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 1zy3_1_A DATA FIRST_RESID 1 DATA SEQUENCE ATPASAPDTR ALVADFVGYK LRQKGYVCGA GPGEGPAADP LHQAMRAAGD DATA SEQUENCE EFETRFRRTF SDLAAQLHVT PGSAQQRFTQ VSDELFQGGP NWGRLVAFFV DATA SEQUENCE FGAALCAESV NKEMEVLVGQ VQEWMVAYLE TRLADWIHSS GGWAEFTALY DATA SEQUENCE GDGALEEARR LREGNWASVR 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 A HA 0.000 4.329 4.320 0.015 0.000 0.244 1 A C 0.000 177.594 177.584 0.017 0.000 1.274 1 A CA 0.000 52.046 52.037 0.015 0.000 0.836 1 A CB 0.000 19.009 19.000 0.015 0.000 0.831 2 T N 4.185 118.750 114.554 0.019 0.000 3.150 2 T HA 0.207 4.570 4.350 0.022 0.000 0.383 2 T C -2.109 172.605 174.700 0.024 0.000 1.313 2 T CA -1.311 60.802 62.100 0.021 0.000 1.235 2 T CB 0.341 69.221 68.868 0.020 0.000 1.088 2 T HN -0.206 8.044 8.240 0.018 0.000 0.556 3 P HA 0.075 4.511 4.420 0.027 0.000 0.271 3 P C -1.322 175.998 177.300 0.032 0.000 1.220 3 P CA -0.166 62.951 63.100 0.029 0.000 0.768 3 P CB 0.601 32.320 31.700 0.032 0.000 0.848 4 A N 3.159 125.998 122.820 0.032 0.000 2.306 4 A HA 0.226 4.567 4.320 0.036 0.000 0.330 4 A C -0.339 177.267 177.584 0.037 0.000 1.146 4 A CA -0.639 51.418 52.037 0.034 0.000 0.827 4 A CB 1.483 20.501 19.000 0.030 0.000 1.178 4 A HN 0.021 8.189 8.150 0.029 0.000 0.490 5 S N 2.544 118.268 115.700 0.041 0.000 2.448 5 S HA 0.070 4.565 4.470 0.042 0.000 0.279 5 S C 0.281 174.905 174.600 0.040 0.000 1.195 5 S CA -0.002 58.224 58.200 0.042 0.000 1.051 5 S CB 0.422 63.652 63.200 0.049 0.000 0.948 5 S HN 0.253 8.587 8.310 0.041 0.000 0.493 6 A N 7.022 129.865 122.820 0.039 0.000 1.841 6 A HA 0.107 4.447 4.320 0.035 0.000 0.214 6 A C -1.331 176.277 177.584 0.041 0.000 1.195 6 A CA 0.768 52.828 52.037 0.038 0.000 0.611 6 A CB -1.229 17.794 19.000 0.038 0.000 0.835 6 A HN 0.499 8.673 8.150 0.040 0.000 0.443 7 P HA 0.170 4.618 4.420 0.047 0.000 0.290 7 P C -1.567 175.760 177.300 0.045 0.000 1.275 7 P CA -0.753 62.376 63.100 0.048 0.000 0.841 7 P CB 0.753 32.490 31.700 0.060 0.000 1.042 8 D N 0.923 121.352 120.400 0.049 0.000 2.341 8 D HA -0.033 4.640 4.640 0.054 0.000 0.245 8 D C 1.412 177.745 176.300 0.055 0.000 1.106 8 D CA -0.565 53.467 54.000 0.054 0.000 0.905 8 D CB 1.786 42.619 40.800 0.055 0.000 1.202 8 D HN 0.110 8.509 8.370 0.049 0.000 0.426 9 T N 4.283 118.878 114.554 0.067 0.000 2.737 9 T HA -0.423 3.945 4.350 0.030 0.000 0.269 9 T C 1.594 176.346 174.700 0.086 0.000 1.040 9 T CA 3.566 65.710 62.100 0.072 0.000 1.142 9 T CB 0.170 69.115 68.868 0.129 0.000 0.861 9 T HN 0.276 8.561 8.240 0.076 0.000 0.456 10 R N 0.398 120.955 120.500 0.095 0.000 2.120 10 R HA -0.284 4.130 4.340 0.124 0.000 0.234 10 R C 1.869 178.226 176.300 0.096 0.000 1.123 10 R CA 3.216 59.377 56.100 0.102 0.000 0.975 10 R CB -0.397 29.956 30.300 0.089 0.000 0.866 10 R HN 0.113 8.753 8.270 0.089 -0.318 0.446 11 A N -0.161 122.708 122.820 0.082 0.000 1.930 11 A HA -0.176 4.195 4.320 0.084 0.000 0.217 11 A C 2.147 179.796 177.584 0.109 0.000 1.175 11 A CA 2.840 54.928 52.037 0.086 0.000 0.627 11 A CB -0.820 18.224 19.000 0.074 0.000 0.815 11 A HN -0.336 7.735 8.150 0.073 0.123 0.443 12 L N -1.888 119.384 121.223 0.082 0.000 2.056 12 L HA -0.325 4.104 4.340 0.148 0.000 0.207 12 L C 2.157 179.119 176.870 0.155 0.000 1.078 12 L CA 3.447 58.326 54.840 0.064 0.000 0.749 12 L CB -0.133 41.842 42.059 -0.140 0.000 0.901 12 L HN -0.654 7.508 8.230 0.056 0.101 0.433 13 V N 0.201 120.212 119.914 0.161 0.000 2.343 13 V HA -0.494 3.828 4.120 0.336 0.000 0.247 13 V C 1.787 178.026 176.094 0.240 0.000 1.051 13 V CA 4.631 67.079 62.300 0.248 0.000 1.036 13 V CB -0.685 31.271 31.823 0.221 0.000 0.654 13 V HN -0.065 8.124 8.190 0.123 0.075 0.451 14 A N -0.997 121.924 122.820 0.168 0.000 1.933 14 A HA -0.378 4.009 4.320 0.111 0.000 0.218 14 A C 1.891 179.565 177.584 0.150 0.000 1.175 14 A CA 3.421 55.537 52.037 0.131 0.000 0.628 14 A CB -1.037 18.020 19.000 0.096 0.000 0.814 14 A HN 0.196 8.434 8.150 0.146 0.000 0.444 15 D N -0.752 119.761 120.400 0.189 0.000 2.144 15 D HA -0.263 4.460 4.640 0.138 0.000 0.200 15 D C 1.938 178.404 176.300 0.277 0.000 0.978 15 D CA 3.157 57.276 54.000 0.198 0.000 0.833 15 D CB 0.156 41.094 40.800 0.229 0.000 0.961 15 D HN -0.350 8.039 8.370 0.191 0.095 0.470 16 F N 1.263 121.323 119.950 0.183 0.000 2.084 16 F HA -0.334 4.365 4.527 0.287 0.000 0.296 16 F C 1.204 177.107 175.800 0.171 0.000 1.111 16 F CA 3.456 61.588 58.000 0.220 0.000 1.224 16 F CB 0.159 39.294 39.000 0.225 0.000 0.991 16 F HN -0.142 8.336 8.300 0.434 0.083 0.471 17 V N -0.306 119.641 119.914 0.056 0.000 2.343 17 V HA -0.546 3.413 4.120 -0.268 0.000 0.247 17 V C 2.228 178.282 176.094 -0.067 0.000 1.051 17 V CA 5.213 67.456 62.300 -0.094 0.000 1.036 17 V CB -0.448 31.373 31.823 -0.004 0.000 0.654 17 V HN 0.466 8.802 8.190 0.243 0.000 0.451 18 G N -1.237 107.582 108.800 0.032 0.000 2.418 18 G HA2 -0.331 3.642 3.960 0.022 0.000 0.217 18 G HA3 -0.331 3.712 3.960 0.076 -0.037 0.217 18 G C 0.877 175.834 174.900 0.094 0.000 1.158 18 G CA 2.178 47.310 45.100 0.052 0.000 0.771 18 G HN 0.277 8.499 8.290 0.077 0.114 0.545 19 Y N 3.178 123.445 120.300 -0.054 0.000 2.145 19 Y HA -0.377 4.160 4.550 -0.022 0.000 0.286 19 Y C 1.757 177.589 175.900 -0.114 0.000 1.145 19 Y CA 1.292 59.358 58.100 -0.056 0.000 1.148 19 Y CB -0.260 38.192 38.460 -0.013 0.000 0.981 19 Y HN 0.030 8.245 8.280 0.204 0.188 0.507 20 K N -1.714 118.547 120.400 -0.232 0.000 2.097 20 K HA -0.381 3.708 4.320 -0.384 0.000 0.206 20 K C 2.737 179.215 176.600 -0.203 0.000 1.049 20 K CA 2.504 58.595 56.287 -0.327 0.000 0.933 20 K CB -0.626 31.614 32.500 -0.434 0.000 0.717 20 K HN -0.020 8.091 8.250 -0.232 0.000 0.442 21 L N -1.552 119.592 121.223 -0.133 0.000 2.141 21 L HA -0.291 3.994 4.340 -0.092 0.000 0.209 21 L C 0.933 177.772 176.870 -0.050 0.000 1.094 21 L CA 2.321 57.113 54.840 -0.081 0.000 0.763 21 L CB -0.010 42.019 42.059 -0.050 0.000 0.908 21 L HN -0.113 7.953 8.230 -0.122 0.091 0.437 22 R N -3.374 117.109 120.500 -0.029 0.000 2.127 22 R HA -0.197 