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 1bf8_11_A DATA FIRST_RESID 1 DATA SEQUENCE GVALGATRVI YPAGQKQEQL AVTNNDENST YLIQSWVENA DGVKDGRFIV DATA SEQUENCE TPPLFAMKGK KENTLRILDA TNNQLPQDRE SLFWMNVKAI PSMDKSKLTE DATA SEQUENCE NTLQLAIISR IKLYYRPAKL ALPPDQAAEK LRFRRSANSL TLINPTPYYL DATA SEQUENCE TVTELNAGTR VLENALVPPM GESTVKLPSD AGSNITYRTI NDYGALTPKM DATA SEQUENCE TGVME 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.932 3.960 -0.047 0.000 0.244 1 G C 0.000 174.802 174.900 -0.163 0.000 0.946 1 G CA 0.000 45.061 45.100 -0.066 0.000 0.502 2 V N -0.881 118.886 119.914 -0.245 0.000 2.963 2 V HA -0.143 3.954 4.120 -0.278 -0.144 0.306 2 V C -0.189 175.814 176.094 -0.152 0.000 1.077 2 V CA 1.072 63.222 62.300 -0.251 0.000 1.124 2 V CB -0.031 31.621 31.823 -0.285 0.000 0.987 2 V HN 0.372 8.430 8.190 -0.220 0.000 0.487 3 A N 4.845 127.587 122.820 -0.130 0.000 2.287 3 A HA 0.232 4.491 4.320 -0.102 0.000 0.214 3 A C -0.879 176.642 177.584 -0.104 0.000 1.228 3 A CA -0.521 51.454 52.037 -0.104 0.000 0.939 3 A CB 2.058 21.008 19.000 -0.084 0.000 0.992 3 A HN 0.507 8.577 8.150 -0.134 0.000 0.502 4 L N -5.086 116.076 121.223 -0.103 0.000 0.591 4 L HA -0.591 3.762 4.340 -0.076 -0.058 0.356 4 L C 1.796 178.616 176.870 -0.083 0.000 1.007 4 L CA 0.294 55.078 54.840 -0.093 0.000 1.223 4 L CB -0.536 41.453 42.059 -0.115 0.000 0.022 4 L HN -0.503 7.663 8.230 -0.106 0.000 0.093 5 G N -1.049 107.705 108.800 -0.077 0.000 2.475 5 G HA2 -0.350 3.572 3.960 -0.062 0.000 0.220 5 G HA3 -0.350 3.564 3.960 -0.077 0.000 0.220 5 G C -1.079 173.771 174.900 -0.083 0.000 1.125 5 G CA 1.607 46.662 45.100 -0.074 0.000 0.755 5 G HN 0.563 8.723 8.290 -0.073 0.086 0.565 6 A N -3.440 119.320 122.820 -0.100 0.000 2.586 6 A HA 0.221 4.487 4.320 -0.089 0.000 0.290 6 A C -1.506 176.003 177.584 -0.126 0.000 1.086 6 A CA -0.424 51.550 52.037 -0.104 0.000 0.665 6 A CB 0.919 19.855 19.000 -0.107 0.000 1.279 6 A HN -0.697 7.357 8.150 -0.108 0.030 0.423 7 T N -0.185 114.292 114.554 -0.128 0.000 3.148 7 T HA -0.013 4.238 4.350 -0.165 0.000 0.253 7 T C -0.693 173.888 174.700 -0.199 0.000 1.134 7 T CA 0.781 62.787 62.100 -0.157 0.000 1.051 7 T CB 0.363 69.151 68.868 -0.134 0.000 0.959 7 T HN 0.104 8.278 8.240 -0.110 0.000 0.525 8 R N -2.394 117.992 120.500 -0.189 0.000 2.781 8 R HA 0.429 4.689 4.340 -0.277 -0.085 0.269 8 R C -1.578 174.604 176.300 -0.196 0.000 1.025 8 R CA -1.778 54.183 56.100 -0.232 0.000 0.914 8 R CB 2.565 32.714 30.300 -0.253 0.000 1.236 8 R HN -0.797 7.298 8.270 -0.159 0.079 0.465 9 V N -1.227 118.562 119.914 -0.207 0.000 3.007 9 V HA 0.311 4.351 4.120 -0.135 0.000 0.311 9 V C -1.758 174.277 176.094 -0.099 0.000 1.120 9 V CA -1.071 61.140 62.300 -0.148 0.000 0.980 9 V CB 4.543 36.277 31.823 -0.148 0.000 1.033 9 V HN 0.712 8.745 8.190 -0.261 0.000 0.429 10 I N 1.173 121.745 120.570 0.004 0.000 2.534 10 I HA 0.237 4.655 4.170 0.202 -0.127 0.288 10 I C -1.683 174.581 176.117 0.245 0.000 1.077 10 I CA -0.478 60.916 61.300 0.157 0.000 1.051 10 I CB 3.539 41.651 38.000 0.187 0.000 1.234 10 I HN 0.034 8.231 8.210 -0.022 0.000 0.425 11 Y N 9.283 129.712 120.300 0.215 0.000 2.944 11 Y HA 0.444 5.108 4.550 0.190 0.000 0.335 11 Y C -2.977 173.101 175.900 0.297 0.000 1.075 11 Y CA -4.556 53.708 58.100 0.273 0.000 1.240 11 Y CB 1.652 40.330 38.460 0.364 0.000 1.167 11 Y HN 0.912 9.382 8.280 0.498 0.109 0.555 12 P HA 0.174 4.849 4.420 0.181 -0.147 0.265 12 P C -1.188 176.313 177.300 0.336 0.000 1.222 12 P CA -0.708 62.558 63.100 0.277 0.000 0.767 12 P CB -0.284 31.549 31.700 0.221 0.000 0.801 13 A N 5.907 128.810 122.820 0.139 0.000 2.466 13 A HA 0.043 4.440 4.320 0.129 0.000 0.238 13 A C -0.031 177.683 177.584 0.217 0.000 1.074 13 A CA 1.016 53.108 52.037 0.092 0.000 0.774 13 A CB 0.726 19.591 19.000 -0.224 0.000 1.015 13 A HN 0.537 8.580 8.150 -0.002 0.106 0.498 14 G N -1.536 107.455 108.800 0.317 0.000 4.658 14 G HA2 0.143 4.193 3.960 0.150 0.000 0.279 14 G HA3 0.143 4.250 3.960 0.245 0.000 0.279 14 G C -0.543 174.469 174.900 0.186 0.000 0.997 14 G CA -0.205 45.031 45.100 0.226 0.000 0.765 14 G HN 0.088 8.643 8.290 0.440 0.000 0.442 15 Q N -1.688 118.208 119.800 0.160 0.000 2.358 15 Q HA -0.441 3.964 4.340 0.108 0.000 0.318 15 Q C -1.115 174.956 176.000 0.118 0.000 1.243 15 Q CA 1.325 57.195 55.803 0.111 0.000 0.949 15 Q CB -1.293 27.478 28.738 0.055 0.000 1.224 15 Q HN 0.188 8.533 8.270 0.126 0.000 0.473 16 K N -3.363 117.149 120.400 0.186 0.000 2.877 16 K HA 0.129 4.501 4.320 0.087 0.000 0.284 16 K C -2.472 174.223 176.600 0.159 0.000 2.569 16 K CA 0.442 56.808 56.287 0.132 0.000 1.382 16 K CB 1.462 34.020 32.500 0.097 0.000 2.864 16 K HN -0.323 8.102 8.250 0.307 0.009 0.376 17 Q N -3.246 116.632 119.800 0.129 0.000 2.590 17 Q HA 0.354 4.822 4.340 0.046 -0.100 0.295 17 Q C -2.466 173.376 176.000 -0.264 0.000 0.973 17 Q CA -1.018 54.776 55.803 -0.015 0.000 0.768 17 Q CB 3.956 32.675 28.738 -0.030 0.000 1.479 17 Q HN -0.074 8.269 8.270 0.122 0.000 0.419 18 E N 0.264 120.121 120.200 -0.572 0.000 2.431 18 E HA 0.360 4.463 4.350 -0.412 0.000 0.268 18 E C -2.109 174.300 176.600 -0.318 0.000 0.953 18 E CA -2.492 53.536 56.400 -0.619 0.000 0.810 18 E CB 4.424 33.305 29.700 -1.365 0.000 1.369 18 E HN 0.550 8.507 8.360 -0.479 0.115 0.440 19 Q N -2.471 117.190 119.800 -0.231 0.000 2.386 19 Q HA 0.633 5.077 4.340 -0.121 -0.176 0.274 19 Q C -2.052 173.875 176.000 -0.120 0.000 1.011 19 Q CA -1.255 54.465 55.803 -0.139 0.000 0.867 19 Q CB 3.452 32.128 28.738 -0.103 0.000 1.409 19 Q HN 0.199 8.327 8.270 -0.237 0.000 0.395 20 L N 2.419 123.589 121.223 -0.088 0.000 2.404 20 L HA 0.409 4.691 4.340 -0.096 0.000 0.272 20 L C -2.047 174.798 176.870 -0.042 0.000 0.980 20 L CA -1.577 53.214 54.840 -0.081 0.000 0.836 20 L CB 3.197 45.197 42.059 -0.097 0.000 1.238 20 L HN 0.572 8.762 8.230 -0.066 0.000 0.408 21 A N 6.604 129.396 122.820 -0.048 0.000 2.483 21 A HA -0.096 4.215 4.320 -0.015 0.000 0.238 21 A C -1.317 176.263 177.584 -0.006 0.000 1.070 21 A CA 0.183 52.204 52.037 -0.026 0.000 0.770 21 A CB 0.526 19.502 19.000 -0.040 0.000 1.008 21 A HN 0.466 8.576 8.150 -0.066 0.000 0.497 22 V N 3.118 123.056 119.914 0.040 0.000 2.398 22 V HA 0.315 4.433 4.120 -0.004 0.000 0.286 22 V C -1.126 174.974 176.094 0.010 0.000 1.026 22 V CA -1.214 61.114 62.300 0.046 0.000 0.868 22 V CB 1.199 33.133 31.823 0.185 0.000 0.982 22 V HN -0.345 7.872 8.190 0.045 0.000 0.443 23 T N 3.793 118.328 114.554 -0.032 0.000 2.903 23 T HA 0.497 4.997 4.350 -0.027 -0.166 0.299 23 T C -1.300 173.350 174.700 -0.082 0.000 1.093 23 T CA -2.317 59.757 62.100 -0.044 0.000 1.002 23 T CB 3.419 72.262 68.868 -0.042 0.000 1.127 23 T HN 0.159 8.367 8.240 -0.054 0.000 0.488 24 N N 0.972 119.617 118.700 -0.091 0.000 2.457 24 N HA 0.239 4.867 4.740 -0.186 0.000 0.290 24 N C -0.641 174.815 175.510 -0.090 0.000 1.232 24 N CA -1.675 51.288 53.050 -0.145 0.000 0.852 24 N CB 3.284 41.653 38.487 -0.197 0.000 1.313 24 N HN 0.267 8.611 8.380 -0.061 0.000 0.522 25 N N 0.533 119.180 118.700 -0.088 0.000 2.197 25 N HA -0.090 4.629 4.740 -0.036 0.000 0.184 25 N C -0.313 175.190 175.510 -0.013 0.000 1.030 25 N CA 1.828 54.853 53.050 -0.042 0.000 0.851 25 N CB 1.440 39.907 38.487 -0.033 0.000 