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 2dos_1_A DATA FIRST_RESID 1 DATA SEQUENCE MESIFHEKQE GSLCAQHCLN NLLQGEYFSP VELSSIAHQL DEEERMRMAE DATA SEQUENCE GGVTSEDYRT FLQQPSGNMD DSGFFSIQVI SNALKVWGLE LILFNSPEYQ DATA SEQUENCE RLRIDPINER SFICNYKEHW FTVRKLGKQW FNLNSLLTGP ELISDTYLAL DATA SEQUENCE FLAQLQQEGY SIFVVKGDLP D 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 M HA 0.000 4.453 4.480 -0.045 0.000 0.227 1 M C 0.000 176.267 176.300 -0.055 0.000 1.140 1 M CA 0.000 55.273 55.300 -0.045 0.000 0.988 1 M CB 0.000 32.575 32.600 -0.041 0.000 1.302 2 E N -0.521 119.649 120.200 -0.049 0.000 2.368 2 E HA 0.242 4.545 4.350 -0.078 0.000 0.188 2 E C -0.025 176.561 176.600 -0.024 0.000 1.061 2 E CA 0.245 56.614 56.400 -0.052 0.000 0.933 2 E CB 0.178 29.849 29.700 -0.050 0.000 1.091 2 E HN 0.180 8.515 8.360 -0.041 0.000 0.458 3 S N -0.896 114.795 115.700 -0.016 0.000 2.549 3 S HA 0.039 4.532 4.470 0.038 0.000 0.225 3 S C -0.385 174.238 174.600 0.038 0.000 1.039 3 S CA -0.080 58.130 58.200 0.015 0.000 0.942 3 S CB 0.682 63.880 63.200 -0.002 0.000 0.881 3 S HN -0.241 7.946 8.310 -0.032 0.103 0.503 4 I N 3.425 123.986 120.570 -0.016 0.000 2.496 4 I HA -0.103 4.000 4.170 -0.112 0.000 0.285 4 I C -0.842 175.337 176.117 0.103 0.000 1.080 4 I CA 0.248 61.514 61.300 -0.057 0.000 1.404 4 I CB 0.235 38.128 38.000 -0.179 0.000 1.403 4 I HN -0.846 7.341 8.210 -0.037 0.000 0.539 5 F N 7.932 127.836 119.950 -0.076 0.000 2.519 5 F HA -0.155 4.393 4.527 0.035 0.000 0.375 5 F C -0.658 175.174 175.800 0.052 0.000 1.084 5 F CA 0.333 58.334 58.000 0.001 0.000 1.147 5 F CB -0.114 38.878 39.000 -0.012 0.000 1.088 5 F HN 0.209 8.641 8.300 0.219 0.000 0.555 6 H N 1.780 120.802 119.070 -0.079 0.000 2.489 6 H HA 0.318 4.898 4.556 0.039 0.000 0.322 6 H C -0.833 174.461 175.328 -0.057 0.000 1.091 6 H CA -1.186 54.842 56.048 -0.035 0.000 1.291 6 H CB 1.291 31.018 29.762 -0.059 0.000 1.436 6 H HN 0.261 8.553 8.280 0.020 0.000 0.480 7 E N 1.801 121.969 120.200 -0.054 0.000 2.401 7 E HA 0.061 4.307 4.350 -0.172 0.000 0.283 7 E C -2.419 174.172 176.600 -0.014 0.000 1.053 7 E CA -0.091 56.242 56.400 -0.110 0.000 0.842 7 E CB 3.135 32.748 29.700 -0.145 0.000 1.222 7 E HN 0.273 8.678 8.360 0.074 0.000 0.429 8 K N 0.709 121.097 120.400 -0.019 0.000 2.507 8 K HA 0.336 4.672 4.320 0.026 0.000 0.252 8 K C -1.026 175.575 176.600 0.003 0.000 0.943 8 K CA -0.882 55.411 56.287 0.010 0.000 0.808 8 K CB 1.486 34.000 32.500 0.024 0.000 1.142 8 K HN 0.179 8.402 8.250 -0.044 0.000 0.426 9 Q N 2.113 121.925 119.800 0.021 0.000 2.456 9 Q HA 0.154 4.508 4.340 0.022 0.000 0.284 9 Q C -1.831 174.194 176.000 0.043 0.000 1.061 9 Q CA -0.968 54.856 55.803 0.035 0.000 0.799 9 Q CB 3.137 31.913 28.738 0.065 0.000 1.445 9 Q HN 0.497 8.786 8.270 0.032 