4.165 4.340 0.037 0.000 0.217 22 R C 2.621 178.896 176.300 -0.042 0.000 1.074 22 R CA 2.650 58.760 56.100 0.017 0.000 0.991 22 R CB -0.044 30.323 30.300 0.112 0.000 0.895 22 R HN -0.356 7.777 8.270 -0.024 0.123 0.450 23 Q N -1.991 117.704 119.800 -0.174 0.000 2.291 23 Q HA -0.234 3.968 4.340 -0.231 0.000 0.206 23 Q C 1.343 177.264 176.000 -0.132 0.000 0.976 23 Q CA 2.129 57.791 55.803 -0.236 0.000 0.875 23 Q CB -0.288 28.217 28.738 -0.388 0.000 0.927 23 Q HN 0.230 8.178 8.270 -0.222 0.189 0.450 24 K N -4.250 116.094 120.400 -0.093 0.000 2.500 24 K HA 0.113 4.396 4.320 -0.063 0.000 0.206 24 K C -0.172 176.414 176.600 -0.022 0.000 1.034 24 K CA -0.085 56.166 56.287 -0.059 0.000 1.179 24 K CB -0.464 32.001 32.500 -0.059 0.000 0.884 24 K HN -0.639 7.513 8.250 -0.097 0.040 0.493 25 G N -0.047 108.756 108.800 0.004 0.000 3.198 25 G HA2 0.050 4.037 3.960 0.045 0.000 0.212 25 G HA3 0.050 4.046 3.960 0.060 0.000 0.212 25 G C -1.551 173.444 174.900 0.158 0.000 1.467 25 G CA 0.767 45.904 45.100 0.060 0.000 0.740 25 G HN -0.163 7.944 8.290 -0.010 0.177 0.930 26 Y N 2.219 122.504 120.300 -0.024 0.000 2.298 26 Y HA 0.129 4.672 4.550 -0.011 0.000 0.322 26 Y C -1.937 173.965 175.900 0.003 0.000 1.138 26 Y CA -0.178 57.916 58.100 -0.009 0.000 1.127 26 Y CB 2.944 41.404 38.460 0.001 0.000 1.178 26 Y HN 0.206 8.466 8.280 0.136 0.101 0.428 27 V N 7.385 127.163 119.914 -0.227 0.000 2.425 27 V HA -0.179 4.082 4.120 -0.053 -0.173 0.276 27 V C -0.213 175.843 176.094 -0.064 0.000 1.017 27 V CA 1.067 63.291 62.300 -0.128 0.000 1.062 27 V CB -0.407 31.325 31.823 -0.152 0.000 0.997 27 V HN 0.005 7.984 8.190 -0.352 0.000 0.476 28 C N 7.685 127.066 119.300 0.136 0.000 2.369 28 C HA 0.193 4.711 4.460 0.096 0.000 0.322 28 C C -0.865 174.219 174.990 0.158 0.000 1.258 28 C CA -0.681 58.430 59.018 0.154 0.000 1.487 28 C CB 1.188 29.046 27.740 0.196 0.000 2.165 28 C HN 0.260 8.625 8.230 0.224 0.000 0.483 29 G N 5.471 114.313 108.800 0.070 0.000 2.286 29 G HA2 -0.100 3.841 3.960 -0.032 0.000 0.118 29 G HA3 -0.100 3.850 3.960 -0.016 0.000 0.118 29 G C -2.007 172.899 174.900 0.009 0.000 1.267 29 G CA -0.113 44.991 45.100 0.006 0.000 1.171 29 G HN 0.267 8.591 8.290 0.056 0.000 0.465 30 A N -0.858 121.968 122.820 0.010 0.000 2.568 30 A HA 0.270 4.597 4.320 0.012 0.000 0.291 30 A C -1.784 175.818 177.584 0.030 0.000 1.159 30 A CA 0.149 52.193 52.037 0.011 0.000 0.679 30 A CB 1.070 20.066 19.000 -0.007 0.000 1.285 30 A HN 0.148 8.301 8.150 0.005 0.000 0.428 31 G N 0.028 108.841 108.800 0.022 0.000 2.716 31 G HA2 0.281 4.270 3.960 0.048 0.000 0.333 31 G HA3 0.281 4.256 3.960 0.024 0.000 0.333 31 G C -2.372 172.542 174.900 0.024 0.000 1.168 31 G CA -0.961 44.157 45.100 0.030 0.000 1.064 31 G HN -0.133 8.165 8.290 0.012 0.000 0.479 32 P HA 0.151 4.581 4.420 0.017 0.000 0.269 32 P C -0.860 176.457 177.300 0.028 0.000 1.252 32 P CA -0.252 62.864 63.100 0.026 0.000 0.780 32 P CB 0.451 32.171 31.700 0.033 0.000 0.829 33 G N 2.678 111.490 108.800 0.020 0.000 2.851 33 G HA2 0.057 4.029 3.960 0.021 0.000 0.208 33 G HA3 0.057 4.025 3.960 0.013 0.000 0.208 33 G C -1.189 173.718 174.900 0.013 0.000 1.894 33 G CA 0.047 45.157 45.100 0.017 0.000 0.732 33 G HN 0.234 8.533 8.290 0.015 0.000 0.802 34 E N 1.829 122.034 120.200 0.008 0.000 2.104 34 E HA -0.028 4.326 4.350 0.005 0.000 0.278 34 E C -0.288 176.316 176.600 0.006 0.000 1.127 34 E CA 0.007 56.410 56.400 0.006 0.000 0.897 34 E CB -0.349 29.353 29.700 0.003 0.000 1.043 34 E HN 0.162 8.526 8.360 0.008 0.000 0.410 35 G N 4.900 113.704 108.800 0.008 0.000 3.112 35 G HA2 -0.039 3.925 3.960 0.007 0.000 0.234 35 G HA3 -0.039 3.926 3.960 0.008 0.000 0.234 35 G C -2.576 172.331 174.900 0.012 0.000 3.847 35 G CA -0.715 44.390 45.100 0.008 0.000 0.449 35 G HN -0.087 8.208 8.290 0.008 0.000 0.332 36 P HA 0.036 4.465 4.420 0.015 0.000 0.260 36 P C -0.567 176.743 177.300 0.018 0.000 1.185 36 P CA 0.259 63.367 63.100 0.013 0.000 0.763 36 P CB 0.207 31.911 31.700 0.008 0.000 0.776 37 A N 4.819 127.655 122.820 0.026 0.000 2.288 37 A HA 0.145 4.480 4.320 0.024 0.000 0.328 37 A C -0.642 176.964 177.584 0.037 0.000 1.123 37 A CA -0.529 51.526 52.037 0.030 0.000 0.861 37 A CB 0.977 19.997 19.000 0.034 0.000 1.272 37 A HN -0.112 8.056 8.150 0.030 0.000 0.490 38 A N -0.259 122.584 122.820 0.038 0.000 2.370 38 A HA 0.161 4.505 4.320 0.040 0.000 0.238 38 A C -1.072 176.545 177.584 0.055 0.000 1.289 38 A CA 0.442 52.504 52.037 0.042 0.000 0.885 38 A CB 0.058 19.079 19.000 0.036 0.000 0.961 38 A HN -0.031 8.140 8.150 0.036 0.000 0.499 39 D N -0.025 120.415 120.400 0.066 0.000 2.432 39 D HA 0.386 5.069 4.640 0.073 0.000 0.265 39 D C -1.034 175.320 176.300 0.092 0.000 1.160 39 D CA -2.211 51.840 54.000 0.086 0.000 0.911 39 D CB 1.933 42.809 40.800 0.128 0.000 1.052 39 D HN -0.355 7.948 8.370 0.062 0.104 0.508 40 P HA 0.204 4.705 4.420 0.134 0.000 0.251 40 P C 0.609 177.941 177.300 0.053 0.000 1.223 40 P CA 0.567 63.733 63.100 0.110 0.000 0.796 40 P CB 1.257 33.036 31.700 0.132 0.000 1.068 41 L N 1.321 122.529 121.223 -0.025 0.000 2.005 41 L HA -0.432 3.773 4.340 -0.226 0.000 0.207 41 L C 1.782 178.501 176.870 -0.252 0.000 1.072 41 L CA 3.757 58.481 54.840 -0.194 0.000 0.744 41 L CB -0.656 41.253 42.059 -0.250 0.000 0.895 41 L HN -0.677 7.564 8.230 0.006 -0.008 0.433 42 H N -2.713 116.308 119.070 -0.082 0.000 2.387 42 H HA -0.301 4.207 4.556 -0.080 0.000 0.299 42 H C 2.792 178.095 175.328 -0.042 0.000 1.090 42 H CA 4.083 60.097 56.048 -0.056 0.000 1.332 42 H CB -0.253 29.502 29.762 -0.011 0.000 1.386 42 H HN 0.160 8.815 8.280 -0.011 -0.382 0.516 43 Q N -1.463 118.397 119.800 0.099 0.000 2.079 43 Q HA -0.222 4.192 4.340 0.123 0.000 0.200 43 Q C 2.202 178.153 176.000 -0.083 0.000 0.974 43 Q CA 2.406 58.262 55.803 0.088 0.000 0.840 43 Q CB -0.472 28.364 28.738 0.164 0.000 0.898 43 Q HN -0.179 8.151 8.270 0.116 0.010 0.430 44 A N 0.505 123.167 122.820 -0.262 0.000 1.898 44 A HA -0.326 3.125 4.320 -1.449 0.000 0.216 44 A C 1.960 179.282 177.584 -0.437 0.000 1.181 44 A CA 