0.000 1.010 168 V CB 1.043 32.593 31.823 -0.456 0.000 0.988 168 V HN -0.298 7.652 8.190 -0.399 0.000 0.478 169 T N 4.871 119.429 114.554 0.007 0.000 2.893 169 T HA 0.360 4.808 4.350 0.164 0.000 0.293 169 T C -1.373 173.428 174.700 0.170 0.000 1.027 169 T CA -2.054 60.115 62.100 0.115 0.000 0.988 169 T CB 2.961 71.909 68.868 0.132 0.000 1.043 169 T HN 0.207 8.418 8.240 -0.013 0.021 0.461 170 K N 6.489 126.999 120.400 0.184 0.000 2.401 170 K HA 0.007 4.617 4.320 0.484 0.000 0.278 170 K C -1.615 175.124 176.600 0.231 0.000 1.018 170 K CA 0.342 56.788 56.287 0.264 0.000 0.981 170 K CB 0.094 32.697 32.500 0.171 0.000 0.933 170 K HN 0.170 8.509 8.250 0.148 0.000 0.477 171 V N 1.641 121.684 119.914 0.215 0.000 3.300 171 V HA 0.244 4.469 4.120 0.174 0.000 0.289 171 V C -1.804 174.326 176.094 0.061 0.000 1.533 171 V CA -0.807 61.584 62.300 0.152 0.000 1.059 171 V CB 2.468 34.405 31.823 0.191 0.000 1.161 171 V HN 0.507 8.845 8.190 0.246 0.000 0.462 172 G N 1.261 110.100 108.800 0.065 0.000 2.587 172 G HA2 -0.268 3.690 3.960 -0.002 0.000 0.212 172 G HA3 -0.268 3.654 3.960 -0.063 0.000 0.212 172 G C -2.146 172.755 174.900 0.003 0.000 1.327 172 G CA -0.383 44.716 45.100 -0.002 0.000 0.898 172 G HN 0.232 8.590 8.290 0.114 0.000 0.551 173 G N -2.943 105.805 108.800 -0.086 0.000 2.336 173 G HA2 -0.029 3.845 3.960 -0.142 0.000 0.286 173 G HA3 -0.029 3.885 3.960 -0.076 0.000 0.286 173 G C -3.273 171.484 174.900 -0.238 0.000 1.269 173 G CA -0.030 44.989 45.100 -0.136 0.000 0.873 173 G HN 0.071 8.280 8.290 -0.135 0.000 0.494 174 Q N -1.174 118.495 119.800 -0.218 0.000 2.699 174 Q HA 0.035 4.258 4.340 -0.324 -0.077 0.240 174 Q C -1.321 174.555 176.000 -0.206 0.000 1.033 174 Q CA -0.619 55.017 55.803 -0.277 0.000 0.938 174 Q CB 2.583 31.125 28.738 -0.327 0.000 1.312 174 Q HN -0.061 8.114 8.270 -0.158 0.000 0.507 175 D N -3.548 116.704 120.400 -0.247 0.000 3.077 175 D HA -0.330 4.203 4.640 -0.178 0.000 0.212 175 D C -1.252 174.976 176.300 -0.120 0.000 1.125 175 D CA 1.274 55.176 54.000 -0.162 0.000 0.970 175 D CB -0.182 40.556 40.800 -0.103 0.000 1.110 175 D HN 0.392 8.542 8.370 -0.367 0.000 0.419 176 T N 0.851 115.321 114.554 -0.140 0.000 3.378 176 T HA 0.243 4.563 4.350 -0.050 0.000 0.359 176 T C -0.435 174.215 174.700 -0.083 0.000 1.815 176 T CA -2.121 59.926 62.100 -0.088 0.000 1.509 176 T CB -0.825 67.989 68.868 -0.089 0.000 1.049 176 T HN -0.280 7.788 8.240 -0.193 0.055 0.705 177 L N 6.902 128.093 121.223 -0.053 0.000 2.202 177 L HA 0.096 4.399 4.340 -0.063 0.000 0.205 177 L C 0.182 177.079 176.870 0.046 0.000 1.083 177 L CA 2.073 56.894 54.840 -0.031 0.000 0.790 177 L CB -0.232 41.804 42.059 -0.038 0.000 0.942 177 L HN -0.068 8.135 8.230 -0.044 0.000 0.452 178 H N -1.404 117.633 119.070 -0.055 0.000 2.353 178 H HA -0.313 4.223 4.556 -0.034 0.000 0.300 178 H C 1.561 176.865 175.328 -0.040 0.000 1.090 178 H CA 2.449 58.474 56.048 -0.040 0.000 1.327 178 H CB 0.222 29.965 29.762 -0.032 0.000 1.383 178 H HN 0.041 8.403 8.280 0.137 0.000 0.508 179 S N -2.111 113.575 115.700 -0.024 0.000 2.378 179 S HA -0.247 4.138 4.470 -0.142 0.000 0.221 179 S C 0.032 174.578 174.600 -0.091 0.000 1.037 179 S CA 2.324 60.469 58.200 -0.091 0.000 1.069 179 S