0.000 0.411 10 E N 1.461 121.679 120.200 0.030 0.000 2.167 10 E HA 0.035 4.394 4.350 0.015 0.000 0.284 10 E C -0.311 176.289 176.600 0.000 0.000 1.016 10 E CA -0.501 55.907 56.400 0.014 0.000 0.817 10 E CB 0.264 29.966 29.700 0.004 0.000 1.080 10 E HN 0.328 8.704 8.360 0.027 0.000 0.397 11 G N 3.226 112.019 108.800 -0.012 0.000 2.335 11 G HA2 0.038 3.948 3.960 -0.083 0.000 0.291 11 G HA3 0.038 3.957 3.960 -0.068 0.000 0.291 11 G C -2.618 172.253 174.900 -0.048 0.000 1.261 11 G CA 0.189 45.255 45.100 -0.056 0.000 0.871 11 G HN -0.053 8.236 8.290 -0.001 0.000 0.491 12 S N 0.509 116.155 115.700 -0.091 0.000 2.653 12 S HA 0.199 4.686 4.470 0.029 0.000 0.268 12 S C -1.099 173.447 174.600 -0.090 0.000 1.153 12 S CA -0.299 57.879 58.200 -0.037 0.000 1.036 12 S CB 2.085 65.274 63.200 -0.018 0.000 1.103 12 S HN 0.037 8.252 8.310 -0.159 0.000 0.466 13 L N 2.334 123.528 121.223 -0.047 0.000 3.040 13 L HA -0.286 4.021 4.340 -0.055 0.000 0.594 13 L C -2.527 174.180 176.870 -0.272 0.000 1.002 13 L CA 1.261 56.023 54.840 -0.129 0.000 1.305 13 L CB -0.071 41.876 42.059 -0.186 0.000 1.539 13 L HN -0.128 8.113 8.230 0.019 0.000 0.746 14 C N 5.385 124.520 119.300 -0.276 0.000 2.379 14 C HA 0.193 4.355 4.460 -0.497 0.000 0.323 14 C C 0.388 175.094 174.990 -0.472 0.000 1.262 14 C CA -0.867 57.880 59.018 -0.452 0.000 1.581 14 C CB 2.476 29.794 27.740 -0.704 0.000 2.221 14 C HN 0.196 8.333 8.230 -0.155 0.000 0.497 15 A N 6.420 128.797 122.820 -0.737 0.000 1.872 15 A HA -0.311 3.498 4.320 -0.852 0.000 0.214 15 A C 1.525 178.830 177.584 -0.465 0.000 1.187 15 A CA 3.434 54.888 52.037 -0.971 0.000 0.614 15 A CB -0.857 16.764 19.000 -2.298 0.000 0.826 15 A HN 0.697 8.390 8.150 -0.763 0.000 0.442 16 Q N -2.196 117.413 119.800 -0.318 0.000 2.079 16 Q HA -0.356 3.988 4.340 0.006 0.000 0.200 16 Q C 1.792 177.878 176.000 0.144 0.000 0.974 16 Q CA 3.317 59.108 55.803 -0.020 0.000 0.840 16 Q CB -0.561 28.221 28.738 0.073 0.000 0.898 16 Q HN 0.673 8.694 8.270 -0.416 0.000 0.430 17 H N -0.496 118.550 119.070 -0.040 0.000 2.387 17 H HA -0.258 4.329 4.556 0.052 0.000 0.299 17 H C 2.571 177.929 175.328 0.050 0.000 1.090 17 H CA 2.554 58.614 56.048 0.019 0.000 1.332 17 H CB -0.103 29.664 29.762 0.008 0.000 1.386 17 H HN 0.306 8.546 8.280 -0.066 0.000 0.516 18 C N -0.089 119.291 119.300 0.135 0.000 2.453 18 C HA -0.402 4.165 4.460 0.179 0.000 0.277 18 C C 1.514 176.606 174.990 0.169 0.000 1.262 18 C CA 4.143 63.243 59.018 0.137 0.000 1.718 18 C CB -0.137 27.653 27.740 0.083 0.000 2.031 18 C HN -0.283 7.956 8.230 0.032 0.011 0.480 19 L N -0.094 121.213 121.223 0.139 0.000 2.056 19 L HA -0.426 4.109 4.340 0.325 0.000 0.207 19 L C 1.946 178.978 176.870 0.271 0.000 1.078 19 L CA 3.618 58.612 54.840 0.257 0.000 0.749 19 L CB -0.306 