3.243 54.885 52.037 -0.660 0.000 0.620 44 A CB -0.717 18.028 19.000 -0.425 0.000 0.819 44 A HN 0.363 8.243 8.150 -0.138 0.187 0.442 45 M N -1.817 117.514 119.600 -0.449 0.000 2.117 45 M HA -0.426 3.559 4.480 -0.826 0.000 0.262 45 M C 2.211 178.239 176.300 -0.453 0.000 1.065 45 M CA 4.000 58.924 55.300 -0.626 0.000 1.114 45 M CB -0.098 32.115 32.600 -0.645 0.000 1.361 45 M HN 0.078 8.130 8.290 -0.396 0.000 0.408 46 R N -1.275 119.173 120.500 -0.086 0.000 2.070 46 R HA -0.325 4.371 4.340 0.593 0.000 0.233 46 R C 2.404 178.824 176.300 0.199 0.000 1.137 46 R CA 2.882 59.129 56.100 0.244 0.000 0.945 46 R CB -0.151 30.309 30.300 0.267 0.000 0.845 46 R HN -0.364 7.866 8.270 -0.067 0.000 0.430 47 A N -1.586 121.271 122.820 0.061 0.000 1.933 47 A HA -0.227 4.191 4.320 0.163 0.000 0.218 47 A C 1.772 179.476 177.584 0.200 0.000 1.175 47 A CA 2.771 54.865 52.037 0.094 0.000 0.628 47 A CB -0.615 18.370 19.000 -0.025 0.000 0.814 47 A HN 0.137 8.264 8.150 -0.039 0.000 0.444 48 A N -2.535 120.377 122.820 0.153 0.000 1.986 48 A HA -0.220 4.347 4.320 0.412 0.000 0.220 48 A C 0.854 178.784 177.584 0.578 0.000 1.171 48 A CA 2.457 54.694 52.037 0.334 0.000 0.640 48 A CB -0.284 18.784 19.000 0.113 0.000 0.811 48 A HN 0.261 8.199 8.150 -0.024 0.198 0.451 49 G N -5.551 103.596 108.800 0.578 0.000 4.331 49 G HA2 0.271 4.841 3.960 1.016 0.000 0.299 49 G HA3 0.271 4.703 3.960 0.787 0.000 0.299 49 G C -1.993 173.172 174.900 0.442 0.000 1.158 49 G CA -0.613 44.925 45.100 0.729 0.000 0.916 49 G HN -0.687 7.739 8.290 0.433 0.123 0.553 50 D N -1.024 119.548 120.400 0.287 0.000 1.979 50 D HA 0.103 4.700 4.640 -0.072 0.000 0.399 50 D C 0.799 177.115 176.300 0.027 0.000 1.016 50 D CA 1.310 55.353 54.000 0.072 0.000 0.928 50 D CB 1.483 42.366 40.800 0.139 0.000 1.739 50 D HN -0.270 8.188 8.370 0.405 0.155 0.537 51 E N 0.620 120.931 120.200 0.185 0.000 1.998 51 E HA -0.306 4.121 4.350 0.130 0.000 0.196 51 E C 2.056 178.764 176.600 0.180 0.000 1.003 51 E CA 3.405 59.923 56.400 0.197 0.000 0.829 51 E CB 0.040 29.905 29.700 0.276 0.000 0.777 51 E HN 0.314 8.721 8.360 0.284 0.123 0.460 52 F N -2.792 117.248 119.950 0.151 0.000 2.161 52 F HA -0.357 4.275 4.527 0.174 0.000 0.300 52 F C 1.613 177.523 175.800 0.184 0.000 1.089 52 F CA 2.406 60.519 58.000 0.188 0.000 1.282 52 F CB -1.021 38.127 39.000 0.246 0.000 1.010 52 F HN -0.092 8.695 8.300 0.812 0.000 0.485 53 E N -0.242 119.376 120.200 -0.970 0.000 2.077 53 E HA -0.372 3.500 4.350 -0.796 0.000 0.193 53 E C 1.959 178.369 176.600 -0.318 0.000 0.989 53 E CA 2.353 58.260 56.400 -0.822 0.000 0.800 53 E CB -0.707 28.375 29.700 -1.029 0.000 0.746 53 E HN -0.115 7.495 8.360 -1.221 0.018 0.452 54 T N -2.043 112.387 114.554 -0.205 0.000 2.962 54 T HA -0.199 4.074 4.350 -0.127 0.000 0.270 54 T C 0.851 175.533 174.700 -0.029 0.000 1.088 54 T CA 2.385 64.424 62.100 -0.101 0.000 1.127 54 T CB 0.068 68.899 68.868 -0.061 0.000 0.883 54 T HN -0.408 7.707 8.240 -0.209 0.000 0.493 55 R N -2.221 118.289 120.500 0.017 0.000 2.397 55 R HA 0.099 4.450 4.340 0.019 0.000 0.241 55 R C -0.293 176.050 176.300 0.071 0.000 0.914 55 R CA 0.030 56.157 56.100 0.045 0.000 1.071 55 R CB 0.575 30.913 30.300 0.063 0.000 1.116 55 R HN -0.712 7.412 8.270 0.016 0.155 0.524 56 F N -1.563 118.353 119.950 -0.057 0.000 2.350 56 F HA 0.082 4.618 4.527 0.016 0.000 0.253 56 F C -0.005 175.760 175.800 -0.058 0.000 1.088 56 F CA 1.101 59.080 58.000 -0.034 0.000 1.037 56 F CB 2.172 41.145 39.000 -0.046 0.000 1.107 56 F HN -0.602 7.580 8.300 0.133 0.198 0.603 57 R N -5.540 115.169 120.500 0.348 0.000 4.102 57 R HA -0.023 4.356 4.340 0.064 0.000 0.031 57 R C -1.824 174.460 176.300 -0.026 0.000 0.815 57 R CA 1.162 57.353 56.100 0.153 0.000 2.664 57 R CB 1.191 31.638 30.300 0.245 0.000 1.047 57 R HN -0.473 8.109 8.270 0.260 -0.157 0.497 58 R N -1.877 118.574 120.500 -0.082 0.000 2.714 58 R HA 0.300 4.622 4.340 -0.361 -0.198 0.214 58 R C -0.524 175.568 176.300 -0.345 0.000 1.474 58 R CA -0.235 55.719 56.100 -0.243 0.000 1.435 58 R CB 0.220 30.442 30.300 -0.131 0.000 1.517 58 R HN 0.085 8.381 8.270 0.043 0.000 0.748 59 T N 3.936 118.115 114.554 -0.625 0.000 2.778 59 T HA -0.414 3.328 4.350 -1.013 0.000 0.269 59 T C 1.930 176.511 174.700 -0.198 0.000 1.050 59 T CA 4.719 66.396 62.100 -0.704 0.000 1.137 59 T CB -0.228 68.240 68.868 -0.668 0.000 0.860 59 T HN 0.866 9.213 8.240 -0.667 -0.507 0.468 60 F N 0.609 120.362 119.950 -0.328 0.000 2.307 60 F HA -0.224 4.117 4.527 -0.309 0.000 0.301 60 F C 1.068 176.709 175.800 -0.265 0.000 1.076 60 F CA 1.577 59.408 58.000 -0.281 0.000 1.383 60 F CB -0.677 38.187 39.000 -0.228 0.000 1.055 60 F HN -0.231 8.167 8.300 -0.262 -0.255 0.526 61 S N -2.141 113.533 115.700 -0.043 0.000 2.830 61 S HA 0.106 4.517 4.470 -0.099 0.000 0.249 61 S C 1.307 175.864 174.600 -0.073 0.000 1.084 61 S CA 1.609 59.765 58.200 -0.074 0.000 0.852 61 S CB 2.021 65.191 63.200 -0.050 0.000 0.802 61 S HN 0.105 8.196 8.310 -0.078 0.172 0.481 62 D N 2.637 122.986 120.400 -0.084 0.000 2.097 62 D HA -0.241 4.415 4.640 0.027 0.000 0.195 62 D C 1.594 177.894 176.300 0.000 0.000 0.989 62 D CA 3.630 57.619 54.000 -0.017 0.000 0.827 62 D CB 0.456 41.278 40.800 0.036 0.000 0.966 62 D HN 0.301 8.479 8.370 -0.127 0.116 0.456 63 L N -0.180 120.989 121.223 -0.090 0.000 2.127 63 L HA -0.274 4.124 4.340 0.098 0.000 0.211 63 L C 1.565 178.461 176.870 0.044 0.000 1.089 63 L CA 2.892 57.733 54.840 0.002 0.000 0.757 63 L CB -0.118 41.911 42.059 -0.049 0.000 0.899 63 L HN -0.593 7.399 8.230 -0.222 0.105 0.434 64 A N -3.584 119.214 122.820 -0.036 0.000 2.123 64 A HA -0.118 4.226 4.320 0.041 0.000 0.214 64 A C 0.361 177.960 177.584 0.025 0.000 1.152 64 A CA 1.930 53.946 52.037 -0.034 0.000 0.728 64 A CB -0.793 18.096 19.000 -0.184 0.000 0.814 64 A HN -0.014 7.977 8.150 -0.093 0.103 0.464 65 A N -0.287 122.557 122.820 0.040 0.000 1.887 65 A HA -0.133 4.254 4.320 0.112 0.000 0.212 65 A C 2.175 179.847 177.584 0.147 0.000 1.198 65 A CA 1.619 53.713 52.037 0.094 0.000 0.628 65 A CB 0.777 19.814 19.000 