1.003 25 N HN -0.214 8.091 8.380 -0.124 0.000 0.430 26 D N -3.122 117.281 120.400 0.004 0.000 2.368 26 D HA -0.064 4.609 4.640 0.055 0.000 0.240 26 D C -0.247 176.103 176.300 0.082 0.000 1.169 26 D CA 0.351 54.392 54.000 0.069 0.000 0.906 26 D CB 1.269 42.164 40.800 0.159 0.000 1.187 26 D HN -0.543 7.926 8.370 -0.028 -0.115 0.435 27 E N 0.395 120.647 120.200 0.087 0.000 2.603 27 E HA -0.034 4.444 4.350 0.086 -0.077 0.224 27 E C -0.180 176.466 176.600 0.077 0.000 0.896 27 E CA 0.172 56.618 56.400 0.076 0.000 1.224 27 E CB 1.257 30.983 29.700 0.044 0.000 1.206 27 E HN 0.202 8.610 8.360 0.080 0.000 0.576 28 N N 0.514 119.260 118.700 0.076 0.000 2.051 28 N HA -0.121 4.640 4.740 0.036 0.000 0.192 28 N C 0.139 175.673 175.510 0.041 0.000 1.049 28 N CA 2.731 55.810 53.050 0.048 0.000 0.845 28 N CB 0.897 39.405 38.487 0.036 0.000 1.031 28 N HN -0.110 8.803 8.380 0.088 -0.481 0.425 29 S N -1.636 114.090 115.700 0.044 0.000 2.614 29 S HA 0.078 4.505 4.470 -0.072 0.000 0.265 29 S C -1.125 173.488 174.600 0.022 0.000 1.303 29 S CA 0.832 58.999 58.200 -0.056 0.000 1.000 29 S CB 1.586 64.630 63.200 -0.260 0.000 0.935 29 S HN -0.276 8.424 8.310 0.091 -0.334 0.551 30 T N 1.741 116.257 114.554 -0.064 0.000 2.918 30 T HA 0.347 4.879 4.350 0.213 -0.055 0.286 30 T C -1.324 173.328 174.700 -0.080 0.000 1.026 30 T CA -0.682 61.450 62.100 0.054 0.000 1.031 30 T CB 1.951 70.844 68.868 0.042 0.000 1.046 30 T HN 0.053 8.197 8.240 -0.161 0.000 0.479 31 Y N 2.932 123.258 120.300 0.043 0.000 2.536 31 Y HA 0.436 5.167 4.550 0.019 -0.170 0.347 31 Y C -1.590 174.330 175.900 0.032 0.000 1.000 31 Y CA -1.410 56.707 58.100 0.029 0.000 1.051 31 Y CB 4.413 42.886 38.460 0.022 0.000 1.259 31 Y HN 0.789 9.271 8.280 0.337 0.000 0.468 32 L N 2.465 123.776 121.223 0.146 0.000 2.270 32 L HA 0.524 5.066 4.340 0.065 -0.163 0.286 32 L C -1.540 175.326 176.870 -0.005 0.000 1.059 32 L CA -1.515 53.361 54.840 0.060 0.000 0.839 32 L CB 0.085 42.166 42.059 0.035 0.000 1.221 32 L HN 0.880 9.082 8.230 0.141 0.113 0.431 33 I N 8.093 128.548 120.570 -0.191 0.000 2.496 33 I HA 0.117 4.356 4.170 -0.186 -0.181 0.285 33 I C -1.724 174.172 176.117 -0.369 0.000 1.080 33 I CA -0.031 61.035 61.300 -0.389 0.000 1.404 33 I CB 1.035 38.547 38.000 -0.812 0.000 1.403 33 I HN 0.984 9.052 8.210 -0.236 0.000 0.539 34 Q N 8.872 128.584 119.800 -0.147 0.000 2.337 34 Q HA 0.464 4.894 4.340 -0.068 -0.131 0.264 34 Q C -1.613 174.450 176.000 0.106 0.000 1.007 34 Q CA -1.336 54.472 55.803 0.008 0.000 0.727 34 Q CB 2.797 31.612 28.738 0.128 0.000 1.256 34 Q HN 0.990 9.211 8.270 -0.081 0.000 0.467 35 S N 7.931 123.640 115.700 0.014 0.000 2.601 35 S HA 0.771 5.343 4.470 -0.175 -0.207 0.271 35 S C -0.832 173.926 174.600 0.263 0.000 1.305 35 S CA -0.882 57.313 58.200 -0.008 0.000 1.022 35 S CB 1.640 64.804 63.200 -0.062 0.000 0.940 35 S HN 0.394 8.693 8.310 -0.019 0.000 0.525 36 W N 1.376 122.660 121.300 -0.026 0.000 3.025 36 W HA 0.283 4.945 4.660 0.003 0.000 0.343 36 W C -3.291 173.225 176.519 -0.005 0.000 1.246 36 W CA -1.465 55.878 57.345 -0.003 0.000 1.178 36 W CB 1.622 31.087 29.460 0.007 0.000 1.463 36 W HN 0.511 8.471 8.180 -0.367 0.000 0.578 37 V N 0.261 120.242 119.914 0.111 0.000 2.628 37 V HA 0.721 4.936 4.120 -0.165 -0.194 0.306 37 V C -0.442 175.776 176.094 0.207 0.000 1.045 37 V CA -1.771 60.522 62.300 -0.012 0.000 0.905 37 V CB 2.434 34.160 31.823 -0.163 0.000 0.997 37 V HN 0.480 8.847 8.190 0.296 0.000 0.436 38 E N 3.555 123.872 120.200 0.195 0.000 2.244 38 E HA 0.434 5.056 4.350 0.271 -0.109 0.266 38 E C -1.217 175.573 176.600 0.318 0.000 0.914 38 E CA -2.091 54.452 56.400 0.238 0.000 0.794 38 E CB 3.589 33.371 29.700 0.138 0.000 1.210 38 E HN 0.634 9.073 8.360 0.133 0.000 0.414 39 N N 1.435 120.308 118.700 0.288 0.000 2.344 39 N HA -0.261 4.451 4.740 -0.046 0.000 0.236 39 N C 1.471 176.911 175.510 -0.116 0.000 1.279 39 N CA 0.695 53.796 53.050 0.085 0.000 0.882 39 N CB 1.145 39.684 38.487 0.086 0.000 1.110 39 N HN 0.667 9.062 8.380 0.215 0.114 0.436 40 A N 1.972 124.667 122.820 -0.208 0.000 2.042 40 A HA -0.319 3.970 4.320 -0.053 0.000 0.222 40 A C 0.137 177.564 177.584 -0.261 0.000 1.167 40 A CA 2.841 54.788 52.037 -0.151 0.000 0.649 40 A CB -0.365 18.598 19.000 -0.062 0.000 0.809 40 A HN -0.010 7.920 8.150 -0.366 0.000 0.457 41 D N -3.973 116.311 120.400 -0.195 0.000 2.349 41 D HA -0.080 4.467 4.640 -0.155 0.000 0.224 41 D C 1.197 177.357 176.300 -0.234 0.000 1.029 41 D CA -0.273 53.626 54.000 -0.168 0.000 0.879 41 D CB 0.035 40.785 40.800 -0.083 0.000 0.906 41 D HN -0.551 7.853 8.370 -0.144 -0.120 0.528 42 G N -1.297 107.309 108.800 -0.324 0.000 2.143 42 G HA2 -0.439 3.432 3.960 -0.366 0.000 0.249 42 G HA3 -0.439 3.342 3.960 -0.298 0.000 0.249 42 G C -0.812 174.032 174.900 -0.094 0.000 0.981 42 G CA 0.331 45.262 45.100 -0.282 0.000 0.665 42 G HN 0.027 7.913 8.290 -0.353 0.192 0.528 43 V N 1.800 121.688 119.914 -0.044 0.000 2.427 43 V HA -0.164 3.963 4.120 0.012 0.000 0.268 43 V C -0.741 175.408 176.094 0.091 0.000 1.046 43 V CA -0.006 62.308 62.300 0.023 0.000 0.970 43 V CB 0.682 32.522 31.823 0.030 0.000 1.001 43 V HN -0.663 7.443 8.190 -0.068 0.043 0.476 44 K N 8.700 129.163 120.400 0.104 0.000 2.262 44 K HA -0.043 4.560 4.320 0.236 -0.142 0.288 44 K C -1.338 175.344 176.600 0.137 0.000 1.090 44 K CA -0.519 55.867 56.287 0.165 0.000 0.918 44 K CB -0.185 32.398 32.500 0.139 0.000 1.139 44 K HN 0.340 8.628 8.250 0.064 0.000 0.462 45 D N 5.691 126.197 120.400 0.177 0.000 2.185 45 D HA 0.099 4.807 4.640 0.113 0.000 0.247 45 D C 0.773 177.160 176.300 0.144 0.000 1.027 45 D CA -0.681 53.411 54.000 0.154 0.000 0.861 45 D CB 3.008 43.927 40.800 0.198 0.000 1.202 45 D HN -0.404 8.103 8.370 0.230 0.000 0.453 46 G N 1.173 110.031 108.800 0.096 0.000 3.375 46 G HA2 0.011 4.023 3.960 0.087 0.000 0.247 46 G HA3 0.011 4.002 3.960 0.051 0.000 0.247 46 G C 0.089 175.014 174.900 0.042 0.000 1.343 46 G CA 0.321 45.463 45.100 0.071 0.000 1.368 46 G HN 0.439 8.778 8.290 0.081 0.000 0.549 47 R N -2.468 118.059 120.500 0.046 0.000 2.334 47 R HA 0.180 4.608 4.340 -0.102 -0.149 0.212 47 R C -1.539 174.611 176.300 -0.251 0.000 0.897 47 R CA -0.046 56.003 56.100 -0.084 0.000 1.056 47 R CB 1.649 31.911 30.300 -0.063 0.000 1.046 47 R HN -0.296 7.919 8.270 0.111 0.122 0.513 48 F N -2.105 117.772 119.950 -0.123 0.000 2.653 48 F HA 0.230 4.654 4.527 -0.171 0.000 0.327 48 F C -1.329 174.437 175.800 -0.055 0.000 1.195 48 F CA -0.079 57.831 58.000 -0.149 0.000 0.993 48 F CB 3.329 42.191 39.000 -0.230 0.000 1.259 48 F HN -0.834 7.560 8.300 0.156 0.000 0.478 49 I N 7.687 128.334 120.570 0.128 0.000 2.537 49 I HA 0.159 4.395 4.170 0.109 0.000 0.276 49 I C -1.290 174.881 176.117 0.090 0.000 1.063 49 I CA -0.835 60.520 61.300 0.092 0.000 1.144 49 I CB 1.306 39.333 38.000 0.046 0.000 1.252 49 I HN 0.248 8.504 8.210 0.077 0.000 0.480 50 V N 7.730 127.706 119.914 0.102 0.000 2.834 50 V HA 0.199 4.539 4.120 0.084 -0.169 0.301 50 V C -0.087 176.058 176.094 0.085 0.000 1.066 50 V CA -0.427 61.926 62.300 0.088 0.000 1.052 50 V CB 1.157 33.024 31.823 0.072 0.000 1.021 50 V HN 0.271 8.529 8.190 0.114 0.000 0.480 51 T N 8.294 122.896 114.554 0.081 0.000 2.840 51 T HA 0.388 4.793 4.350 