41.885 42.059 0.220 0.000 0.901 19 L HN 0.100 8.360 8.230 0.050 0.000 0.433 20 N N 0.132 118.960 118.700 0.213 0.000 2.084 20 N HA -0.340 4.637 4.740 0.186 -0.125 0.190 20 N C 2.269 177.817 175.510 0.063 0.000 1.030 20 N CA 3.827 56.962 53.050 0.142 0.000 0.849 20 N CB 0.005 38.550 38.487 0.096 0.000 1.012 20 N HN 0.412 8.796 8.380 0.195 0.114 0.423 21 N N 0.308 119.081 118.700 0.122 0.000 2.171 21 N HA -0.199 4.586 4.740 0.074 0.000 0.184 21 N C 2.801 178.448 175.510 0.229 0.000 1.021 21 N CA 3.186 56.340 53.050 0.175 0.000 0.854 21 N CB 0.068 38.731 38.487 0.293 0.000 0.994 21 N HN -0.151 8.218 8.380 0.160 0.107 0.426 22 L N 1.782 123.146 121.223 0.235 0.000 2.042 22 L HA -0.314 4.194 4.340 0.280 0.000 0.210 22 L C 0.240 177.210 176.870 0.166 0.000 1.076 22 L CA 3.013 57.999 54.840 0.243 0.000 0.749 22 L CB -0.066 42.156 42.059 0.271 0.000 0.893 22 L HN 0.275 8.530 8.230 0.228 0.111 0.432 23 L N -6.612 114.672 121.223 0.101 0.000 2.599 23 L HA -0.198 4.087 4.340 -0.091 0.000 0.230 23 L C -0.465 176.404 176.870 -0.001 0.000 1.141 23 L CA 0.273 55.086 54.840 -0.045 0.000 0.877 23 L CB -0.418 41.522 42.059 -0.199 0.000 1.009 23 L HN -0.355 7.960 8.230 0.142 0.000 0.447 24 Q N -6.171 113.644 119.800 0.025 0.000 2.487 24 Q HA -0.369 4.001 4.340 -0.060 -0.066 0.279 24 Q C -0.802 175.117 176.000 -0.135 0.000 1.228 24 Q CA 0.765 56.544 55.803 -0.041 0.000 0.873 24 Q CB -2.599 26.135 28.738 -0.007 0.000 1.260 24 Q HN -0.349 7.732 8.270 0.068 0.230 0.471 25 G N -4.358 104.307 108.800 -0.224 0.000 2.340 25 G HA2 0.024 3.428 3.960 -0.927 0.000 0.300 25 G HA3 0.024 3.886 3.960 -0.163 0.000 0.300 25 G C -3.075 171.664 174.900 -0.268 0.000 1.488 25 G CA -0.146 44.720 45.100 -0.390 0.000 0.878 25 G HN -0.111 8.090 8.290 -0.147 0.000 0.618 26 E N -0.138 119.817 120.200 -0.408 0.000 2.220 26 E HA -0.097 4.428 4.350 -0.093 -0.231 0.272 26 E C -1.348 174.997 176.600 -0.424 0.000 1.099 26 E CA 0.205 56.456 56.400 -0.249 0.000 0.907 26 E CB -0.187 29.423 29.700 -0.151 0.000 1.022 26 E HN 0.150 8.244 8.360 -0.444 0.000 0.428 27 Y N 2.337 122.650 120.300 0.021 0.000 2.767 27 Y HA 0.074 4.599 4.550 -0.042 0.000 0.254 27 Y C -1.951 174.025 175.900 0.127 0.000 1.133 27 Y CA -0.362 57.748 58.100 0.016 0.000 1.225 27 Y CB 1.654 40.073 38.460 -0.067 0.000 1.312 27 Y HN 0.125 8.524 8.280 0.198 0.000 0.560 28 F N -1.949 118.101 119.950 0.167 0.000 2.678 28 F HA 0.178 4.811 4.527 0.177 0.000 0.308 28 F C -2.058 173.810 175.800 0.113 0.000 1.118 28 F CA -0.478 57.627 58.000 0.176 0.000 0.959 28 F CB 4.037 43.188 39.000 0.251 0.000 1.305 28 F HN -0.758 7.704 8.300 0.270 0.000 0.443 29 S N 1.335 117.241 115.700 0.343 0.000 2.593 29 S HA 0.443 5.019 4.470 0.176 0.000 0.297 29 S C -0.995 173.750 174.600 0.241 0.000 1.112 29 S CA -2.609 55.724 58.200 0.221 0.000 1.043 29 S CB 1.731 65.007 63.200 0.128 0.000 1.054 29 S HN 0.001 8.532 8.310 0.368 0.000 0.516 30 P HA -0.007 4.447 4.420 0.055 0.000 0.217 30 P C 1.291 178.657 177.300 0.110 0.000 1.151 30 P CA 2.272 65.429 63.100 0.095 0.000 0.828 30 P CB 0.195 31.936 31.700 0.068 0.000 0.788 31 V N -0.146 119.835 119.914 0.112 0.000 2.358 31 V HA -0.301 3.878 4.120 0.098 0.000 0.246 31 V C 1.677 177.852 176.094 0.135 0.000 1.047 31 V CA 3.389 65.752 62.300 0.105 0.000 1.035 31 V CB -0.317 31.552 31.823 0.077 0.000 0.658 31 V HN -0.169 8.085 8.190 0.106 0.000 0.452 32 E N -1.496 118.805 120.200 0.169 0.000 2.051 32 E HA -0.312 4.131 4.350 0.156 0.000 0.192 32 E C 2.715 179.478 176.600 0.272 0.000 0.991 32 E CA 3.572 60.099 56.400 0.211 0.000 0.799 32 E CB -0.488 29.358 29.700 0.243 0.000 0.748 32 E HN 0.126 8.586 8.360 0.166 0.000 0.449 33 L N -1.412 120.001 121.223 0.316 0.000 2.083 33 L HA -0.315 4.221 4.340 0.327 0.000 0.209 33 L C 2.005 179.118 176.870 0.405 0.000 1.083 33 L CA 3.140 58.178 54.840 0.329 0.000 0.752 33 L CB -0.314 41.843 42.059 0.163 0.000 0.899 33 L HN -0.305 8.115 8.230 0.317 0.000 0.433 34 S N -0.753 115.126 115.700 0.298 0.000 2.368 34 S HA -0.367 4.364 4.470 0.433 0.000 0.225 34 S C 2.325 177.052 174.600 0.212 0.000 1.030 34 S CA 3.854 62.230 58.200 0.294 0.000 0.999 34 S CB -0.293 63.028 63.200 0.202 0.000 0.844 34 S HN -0.029 8.403 8.310 0.221 0.011 0.459 35 S N 2.522 118.313 115.700 0.153 0.000 2.368 35 S HA -0.234 4.285 4.470 0.081 0.000 0.224 35 S C 2.249 176.898 174.600 0.082 0.000 1.029 35 S CA 3.579 61.838 58.200 0.098 0.000 0.988 35 S CB -0.119 63.123 63.200 0.069 0.000 0.838 35 S HN -0.361 8.043 8.310 0.158 0.000 0.462 36 I N 3.433 124.053 120.570 0.084 0.000 2.208 36 I HA -0.349 3.989 4.170 0.018 -0.157 0.245 36 I C 2.011 178.067 176.117 -0.102 0.000 1.097 36 I CA 3.800 65.109 61.300 0.016 0.000 1.363 36 I CB -0.313 37.715 38.000 0.046 0.000 1.051 36 I HN -0.218 8.073 8.210 0.135 0.000 0.413 37 A N -0.543 122.161 122.820 -0.193 0.000 1.873 37 A HA -0.393 3.594 4.320 -0.556 0.000 0.215 37 A C 1.655 179.100 177.584 -0.231 0.000 1.186 37 A CA 3.235 55.011 52.037 -0.436 0.000 0.616 37 A CB -0.920 17.616 19.000 -0.774 0.000 0.823 37 A HN -0.134 7.976 8.150 -0.066 0.000 0.442 38 H N -0.034 118.942 119.070 -0.156 0.000 2.352 38 H HA -0.306 4.157 4.556 -0.154 0.000 0.299 38 H C 2.826 178.085 175.328 -0.116 0.000 1.097 38 H CA 4.396 60.368 56.048 -0.127 0.000 1.311 38 H CB 0.178 29.893 29.762 -0.078 0.000 1.377 38 H HN -0.185 8.141 8.280 0.077 0.000 0.504 39 Q N -0.939 118.890 119.800 0.048 0.000 2.079 39 Q HA -0.288 4.071 4.340 0.032 0.000 0.200 39 Q C 2.546 178.513 176.000 -0.054 0.000 0.974 39 Q CA 3.296 59.101 55.803 0.004 0.000 0.840 39 Q