0.061 0.000 0.847 65 A HN -0.346 7.632 8.150 0.019 0.183 0.449 66 Q N -1.836 118.040 119.800 0.127 0.000 2.364 66 Q HA -0.191 4.219 4.340 0.117 0.000 0.207 66 Q C 1.001 177.082 176.000 0.135 0.000 0.970 66 Q CA 2.494 58.375 55.803 0.130 0.000 0.888 66 Q CB -0.068 28.756 28.738 0.143 0.000 0.951 66 Q HN 0.403 8.633 8.270 0.112 0.108 0.469 67 L N -3.621 117.698 121.223 0.160 0.000 2.769 67 L HA 0.242 4.662 4.340 0.132 0.000 0.240 67 L C -0.273 176.723 176.870 0.211 0.000 1.163 67 L CA -0.974 53.965 54.840 0.165 0.000 0.962 67 L CB -1.114 41.051 42.059 0.177 0.000 1.258 67 L HN -0.634 7.648 8.230 0.162 0.045 0.513 68 H N 0.611 119.735 119.070 0.089 0.000 2.517 68 H HA 0.029 4.650 4.556 0.109 0.000 0.282 68 H C 0.383 175.752 175.328 0.067 0.000 1.023 68 H CA 0.067 56.167 56.048 0.088 0.000 1.169 68 H CB 0.474 30.283 29.762 0.077 0.000 1.454 68 H HN -0.302 7.931 8.280 0.252 0.198 0.556 69 V N -1.339 118.590 119.914 0.024 0.000 2.407 69 V HA -0.162 3.907 4.120 -0.085 0.000 0.245 69 V C 0.554 176.617 176.094 -0.051 0.000 1.041 69 V CA 1.965 64.243 62.300 -0.036 0.000 1.040 69 V CB 0.094 31.924 31.823 0.012 0.000 0.671 69 V HN -0.114 8.042 8.190 0.090 0.088 0.455 70 T N 3.684 118.235 114.554 -0.005 0.000 2.817 70 T HA 0.244 4.585 4.350 -0.014 0.000 0.293 70 T C -2.109 172.589 174.700 -0.004 0.000 0.964 70 T CA -2.197 59.902 62.100 -0.002 0.000 1.085 70 T CB 0.461 69.341 68.868 0.020 0.000 0.921 70 T HN -0.530 7.728 8.240 0.029 0.000 0.502 71 P HA -0.063 4.343 4.420 -0.023 0.000 0.256 71 P C -0.103 177.207 177.300 0.016 0.000 1.189 71 P CA 0.159 63.253 63.100 -0.010 0.000 0.808 71 P CB 0.227 31.918 31.700 -0.014 0.000 0.793 72 G N 2.826 111.655 108.800 0.050 0.000 2.773 72 G HA2 0.155 4.126 3.960 0.019 0.000 0.186 72 G HA3 0.155 4.171 3.960 0.095 0.000 0.186 72 G C -1.112 173.775 174.900 -0.020 0.000 1.411 72 G CA -0.653 44.471 45.100 0.040 0.000 1.054 72 G HN 0.018 8.353 8.290 0.075 0.000 0.579 73 S N -0.748 114.886 115.700 -0.110 0.000 3.070 73 S HA 0.215 4.626 4.470 -0.097 0.000 0.320 73 S C -1.129 173.242 174.600 -0.381 0.000 1.215 73 S CA -0.597 57.499 58.200 -0.173 0.000 0.956 73 S CB 1.816 64.925 63.200 -0.152 0.000 1.337 73 S HN -0.119 8.102 8.310 -0.147 0.000 0.639 74 A N 0.724 123.335 122.820 -0.349 0.000 2.599 74 A HA 0.222 4.294 4.320 -0.413 0.000 0.257 74 A C 1.359 178.493 177.584 -0.749 0.000 1.641 74 A CA -0.181 51.599 52.037 -0.428 0.000 0.842 74 A CB 0.485 19.387 19.000 -0.164 0.000 1.599 74 A HN 0.135 8.152 8.150 -0.221 0.000 0.585 75 Q N -1.160 118.440 119.800 -0.333 0.000 2.197 75 Q HA -0.318 4.093 4.340 0.119 0.000 0.207 75 Q C 1.986 177.946 176.000 -0.066 0.000 0.984 75 Q CA 3.108 58.868 55.803 -0.072 0.000 0.869 75 Q CB -0.522 28.280 28.738 0.108 0.000 0.906 75 Q HN 0.521 8.703 8.270 -0.146 0.000 0.426 76 Q N -3.496 116.272 119.800 -0.052 0.000 2.439 76 Q HA -0.185 4.280 4.340 0.207 0.000 0.211 76 Q C 1.371 177.309 176.000 -0.102 0.000 0.978 76 Q CA 2.242 58.071 55.803 0.045 0.000 0.897 76 Q CB -0.839 27.959 28.738 0.100 0.000 0.956 76 Q HN 0.250 8.442 8.270 -0.082 0.029 0.483 77 R N -1.957 118.401 120.500 -0.236 0.000 2.250 77 R HA -0.003 4.241 4.340 -0.160 0.000 0.194 77 R C 0.966 177.166 176.300 -0.168 0.000 0.927 77 R CA 0.394 56.359 56.100 -0.225 0.000 1.052 77 R CB 0.505 30.650 30.300 -0.258 0.000 1.055 77 R HN 0.041 7.887 8.270 -0.376 0.199 0.537 78 F N -0.074 119.819 119.950 -0.095 0.000 2.039 78 F HA -0.176 4.244 4.527 -0.179 0.000 0.294 78 F C 2.523 177.983 175.800 -0.567 0.000 1.130 78 F CA 2.303 60.193 58.000 -0.183 0.000 1.189 78 F CB -0.731 38.334 39.000 0.107 0.000 0.983 78 F HN -0.538 7.428 8.300 -0.372 0.111 0.471 79 T N -0.206 114.247 114.554 -0.169 0.000 2.962 79 T HA -0.225 3.755 4.350 -0.617 0.000 0.270 79 T C 1.784 176.246 174.700 -0.397 0.000 1.088 79 T CA 3.249 65.098 62.100 -0.418 0.000 1.127 79 T CB -0.722 67.948 68.868 -0.329 0.000 0.883 79 T HN -0.607 7.650 8.240 0.030 0.000 0.493 80 Q N 1.146 120.790 119.800 -0.259 0.000 2.311 80 Q HA -0.111 4.212 4.340 -0.207 -0.106 0.203 80 Q C 2.144 178.043 176.000 -0.168 0.000 0.954 80 Q CA 2.291 57.972 55.803 -0.203 0.000 0.885 80 Q CB -0.828 27.805 28.738 -0.175 0.000 0.963 80 Q HN 0.041 8.055 8.270 -0.207 0.132 0.471 81 V N -1.001 118.777 119.914 -0.227 0.000 2.809 81 V HA -0.250 3.807 4.120 -0.105 0.000 0.256 81 V C 0.806 176.803 176.094 -0.163 0.000 1.080 81 V CA 2.960 65.152 62.300 -0.179 0.000 1.102 81 V CB -0.363 31.353 31.823 -0.178 0.000 0.705 81 V HN -0.515 7.359 8.190 -0.293 0.140 0.475 82 S N -1.060 114.506 115.700 -0.223 0.000 2.395 82 S HA -0.216 4.231 4.470 -0.038 0.000 0.225 82 S C 1.903 176.648 174.600 0.242 0.000 1.027 82 S CA 3.905 62.097 58.200 -0.012 0.000 0.965 82 S CB -0.151 63.048 63.200 -0.002 0.000 0.812 82 S HN -0.620 7.337 8.310 -0.373 0.130 0.482 83 D N 1.068 121.617 120.400 0.247 0.000 2.224 83 D HA -0.210 4.673 4.640 0.404 0.000 0.205 83 D C 1.646 178.029 176.300 0.139 0.000 0.965 83 D CA 2.821 56.952 54.000 0.219 0.000 0.852 83 D CB 0.205 40.938 40.800 -0.113 0.000 0.947 83 D HN -0.624 7.804 8.370 0.097 0.000 0.494 84 E N -0.016 120.213 120.200 0.047 0.000 2.070 84 E HA -0.339 4.026 4.350 0.024 0.000 0.197 84 E C 1.443 178.059 176.600 0.028 0.000 1.004 84 E CA 2.942 59.355 56.400 0.021 0.000 0.805 84 E CB -0.207 29.483 29.700 -0.017 0.000 0.744 84 E HN -0.404 7.850 8.360 0.009 0.111 0.451 85 L N -3.370 117.858 121.223 0.009 0.000 2.341 85 L HA -0.120 4.197 4.340 -0.039 0.000 0.214 85 L C 1.889 178.724 176.870 -0.059 0.000 1.115 85 L CA 1.201 56.015 54.840 -0.044 0.000 0.820 85 L CB -0.561 41.443 42.059 -0.092 0.000 0.944 85 L HN -0.519 7.717 8.230 0.009 0.000 0.452 86 F N 1.302 121.192 119.950 -0.099 0.000 2.216 86 F HA -0.280 4.102 4.527 -0.242 0.000 0.300 86 F C 2.429 178.114 175.800 -0.192 0.000 1.085 86 F CA 2.762 60.656 58.000 -0.177 0.000 1.326 86 F CB -0.384 38.528 39.000 -0.147 0.000 1.027 86 F HN -0.520 7.734 8.300 0.162 0.143 0.497 87 Q N -3.784 116.096 119.800 0.133 0.000 2.291 87 Q HA -0.176 4.222 4.340 0.097 