0.091 0.000 0.287 51 T C -2.496 172.271 174.700 0.111 0.000 0.991 51 T CA -2.561 59.588 62.100 0.082 0.000 0.964 51 T CB 1.816 70.713 68.868 0.049 0.000 0.954 51 T HN 0.445 8.725 8.240 0.068 0.000 0.438 52 P HA 0.234 4.734 4.420 0.133 0.000 0.270 52 P C -1.709 175.704 177.300 0.188 0.000 1.223 52 P CA -1.055 62.167 63.100 0.203 0.000 0.785 52 P CB -0.255 31.637 31.700 0.319 0.000 0.923 53 P HA -0.149 4.367 4.420 0.098 -0.037 0.218 53 P C -1.019 176.318 177.300 0.060 0.000 1.152 53 P CA 1.576 64.735 63.100 0.098 0.000 0.826 53 P CB 0.712 32.465 31.700 0.088 0.000 0.790 54 L N -8.162 113.097 121.223 0.060 0.000 2.415 54 L HA 0.966 5.305 4.340 -0.219 -0.130 0.256 54 L C -1.965 174.968 176.870 0.105 0.000 1.010 54 L CA -2.518 52.300 54.840 -0.037 0.000 0.826 54 L CB 4.416 46.469 42.059 -0.010 0.000 1.405 54 L HN -1.062 7.233 8.230 0.109 0.000 0.410 55 F N -3.491 116.488 119.950 0.047 0.000 2.678 55 F HA 0.413 4.961 4.527 0.034 0.000 0.308 55 F C -2.435 173.394 175.800 0.048 0.000 1.118 55 F CA -1.818 56.206 58.000 0.038 0.000 0.959 55 F CB 2.252 41.269 39.000 0.028 0.000 1.305 55 F HN 0.624 8.696 8.300 -0.380 0.000 0.443 56 A N 2.155 125.166 122.820 0.319 0.000 2.388 56 A HA 0.598 5.221 4.320 0.209 -0.178 0.257 56 A C -1.502 176.304 177.584 0.369 0.000 1.095 56 A CA -0.504 51.688 52.037 0.258 0.000 0.791 56 A CB 0.653 19.741 19.000 0.146 0.000 1.029 56 A HN 0.481 8.799 8.150 0.279 0.000 0.489 57 M N 3.119 122.919 119.600 0.333 0.000 2.658 57 M HA 0.335 4.922 4.480 0.178 0.000 0.295 57 M C -1.718 174.700 176.300 0.196 0.000 1.248 57 M CA -1.005 54.454 55.300 0.264 0.000 0.843 57 M CB 4.189 37.006 32.600 0.362 0.000 1.749 57 M HN 0.804 9.161 8.290 0.285 0.104 0.464 58 K N 1.433 121.915 120.400 0.136 0.000 2.118 58 K HA 0.269 4.668 4.320 0.132 0.000 0.264 58 K C 0.387 177.068 176.600 0.136 0.000 1.000 58 K CA -0.433 55.926 56.287 0.120 0.000 0.929 58 K CB 1.353 33.894 32.500 0.068 0.000 1.021 58 K HN 0.188 8.500 8.250 0.103 0.000 0.463 59 G N 0.633 109.527 108.800 0.157 0.000 2.604 59 G HA2 -0.267 3.785 3.960 0.154 0.000 0.216 59 G HA3 -0.267 3.877 3.960 0.163 -0.086 0.216 59 G C -0.228 174.705 174.900 0.055 0.000 1.265 59 G CA 1.500 46.684 45.100 0.140 0.000 0.804 59 G HN 0.078 8.462 8.290 0.156 0.000 0.579 60 K N 1.114 121.541 120.400 0.045 0.000 2.111 60 K HA -0.002 4.322 4.320 0.008 0.000 0.249 60 K C -1.073 175.537 176.600 0.016 0.000 1.157 60 K CA 0.326 56.625 56.287 0.020 0.000 1.048 60 K CB -1.348 31.163 32.500 0.018 0.000 1.498 60 K HN -0.038 8.245 8.250 0.055 0.000 0.344 61 K N 2.196 122.604 120.400 0.012 0.000 2.556 61 K HA 0.225 4.544 4.320 -0.003 0.000 0.289 61 K C -2.740 173.857 176.600 -0.005 0.000 1.040 61 K CA -1.100 55.190 56.287 0.004 0.000 0.894 61 K CB 3.385 35.893 32.500 0.014 0.000 1.547 61 K HN -0.204 8.029 8.250 0.008 0.022 0.417 62 E N -0.556 119.632 120.200 -0.020 0.000 2.343 62 E HA 0.683 5.261 4.350 -0.008 -0.233 0.270 62 E C -1.267 175.290 176.600 -0.071 0.000 0.895 62 E CA -1.627 54.756 56.400 -0.028 0.000 0.767 62 E CB 3.323 33.002 29.700 -0.034 0.000 1.248 62 E HN 0.082 8.424 8.360 -0.029 0.000 0.440 63 N N 4.510 123.157 118.700 -0.089 0.000 2.599 63 N HA 0.245 4.824 4.740 -0.268 0.000 0.283 63 N C -0.720 174.705 175.510 -0.141 0.000 1.160 63 N CA 0.323 53.210 53.050 -0.271 0.000 0.869 63 N CB 2.246 40.307 38.487 -0.709 0.000 1.448 63 N HN 0.028 8.397 8.380 -0.017 0.000 0.535 64 T N 5.574 120.059 114.554 -0.115 0.000 2.918 64 T HA 0.040 4.549 4.350 0.008 -0.154 0.302 64 T C -0.234 174.471 174.700 0.009 0.000 1.045 64 T CA 1.372 63.451 62.100 -0.035 0.000 1.114 64 T CB 0.778 69.614 68.868 -0.053 0.000 0.965 64 T HN -0.061 8.146 8.240 -0.141 -0.051 0.540 65 L N 5.101 126.374 121.223 0.083 0.000 2.307 65 L HA 0.118 4.679 4.340 0.180 -0.113 0.282 65 L C -0.643 176.238 176.870 0.019 0.000 1.051 65 L CA -0.632 54.276 54.840 0.113 0.000 0.804 65 L CB 1.477 43.597 42.059 0.101 0.000 1.197 65 L HN 0.707 8.848 8.230 0.047 0.117 0.431 66 R N 2.732 123.244 120.500 0.020 0.000 2.215 66 R HA 0.306 4.742 4.340 -0.048 -0.125 0.337 66 R C -0.718 175.579 176.300 -0.005 0.000 1.010 66 R CA -1.077 55.014 56.100 -0.015 0.000 0.871 66 R CB 0.140 30.436 30.300 -0.008 0.000 1.134 66 R HN 0.844 9.033 8.270 0.053 0.113 0.477 67 I N 6.031 126.574 120.570 -0.045 0.000 2.269 67 I HA 0.117 4.329 4.170 0.070 0.000 0.293 67 I C -1.358 174.786 176.117 0.046 0.000 1.106 67 I CA -0.358 60.947 61.300 0.008 0.000 1.248 67 I CB -0.693 37.265 38.000 -0.070 0.000 1.444 67 I HN 0.751 8.784 8.210 -0.105 0.114 0.497 68 L N 4.120 125.408 121.223 0.108 0.000 2.454 68 L HA 0.440 4.916 4.340 0.074 -0.092 0.256 68 L C -0.834 176.067 176.870 0.052 0.000 1.136 68 L CA -1.728 53.160 54.840 0.080 0.000 0.804 68 L CB 1.191 43.268 42.059 0.030 0.000 1.181 68 L HN -0.138 8.164 8.230 0.120 0.000 0.469 69 D N -0.702 119.709 120.400 0.018 0.000 2.325 69 D HA -0.056 4.146 4.640 -0.730 0.000 0.251 69 D C -0.745 175.409 176.300 -0.245 0.000 1.196 69 D CA 0.444 54.283 54.000 -0.268 0.000 0.866 69 D CB 0.494 41.258 40.800 -0.060 0.000 1.101 69 D HN 0.101 8.436 8.370 0.105 0.098 0.476 70 A N 5.415 127.995 122.820 -0.400 0.000 2.610 70 A HA 0.370 4.601 4.320 -0.148 0.000 0.291 70 A C 0.890 178.322 177.584 -0.253 0.000 1.116 70 A CA -0.302 51.591 52.037 -0.240 0.000 0.963 70 A CB 0.801 19.701 19.000 -0.166 0.000 1.220 70 A HN -0.000 7.705 8.150 -0.742 0.000 0.530 71 T N 0.183 114.540 114.554 -0.328 0.000 2.668 71 T HA -0.319 3.942 4.350 -0.230 -0.050 0.258 71 T C 0.928 175.574 174.700 -0.089 0.000 1.051 71 T CA 2.551 64.514 62.100 -0.229 0.000 1.155 71 T CB 0.268 69.009 68.868 -0.211 0.000 0.864 71 T HN 0.072 8.382 8.240 -0.392 -0.305 0.413 72 N N 0.418 119.083 118.700 -0.060 0.000 2.853 72 N HA -0.364 4.362 4.740 -0.023 0.000 0.239 72 N C 0.346 175.851 175.510 -0.009 0.000 0.967 72 N CA 2.508 55.540 53.050 -0.029 0.000 0.973 72 N CB -0.513 37.954 38.487 -0.032 0.000 1.104 72 N HN 0.082 8.423 8.380 -0.065 0.000 0.602 73 N N -0.545 118.158 118.700 0.004 0.000 2.375 73 N HA -0.103 4.645 4.740 0.014 0.000 0.220 73 N C -0.877 174.649 175.510 0.026 0.000 1.170 73 N CA 0.085 53.148 53.050 0.020 0.000 0.833 73 N CB -1.494 37.015 38.487 0.038 0.000 1.069 73 N HN 0.103 8.349 8.380 -0.002 0.133 0.479 74 Q N -3.235 116.574 119.800 0.015 0.000 2.453 74 Q HA -0.385 3.956 4.340 0.002 0.000 0.330 74 Q C -1.047 174.966 176.000 0.022 0.000 1.417 74 Q CA 0.248 56.058 55.803 0.012 0.000 0.902 74 Q CB -3.127 25.616 28.738 0.008 0.000 1.154 74 Q HN -0.492 7.667 8.270 0.008 0.116 0.395 75 L N 0.249 121.490 121.223 0.029 0.000 2.660 75 L HA -0.073 4.315 4.340 0.079 0.000 0.272 75 L C -0.996 175.881 176.870 0.011 0.000 1.194 75 L CA -1.109 53.759 54.840 0.046 0.000 0.945 75 L CB -0.159 41.930 42.059 0.049 0.000 1.212 75 L HN -0.146 8.097 8.230 0.021 0.000 0.490 76 P HA 0.014 4.430 4.420 -0.007 0.000 0.265 76 P C 0.338 177.623 177.300 -0.027 0.000 1.222 76 P CA -0.466 62.632 63.100 -0.004 0.000 0.767 76 P CB 0.719 32.421 31.700 0.003 0.000 0.801 77 Q N 3.097 122.873 119.800 -0.040 0.000 2.482 77 Q HA -0.263 4.029 4.340 -0.080 0.000 0.209 77 Q C -0.086 175.875 176.000 -0.066 0.000 0.961 77 Q CA 1.836 57.601 55.803 -0.063 0.000 0.945 77 Q CB -0.328 