CB 0.039 28.776 28.738 -0.002 0.000 0.898 39 Q HN -0.249 8.044 8.270 0.050 0.007 0.430 40 L N 0.177 121.337 121.223 -0.104 0.000 2.017 40 L HA -0.381 3.898 4.340 -0.103 0.000 0.208 40 L C 2.135 178.916 176.870 -0.148 0.000 1.073 40 L CA 3.389 58.148 54.840 -0.135 0.000 0.745 40 L CB -0.081 41.862 42.059 -0.194 0.000 0.894 40 L HN -0.041 8.119 8.230 -0.116 0.000 0.432 41 D N -1.264 119.023 120.400 -0.189 0.000 2.097 41 D HA -0.284 4.238 4.640 -0.197 0.000 0.195 41 D C 2.774 178.982 176.300 -0.153 0.000 0.989 41 D CA 3.346 57.224 54.000 -0.204 0.000 0.827 41 D CB -0.917 39.712 40.800 -0.286 0.000 0.966 41 D HN 0.164 8.407 8.370 -0.212 0.000 0.456 42 E N -0.318 119.811 120.200 -0.117 0.000 2.051 42 E HA -0.386 3.917 4.350 -0.078 0.000 0.192 42 E C 2.241 178.808 176.600 -0.055 0.000 0.991 42 E CA 3.050 59.411 56.400 -0.066 0.000 0.799 42 E CB -0.403 29.296 29.700 -0.002 0.000 0.748 42 E HN -0.130 8.161 8.360 -0.115 0.000 0.449 43 E N -0.237 119.932 120.200 -0.053 0.000 2.077 43 E HA -0.302 4.029 4.350 -0.031 0.000 0.193 43 E C 2.555 179.124 176.600 -0.050 0.000 0.989 43 E CA 2.985 59.358 56.400 -0.043 0.000 0.800 43 E CB -0.016 29.659 29.700 -0.041 0.000 0.746 43 E HN 0.273 8.489 8.360 -0.056 0.110 0.452 44 E N -1.571 118.585 120.200 -0.073 0.000 2.152 44 E HA -0.309 4.005 4.350 -0.059 0.000 0.192 44 E C 2.573 179.126 176.600 -0.079 0.000 0.983 44 E CA 3.303 59.655 56.400 -0.080 0.000 0.818 44 E CB -0.344 29.288 29.700 -0.112 0.000 0.758 44 E HN -0.146 8.153 8.360 -0.088 0.008 0.467 45 R N -1.146 119.303 120.500 -0.085 0.000 2.075 45 R HA -0.197 4.089 4.340 -0.090 0.000 0.232 45 R C 2.585 178.857 176.300 -0.046 0.000 1.126 45 R CA 2.608 58.662 56.100 -0.077 0.000 0.963 45 R CB -0.198 30.052 30.300 -0.084 0.000 0.858 45 R HN -0.025 8.077 8.270 -0.091 0.113 0.435 46 M N -1.806 117.771 119.600 -0.037 0.000 2.156 46 M HA -0.203 4.266 4.480 -0.019 0.000 0.264 46 M C 1.811 178.104 176.300 -0.011 0.000 1.067 46 M CA 3.818 59.105 55.300 -0.021 0.000 1.131 46 M CB -0.319 32.270 32.600 -0.018 0.000 1.368 46 M HN 0.086 8.350 8.290 -0.043 0.000 0.416 47 R N -0.509 119.984 120.500 -0.013 0.000 2.115 47 R HA -0.171 4.172 4.340 0.004 0.000 0.230 47 R C 1.667 177.977 176.300 0.016 0.000 1.111 47 R CA 2.595 58.696 56.100 0.001 0.000 0.976 47 R CB -0.363 29.936 30.300 -0.002 0.000 0.870 47 R HN -0.071 8.186 8.270 -0.023 0.000 0.445 48 M N -0.503 119.102 119.600 0.008 0.000 2.098 48 M HA -0.280 4.247 4.480 0.078 0.000 0.262 48 M C 2.290 178.618 176.300 0.046 0.000 1.072 48 M CA 3.817 59.139 55.300 0.038 0.000 1.133 48 M CB 0.594 33.187 32.600 -0.011 0.000 1.344 48 M HN -0.226 7.939 8.290 -0.015 0.116 0.414 49 A N -0.957 121.874 122.820 0.017 0.000 1.908 49 A HA -0.211 4.126 4.320 0.028 0.000 0.218 49 A C 1.401 