CB 0.393 63.555 63.200 -0.064 0.000 1.006 179 S HN -0.074 8.253 8.310 0.028 0.000 0.423 180 S N 0.598 116.258 115.700 -0.066 0.000 2.546 180 S HA -0.180 4.257 4.470 -0.055 0.000 0.290 180 S C 0.148 174.720 174.600 -0.047 0.000 1.262 180 S CA 0.513 58.678 58.200 -0.058 0.000 1.083 180 S CB 0.658 63.819 63.200 -0.065 0.000 0.859 180 S HN -0.646 7.672 8.310 -0.064 -0.046 0.495 181 A N 5.723 128.517 122.820 -0.044 0.000 1.873 181 A HA -0.264 4.032 4.320 -0.041 0.000 0.215 181 A C 1.978 179.550 177.584 -0.021 0.000 1.186 181 A CA 2.519 54.535 52.037 -0.035 0.000 0.616 181 A CB -0.119 18.861 19.000 -0.034 0.000 0.823 181 A HN 0.425 8.551 8.150 -0.040 0.000 0.442 182 R N -2.272 118.215 120.500 -0.022 0.000 2.185 182 R HA -0.381 3.948 4.340 -0.018 0.000 0.247 182 R C 1.987 178.277 176.300 -0.018 0.000 1.159 182 R CA 2.940 59.028 56.100 -0.020 0.000 0.988 182 R CB -0.726 29.559 30.300 -0.026 0.000 0.871 182 R HN 0.423 8.680 8.270 -0.022 0.000 0.458 183 G N -1.809 106.979 108.800 -0.019 0.000 2.408 183 G HA2 -0.163 3.789 3.960 -0.013 0.000 0.217 183 G HA3 -0.163 3.786 3.960 -0.018 0.000 0.217 183 G C 0.847 175.747 174.900 0.001 0.000 1.150 183 G CA 1.737 46.830 45.100 -0.013 0.000 0.776 183 G HN -0.550 7.571 8.290 -0.025 0.154 0.542 184 L N -1.224 120.004 121.223 0.007 0.000 2.446 184 L HA -0.080 4.273 4.340 0.022 0.000 0.219 184 L C 1.503 178.378 176.870 0.008 0.000 1.116 184 L CA 1.899 56.750 54.840 0.019 0.000 0.844 184 L CB -0.198 41.885 42.059 0.039 0.000 0.970 184 L HN 0.006 8.123 8.230 0.001 0.114 0.457 185 K N 0.029 120.428 120.400 -0.001 0.000 2.044 185 K HA -0.144 4.173 4.320 -0.005 0.000 0.204 185 K C 1.184 177.779 176.600 -0.008 0.000 1.049 185 K CA 2.035 58.318 56.287 -0.007 0.000 0.945 185 K CB 0.503 32.995 32.500 -0.014 0.000 0.724 185 K HN -0.071 8.010 8.250 -0.005 0.166 0.440 186 A N -3.877 118.938 122.820 -0.008 0.000 1.935 186 A HA -0.019 4.295 4.320 -0.010 0.000 0.214 186 A C -0.210 177.373 177.584 -0.003 0.000 1.178 186 A CA 0.551 52.583 52.037 -0.008 0.000 0.640 186 A CB 1.316 20.311 19.000 -0.009 0.000 0.825 186 A HN 0.066 8.105 8.150 -0.009 0.106 0.447 187 G N -1.984 106.817 108.800 0.001 0.000 3.030 187 G HA2 -0.144 3.847 3.960 0.006 0.000 0.233 187 G HA3 -0.144 3.818 3.960 0.003 0.000 0.233 187 G C -0.080 174.825 174.900 0.008 0.000 1.091 187 G CA -0.137 44.965 45.100 0.004 0.000 1.113 187 G HN -0.469 7.708 8.290 0.000 0.113 0.556 188 L N 0.649 121.877 121.223 0.010 0.000 2.249 188 L HA 0.118 4.476 4.340 0.029 0.000 0.207 188 L C 0.550 177.433 176.870 0.021 0.000 1.090 188 L CA 0.739 55.591 54.840 0.021 0.000 0.802 188 L CB 0.342 42.411 42.059 0.018 0.000 0.947 188 L HN 0.210 8.326 8.230 0.006 0.117 0.453 189 E N -3.530 116.674 120.200 0.007 0.000 2.805 189 E HA -0.432 3.916 4.350 -0.004 0.000 0.266 189 E C -1.746 174.851 176.600 -0.006 0.000 1.092 189 E CA 1.228 57.628 56.400 0.000 0.000 0.781 189 E CB -1.292 28.409 29.700 0.002 0.000 1.379 189 E HN 0.009 8.372 8.360 0.006 0.000 0.433 190 R N -6.694 113.795 120.500 -0.017 0.000 4.832 190 R HA -0.030 4.248 4.340 -0.103 0.000 0.291 190 R C -2.344 173.895 176.300 -0.102 0.000 0.767 190 R CA -0.172 55.893 56.100 -0.059 0.000 1.276 190 R CB 0.007 30.306 30.300 -0.001 0.000 1.426 190 R HN -0.544 7.667 8.270 -0.016 0.049 0.586 191 M N -2.226 117.195 119.600 -0.298 0.000 2.520 191 M HA 0.350 4.324 4.480 -0.844 0.000 0.280 191 M C -2.759 173.162 176.300 -0.631 0.000 1.232 191 M CA -1.282 53.734 55.300 -0.473 0.000 0.892 191 M CB 3.910 36.462 32.600 -0.080 0.000 1.728 191 M HN -0.558 7.572 8.290 -0.266 0.000 0.475 192 D N 0.203 120.123 120.400 -0.799 0.000 2.317 192 D HA -0.025 4.303 4.640 -0.520 0.000 0.252 192 D C -1.549 174.560 176.300 -0.320 0.000 1.174 192 D CA -0.387 53.307 54.000 -0.510 0.000 0.866 192 D CB 0.849 41.435 40.800 -0.356 0.000 1.127 192 D HN 0.080 7.901 8.370 -0.913 0.000 0.467 193 E N 6.720 126.734 120.200 -0.311 0.000 2.114 193 E HA 0.267 4.577 4.350 -0.191 -0.075 0.266 193 E C -1.651 174.786 176.600 -0.273 0.000 0.896 193 E CA -1.525 54.734 56.400 -0.235 0.000 0.750 193 E CB 2.136 31.733 29.700 -0.172 0.000 1.121 193 E HN 0.008 8.181 8.360 -0.312 0.000 0.413 194 H N 5.623 124.563 119.070 -0.217 0.000 2.482 194 H HA 0.107 4.504 4.556 -0.266 0.000 0.344 194 H C -0.777 174.205 175.328 -0.577 0.000 1.151 194 H CA 0.505 56.340 56.048 -0.355 0.000 1.300 194 H CB 2.692 32.261 29.762 -0.321 0.000 1.494 194 H HN 0.325 8.429 8.280 -0.122 0.103 0.542 195 V N -0.481 119.093 119.914 -0.566 0.000 3.049 195 V HA 0.392 4.281 4.120 -0.641 -0.154 0.309 195 V C -2.049 173.617 176.094 -0.714 0.000 1.148 195 V CA -1.183 60.751 62.300 -0.609 0.000 0.990 195 V CB 4.407 36.055 31.823 -0.292 0.000 1.039 195 V HN 0.812 8.760 8.190 -0.404 0.000 0.430 196 Y N 1.407 121.597 120.300 -0.184 0.000 2.330 196 Y HA 0.654 5.369 4.550 -0.140 -0.249 0.324 196 Y C -1.217 174.509 175.900 -0.290 0.000 1.093 196 Y CA -2.243 55.740 58.100 -0.195 0.000 1.103 196 Y CB 2.726 41.078 38.460 -0.180 0.000 1.183 196 Y HN 0.646 8.713 8.280 -0.354 0.000 0.433 197 V N 5.418 125.246 119.914 -0.142 0.000 2.405 197 V HA 0.039 3.948 4.120 -0.352 0.000 0.264 197 V C -1.437 174.582 176.094 -0.126 0.000 1.048 197 V CA -0.612 61.539 62.300 -0.248 0.000 0.966 197 V CB 0.362 32.007 31.823 -0.297 0.000 1.015 197 V HN 0.373 8.532 8.190 -0.051 0.000 0.477 198 L N 7.938 129.074 121.223 -0.145 0.000 2.295 198 L HA 0.483 4.972 4.340 -0.092 -0.204 0.281 198 L C -1.199 175.724 176.870 0.087 0.000 1.018 198 L CA -1.848 52.944 54.840 -0.080 0.000 0.841 198 L CB 0.141 42.050 42.059 -0.250 0.000 1.218 198 L HN 0.918 8.932 8.230 -0.197 0.099 0.424 199 E N 4.225 124.492 120.200 0.112 0.000 1.996 199 E HA 0.046 4.468 4.350 0.121 0.000 0.280 199 E C -0.796 175.941 176.600 0.229 0.000 1.092 199 E CA -0.556 55.928 56.400 0.140 0.000 0.862 199 E CB 1.072 30.823 29.700 0.085 0.000 1.066 199 E HN 0.071 8.400 8.360 0.077 0.078 0.396 200 R N 7.985 128.659 120.500 0.291 0.000 2.402 200 R HA -0.107 4.544 4.340 0.323 -0.117 0.331 200 R C -0.508 175.867 176.300 0.125 0.000 1.040 200 R CA 0.357 56.614 56.100 0.262 0.000 0.980 200 R CB -0.763 29.702 30.300 0.276 0.000 0.967 200 R HN 0.279 8.734 8.270 0.309 0.000 0.440 201 V N 0.000 119.965 119.914 0.085 0.000 2.409 201 V HA 0.000 4.144 4.120 0.040 0.000 0.244 201 V CA 0.000 62.322 62.300 0.037 0.000 1.235 201 V CB 0.000 31.845 31.823 0.037 0.000 1.184 201 V HN 0.000 8.250 8.190 0.100 0.000 0.556