28.374 28.738 -0.060 0.000 1.012 77 Q HN 0.382 8.632 8.270 -0.032 0.000 0.515 78 D N -2.625 117.744 120.400 -0.052 0.000 2.323 78 D HA -0.057 4.554 4.640 -0.048 0.000 0.209 78 D C -0.439 175.819 176.300 -0.070 0.000 0.973 78 D CA 0.785 54.755 54.000 -0.050 0.000 0.874 78 D CB 0.498 41.278 40.800 -0.034 0.000 0.930 78 D HN -0.058 8.191 8.370 -0.039 0.097 0.521 79 R N -3.890 116.561 120.500 -0.083 0.000 2.855 79 R HA 0.359 4.703 4.340 -0.149 -0.093 0.266 79 R C -2.134 174.089 176.300 -0.129 0.000 1.034 79 R CA -1.814 54.217 56.100 -0.116 0.000 0.944 79 R CB 2.690 32.940 30.300 -0.085 0.000 1.219 79 R HN -0.876 7.286 8.270 -0.071 0.066 0.474 80 E N -0.581 119.519 120.200 -0.166 0.000 3.218 80 E HA 0.186 4.454 4.350 -0.137 0.000 0.265 80 E C -0.771 175.929 176.600 0.167 0.000 1.393 80 E CA -0.335 56.020 56.400 -0.076 0.000 1.160 80 E CB 1.295 30.887 29.700 -0.179 0.000 1.272 80 E HN 0.239 8.452 8.360 -0.245 0.000 0.720 81 S N -2.472 113.418 115.700 0.316 0.000 2.564 81 S HA 0.294 4.975 4.470 0.351 0.000 0.274 81 S C -1.850 172.823 174.600 0.122 0.000 1.124 81 S CA -1.104 57.287 58.200 0.319 0.000 0.869 81 S CB 3.525 66.953 63.200 0.379 0.000 1.105 81 S HN -0.118 8.351 8.310 0.265 0.000 0.472 82 L N 2.344 123.377 121.223 -0.317 0.000 2.408 82 L HA 0.631 5.047 4.340 -0.095 -0.132 0.268 82 L C -2.390 174.057 176.870 -0.706 0.000 0.986 82 L CA -0.133 54.447 54.840 -0.434 0.000 0.820 82 L CB 3.549 45.143 42.059 -0.775 0.000 1.303 82 L HN 0.376 8.384 8.230 -0.369 0.000 0.411 83 F N 2.480 122.469 119.950 0.065 0.000 2.675 83 F HA 0.556 5.239 4.527 0.128 -0.080 0.324 83 F C -1.571 174.323 175.800 0.157 0.000 1.106 83 F CA -1.294 56.754 58.000 0.080 0.000 0.970 83 F CB 5.006 43.957 39.000 -0.080 0.000 1.385 83 F HN 1.000 9.248 8.300 0.087 0.104 0.489 84 W N -0.808 120.472 121.300 -0.033 0.000 2.411 84 W HA 0.501 5.193 4.660 -0.177 -0.138 0.317 84 W C -0.940 175.438 176.519 -0.235 0.000 1.030 84 W CA -1.662 55.595 57.345 -0.147 0.000 1.239 84 W CB 1.724 31.107 29.460 -0.129 0.000 1.304 84 W HN 1.079 9.396 8.180 0.405 0.107 0.437 85 M N 6.023 125.532 119.600 -0.151 0.000 2.497 85 M HA 0.217 4.515 4.480 -0.304 0.000 0.336 85 M C -1.430 174.651 176.300 -0.364 0.000 1.378 85 M CA -1.972 53.159 55.300 -0.281 0.000 1.375 85 M CB -1.077 31.355 32.600 -0.280 0.000 1.337 85 M HN 0.464 8.530 8.290 -0.199 0.104 0.461 86 N N 6.624 124.977 118.700 -0.580 0.000 2.514 86 N HA 0.126 4.558 4.740 -0.514 0.000 0.277 86 N C -2.145 172.792 175.510 -0.955 0.000 1.126 86 N CA 0.347 52.882 53.050 -0.859 0.000 0.978 86 N CB 1.757 39.393 38.487 -1.419 0.000 1.106 86 N HN 0.342 8.330 8.380 -0.653 0.000 0.461 87 V N 2.705 122.245 119.914 -0.622 0.000 2.419 87 V HA 0.233 4.330 4.120 -0.387 -0.209 0.287 87 V C -1.627 174.344 176.094 -0.205 0.000 1.017 87 V CA -1.273 60.797 62.300 -0.384 0.000 0.844 87 V CB 1.935 33.604 31.823 -0.257 0.000 1.011 87 V HN 0.398 8.304 8.190 -0.473 0.000 0.429 88 K N 7.513 127.925 120.400 0.019 0.000 2.270 88 K HA 0.041 4.438 4.320 0.127 0.000 0.276 88 K C -1.974 174.667 176.600 0.068 0.000 1.023 88 K CA -0.718 55.669 56.287 0.166 0.000 0.955 88 K CB 1.894 34.623 32.500 0.382 0.000 0.975 88 K HN 0.618 8.939 8.250 0.118 0.000 0.471 89 A N 6.232 129.097 122.820 0.075 0.000 2.360 89 A HA 0.717 5.296 4.320 0.090 -0.206 0.309 89 A C -1.309 176.413 177.584 0.230 0.000 1.311 89 A CA -2.089 50.023 52.037 0.124 0.000 0.805 89 A CB 1.713 20.732 19.000 0.031 0.000 1.144 89 A HN 0.464 8.536 8.150 0.082 0.127 0.486 90 I N 3.845 124.519 120.570 0.173 0.000 2.352 90 I HA 0.205 4.436 4.170 0.103 0.000 0.290 90 I C -1.746 174.391 176.117 0.034 0.000 1.036 90 I CA -3.422 57.940 61.300 0.103 0.000 1.336 90 I CB 0.717 38.742 38.000 0.042 0.000 1.407 90 I HN 0.480 8.769 8.210 0.132 0.000 0.497 91 P HA 0.168 4.043 4.420 -1.150 -0.145 0.265 91 P C -0.952 176.175 177.300 -0.287 0.000 1.222 91 P CA -0.341 62.380 63.100 -0.630 0.000 0.767 91 P CB -0.095 31.197 31.700 -0.680 0.000 0.801 92 S N 5.492 121.054 115.700 -0.229 0.000 2.293 92 S HA 0.195 4.607 4.470 -0.097 0.000 0.154 92 S C -1.735 172.813 174.600 -0.087 0.000 1.602 92 S CA -0.286 57.849 58.200 -0.108 0.000 1.260 92 S CB 0.708 63.878 63.200 -0.049 0.000 1.270 92 S HN 0.339 8.477 8.310 -0.287 0.000 0.416 93 M N 2.277 121.819 119.600 -0.096 0.000 2.727 93 M HA 0.322 4.777 4.480 -0.042 0.000 0.300 93 M C -1.505 174.768 176.300 -0.045 0.000 1.246 93 M CA -0.442 54.819 55.300 -0.064 0.000 0.835 93 M CB 2.748 35.300 32.600 -0.081 0.000 1.755 93 M HN -0.418 7.805 8.290 -0.111 0.000 0.473 94 D N 0.360 120.743 120.400 -0.029 0.000 2.371 94 D HA 0.081 4.708 4.640 -0.022 0.000 0.242 94 D C -0.829 175.456 176.300 -0.025 0.000 1.218 94 D CA 0.174 54.161 54.000 -0.022 0.000 0.945 94 D CB 0.188 40.981 40.800 -0.013 0.000 1.137 94 D HN 0.051 8.406 8.370 -0.024 0.000 0.464 95 K N -1.488 118.900 120.400 -0.020 0.000 1.279 95 K HA -0.339 3.972 4.320 -0.015 0.000 0.731 95 K C -0.980 175.606 176.600 -0.024 0.000 1.968 95 K CA 0.737 57.013 56.287 -0.018 0.000 1.135 95 K CB -0.407 32.085 32.500 -0.014 0.000 2.074 95 K HN 0.032 8.272 8.250 -0.017 0.000 0.473 96 S N 0.295 115.982 115.700 -0.021 0.000 3.797 96 S HA -0.282 4.177 4.470 -0.019 0.000 0.374 96 S C -1.327 173.259 174.600 -0.024 0.000 0.970 96 S CA 0.314 58.499 58.200 -0.025 0.000 1.177 96 S CB -0.509 62.669 63.200 -0.038 0.000 0.891 96 S HN 0.197 8.497 8.310 -0.016 0.000 0.491 97 K N -0.799 119.591 120.400 -0.017 0.000 2.378 97 K HA 0.217 4.528 4.320 -0.016 0.000 0.244 97 K C -0.047 176.547 176.600 -0.010 0.000 1.039 97 K CA -1.376 54.902 56.287 -0.014 0.000 0.863 97 K CB 1.970 34.462 32.500 -0.014 0.000 1.326 97 K HN -0.677 7.564 8.250 -0.014 0.000 0.460 98 L N -0.382 120.836 121.223 -0.008 0.000 0.587 98 L HA -0.349 3.988 4.340 -0.005 0.000 0.356 98 L C -1.829 175.038 176.870 -0.005 0.000 0.984 98 L CA 0.774 55.610 54.840 -0.006 0.000 1.223 98 L CB 0.268 42.324 42.059 -0.005 0.000 0.012 98 L HN 0.606 8.831 8.230 -0.009 0.000 0.092 99 T N -0.159 114.393 114.554 -0.004 0.000 2.781 99 T HA -0.315 4.034 4.350 -0.002 0.000 0.476 99 T C -1.154 173.545 174.700 -0.003 0.000 0.785 99 T CA 1.005 63.104 62.100 -0.002 0.000 2.497 99 T CB -0.441 68.426 68.868 -0.001 0.000 1.663 99 T HN -0.024 8.214 8.240 -0.003 0.000 0.547 100 E N -0.839 119.359 120.200 -0.003 0.000 7.835 100 E HA -0.461 3.887 4.350 -0.002 0.000 0.160 100 E C -2.033 174.564 176.600 -0.005 0.000 1.465 100 E CA 0.757 57.155 56.400 -0.003 0.000 2.539 100 E CB -0.504 29.195 29.700 -0.001 0.000 1.573 100 E HN 0.000 8.359 8.360 -0.002 0.000 0.447 101 N N -0.962 117.735 118.700 -0.005 0.000 2.528 101 N HA 0.103 4.837 4.740 -0.010 0.000 0.266 101 N C -1.587 173.920 175.510 -0.006 0.000 1.528 101 N CA 0.144 53.190 53.050 -0.008 0.000 0.959 101 N CB 0.761 39.243 38.487 -0.009 0.000 1.430 101 N HN 0.221 8.599 8.380 -0.003 0.000 0.511 102 T N 0.802 115.354 114.554 -0.003 0.000 3.355 102 T HA 0.153 4.502 4.350 -0.001 0.000 0.276 102 T C -0.538 174.163 174.700 0.003 0.000 1.003 102 T CA -0.099 62.001 62.100 -0.000 0.000 0.943 102 T CB 0.403 69.272 68.868 0.001 0.000 1.158 102 T HN -0.046 8.193 8.240 -0.002 0.000 0.513 103 L N 2.780 124.003 121.223 0.000 0.000 2.660 103 L HA -0.080 