178.998 177.584 0.021 0.000 1.181 49 A CA 2.779 54.827 52.037 0.018 0.000 0.627 49 A CB -0.658 18.342 19.000 0.001 0.000 0.818 49 A HN -0.088 8.061 8.150 -0.002 0.000 0.445 50 E N -3.045 117.165 120.200 0.016 0.000 2.482 50 E HA -0.136 4.222 4.350 0.013 0.000 0.196 50 E C 0.450 177.063 176.600 0.023 0.000 1.047 50 E CA -0.454 55.955 56.400 0.015 0.000 0.869 50 E CB -0.105 29.601 29.700 0.009 0.000 0.836 50 E HN -0.403 7.964 8.360 0.012 0.000 0.520 51 G N -0.100 108.722 108.800 0.036 0.000 2.828 51 G HA2 -0.280 3.783 3.960 0.064 0.000 0.463 51 G HA3 -0.280 3.701 3.960 0.035 0.000 0.463 51 G C -1.597 173.327 174.900 0.041 0.000 1.394 51 G CA -0.216 44.911 45.100 0.045 0.000 0.862 51 G HN -0.330 7.761 8.290 0.040 0.223 0.540 52 G N -2.995 105.831 108.800 0.043 0.000 2.632 52 G HA2 0.075 4.051 3.960 0.027 0.000 0.292 52 G HA3 0.075 4.063 3.960 0.047 0.000 0.292 52 G C -1.511 173.407 174.900 0.030 0.000 1.465 52 G CA -0.299 44.823 45.100 0.037 0.000 0.824 52 G HN -0.258 8.060 8.290 0.045 0.000 0.509 53 V N -3.188 116.738 119.914 0.019 0.000 2.315 53 V HA 0.558 4.681 4.120 0.004 0.000 0.265 53 V C -1.297 174.799 176.094 0.003 0.000 1.019 53 V CA -1.424 60.880 62.300 0.006 0.000 0.824 53 V CB -0.978 30.844 31.823 -0.002 0.000 1.072 53 V HN 0.013 8.214 8.190 0.018 0.000 0.448 54 T N 4.060 118.619 114.554 0.008 0.000 2.886 54 T HA 0.090 4.433 4.350 -0.012 0.000 0.341 54 T C 0.047 174.759 174.700 0.020 0.000 1.839 54 T CA -0.313 61.790 62.100 0.005 0.000 1.052 54 T CB 1.197 70.072 68.868 0.013 0.000 1.715 54 T HN -0.717 7.535 8.240 0.019 0.000 0.504 55 S N 3.614 119.320 115.700 0.010 0.000 2.420 55 S HA -0.378 4.103 4.470 0.018 0.000 0.237 55 S C 1.597 176.254 174.600 0.095 0.000 1.023 55 S CA 2.348 60.571 58.200 0.037 0.000 0.991 55 S CB -0.140 63.073 63.200 0.021 0.000 0.792 55 S HN 0.448 8.756 8.310 -0.004 0.000 0.488 56 E N 1.876 122.116 120.200 0.067 0.000 2.097 56 E HA -0.393 3.996 4.350 0.064 0.000 0.196 56 E C 1.918 178.578 176.600 0.101 0.000 1.000 56 E CA 3.049 59.490 56.400 0.069 0.000 0.804 56 E CB -0.165 29.560 29.700 0.043 0.000 0.740 56 E HN -0.792 7.565 8.360 0.045 0.031 0.454 57 D N -0.799 119.672 120.400 0.118 0.000 2.144 57 D HA -0.240 4.485 4.640 0.142 0.000 0.199 57 D C 2.313 178.754 176.300 0.235 0.000 0.984 57 D CA 3.325 57.421 54.000 0.160 0.000 0.834 57 D CB -0.122 40.763 40.800 0.141 0.000 0.955 57 D HN -0.219 8.100 8.370 0.095 0.109 0.465 58 Y N -0.191 120.140 120.300 0.051 0.000 2.133 58 Y HA -0.315 4.254 4.550 0.032 0.000 0.287 58 Y C 2.256 178.203 175.900 0.078 0.000 1.134 58 Y CA 3.349 61.476 58.100 0.045 0.000 1.133 58 Y CB -0.009 38.456 38.460 0.009 0.000 0.987 58 Y HN -0.953 7.401 8.280 0.295 0.103 0.502 59 R N -2.204 118.405 120.500 0.181 0.000 2.073 59 R HA -0.355 4.027 