0.000 0.206 87 Q C 0.965 176.985 176.000 0.032 0.000 0.976 87 Q CA 2.071 57.923 55.803 0.082 0.000 0.875 87 Q CB 0.305 29.092 28.738 0.081 0.000 0.927 87 Q HN -0.409 7.931 8.270 0.149 0.020 0.450 88 G N -3.852 104.941 108.800 -0.013 0.000 4.885 88 G HA2 0.249 4.203 3.960 -0.010 0.000 0.263 88 G HA3 0.249 4.196 3.960 -0.023 0.000 0.263 88 G C -1.202 173.640 174.900 -0.095 0.000 1.168 88 G CA 0.160 45.239 45.100 -0.034 0.000 0.906 88 G HN -0.600 7.508 8.290 -0.018 0.171 0.575 89 G N -0.290 108.409 108.800 -0.168 0.000 3.069 89 G HA2 -0.086 3.739 3.960 -0.224 0.000 0.235 89 G HA3 -0.086 3.733 3.960 -0.234 0.000 0.235 89 G C -3.017 171.637 174.900 -0.410 0.000 3.841 89 G CA 0.394 45.343 45.100 -0.253 0.000 0.498 89 G HN -0.701 7.485 8.290 -0.174 0.000 0.354 90 P HA 0.068 4.001 4.420 -0.811 0.000 0.228 90 P C -1.582 175.426 177.300 -0.486 0.000 1.748 90 P CA -1.539 61.223 63.100 -0.564 0.000 0.909 90 P CB -1.243 29.980 31.700 -0.795 0.000 1.882 91 N N 0.686 119.044 118.700 -0.570 0.000 2.399 91 N HA -0.152 4.246 4.740 -0.571 0.000 0.250 91 N C 1.834 177.038 175.510 -0.509 0.000 1.272 91 N CA -1.031 51.622 53.050 -0.661 0.000 0.928 91 N CB 1.764 39.712 38.487 -0.899 0.000 1.158 91 N HN -0.315 7.605 8.380 -0.601 0.100 0.463 92 W N 0.005 121.289 121.300 -0.028 0.000 2.325 92 W HA -0.279 4.444 4.660 0.105 0.000 0.299 92 W C 1.483 178.022 176.519 0.034 0.000 1.215 92 W CA 2.358 59.743 57.345 0.068 0.000 1.244 92 W CB -1.018 28.527 29.460 0.142 0.000 1.140 92 W HN 0.485 7.871 8.180 -1.324 0.000 0.523 93 G N -0.701 108.193 108.800 0.158 0.000 2.471 93 G HA2 -0.265 3.849 3.960 0.258 0.000 0.219 93 G HA3 -0.265 3.727 3.960 0.054 0.000 0.219 93 G C 1.447 176.294 174.900 -0.088 0.000 1.125 93 G CA 1.457 46.624 45.100 0.112 0.000 0.775 93 G HN 0.378 8.478 8.290 -0.299 0.010 0.548 94 R N 2.446 122.758 120.500 -0.313 0.000 2.093 94 R HA -0.100 4.041 4.340 -0.332 0.000 0.224 94 R C 1.881 177.980 176.300 -0.336 0.000 1.101 94 R CA 2.095 57.870 56.100 -0.542 0.000 0.979 94 R CB -0.278 29.300 30.300 -1.204 0.000 0.877 94 R HN -0.302 7.565 8.270 -0.398 0.163 0.441 95 L N -0.081 121.045 121.223 -0.161 0.000 2.046 95 L HA -0.222 4.427 4.340 0.515 0.000 0.208 95 L C 1.646 178.684 176.870 0.279 0.000 1.077 95 L CA 3.202 58.178 54.840 0.227 0.000 0.747 95 L CB -0.311 41.849 42.059 0.169 0.000 0.896 95 L HN -0.551 7.546 8.230 -0.222 0.000 0.432 96 V N -1.015 119.019 119.914 0.200 0.000 2.307 96 V HA -0.529 3.741 4.120 0.251 0.000 0.245 96 V C 1.743 177.940 176.094 0.171 0.000 1.045 96 V CA 4.054 66.470 62.300 0.193 0.000 1.024 96 V CB -1.133 30.754 31.823 0.108 0.000 0.651 96 V HN -0.121 8.171 8.190 0.170 0.000 0.449 97 A N 0.784 123.665 122.820 0.102 0.000 1.902 97 A HA -0.329 4.045 4.320 0.090 0.000 0.217 97 A C 1.858 179.664 177.584 0.370 0.000 1.181 97 A CA 3.295 55.440 52.037 0.180 0.000 0.623 97 A CB -0.754 18.338 19.000 0.154 0.000 0.818 97 A HN 0.057 8.130 8.150 0.053 0.109 0.443 98 F N -0.378 119.721 119.950 0.249 0.000 2.134 98 F HA -0.403 4.255 4.527 0.217 0.000 0.299 98 F C 1.332 177.320 175.800 0.313 0.000 1.097 98 F CA 4.106 62.276 58.000 0.284 0.000 1.264 98 F CB 0.414 39.644 39.000 0.382 0.000 1.001 98 F HN -0.071 8.513 8.300 0.474 0.000 0.479 99 F N 0.470 120.649 119.950 0.383 0.000 2.128 99 F HA -0.381 4.325 4.527 0.299 0.000 0.295 99 F C 1.237 177.151 175.800 0.190 0.000 1.100 99 F CA 3.256 61.418 58.000 0.270 0.000 1.260 99 F CB 0.440 39.569 39.000 0.215 0.000 1.009 99 F HN -0.356 8.340 8.300 0.660 0.000 0.476 100 V N 0.514 120.550 119.914 0.203 0.000 2.407 100 V HA -0.630 3.493 4.120 0.005 0.000 0.248 100 V C 1.059 177.108 176.094 -0.076 0.000 1.055 100 V CA 4.153 66.503 62.300 0.084 0.000 1.049 100 V CB 0.027 32.025 31.823 0.292 0.000 0.662 100 V HN 0.574 8.878 8.190 0.368 0.107 0.455 101 F N -0.532 119.364 119.950 -0.091 0.000 2.102 101 F HA -0.337 4.091 4.527 -0.165 0.000 0.298 101 F C 1.997 177.677 175.800 -0.200 0.000 1.105 101 F CA 4.786 62.692 58.000 -0.156 0.000 1.239 101 F CB -0.255 38.655 39.000 -0.151 0.000 0.991 101 F HN 0.309 8.760 8.300 0.252 0.000 0.474 102 G N -2.290 106.501 108.800 -0.016 0.000 2.404 102 G HA2 -0.436 3.503 3.960 -0.034 0.000 0.215 102 G HA3 -0.436 3.462 3.960 -0.103 0.000 0.215 102 G C 0.518 175.334 174.900 -0.140 0.000 1.174 102 G CA 1.736 46.787 45.100 -0.083 0.000 0.780 102 G HN -0.401 7.879 8.290 -0.017 0.000 0.537 103 A N 1.815 124.479 122.820 -0.260 0.000 1.883 103 A HA -0.277 3.924 4.320 -0.198 0.000 0.217 103 A C 1.871 179.318 177.584 -0.229 0.000 1.186 103 A CA 3.106 54.987 52.037 -0.260 0.000 0.624 103 A CB -0.708 18.083 19.000 -0.348 0.000 0.822 103 A HN 0.252 8.202 8.150 -0.333 0.000 0.444 104 A N -1.018 121.622 122.820 -0.301 0.000 1.877 104 A HA -0.251 3.801 4.320 -0.446 0.000 0.216 104 A C 2.170 179.581 177.584 -0.288 0.000 1.186 104 A CA 3.076 54.866 52.037 -0.412 0.000 0.620 104 A CB -0.721 17.898 19.000 -0.635 0.000 0.822 104 A HN 0.065 7.931 8.150 -0.295 0.108 0.443 105 L N -2.269 118.832 121.223 -0.204 0.000 2.056 105 L HA -0.245 4.016 4.340 -0.132 0.000 0.207 105 L C 2.371 179.193 176.870 -0.079 0.000 1.078 105 L CA 2.710 57.486 54.840 -0.107 0.000 0.749 105 L CB -1.298 40.767 42.059 0.009 0.000 0.901 105 L HN -0.281 7.833 8.230 -0.193 0.000 0.433 106 C N -0.449 118.801 119.300 -0.082 0.000 2.432 106 C HA -0.529 3.905 4.460 -0.042 0.000 0.277 106 C C 1.933 176.876 174.990 -0.077 0.000 1.249 106 C CA 5.633 64.614 59.018 -0.063 0.000 1.725 106 C CB -0.631 27.078 27.740 -0.051 0.000 2.028 106 C HN 0.632 8.696 8.230 -0.097 0.108 0.477 107 A N -0.964 121.786 122.820 -0.116 0.000 1.940 107 A HA -0.360 3.901 4.320 -0.097 0.000 0.219 107 A C 1.639 179.157 177.584 -0.110 0.000 1.176 107 A CA 3.337 55.300 52.037 -0.124 0.000 0.631 107 A CB -1.114 17.776 19.000 -0.183 0.000 0.814 107 A HN 0.468 8.426 8.150 -0.142 0.107 0.446 108 E N -1.453 118.675 120.200 -0.120 0.000 2.047 108 E HA -0.303 3.988 4.350 -0.098 0.000 0.191 108 E C 2.282 178.844 176.600 -0.064 0.000 0.987 108 E CA 3.005 59.346 56.400 -0.099 