4.266 4.340 0.010 0.000 0.272 103 L C 0.638 177.513 176.870 0.008 0.000 1.194 103 L CA 0.822 55.665 54.840 0.004 0.000 0.945 103 L CB 0.659 42.714 42.059 -0.007 0.000 1.212 103 L HN -0.264 7.877 8.230 -0.004 0.086 0.490 104 Q N 7.289 127.099 119.800 0.017 0.000 2.291 104 Q HA -0.203 4.146 4.340 0.015 0.000 0.206 104 Q C 0.061 176.076 176.000 0.025 0.000 0.976 104 Q CA 0.674 56.490 55.803 0.020 0.000 0.875 104 Q CB 0.425 29.178 28.738 0.025 0.000 0.927 104 Q HN 0.309 8.591 8.270 0.021 0.000 0.450 105 L N -4.059 117.182 121.223 0.030 0.000 0.587 105 L HA -0.400 3.961 4.340 0.035 0.000 0.356 105 L C -1.423 175.479 176.870 0.053 0.000 0.981 105 L CA 0.097 54.956 54.840 0.033 0.000 1.223 105 L CB -0.463 41.604 42.059 0.013 0.000 0.020 105 L HN -0.669 7.562 8.230 0.033 0.019 0.091 106 A N -4.146 118.713 122.820 0.065 0.000 2.251 106 A HA -0.383 3.996 4.320 0.099 0.000 0.283 106 A C -0.658 176.984 177.584 0.098 0.000 1.415 106 A CA 0.797 52.886 52.037 0.086 0.000 0.742 106 A CB -0.720 18.324 19.000 0.073 0.000 1.151 106 A HN 0.253 8.436 8.150 0.055 0.000 0.354 107 I N -0.226 120.408 120.570 0.107 0.000 2.293 107 I HA -0.066 4.147 4.170 0.071 0.000 0.299 107 I C -0.186 175.966 176.117 0.059 0.000 1.153 107 I CA -0.209 61.141 61.300 0.084 0.000 1.302 107 I CB -1.111 36.951 38.000 0.103 0.000 1.460 107 I HN 0.132 8.332 8.210 0.133 0.090 0.552 108 I N 8.829 129.438 120.570 0.066 0.000 2.517 108 I HA -0.192 4.187 4.170 0.034 -0.189 0.285 108 I C -0.415 175.690 176.117 -0.020 0.000 1.106 108 I CA 0.865 62.191 61.300 0.045 0.000 1.402 108 I CB 0.599 38.667 38.000 0.114 0.000 1.399 108 I HN -0.118 8.115 8.210 0.080 0.026 0.535 109 S N 8.404 124.057 115.700 -0.078 0.000 2.446 109 S HA -0.008 4.408 4.470 -0.089 0.000 0.225 109 S C -0.171 174.343 174.600 -0.143 0.000 1.016 109 S CA 1.271 59.405 58.200 -0.110 0.000 0.943 109 S CB 1.105 64.224 63.200 -0.135 0.000 0.786 109 S HN 0.522 8.775 8.310 -0.095 0.000 0.508 110 R N 0.447 120.847 120.500 -0.168 0.000 1.756 110 R HA -0.443 3.948 4.340 -0.185 -0.162 0.379 110 R C -2.086 174.017 176.300 -0.328 0.000 1.251 110 R CA 0.884 56.862 56.100 -0.203 0.000 1.119 110 R CB -1.369 28.858 30.300 -0.120 0.000 3.262 110 R HN -0.534 7.608 8.270 -0.166 0.028 0.487 111 I N 3.953 124.300 120.570 -0.372 0.000 2.608 111 I HA 0.138 4.066 4.170 -0.403 0.000 0.295 111 I C -1.550 174.253 176.117 -0.524 0.000 1.049 111 I CA -1.618 59.442 61.300 -0.400 0.000 1.063 111 I CB 4.595 42.417 38.000 -0.297 0.000 1.248 111 I HN -0.156 7.857 8.210 -0.328 0.000 0.424 112 K N 7.015 127.068 120.400 -0.577 0.000 2.298 112 K HA 0.052 3.926 4.320 -0.743 0.000 0.280 112 K C -2.162 174.182 176.600 -0.427 0.000 1.032 112 K CA 0.007 55.931 56.287 -0.606 0.000 0.958 112 K CB 0.986 33.116 32.500 -0.617 0.000 0.978 112 K HN 0.267 8.218 8.250 -0.497 0.000 0.472 113 L N 6.298 127.329 121.223 -0.319 0.000 2.404 113 L HA 0.588 5.060 4.340 -0.208 -0.256 0.272 113 L C -2.297 174.547 176.870 -0.043 0.000 0.980 113 L CA -1.074 53.659 54.840 -0.178 0.000 0.836 113 L CB 3.357 45.336 42.059 -0.134 0.000 1.238 113 L HN 0.608 8.585 8.230 -0.262 0.095 0.408 114 Y N 5.336 125.668 120.300 0.053 0.000 2.309 114 Y HA 0.241 4.910 4.550 -0.000 -0.119 0.327 114 Y C -1.131 174.968 175.900 0.333 0.000 1.172 114 Y CA -1.601 56.561 58.100 0.102 0.000 1.280 114 Y CB 0.848 39.357 38.460 0.081 0.000 1.234 114 Y HN -0.010 8.264 8.280 -0.009 0.000 0.512 115 Y N 5.049 125.605 120.300 0.427 0.000 2.338 115 Y HA 0.685 5.567 4.550 0.256 -0.179 0.333 115 Y C -2.426 173.596 175.900 0.204 0.000 0.968 115 Y CA -1.918 56.377 58.100 0.324 0.000 1.123 115 Y CB 3.112 41.842 38.460 0.448 0.000 1.165 115 Y HN 0.673 9.189 8.280 0.588 0.116 0.452 116 R N 4.937 125.320 120.500 -0.195 0.000 2.663 116 R HA 0.599 4.745 4.340 -0.323 0.000 0.267 116 R C -2.350 173.763 176.300 -0.311 0.000 1.038 116 R CA -2.593 53.351 56.100 -0.260 0.000 0.886 116 R CB 1.502 31.747 30.300 -0.092 0.000 1.249 116 R HN 0.605 8.817 8.270 -0.097 0.000 0.463 117 P HA -0.074 4.250 4.420 -0.160 0.000 0.234 117 P C -1.113 176.134 177.300 -0.090 0.000 1.167 117 P CA 0.563 63.561 63.100 -0.170 0.000 0.763 117 P CB -0.322 31.285 31.700 -0.155 0.000 0.835 118 A N -4.166 118.595 122.820 -0.098 0.000 2.640 118 A HA -0.313 3.929 4.320 -0.130 0.000 0.300 118 A C -0.392 177.166 177.584 -0.044 0.000 1.499 118 A CA 1.173 53.175 52.037 -0.057 0.000 0.759 118 A CB -1.400 17.629 19.000 0.049 0.000 1.048 118 A HN 0.016 7.981 8.150 -0.144 0.098 0.450 119 K N -2.440 117.900 120.400 -0.101 0.000 2.501 119 K HA 0.069 4.383 4.320 -0.010 0.000 0.204 119 K C -0.578 175.985 176.600 -0.063 0.000 1.067 119 K CA -0.491 55.763 56.287 -0.055 0.000 1.060 119 K CB 0.375 32.844 32.500 -0.051 0.000 0.873 119 K HN -0.209 7.937 8.250 -0.172 0.000 0.540 120 L N -0.483 120.664 121.223 -0.128 0.000 2.485 120 L HA -0.132 4.168 4.340 -0.067 0.000 0.275 120 L C 1.260 178.171 176.870 0.069 0.000 1.207 120 L CA 0.155 54.953 54.840 -0.070 0.000 0.855 120 L CB 0.410 42.349 42.059 -0.199 0.000 1.114 120 L HN -0.417 7.668 8.230 -0.242 0.000 0.485 121 A N 3.714 126.565 122.820 0.053 0.000 2.167 121 A HA -0.075 4.276 4.320 0.052 0.000 0.214 121 A C 0.331 177.960 177.584 0.075 0.000 1.151 121 A CA 0.878 52.948 52.037 0.055 0.000 0.735 121 A CB 0.139 19.154 19.000 0.025 0.000 0.802 121 A HN 0.277 8.441 8.150 0.024 0.000 0.467 122 L N 0.501 121.796 121.223 0.120 0.000 2.462 122 L HA 0.139 4.503 4.340 0.041 0.000 0.272 122 L C -2.113 174.803 176.870 0.075 0.000 1.166 122 L CA -1.933 52.963 54.840 0.093 0.000 0.880 122 L CB 1.035 43.166 42.059 0.119 0.000 1.142 122 L HN -0.616 7.664 8.230 0.155 0.043 0.473 123 P HA 0.397 4.822 4.420 0.009 0.000 0.282 123 P C -1.460 175.734 177.300 -0.176 0.000 1.262 123 P CA -2.221 60.854 63.100 -0.042 0.000 0.773 123 P CB 0.003 31.687 31.700 -0.027 0.000 0.879 124 P HA -0.218 3.725 4.420 -0.795 0.000 0.228 124 P C 0.744 177.906 177.300 -0.230 0.000 1.151 124 P CA 1.679 64.498 63.100 -0.468 0.000 0.770 124 P CB 0.376 31.835 31.700 -0.403 0.000 0.786 125 D N -1.482 118.842 120.400 -0.126 0.000 2.097 125 D HA -0.272 4.338 4.640 -0.051 0.000 0.195 125 D C 1.876 178.131 176.300 -0.074 0.000 0.989 125 D CA 3.393 57.350 54.000 -0.071 0.000 0.827 125 D CB -0.132 40.641 40.800 -0.045 0.000 0.966 125 D HN 0.250 8.494 8.370 -0.110 0.060 0.456 126 Q N -1.451 118.297 119.800 -0.088 0.000 2.444 126 Q HA -0.091 4.216 4.340 -0.055 0.000 0.206 126 Q C 1.125 177.068 176.000 -0.095 0.000 0.948 126 Q CA 0.541 56.300 55.803 -0.074 0.000 0.946 126 Q CB -0.146 28.556 28.738 -0.060 0.000 1.027 126 Q HN -0.403 7.808 8.270 -0.099 0.000 0.513 127 A N -1.066 121.661 122.820 -0.155 0.000 1.917 127 A HA -0.243 3.984 4.320 -0.155 0.000 0.219 127 A C 1.858 179.393 177.584 -0.080 0.000 1.182 127 A CA 2.742 54.678 52.037 -0.168 0.000 0.633 127 A CB -0.752 18.069 19.000 -0.299 0.000 0.819 127 A HN -0.418 7.430 8.150 -0.192 0.187 0.448 128 A N -2.642 120.161 122.820 -0.028 0.000 1.930 128 A HA -0.214 4.165 4.320 0.098 0.000 0.217 128 A C 2.112 179.716 177.584 0.033 0.000 1.175 128 A CA 2.261 54.343 52.037 0.075 0.000 0.627 128 A CB -0.355 18.743 19.000 0.165 0.000 0.815 128 A HN -0.601 7.520 8.150 -0.046 0.001 0.443 129 E N -3.724 116.464 120.200 -0.019 0.000 2.511 129 E HA -0.070 4.253 4.350 -0.045 0.000 0.196 129 E C 0.009 176.580 176.600 -0.047 0.000 1.066 129 E CA 1.327 57.703 56.400 -0.039 0.000 0.871 129 E CB -0.194 29.481 29.700 -0.042 0.000 0.863 129 E HN -0.042 8.235 8.360 -0.027 0.066 0.520 130 K N -3.842 116.527 120.400 -0.051 0.000 2.520 130 K HA 0.113 4.402 4.320 -0.052 0.000 0.206 130 K C -0.306 176.255 176.600 -0.064 0.000 1.122 130 K CA -0.898 55.357 56.287 -0.054 0.000 1.045 130 K CB 0.253 32.724 32.500 -0.049 0.000 0.932 130 K HN -0.642 7.369 8.250 -0.047 0.210 0.571 131 L N 0.363 121.541 121.223 -0.075 0.000 2.492 131 L HA -0.248 4.036 4.340 -0.094 0.000 0.280 131 L C -0.589 176.184 176.870 -0.163 0.000 1.240 131 L CA 1.139 55.908 54.840 -0.120 0.000 0.831 131 L CB 0.643 42.617 42.059 -0.141 0.000 1.100 131 L HN -0.746 7.331 8.230 -0.056 0.120 0.505 132 R N 1.073 121.470 120.500 -0.171 0.000 2.774 132 R HA 0.144 4.502 4.340 -0.235 -0.159 0.272 132 R C -2.174 174.069 176.300 -0.094 0.000 1.000 132 R CA -1.522 54.481 56.100 -0.161 0.000 0.906 132 R CB 3.808 34.081 30.300 -0.045 0.000 1.227 132 R HN 0.212 8.411 8.270 -0.119 0.000 0.468 133 F N -1.476 118.500 119.950 0.043 0.000 2.593 133 F HA 0.947 5.661 4.527 0.026 -0.171 0.320 133 F C -0.855 174.962 175.800 0.029 0.000 1.060 133 F CA -3.598 54.425 58.000 0.038 0.000 0.940 133 F CB 4.222 43.257 39.000 0.058 0.000 1.268 133 F HN 0.174 8.479 8.300 0.009 0.000 0.475 134 R N 1.844 122.487 120.500 0.239 0.000 2.388 134 R HA 0.588 5.168 4.340 0.122 -0.167 0.314 134 R C -1.270 175.092 176.300 0.103 0.000 0.959 134 R CA -1.659 54.521 56.100 0.132 0.000 0.851 134 R CB 3.081 33.433 30.300 0.086 0.000 1.168 134 R HN 0.749 9.162 8.270 0.239 0.000 0.472 135 R N 6.777 127.334 120.500 0.095 0.000 2.441 135 R HA 0.046 4.411 4.340 0.041 0.000 0.284 135 R C -1.371 174.952 176.300 0.039 0.000 1.070 135 R CA -0.409 55.727 56.100 0.060 0.000 1.047 135 R CB 0.881 31.222 30.300 0.069 0.000 1.016 135 R HN 0.703 9.419 8.270 0.100 -0.386 0.477 136 S N 4.060 119.773 115.700 0.022 0.000 2.661 136 S HA 0.247 4.729 4.470 0.020 0.000 0.285 136 S C -0.051 174.555 174.600 0.011 0.000 1.138 136 S CA -1.513 56.697 58.200 0.017 0.000 0.855 136 S CB 3.226 66.434 63.200 0.014 0.000 1.136 136 S HN -0.067 8.251 8.310 0.013 0.000 0.484 137 A N 0.161 122.987 122.820 0.010 0.000 2.543 137 A HA 0.093 4.417 4.320 0.008 0.000 0.258 137 A C -1.071 176.515 177.584 0.004 0.000 1.391 137 A CA 0.402 52.443 52.037 0.007 0.000 1.066 137 A CB -1.676 17.328 19.000 0.008 0.000 0.972 137 A HN 0.489 8.645 8.150 0.011 0.000 0.560 138 N N -3.079 115.622 118.700 0.002 0.000 2.370 138 N HA -0.052 4.688 4.740 -0.001 0.000 0.313 138 N C -2.328 173.178 175.510 -0.007 0.000 0.694 138 N CA 1.046 54.095 53.050 -0.001 0.000 0.849 138 N CB 1.533 40.020 38.487 0.001 0.000 2.143 138 N HN 0.026 8.291 8.380 0.001 0.116 1.284 139 S N -2.735 112.960 115.700 -0.009 0.000 2.618 139 S HA 0.548 5.052 4.470 -0.026 -0.050 0.277 139 S C -2.429 172.157 174.600 -0.023 0.000 1.138 139 S CA -1.155 57.034 58.200 -0.019 0.000 0.844 139 S CB 3.377 66.569 63.200 -0.014 0.000 1.127 139 S HN -0.669 7.639 8.310 -0.003 0.000 0.474 140 L N 0.575 121.767 121.223 -0.051 0.000 2.342 140 L HA 0.953 5.470 4.340 -0.023 -0.190 0.271 140 L C -1.873 174.950 176.870 -0.078 0.000 1.008 140 L CA -1.337 53.462 54.840 -0.068 0.000 0.818 140 L CB 4.207 46.186 42.059 -0.134 0.000 1.296 140 L HN 0.819 8.897 8.230 -0.066 0.113 0.427 141 T N 5.993 120.531 114.554 -0.027 0.000 2.829 141 T HA 0.497 4.960 4.350 -0.020 -0.124 0.280 141 T C -1.676 173.063 174.700 0.065 0.000 0.999 141 T CA -0.447 61.656 62.100 0.007 0.000 0.983 141 T CB 2.143 71.031 68.868 0.034 0.000 0.968 141 T HN 0.582 8.831 8.240 0.016 0.000 0.446 142 L N 6.849 128.115 121.223 0.073 0.000 2.287 142 L HA 0.270 4.917 4.340 0.512 0.000 0.287 142 L C -1.593 175.381 176.870 0.174 0.000 1.022 142 L CA -0.429 54.539 54.840 0.214 0.000 0.814 142 L CB 1.827 43.955 42.059 0.115 0.000 1.217 142 L HN 0.974 9.100 8.230 0.037 0.127 0.420 143 I N 3.972 124.653 120.570 0.185 0.000 2.385 143 I HA 0.051 4.270 4.170 0.082 0.000 0.294 143 I C -1.607 174.545 176.117 0.057 0.000 0.988 143 I CA -0.470 60.886 61.300 0.094 0.000 1.265 143 I CB 2.292 40.336 38.000 0.074 0.000 1.388 143 I HN 0.157 8.524 8.210 0.262 0.000 0.480 144 N N 6.613 125.334 118.700 0.036 0.000 2.673 144 N HA 0.539 5.269 4.740 -0.017 0.000 0.265 144 N C -2.026 173.471 175.510 -0.022 0.000 1.709 144 N CA -1.889 51.160 53.050 -0.001 0.000 0.792 144 N CB 1.559 40.052 38.487 0.011 0.000 1.286 144 N HN 0.538 8.942 8.380 0.040 0.000 0.506 145 P HA 0.195 4.601 4.420 -0.023 0.000 0.245 145 P C -0.655 176.618 177.300 -0.044 0.000 1.212 145 P CA 0.650 63.735 63.100 -0.024 0.000 0.774 145 P CB -0.036 31.658 31.700 -0.010 0.000 0.999 146 T N -0.901 113.619 114.554 -0.057 0.000 2.898 146 T HA 0.144 4.467 4.350 -0.045 0.000 0.301 146 T C -0.397 174.236 174.700 -0.113 0.000 1.049 146 T CA -3.214 58.848 62.100 -0.064 0.000 1.095 146 T CB -0.322 68.513 68.868 -0.054 0.000 0.976 146 T HN -0.700 7.391 8.240 -0.056 0.115 0.539 147 P HA -0.061 4.256 4.420 -0.172 0.000 0.233 147 P C -1.843 175.311 177.300 -0.242 0.000 1.167 147 P CA 0.865 63.876 63.100 -0.148 0.000 0.770 147 P CB 0.281 31.925 31.700 -0.093 0.000 0.837 148 Y N -2.232 117.876 120.300 -0.320 0.000 2.364 148 Y HA 0.237 4.593 4.550 -0.324 0.000 0.340 148 Y C -1.464 174.163 175.900 -0.455 0.000 0.975 148 Y CA -2.386 55.516 58.100 -0.329 0.000 1.089 148 Y CB 2.029 40.385 38.460 -0.173 0.000 1.192 148 Y HN -0.687 7.512 8.280 -0.035 0.060 0.454 149 Y N 5.346 125.689 120.300 0.071 0.000 2.314 149 Y HA -0.030 4.506 4.550 -0.023 0.000 0.334 149 Y C -1.023 174.847 175.900 -0.050 0.000 1.266 149 Y CA 1.211 59.247 58.100 -0.107 0.000 1.391 149 Y CB 1.172 39.288 38.460 -0.574 0.000 1.306 149 Y HN -0.125 8.414 8.280 -0.067 -0.300 0.558 150 L N 0.791 122.101 121.223 0.144 0.000 2.628 150 L HA 0.240 4.619 4.340 0.065 0.000 0.258 150 L C -1.513 175.443 176.870 0.144 0.000 1.027 150 L CA -0.892 53.999 54.840 0.085 0.000 0.910 150 L CB 1.972 44.029 42.059 -0.003 0.000 1.157 150 L HN 0.169 8.542 8.230 0.238 0.000 0.452 151 T N 6.125 120.807 114.554 0.214 0.000 2.919 151 T HA 0.066 4.515 4.350 0.166 0.000 0.302 151 T C -1.289 173.440 174.700 0.048 0.000 1.031 151 T CA 0.812 63.010 62.100 0.162 0.000 1.127 151 T CB 0.655 69.624 68.868 0.169 0.000 0.952 151 T HN 0.341 8.731 8.240 0.251 0.000 0.540 152 V N 6.291 126.201 119.914 -0.007 0.000 2.448 152 V HA 0.494 4.724 4.120 -0.084 -0.161 0.295 152 V C -1.032 175.057 176.094 -0.008 0.000 1.025 152 V CA -1.231 61.021 62.300 -0.080 0.000 0.859 152 V CB 2.358 34.055 31.823 -0.211 0.000 0.988 152 V HN 0.352 8.549 8.190 0.011 0.000 0.431 153 T N 3.307 117.888 114.554 0.045 0.000 2.928 153 T HA 0.386 4.749 4.350 0.021 0.000 0.296 153 T C -0.901 173.846 174.700 0.079 0.000 1.000 153 T CA -1.851 60.277 62.100 0.046 0.000 0.989 153 T CB 2.047 70.939 68.868 0.040 0.000 1.005 153 T HN 0.807 8.987 8.240 0.082 0.109 0.442 154 E N 1.418 121.652 120.200 0.057 0.000 2.260 154 E HA -0.451 3.924 4.350 0.042 0.000 0.204 154 E C -2.189 174.475 176.600 0.107 0.000 1.319 154 E CA 0.593 