4.340 0.071 0.000 0.234 59 R C 2.523 178.861 176.300 0.063 0.000 1.134 59 R CA 3.686 59.842 56.100 0.094 0.000 0.952 59 R CB -0.531 29.818 30.300 0.083 0.000 0.850 59 R HN -0.017 8.384 8.270 0.218 0.000 0.433 60 T N 1.949 116.548 114.554 0.075 0.000 2.684 60 T HA -0.289 4.063 4.350 0.003 0.000 0.267 60 T C 1.825 176.544 174.700 0.033 0.000 1.036 60 T CA 4.360 66.482 62.100 0.037 0.000 1.148 60 T CB -0.418 68.472 68.868 0.036 0.000 0.863 60 T HN 0.236 8.424 8.240 0.096 0.110 0.436 61 F N 2.168 122.089 119.950 -0.049 0.000 2.134 61 F HA -0.287 4.205 4.527 -0.059 0.000 0.299 61 F C 2.130 177.870 175.800 -0.101 0.000 1.097 61 F CA 3.101 61.056 58.000 -0.075 0.000 1.264 61 F CB -0.002 38.946 39.000 -0.086 0.000 1.001 61 F HN -0.319 8.123 8.300 0.238 0.000 0.479 62 L N -1.031 120.272 121.223 0.133 0.000 2.079 62 L HA -0.479 3.892 4.340 0.052 0.000 0.210 62 L C 1.653 178.536 176.870 0.021 0.000 1.081 62 L CA 2.771 57.630 54.840 0.032 0.000 0.752 62 L CB -0.300 41.727 42.059 -0.053 0.000 0.896 62 L HN 0.186 8.474 8.230 0.097 0.000 0.433 63 Q N -3.620 116.182 119.800 0.004 0.000 2.297 63 Q HA -0.217 4.128 4.340 0.008 0.000 0.208 63 Q C -0.941 175.041 176.000 -0.031 0.000 0.981 63 Q CA 1.379 57.175 55.803 -0.012 0.000 0.876 63 Q CB 0.484 29.203 28.738 -0.032 0.000 0.921 63 Q HN -0.454 7.811 8.270 0.011 0.011 0.446 64 Q N -4.746 115.011 119.800 -0.073 0.000 2.444 64 Q HA -0.316 3.954 4.340 -0.209 -0.056 0.343 64 Q C -2.463 173.459 176.000 -0.130 0.000 1.458 64 Q CA -0.410 55.323 55.803 -0.117 0.000 0.903 64 Q CB -2.316 26.401 28.738 -0.036 0.000 1.127 64 Q HN -0.333 7.710 8.270 -0.073 0.183 0.344 65 P HA 0.048 4.595 4.420 -0.149 -0.216 0.282 65 P C 0.380 177.576 177.300 -0.173 0.000 1.286 65 P CA -0.542 62.451 63.100 -0.179 0.000 0.777 65 P CB 0.521 32.099 31.700 -0.204 0.000 1.184 66 S N -2.217 113.379 115.700 -0.175 0.000 3.238 66 S HA -0.341 4.015 4.470 -0.190 0.000 0.635 66 S C 0.025 174.552 174.600 -0.121 0.000 2.771 66 S CA 1.355 59.455 58.200 -0.166 0.000 2.973 66 S CB 0.384 63.484 63.200 -0.167 0.000 0.332 66 S HN 0.150 8.348 8.310 -0.187 0.000 1.788 67 G N -2.284 106.453 108.800 -0.106 0.000 3.310 67 G HA2 0.151 4.090 3.960 -0.034 0.000 0.174 67 G HA3 0.151 4.083 3.960 -0.046 0.000 0.174 67 G C -1.681 173.190 174.900 -0.048 0.000 1.097 67 G CA 0.146 45.212 45.100 -0.057 0.000 0.795 67 G HN -0.012 8.204 8.290 -0.125 0.000 0.670 68 N N -2.439 116.245 118.700 -0.027 0.000 2.228 68 N HA 0.114 4.833 4.740 -0.035 0.000 0.299 68 N C 0.237 175.742 175.510 -0.009 0.000 0.829 68 N CA -0.052 52.985 53.050 -0.023 0.000 0.772 68 N CB 1.321 39.798 38.487 -0.015 0.000 2.041 68 N HN 0.206 8.579 8.380 -0.012 0.000 1.019 69 M N 0.716 120.324 119.600 0.013 0.000 2.840 69 M HA 0.129 4.624 4.480 0.024 0.000 0.283 