0.000 0.799 108 E CB 0.035 29.666 29.700 -0.115 0.000 0.752 108 E HN -0.240 7.946 8.360 -0.143 0.089 0.449 109 S N 0.930 116.599 115.700 -0.053 0.000 2.399 109 S HA -0.275 4.179 4.470 -0.027 0.000 0.231 109 S C 2.188 176.768 174.600 -0.034 0.000 1.022 109 S CA 4.064 62.244 58.200 -0.034 0.000 0.983 109 S CB -0.248 62.936 63.200 -0.026 0.000 0.803 109 S HN 0.161 8.328 8.310 -0.060 0.108 0.480 110 V N 1.382 121.272 119.914 -0.040 0.000 2.407 110 V HA -0.471 3.633 4.120 -0.027 0.000 0.248 110 V C 1.804 177.879 176.094 -0.032 0.000 1.055 110 V CA 4.330 66.611 62.300 -0.033 0.000 1.049 110 V CB -0.211 31.591 31.823 -0.034 0.000 0.662 110 V HN 0.285 8.431 8.190 -0.049 0.015 0.455 111 N N -0.183 118.493 118.700 -0.039 0.000 2.331 111 N HA -0.142 4.580 4.740 -0.030 0.000 0.180 111 N C 1.087 176.579 175.510 -0.029 0.000 1.019 111 N CA 2.339 55.368 53.050 -0.035 0.000 0.881 111 N CB 0.287 38.748 38.487 -0.044 0.000 0.972 111 N HN -0.651 7.614 8.380 -0.048 0.086 0.435 112 K N -1.793 118.590 120.400 -0.029 0.000 2.458 112 K HA 0.021 4.328 4.320 -0.022 0.000 0.194 112 K C -1.249 175.339 176.600 -0.020 0.000 1.024 112 K CA -0.097 56.176 56.287 -0.023 0.000 1.108 112 K CB 0.098 32.585 32.500 -0.021 0.000 0.846 112 K HN -0.541 7.555 8.250 -0.034 0.134 0.518 113 E N -1.979 118.209 120.200 -0.021 0.000 2.297 113 E HA -0.423 3.916 4.350 -0.018 0.000 0.228 113 E C -1.012 175.576 176.600 -0.019 0.000 1.213 113 E CA 1.039 57.428 56.400 -0.019 0.000 0.712 113 E CB -1.282 28.409 29.700 -0.016 0.000 1.202 113 E HN -0.419 7.716 8.360 -0.023 0.211 0.376 114 M N -0.295 119.292 119.600 -0.022 0.000 3.080 114 M HA 0.263 4.729 4.480 -0.024 0.000 0.288 114 M C -0.531 175.751 176.300 -0.029 0.000 1.224 114 M CA -1.933 53.352 55.300 -0.025 0.000 0.787 114 M CB -0.176 32.410 32.600 -0.022 0.000 1.368 114 M HN 0.128 8.307 8.290 -0.023 0.097 0.511 115 E N 2.356 122.540 120.200 -0.027 0.000 2.204 115 E HA -0.399 3.935 4.350 -0.026 0.000 0.195 115 E C 1.064 177.641 176.600 -0.038 0.000 0.990 115 E CA 3.573 59.956 56.400 -0.027 0.000 0.821 115 E CB -0.494 29.193 29.700 -0.020 0.000 0.750 115 E HN 0.404 8.696 8.360 -0.023 0.054 0.477 116 V N -1.311 118.578 119.914 -0.042 0.000 2.287 116 V HA -0.387 3.700 4.120 -0.056 0.000 0.248 116 V C 1.928 177.974 176.094 -0.080 0.000 1.053 116 V CA 3.926 66.192 62.300 -0.056 0.000 1.027 116 V CB -0.264 31.528 31.823 -0.051 0.000 0.646 116 V HN -0.227 7.913 8.190 -0.035 0.029 0.447 117 L N -1.328 119.852 121.223 -0.072 0.000 2.072 117 L HA -0.231 4.033 4.340 -0.127 0.000 0.205 117 L C 1.402 178.219 176.870 -0.088 0.000 1.079 117 L CA 3.039 57.826 54.840 -0.089 0.000 0.752 117 L CB -0.171 41.854 42.059 -0.055 0.000 0.906 117 L HN -0.823 7.287 8.230 -0.054 0.087 0.436 118 V N -0.423 119.457 119.914 -0.057 0.000 2.287 118 V HA -0.571 3.528 4.120 -0.034 0.000 0.248 118 V C 1.960 178.025 176.094 -0.048 0.000 1.053 118 V CA 4.497 66.772 62.300 -0.041 0.000 1.027 118 V CB -0.549 31.258 31.823 -0.027 0.000 0.646 118 V HN -0.315 7.782 8.190 -0.048 0.064 0.447 119 G N -2.906 105.858 108.800 -0.059 0.000 2.422 119 G HA2 -0.366 3.575 3.960 -0.032 0.000 0.218 119 G HA3 -0.366 3.557 3.960 -0.061 0.000 0.218 119 G C 1.067 175.900 174.900 -0.112 0.000 1.146 119 G CA 2.038 47.101 45.100 -0.061 0.000 0.769 119 G HN 0.309 8.564 8.290 -0.057 0.000 0.547 120 Q N 1.537 121.223 119.800 -0.189 0.000 2.079 120 Q HA -0.248 3.857 4.340 -0.392 0.000 0.200 120 Q C 2.718 178.500 176.000 -0.364 0.000 0.974 120 Q CA 2.990 58.567 55.803 -0.377 0.000 0.840 120 Q CB -0.060 28.386 28.738 -0.487 0.000 0.898 120 Q HN -0.725 7.334 8.270 -0.164 0.113 0.430 121 V N 0.495 120.305 119.914 -0.174 0.000 2.295 121 V HA -0.474 3.694 4.120 0.080 0.000 0.246 121 V C 2.415 178.559 176.094 0.083 0.000 1.049 121 V CA 4.125 66.425 62.300 -0.001 0.000 1.024 121 V CB -0.805 31.028 31.823 0.017 0.000 0.648 121 V HN 0.358 8.455 8.190 -0.154 0.000 0.447 122 Q N -1.411 118.416 119.800 0.045 0.000 2.084 122 Q HA -0.322 4.096 4.340 0.131 0.000 0.202 122 Q C 2.072 178.146 176.000 0.123 0.000 0.978 122 Q CA 3.281 59.140 55.803 0.094 0.000 0.844 122 Q CB -0.788 27.989 28.738 0.066 0.000 0.898 122 Q HN 0.273 8.543 8.270 0.000 0.000 0.426 123 E N 0.367 120.604 120.200 0.062 0.000 2.058 123 E HA -0.344 4.063 4.350 0.094 0.000 0.194 123 E C 2.398 179.139 176.600 0.234 0.000 0.997 123 E CA 3.144 59.594 56.400 0.083 0.000 0.801 123 E CB -0.023 29.659 29.700 -0.031 0.000 0.746 123 E HN -0.401 7.954 8.360 -0.008 0.000 0.450 124 W N -1.044 120.304 121.300 0.081 0.000 2.381 124 W HA -0.199 4.525 4.660 0.107 0.000 0.301 124 W C 2.622 179.246 176.519 0.174 0.000 1.205 124 W CA 2.376 59.785 57.345 0.106 0.000 1.285 124 W CB -0.387 29.114 29.460 0.069 0.000 1.133 124 W HN 0.007 8.294 8.180 0.178 0.000 0.521 125 M N -0.510 119.338 119.600 0.414 0.000 2.067 125 M HA -0.489 4.310 4.480 0.532 0.000 0.260 125 M C 2.083 178.584 176.300 0.334 0.000 1.069 125 M CA 4.838 60.387 55.300 0.415 0.000 1.117 125 M CB -0.068 32.751 32.600 0.364 0.000 1.334 125 M HN 0.166 8.602 8.290 0.363 0.073 0.407 126 V N -0.790 119.277 119.914 0.256 0.000 2.287 126 V HA -0.495 3.729 4.120 0.174 0.000 0.248 126 V C 1.973 178.164 176.094 0.160 0.000 1.053 126 V CA 4.002 66.414 62.300 0.185 0.000 1.027 126 V CB -1.227 30.684 31.823 0.148 0.000 0.646 126 V HN 0.147 8.485 8.190 0.246 0.000 0.447 127 A N 0.270 123.208 122.820 0.196 0.000 1.883 127 A HA -0.331 4.053 4.320 0.107 0.000 0.217 127 A C 1.976 179.636 177.584 0.126 0.000 1.186 127 A CA 3.211 55.344 52.037 0.160 0.000 0.624 127 A CB -0.645 18.485 19.000 0.217 0.000 0.822 127 A HN -0.173 8.120 8.150 0.239 0.000 0.444 128 Y N -0.101 120.230 120.300 0.052 0.000 2.181 128 Y HA -0.383 4.134 4.550 -0.054 0.000 0.288 128 Y C 1.824 177.660 175.900 -0.107 0.000 1.146 128 Y CA 4.156 62.235 58.100 -0.036 0.000 1.164 128 Y CB 0.255 38.707 38.460 -0.013 0.000 0.982 128 Y HN 0.008 8.394 8.280 0.355 0.106 0.515 129 L N -3.261 117.994 121.223 0.053 0.000 2.191 129 L HA -0.416 3.827 4.340 -0.162 0.000 0.212 