57.030 56.400 0.063 0.000 0.679 154 E CB -2.099 27.634 29.700 0.054 0.000 1.158 154 E HN 0.511 8.890 8.360 0.032 0.000 0.376 155 L N 1.069 122.355 121.223 0.104 0.000 2.305 155 L HA 0.127 4.763 4.340 0.295 -0.119 0.281 155 L C -1.775 175.164 176.870 0.115 0.000 1.085 155 L CA -0.638 54.305 54.840 0.171 0.000 0.813 155 L CB 1.957 44.077 42.059 0.102 0.000 1.157 155 L HN -0.642 7.623 8.230 0.058 0.000 0.436 156 N N 6.201 124.982 118.700 0.135 0.000 2.372 156 N HA 0.460 5.349 4.740 0.058 -0.113 0.285 156 N C -2.166 173.400 175.510 0.094 0.000 1.008 156 N CA -0.048 53.051 53.050 0.082 0.000 0.880 156 N CB 3.524 42.045 38.487 0.058 0.000 1.239 156 N HN 0.756 9.147 8.380 0.198 0.107 0.484 157 A N 4.452 127.312 122.820 0.066 0.000 2.569 157 A HA 0.598 4.978 4.320 0.100 0.000 0.282 157 A C -0.637 176.975 177.584 0.046 0.000 1.165 157 A CA -1.407 50.673 52.037 0.072 0.000 0.747 157 A CB 1.551 20.585 19.000 0.056 0.000 1.215 157 A HN 0.673 8.850 8.150 0.045 0.000 0.431 158 G N 6.630 115.456 108.800 0.044 0.000 2.574 158 G HA2 -0.405 3.571 3.960 0.027 0.000 0.286 158 G HA3 -0.405 3.567 3.960 0.027 0.004 0.286 158 G C -0.744 174.170 174.900 0.023 0.000 1.212 158 G CA 1.075 46.193 45.100 0.029 0.000 0.979 158 G HN 0.250 8.572 8.290 0.052 0.000 0.557 159 T N 3.450 118.014 114.554 0.017 0.000 3.235 159 T HA -0.020 4.338 4.350 0.013 0.000 0.251 159 T C -0.561 174.146 174.700 0.012 0.000 1.060 159 T CA -0.513 61.595 62.100 0.013 0.000 0.949 159 T CB 0.024 68.898 68.868 0.010 0.000 1.020 159 T HN 0.059 8.309 8.240 0.016 0.000 0.564 160 R N 2.031 122.540 120.500 0.014 0.000 2.368 160 R HA 0.263 4.608 4.340 0.008 0.000 0.302 160 R C -1.530 174.778 176.300 0.014 0.000 1.002 160 R CA -1.202 54.905 56.100 0.011 0.000 0.929 160 R CB 1.585 31.889 30.300 0.007 0.000 1.073 160 R HN -0.468 7.718 8.270 0.018 0.095 0.464 161 V N 4.839 124.760 119.914 0.011 0.000 2.530 161 V HA -0.031 4.102 4.120 0.021 0.000 0.282 161 V C -0.450 175.647 176.094 0.004 0.000 1.048 161 V CA 1.078 63.386 62.300 0.013 0.000 0.997 161 V CB 0.379 32.209 31.823 0.011 0.000 0.987 161 V HN 0.290 8.484 8.190 0.007 0.000 0.477 162 L N 5.833 127.059 121.223 0.004 0.000 2.286 162 L HA 0.394 4.720 4.340 -0.023 0.000 0.265 162 L C -0.958 175.901 176.870 -0.018 0.000 1.012 162 L CA -2.365 52.465 54.840 -0.017 0.000 0.818 162 L CB 2.955 44.994 42.059 -0.034 0.000 1.337 162 L HN 0.705 8.946 8.230 0.018 0.000 0.438 163 E N 0.497 120.674 120.200 -0.038 0.000 2.408 163 E HA -0.163 4.174 4.350 -0.022 0.000 0.259 163 E C -0.464 176.118 176.600 -0.030 0.000 1.110 163 E CA -0.896 55.484 56.400 -0.033 0.000 0.929 163 E CB 0.217 29.893 29.700 -0.040 0.000 0.971 163 E HN 0.304 8.631 8.360 -0.055 0.000 0.438 164 N N 0.094 118.780 118.700 -0.023 0.000 2.513 164 N HA -0.245 4.487 4.740 -0.014 0.000 0.268 164 N C -0.857 174.633 175.510 -0.033 0.000 1.180 164 N CA 0.709 53.745 53.050 -0.023 0.000 0.948 164 N CB 0.537 39.008 38.487 -0.026 0.000 1.083 164 N HN 0.092 8.458 8.380 -0.023 0.000 0.455 165 A N 4.717 127.518 122.820 -0.031 0.000 2.430 165 A HA 0.327 4.633 4.320 -0.023 0.000 0.300 165 A C -2.221 175.360 177.584 -0.006 0.000 1.124 165 A CA -1.393 50.630 52.037 -0.024 0.000 0.766 165 A CB 3.427 22.403 19.000 -0.041 0.000 1.328 165 A HN 0.419 8.555 8.150 -0.024 0.000 0.424 166 L N -0.575 120.660 121.223 0.019 0.000 2.333 166 L HA 0.487 4.865 4.340 0.063 0.000 0.263 166 L C -2.084 174.856 176.870 0.116 0.000 1.014 166 L CA -0.811 54.062 54.840 0.055 0.000 0.820 166 L CB 4.633 46.694 42.059 0.004 0.000 1.352 166 L HN 0.504 8.750 8.230 0.027 0.000 0.421 167 V N 4.029 124.060 119.914 0.195 0.000 2.294 167 V HA 0.422 4.649 4.120 0.178 0.000 0.272 167 V C -2.351 173.932 176.094 0.315 0.000 1.027 167 V CA -4.412 58.037 62.300 0.249 0.000 0.823 167 V CB 1.316 33.322 31.823 0.305 0.000 1.030 167 V HN 0.557 8.883 8.190 0.227 0.000 0.457 168 P HA 0.317 4.890 4.420 0.255 0.000 0.276 168 P C -2.228 175.226 177.300 0.256 0.000 1.244 168 P CA -2.008 61.230 63.100 0.229 0.000 0.801 168 P CB -0.423 31.363 31.700 0.144 0.000 1.006 169 P HA -0.028 4.550 4.420 0.263 0.000 0.285 169 P C -0.237 177.110 177.300 0.077 0.000 1.259 169 P CA -0.784 62.458 63.100 0.235 0.000 0.794 169 P CB 1.005 32.854 31.700 0.249 0.000 0.940 170 M N 2.828 122.427 119.600 -0.001 0.000 2.212 170 M HA -0.466 4.099 4.480 -0.039 -0.109 0.193 170 M C -1.643 174.664 176.300 0.011 0.000 0.493 170 M CA 0.682 55.974 55.300 -0.013 0.000 0.427 170 M CB -2.040 30.552 32.600 -0.013 0.000 1.120 170 M HN 0.389 8.636 8.290 -0.071 0.000 0.929 171 G N -3.073 105.740 108.800 0.022 0.000 2.450 171 G HA2 0.224 4.199 3.960 0.025 0.000 0.273 171 G HA3 0.224 4.208 3.960 0.040 0.000 0.273 171 G C -3.215 171.712 174.900 0.044 0.000 1.221 171 G CA 0.171 45.291 45.100 0.034 0.000 0.900 171 G HN -0.266 7.944 8.290 0.018 0.091 0.483 172 E N -1.542 118.689 120.200 0.052 0.000 2.308 172 E HA 0.711 5.256 4.350 0.067 -0.154 0.275 172 E C -1.628 175.008 176.600 0.060 0.000 0.890 172 E CA -1.349 55.086 56.400 0.058 0.000 0.754 172 E CB 3.537 33.267 29.700 0.049 0.000 1.207 172 E HN -0.047 8.342 8.360 0.048 0.000 0.426 173 S N 3.431 119.169 115.700 0.064 0.000 2.730 173 S HA 0.303 4.805 4.470 0.053 0.000 0.284 173 S C -1.458 173.155 174.600 0.021 0.000 1.153 173 S CA -0.438 57.791 58.200 0.050 0.000 0.995 173 S CB 1.349 64.582 63.200 0.055 0.000 1.058 173 S HN 0.927 9.173 8.310 0.072 0.108 0.552 174 T N 2.043 116.600 114.554 0.004 0.000 2.900 174 T HA 0.851 5.338 4.350 -0.034 -0.157 0.303 174 T C -1.280 173.398 174.700 -0.037 0.000 1.142 174 T CA -0.898 61.190 62.100 -0.019 0.000 1.007 174 T CB 3.087 71.953 68.868 -0.003 0.000 1.156 174 T HN 0.124 8.372 8.240 0.013 0.000 0.490 175 V N -3.162 116.715 119.914 -0.061 0.000 3.206 175 V HA 0.522 4.615 4.120 -0.045 0.000 0.305 175 V C -1.876 174.184 176.094 -0.057 0.000 1.257 175 V CA -2.498 59.763 62.300 -0.066 0.000 1.057 175 V CB 3.176 34.933 31.823 -0.110 0.000 1.075 175 V HN 0.874 9.023 8.190 -0.068 0.000 0.443 176 K N 0.290 120.664 120.400 -0.045 0.000 2.219 176 K HA 0.010 4.424 4.320 -0.028 -0.110 0.258 176 K C -1.082 175.492 176.600 -0.043 0.000 1.008 176 K CA 0.454 56.721 56.287 -0.034 0.000 0.928 176 K CB 0.492 32.978 32.500 -0.023 0.000 0.983 176 K HN 0.052 8.277 8.250 -0.041 0.000 0.484 177 L N -0.645 120.561 121.223 -0.029 0.000 2.464 177 L HA 0.482 4.805 4.340 -0.029 0.000 0.266 177 L C -1.462 175.402 176.870 -0.010 0.000 0.965 177 L CA -3.155 51.671 54.840 -0.024 0.000 0.833 177 L CB 2.501 44.547 42.059 -0.021 0.000 1.296 177 L HN -0.204 7.923 8.230 -0.021 0.091 0.405 178 P HA 0.170 4.589 4.420 -0.002 0.000 0.263 178 P C -0.892 176.410 177.300 0.003 0.000 1.386 178 P CA -0.102 62.998 63.100 -0.001 0.000 0.797 178 P CB -0.619 31.082 31.700 0.001 0.000 1.381 179 S N -3.446 112.257 115.700 0.004 0.000 3.270 179 S HA -0.461 4.015 4.470 0.009 0.000 0.293 179 S C -1.264 173.342 174.600 0.011 0.000 1.278 179 S CA 1.269 59.473 58.200 0.008 0.000 1.038 179 S CB -0.729 62.474 63.200 0.006 0.000 1.218 179 S HN -0.318 7.873 8.310 0.002 0.120 0.659 180 D N -1.579 118.828 120.400 0.012 0.000 3.045 180 D HA -0.068 4.582 4.640 0.016 0.000 0.196 180 D C -0.742 175.571 176.300 0.021 0.000 1.520 180 D CA 0.829 54.838 54.000 0.015 0.000 1.466 180 D CB 1.028 41.836 40.800 0.012 0.000 1.152 180 D HN -0.347 7.966 8.370 0.010 0.064 0.254 181 A N 1.629 124.461 122.820 0.020 0.000 2.312 181 A HA -0.299 4.163 4.320 0.023 -0.128 0.286 181 A C 0.556 178.161 177.584 0.034 0.000 1.425 181 A CA 0.452 52.505 52.037 0.027 0.000 0.748 181 A CB -1.411 17.607 19.000 0.030 0.000 1.126 181 A HN 0.159 8.318 8.150 0.015 0.000 0.368 182 G N -0.852 107.964 108.800 0.026 0.000 2.596 182 G HA2 -0.396 3.575 3.960 0.018 0.000 0.334 182 G HA3 -0.396 3.578 3.960 0.023 0.000 0.334 182 G C -0.756 174.160 174.900 0.026 0.000 1.351 182 G CA 0.993 46.107 45.100 0.023 0.000 0.965 182 G HN 0.248 8.551 8.290 0.021 0.000 0.533 183 S N 0.997 116.711 115.700 0.023 0.000 2.977 183 S HA 0.193 4.680 4.470 0.028 0.000 0.250 183 S C -1.405 173.207 174.600 0.019 0.000 1.005 183 S CA 0.035 58.248 58.200 0.022 0.000 1.081 183 S CB 0.023 63.232 63.200 0.015 0.000 1.018 183 S HN 0.095 8.417 8.310 0.020 0.000 0.539 184 N N -0.668 118.047 118.700 0.026 0.000 2.710 184 N HA 0.221 4.973 4.740 0.020 0.000 0.257 184 N C -2.714 172.824 175.510 0.047 0.000 1.327 184 N CA 0.722 53.785 53.050 0.022 0.000 0.861 184 N CB 2.803 41.289 38.487 -0.002 0.000 1.532 184 N HN -0.381 8.019 8.380 0.034 0.000 0.499 185 I N 0.244 120.848 120.570 0.056 0.000 2.608 185 I HA 0.632 5.021 4.170 0.131 -0.141 0.295 185 I C -2.063 174.057 176.117 0.005 0.000 1.049 185 I CA -1.290 60.084 61.300 0.124 0.000 1.063 185 I CB 4.385 42.560 38.000 0.292 0.000 1.248 185 I HN 0.546 8.768 8.210 0.020 0.000 0.424 186 T N 3.376 117.933 114.554 0.005 0.000 2.816 186 T HA 0.543 4.618 4.350 -0.511 -0.032 0.299 186 T C -1.884 172.791 174.700 -0.041 0.000 1.230 186 T CA -1.768 60.209 62.100 -0.205 0.000 1.007 186 T CB 3.108 71.904 68.868 -0.120 0.000 1.289 186 T HN 0.888 9.202 8.240 0.122 0.000 0.508 187 Y N -4.683 115.667 120.300 0.083 0.000 2.741 187 Y HA 0.601 5.380 4.550 0.075 -0.184 0.339 187 Y C -2.519 173.416 175.900 0.059 0.000 1.226 187 Y CA -1.330 56.822 58.100 0.087 0.000 1.072 187 Y CB 1.286 39.833 38.460 0.145 0.000 1.331 187 Y HN 0.820 8.840 8.280 -0.435 0.000 0.453 188 R N -1.049 119.630 120.500 0.299 0.000 2.607 188 R HA 0.695 5.282 4.340 0.194 -0.130 0.261 188 R C 0.594 177.041 176.300 0.244 0.000 1.051 188 R CA -1.934 54.297 56.100 0.219 0.000 1.110 188 R CB 1.801 32.176 30.300 0.124 0.000 1.158 188 R HN 0.223 8.664 8.270 0.286 0.000 0.543 189 T N -3.230 111.430 114.554 0.176 0.000 2.907 189 T HA 0.691 5.267 4.350 0.101 -0.166 0.290 189 T C -1.442 173.323 174.700 0.108 0.000 1.066 189 T CA -2.585 59.591 62.100 0.128 0.000 1.012 189 T CB 3.451 72.394 68.868 0.126 0.000 1.184 189 T HN 0.742 9.071 8.240 0.147 0.000 0.522 190 I N 1.066 121.705 120.570 0.114 0.000 2.328 190 I HA 0.262 4.650 4.170 0.102 -0.157 0.287 190 I C -0.396 175.815 176.117 0.158 0.000 1.012 190 I CA -2.275 59.097 61.300 0.121 0.000 1.195 190 I CB -1.111 36.951 38.000 0.104 0.000 1.350 190 I HN -0.192 8.093 8.210 0.125 0.000 0.464 191 N N 7.727 126.513 118.700 0.143 0.000 2.294 191 N HA -0.049 4.781 4.740 0.150 0.000 0.248 191 N C 0.655 176.289 175.510 0.207 0.000 1.300 191 N CA -0.493 52.653 53.050 0.160 0.000 0.925 191 N CB 1.033 39.602 38.487 0.135 0.000 1.188 191 N HN 0.537 8.892 8.380 0.125 0.100 0.512 192 D N -2.160 118.375 120.400 0.225 0.000 2.265 192 D HA -0.312 4.496 4.640 0.280 0.000 0.208 192 D C -0.655 175.796 176.300 0.251 0.000 0.977 192 D CA 2.696 56.848 54.000 0.253 0.000 0.871 192 D CB -0.313 40.633 40.800 0.243 0.000 0.925 192 D HN 0.525 9.014 8.370 0.198 0.000 0.485 193 Y N -0.059 120.299 120.300 0.098 0.000 2.461 193 Y HA -0.193 4.400 4.550 0.073 0.000 0.277 193 Y C -0.131 175.801 175.900 0.054 0.000 1.182 193 Y CA 0.050 58.193 58.100 0.070 0.000 1.276 193 Y CB 0.329 38.822 38.460 0.055 0.000 1.087 193 Y HN -0.432 8.003 8.280 0.329 0.043 0.519 194 G N -1.737 107.121 108.800 0.097 0.000 2.148 194 G HA2 -0.380 3.603 3.960 0.039 0.000 0.254 194 G HA3 -0.380 3.560 3.960 -0.032 0.000 0.254 194 G C -1.414 173.536 174.900 0.084 0.000 0.981 194 G CA 0.128 45.252 45.100 0.040 0.000 0.670 194 G HN -0.292 7.899 8.290 0.156 0.193 0.528 195 A N -0.157 122.753 122.820 0.151 0.000 2.376 195 A HA 0.126 4.518 4.320 0.121 0.000 0.298 195 A C -0.871 176.772 177.584 0.098 0.000 1.271 195 A CA -0.892 51.226 52.037 0.135 0.000 0.926 195 A CB 0.240 19.334 19.000 0.158 0.000 1.141 195 A HN -0.490 7.734 8.150 0.199 0.046 0.539 196 L N 7.399 128.666 121.223 0.073 0.000 2.534 196 L HA 0.151 4.739 4.340 0.073 -0.204 0.271 196 L C 0.460 177.370 176.870 0.066 0.000 1.178 196 L CA 0.171 55.050 54.840 0.066 0.000 0.907 196 L CB 0.685 42.772 42.059 0.048 0.000 1.164 196 L HN 0.324 8.593 8.230 0.065 0.000 0.482 197 T N 6.656 121.254 114.554 0.073 0.000 2.701 197 T HA 0.166 4.549 4.350 0.056 0.000 0.303 197 T C -1.274 173.458 174.700 0.054 0.000 1.030 197 T CA -1.209 60.929 62.100 0.064 0.000 1.010 197 T CB -0.699 68.213 68.868 0.072 0.000 1.007 197 T HN 0.648 8.938 8.240 0.084 0.000 0.532 198 P HA -0.013 4.425 4.420 0.030 0.000 0.272 198 P C -0.983 176.338 177.300 0.036 0.000 1.254 198 P CA -0.537 62.581 63.100 0.030 0.000 0.795 198 P CB 0.692 32.402 31.700 0.017 0.000 1.022 199 K N -0.285 120.129 120.400 0.023 0.000 2.489 199 K HA -0.326 4.145 4.320 0.032 -0.132 0.278 199 K C -0.439 176.148 176.600 -0.021 0.000 1.000 199 K CA 1.277 57.570 56.287 0.010 0.000 1.012 199 K CB 0.462 32.962 32.500 -0.001 0.000 0.903 199 K HN 0.046 8.306 8.250 0.017 0.000 0.485 200 M N 5.881 125.445 119.600 -0.061 0.000 2.644 200 M HA 0.242 4.667 4.480 -0.092 0.000 0.304 200 M C -1.284 174.844 176.300 -0.287 0.000 1.215 200 M CA -2.337 52.886 55.300 -0.128 0.000 0.871 200 M CB 4.160 36.715 32.600 -0.077 0.000 1.740 200 M HN 0.767 8.916 8.290 -0.059 0.106 0.464 201 T N 1.552 115.944 114.554 -0.271 0.000 2.701 201 T HA -0.137 4.036 4.350 -0.295 0.000 0.303 201 T C -0.584 173.735 174.700 -0.635 0.000 1.030 201 T CA 0.976 62.878 62.100 -0.330 0.000 1.010 201 T CB 1.114 69.869 68.868 -0.188 0.000 1.007 201 T HN 0.343 8.472 8.240 -0.186 0.000 0.532 202 G N -0.842 107.636 108.800 -0.536 0.000 2.630 202 G HA2 0.371 3.919 3.960 -0.686 0.000 0.296 202 G HA3 0.371 4.119 3.960 -0.407 -0.032 0.296 202 G C -2.035 172.742 174.900 -0.205 0.000 1.285 202 G CA -0.971 43.819 45.100 -0.516 0.000 0.958 202 G HN -0.252 7.849 8.290 -0.314 0.000 0.479 203 V N 0.789 120.579 119.914 -0.207 0.000 2.709 203 V HA 0.274 4.324 4.120 -0.116 0.000 0.308 203 V C -1.188 174.755 176.094 -0.252 0.000 1.062 203 V CA -0.617 61.575 62.300 -0.179 0.000 0.901 203 V CB 3.164 34.904 31.823 -0.137 0.000 1.003 203 V HN -0.207 7.832 8.190 -0.250 0.000 0.425 204 M N 3.928 123.471 119.600 -0.094 0.000 2.618 204 M HA 0.250 4.832 4.480 0.009 -0.096 0.281 204 M C -0.640 175.674 176.300 0.024 0.000 1.267 204 M CA -1.887 53.418 55.300 0.009 0.000 0.845 204 M CB 3.182 35.853 32.600 0.118 0.000 1.732 204 M HN -0.103 8.153 8.290 -0.056 0.000 0.461 205 E N 0.000 120.237 120.200 0.062 0.000 2.725 205 E HA 0.000 4.449 4.350 0.066 -0.059 0.291 205 E CA 0.000 56.430 56.400 0.050 0.000 0.976 205 E CB 0.000 29.726 29.700 0.043 0.000 0.812 205 E HN 0.000 8.327 8.360 0.111 0.099 0.440