129 L C 1.754 178.568 176.870 -0.093 0.000 1.103 129 L CA 2.811 57.612 54.840 -0.066 0.000 0.769 129 L CB -0.124 41.936 42.059 0.002 0.000 0.908 129 L HN 0.133 8.469 8.230 0.177 0.000 0.438 130 E N -5.395 114.771 120.200 -0.056 0.000 2.476 130 E HA -0.005 4.301 4.350 -0.073 0.000 0.196 130 E C 0.295 176.836 176.600 -0.098 0.000 1.029 130 E CA 0.956 57.318 56.400 -0.063 0.000 0.896 130 E CB 0.287 29.976 29.700 -0.019 0.000 1.012 130 E HN -0.380 7.843 8.360 -0.011 0.130 0.475 131 T N 0.705 115.165 114.554 -0.157 0.000 3.393 131 T HA 0.194 4.462 4.350 -0.137 0.000 0.231 131 T C 0.536 175.078 174.700 -0.263 0.000 0.983 131 T CA 1.438 63.427 62.100 -0.185 0.000 1.272 131 T CB 1.063 69.831 68.868 -0.166 0.000 1.214 131 T HN -0.343 7.586 8.240 -0.192 0.195 0.368 132 R N 0.754 120.975 120.500 -0.464 0.000 2.112 132 R HA -0.028 4.144 4.340 -0.279 0.000 0.216 132 R C 1.296 177.442 176.300 -0.258 0.000 1.080 132 R CA 2.231 58.053 56.100 -0.462 0.000 0.996 132 R CB 0.928 30.720 30.300 -0.846 0.000 0.902 132 R HN -0.403 7.486 8.270 -0.634 0.000 0.449 133 L N -2.308 118.711 121.223 -0.341 0.000 2.653 133 L HA 0.083 4.704 4.340 0.470 0.000 0.231 133 L C 0.692 177.543 176.870 -0.033 0.000 1.153 133 L CA -0.084 54.721 54.840 -0.058 0.000 0.933 133 L CB -0.489 41.355 42.059 -0.358 0.000 1.175 133 L HN -0.188 7.715 8.230 -0.546 0.000 0.473 134 A N 1.892 124.642 122.820 -0.117 0.000 1.865 134 A HA -0.397 3.979 4.320 -0.096 -0.114 0.217 134 A C 1.517 179.038 177.584 -0.104 0.000 1.191 134 A CA 3.598 55.567 52.037 -0.114 0.000 0.623 134 A CB -0.705 18.212 19.000 -0.138 0.000 0.826 134 A HN 0.148 8.112 8.150 -0.164 0.087 0.444 135 D N -1.808 118.471 120.400 -0.202 0.000 2.144 135 D HA -0.266 4.286 4.640 -0.147 0.000 0.199 135 D C 1.811 177.973 176.300 -0.229 0.000 0.984 135 D CA 3.602 57.441 54.000 -0.268 0.000 0.834 135 D CB -0.096 40.414 40.800 -0.482 0.000 0.955 135 D HN 0.364 8.593 8.370 -0.236 0.000 0.465 136 W N -2.171 119.082 121.300 -0.078 0.000 2.355 136 W HA -0.358 4.278 4.660 -0.039 0.000 0.309 136 W C 2.256 178.720 176.519 -0.091 0.000 1.206 136 W CA 2.901 60.202 57.345 -0.074 0.000 1.284 136 W CB -0.068 29.333 29.460 -0.099 0.000 1.145 136 W HN -0.482 7.538 8.180 -0.249 0.011 0.502 137 I N -1.848 118.772 120.570 0.083 0.000 2.286 137 I HA -0.487 3.612 4.170 -0.117 0.000 0.248 137 I C 2.089 178.194 176.117 -0.019 0.000 1.115 137 I CA 2.059 63.325 61.300 -0.056 0.000 1.392 137 I CB -1.520 36.400 38.000 -0.134 0.000 1.065 137 I HN 0.448 8.708 8.210 0.083 0.000 0.418 138 H N 0.938 119.958 119.070 -0.083 0.000 2.423 138 H HA -0.294 4.221 4.556 -0.069 0.000 0.297 138 H C 2.349 177.645 175.328 -0.054 0.000 1.075 138 H CA 4.020 60.022 56.048 -0.077 0.000 1.342 138 H CB 0.312 30.016 29.762 -0.097 0.000 1.395 138 H HN 0.005 8.251 8.280 0.091 0.089 0.530 139 S N -0.340 115.304 115.700 -0.092 0.000 2.395 139 S HA -0.102 4.240 4.470 -0.214 0.000 0.225 139 S C 1.341 175.909 174.600 -0.054 0.000 1.027 139 S CA 2.517 60.652 58.200 -0.109 0.000 0.965 139 S CB 0.152 63.338 63.200 -0.025 0.000 0.812 139 S HN -0.190 7.992 8.310 0.002 0.130 0.482 140 S N -0.436 115.262 115.700 -0.004 0.000 2.562 140 S HA 0.069 4.570 4.470 0.052 0.000 0.221 140 S C 0.377 174.969 174.600 -0.015 0.000 0.975 140 S CA 1.304 59.515 58.200 0.019 0.000 0.918 140 S CB 0.650 63.869 63.200 0.031 0.000 0.772 140 S HN -0.069 8.249 8.310 0.013 0.000 0.531 141 G N 0.241 109.001 108.800 -0.066 0.000 2.295 141 G HA2 -0.445 3.467 3.960 -0.080 0.000 0.287 141 G HA3 -0.445 3.498 3.960 -0.029 0.000 0.287 141 G C 0.083 174.959 174.900 -0.041 0.000 1.055 141 G CA 0.303 45.370 45.100 -0.054 0.000 0.922 141 G HN -0.403 7.642 8.290 -0.097 0.186 0.503 142 G N -0.113 108.607 108.800 -0.134 0.000 3.031 142 G HA2 -0.412 3.289 3.960 -0.431 0.000 0.289 142 G HA3 -0.412 3.460 3.960 -0.147 0.000 0.289 142 G C -0.482 174.122 174.900 -0.494 0.000 1.393 142 G CA 0.755 45.671 45.100 -0.305 0.000 1.010 142 G HN 0.422 8.523 8.290 -0.135 0.108 0.579 143 W N 2.502 123.832 121.300 0.051 0.000 2.684 143 W HA 0.265 4.991 4.660 0.111 0.000 0.381 143 W C 0.025 176.660 176.519 0.193 0.000 0.975 143 W CA -2.154 55.261 57.345 0.116 0.000 1.789 143 W CB 0.572 30.078 29.460 0.076 0.000 1.161 143 W HN -0.423 7.867 8.180 0.183 0.000 0.564 144 A N 2.582 125.557 122.820 0.259 0.000 1.842 144 A HA -0.355 4.083 4.320 0.198 0.000 0.217 144 A C 1.964 179.672 177.584 0.206 0.000 1.206 144 A CA 3.123 55.276 52.037 0.194 0.000 0.630 144 A CB -0.317 18.747 19.000 0.106 0.000 0.839 144 A HN -0.477 7.590 8.150 0.161 0.180 0.447 145 E N -1.820 118.495 120.200 0.190 0.000 2.268 145 E HA -0.329 4.102 4.350 0.134 0.000 0.195 145 E C 2.022 178.782 176.600 0.265 0.000 0.995 145 E CA 2.147 58.658 56.400 0.185 0.000 0.836 145 E CB -0.629 29.169 29.700 0.163 0.000 0.763 145 E HN -0.449 8.006 8.360 0.159 0.000 0.491 146 F N 0.776 120.853 119.950 0.211 0.000 2.171 146 F HA -0.249 4.435 4.527 0.262 0.000 0.300 146 F C 0.709 176.727 175.800 0.362 0.000 1.090 146 F CA 2.423 60.595 58.000 0.286 0.000 1.293 146 F CB -0.122 39.111 39.000 0.389 0.000 1.013 146 F HN -0.117 8.336 8.300 0.470 0.129 0.486 147 T N -0.844 113.882 114.554 0.288 0.000 2.833 147 T HA -0.419 4.299 4.350 0.614 0.000 0.269 147 T C 0.372 175.033 174.700 -0.065 0.000 1.054 147 T CA 3.764 66.010 62.100 0.244 0.000 1.135 147 T CB -0.340 68.650 68.868 0.204 0.000 0.869 147 T HN -0.356 8.094 8.240 0.373 0.014 0.466 148 A N -2.513 120.291 122.820 -0.027 0.000 2.195 148 A HA 0.088 4.305 4.320 -0.171 0.000 0.210 148 A C 1.171 178.674 177.584 -0.136 0.000 1.165 148 A CA 0.919 52.895 52.037 -0.101 0.000 0.806 148 A CB -0.239 18.741 19.000 -0.032 0.000 0.847 148 A HN -0.583 7.467 8.150 0.066 0.140 0.482 149 L N -2.319 118.843 121.223 -0.101 0.000 2.162 149 L HA -0.203 4.026 4.340 -0.186 0.000 0.205 149 L C 1.361 178.110 176.870 -0.202 0.000 1.086 149 L CA 1.636 56.389 54.840 -0.147 0.000 0.778 149 L CB 0.582 42.641 42.059 -0.001 0.000 0.928 149 L HN -0.604 7.410 8.230 -0.039 0.193 0.446 150 Y N -5.667 114.398 120.300 -0.391 0.000 2.532 150 Y HA 0.180 4.580 4.550 -0.250 0.000 0.283 150 Y C 0.490 176.267 175.900 -0.205 0.000 1.181 150 Y CA -2.324 55.586 58.100 -0.317 0.000 1.256 150 Y CB -0.990 37.213 38.460 -0.428 0.000 1.112 150 Y HN -0.729 7.481 8.280 -0.117 0.000 0.521 151 G N 0.599 109.088 108.800 -0.518 0.000 2.421 151 G HA2 -0.252 3.321 3.960 -0.645 0.000 0.216 151 G HA3 -0.252 3.495 3.960 -0.354 0.000 0.216 151 G C -0.120 174.619 174.900 -0.267 0.000 1.171 151 G CA 0.822 45.645 45.100 -0.461 0.000 0.775 151 G HN -0.113 7.849 8.290 -0.393 0.091 0.543 152 D N -2.077 118.207 120.400 -0.194 0.000 2.650 152 D HA 0.148 4.723 4.640 -0.109 0.000 0.255 152 D C -0.967 175.274 176.300 -0.098 0.000 1.135 152 D CA -1.335 52.590 54.000 -0.125 0.000 1.099 152 D CB 2.748 43.484 40.800 -0.107 0.000 1.273 152 D HN -0.623 7.621 8.370 -0.209 0.000 0.628 153 G N -2.317 106.443 108.800 -0.066 0.000 2.310 153 G HA2 0.149 4.074 3.960 -0.058 0.000 0.185 153 G HA3 0.149 4.101 3.960 -0.013 0.000 0.185 153 G C -0.931 173.948 174.900 -0.034 0.000 1.460 153 G CA 0.752 45.827 45.100 -0.042 0.000 0.660 153 G HN 0.124 8.378 8.290 -0.060 0.000 1.081 154 A N 0.893 123.697 122.820 -0.028 0.000 2.220 154 A HA 0.176 4.492 4.320 -0.007 0.000 0.211 154 A C -0.212 177.363 177.584 -0.014 0.000 1.176 154 A CA -0.160 51.869 52.037 -0.013 0.000 0.834 154 A CB 0.537 19.536 19.000 -0.002 0.000 0.868 154 A HN -0.365 7.974 8.150 -0.031 -0.208 0.488 155 L N 0.419 121.622 121.223 -0.033 0.000 2.363 155 L HA -0.035 4.303 4.340 -0.004 0.000 0.286 155 L C -1.143 175.700 176.870 -0.045 0.000 1.106 155 L CA 0.498 55.321 54.840 -0.030 0.000 0.859 155 L CB -0.721 41.312 42.059 -0.043 0.000 1.223 155 L HN -0.751 7.636 8.230 -0.047 -0.186 0.446 156 E N 6.056 126.244 120.200 -0.019 0.000 2.388 156 E HA 0.091 4.423 4.350 -0.029 0.000 0.289 156 E C -1.712 174.885 176.600 -0.004 0.000 0.944 156 E CA 0.145 56.532 56.400 -0.021 0.000 0.792 156 E CB 2.970 32.652 29.700 -0.030 0.000 1.239 156 E HN -0.233 8.129 8.360 0.004 0.000 0.412 157 E N 4.542 124.740 120.200 -0.003 0.000 3.157 157 E HA 0.370 4.683 4.350 -0.061 0.000 0.203 157 E C -1.256 175.323 176.600 -0.035 0.000 0.982 157 E CA -0.652 55.731 56.400 -0.028 0.000 1.217 157 E CB -0.276 29.425 29.700 0.001 0.000 1.123 157 E HN 0.494 8.856 8.360 0.005 0.000 0.457 158 A N -0.902 121.914 122.820 -0.007 0.000 1.938 158 A HA 0.102 4.424 4.320 0.002 0.000 0.207 158 A C 0.435 178.010 177.584 -0.015 0.000 1.292 158 A CA 1.886 53.930 52.037 0.012 0.000 0.700 158 A CB 1.548 20.596 19.000 0.081 0.000 0.947 158 A HN 0.447 8.933 8.150 0.004 -0.334 0.476 159 R N -5.150 115.346 120.500 -0.007 0.000 2.496 159 R HA 0.251 4.559 4.340 -0.054 0.000 0.369 159 R C -0.199 176.081 176.300 -0.033 0.000 0.896 159 R CA -0.760 55.325 56.100 -0.024 0.000 1.147 159 R CB 0.396 30.698 30.300 0.005 0.000 1.697 159 R HN -0.023 8.649 8.270 0.016 -0.393 0.518 160 R N 1.822 122.301 120.500 -0.035 0.000 2.638 160 R HA -0.253 4.081 4.340 -0.010 0.000 0.268 160 R C -0.296 175.969 176.300 -0.059 0.000 1.006 160 R CA 0.448 56.529 56.100 -0.032 0.000 1.088 160 R CB 1.056 31.341 30.300 -0.024 0.000 0.950 160 R HN -0.364 8.134 8.270 -0.031 -0.246 0.419 161 L N 3.908 125.111 121.223 -0.032 0.000 2.601 161 L HA -0.122 4.195 4.340 -0.039 0.000 0.277 161 L C -0.338 176.516 176.870 -0.027 0.000 1.219 161 L CA 0.945 55.768 54.840 -0.029 0.000 0.915 161 L CB 0.443 42.497 42.059 -0.009 0.000 1.160 161 L HN 0.173 8.392 8.230 -0.018 0.000 0.494 162 R N 7.449 127.923 120.500 -0.044 0.000 2.248 162 R HA 0.026 4.359 4.340 -0.012 0.000 0.337 162 R C -1.074 175.279 176.300 0.088 0.000 1.106 162 R CA -0.304 55.790 56.100 -0.010 0.000 0.959 162 R CB -0.512 29.736 30.300 -0.086 0.000 1.075 162 R HN 0.337 8.576 8.270 -0.052 0.000 0.480 163 E N 2.783 123.069 120.200 0.143 0.000 2.433 163 E HA 0.597 5.198 4.350 0.096 -0.194 0.273 163 E C 0.467 177.145 176.600 0.130 0.000 0.950 163 E CA -1.620 54.848 56.400 0.112 0.000 0.796 163 E CB 4.306 34.046 29.700 0.067 0.000 1.330 163 E HN -0.306 8.165 8.360 0.186 0.000 0.455 164 G N 1.645 110.493 108.800 0.079 0.000 2.686 164 G HA2 -0.581 3.399 3.960 0.034 0.000 0.329 164 G HA3 -0.581 3.405 3.960 0.043 0.000 0.329 164 G C 0.536 175.461 174.900 0.042 0.000 1.187 164 G CA 1.839 46.970 45.100 0.051 0.000 0.965 164 G HN 0.469 8.797 8.290 0.064 0.000 0.549 165 N N 4.806 123.511 118.700 0.008 0.000 2.069 165 N HA -0.261 4.431 4.740 -0.079 0.000 0.191 165 N C 1.640 177.100 175.510 -0.084 0.000 1.031 165 N CA 2.285 55.284 53.050 -0.084 0.000 0.852 165 N CB -0.227 38.150 38.487 -0.183 0.000 1.018 165 N HN 0.020 8.410 8.380 0.016 0.000 0.423 166 W N -0.653 120.646 121.300 -0.002 0.000 2.327 166 W HA -0.211 4.449 4.660 -0.000 0.000 0.320 166 W C -0.317 176.202 176.519 -0.000 0.000 1.161 166 W CA 1.113 58.458 57.345 -0.000 0.000 1.232 166 W CB 0.405 29.865 29.460 0.000 0.000 1.203 166 W HN -0.827 7.466 8.180 0.187 0.000 0.453 167 A N -2.217 120.787 122.820 0.308 0.000 2.273 167 A HA 0.249 4.662 4.320 0.154 0.000 0.320 167 A C -0.777 176.869 177.584 0.104 0.000 1.358 167 A CA -0.707 51.429 52.037 0.164 0.000 0.910 167 A CB 0.238 19.308 19.000 0.117 0.000 1.159 167 A HN -0.058 8.298 8.150 0.344 0.000 0.526 168 S N 3.441 119.186 115.700 0.075 0.000 2.456 168 S HA 0.006 4.505 4.470 0.049 0.000 0.224 168 S C 0.011 174.633 174.600 0.037 0.000 1.035 168 S CA 1.320 59.549 58.200 0.048 0.000 0.940 168 S CB 0.850 64.069 63.200 0.032 0.000 0.799 168 S HN 0.385 8.741 8.310 0.077 0.000 0.508 169 V N -1.398 118.538 119.914 0.038 0.000 2.630 169 V HA 0.305 4.440 4.120 0.024 0.000 0.305 169 V C -1.329 174.783 176.094 0.029 0.000 1.046 169 V CA -0.959 61.358 62.300 0.029 0.000 0.934 169 V CB 1.259 33.097 31.823 0.024 0.000 1.003 169 V HN -0.595 7.623 8.190 0.046 0.000 0.451 170 R N 0.000 120.513 120.500 0.022 0.000 2.786 170 R HA 0.000 4.352 4.340 0.020 0.000 0.208 170 R CA 0.000 56.111 56.100 0.018 0.000 0.921 170 R CB 0.000 30.310 30.300 0.017 0.000 0.687 170 R HN 0.000 8.281 8.270 0.019 0.000 0.535