69 M C -1.745 174.605 176.300 0.083 0.000 1.136 69 M CA -0.712 54.608 55.300 0.034 0.000 0.857 69 M CB 1.634 34.252 32.600 0.029 0.000 1.644 69 M HN -0.574 7.727 8.290 0.019 0.000 0.520 70 D N -1.329 119.142 120.400 0.117 0.000 2.627 70 D HA 0.021 4.895 4.640 0.390 0.000 0.259 70 D C 0.026 176.409 176.300 0.139 0.000 1.164 70 D CA -0.196 53.952 54.000 0.246 0.000 1.087 70 D CB 2.149 43.101 40.800 0.253 0.000 1.217 70 D HN -0.206 8.213 8.370 0.081 0.000 0.630 71 D N -1.733 118.669 120.400 0.003 0.000 4.173 71 D HA -0.370 4.054 4.640 -0.361 0.000 0.206 71 D C 0.245 176.420 176.300 -0.208 0.000 1.143 71 D CA 2.765 56.648 54.000 -0.195 0.000 2.351 71 D CB -0.715 40.045 40.800 -0.067 0.000 1.180 71 D HN 0.370 8.777 8.370 0.062 0.000 0.409 72 S N -0.993 114.686 115.700 -0.034 0.000 2.497 72 S HA 0.226 4.871 4.470 -0.101 -0.236 0.221 72 S C 1.252 175.866 174.600 0.023 0.000 1.037 72 S CA 0.382 58.569 58.200 -0.020 0.000 0.920 72 S CB 1.473 64.718 63.200 0.074 0.000 0.800 72 S HN -0.044 8.222 8.310 0.019 0.055 0.505 73 G N 2.500 111.371 108.800 0.118 0.000 3.455 73 G HA2 0.057 4.052 3.960 0.058 0.000 0.250 73 G HA3 0.057 4.200 3.960 0.096 -0.125 0.250 73 G C -1.152 173.873 174.900 0.209 0.000 1.071 73 G CA -0.137 45.034 45.100 0.118 0.000 1.812 73 G HN -0.554 7.716 8.290 0.124 0.094 0.643 74 F N 0.883 120.774 119.950 -0.098 0.000 2.480 74 F HA 0.095 4.577 4.527 -0.074 0.000 0.280 74 F C 0.055 175.832 175.800 -0.039 0.000 1.002 74 F CA 0.766 58.727 58.000 -0.065 0.000 1.325 74 F CB 1.468 40.442 39.000 -0.043 0.000 1.134 74 F HN -0.596 7.737 8.300 0.203 0.089 0.646 75 F N -1.967 117.915 119.950 -0.113 0.000 2.173 75 F HA -0.007 4.411 4.527 -0.182 0.000 0.280 75 F C -0.627 175.016 175.800 -0.261 0.000 1.175 75 F CA 0.821 58.677 58.000 -0.240 0.000 1.166 75 F CB 1.770 40.544 39.000 -0.376 0.000 1.589 75 F HN -0.257 8.150 8.300 0.178 0.000 0.513 76 S N -3.415 112.100 115.700 -0.310 0.000 2.550 76 S HA 0.223 4.628 4.470 -0.108 0.000 0.270 76 S C 0.244 174.765 174.600 -0.132 0.000 1.145 76 S CA -0.915 57.157 58.200 -0.213 0.000 0.852 76 S CB 2.165 65.208 63.200 -0.262 0.000 1.119 76 S HN -0.297 7.686 8.310 -0.544 0.000 0.465 77 I N 3.808 124.383 120.570 0.010 0.000 2.335 77 I HA -0.463 3.814 4.170 0.178 0.000 0.251 77 I C 1.311 177.384 176.117 -0.073 0.000 1.129 77 I CA 2.888 64.209 61.300 0.035 0.000 1.402 77 I CB -0.247 37.734 38.000 -0.032 0.000 1.069 77 I HN 0.760 8.993 8.210 0.040 0.000 0.424 78 Q N -1.526 118.200 119.800 -0.123 0.000 2.084 78 Q HA -0.328 3.944 4.340 -0.113 0.000 0.202 78 Q C 2.489 178.381 176.000 -0.181 0.000 0.978 78 Q CA 3.822 59.539 55.803 -0.143 0.000 0.844 78 Q CB -0.819 27.826 28.738 -0.154 0.000 0.898 78 Q HN 0.332 8.499 8.270 -0.127 0.026 0.426 79 V N 0.059 119.808 119.914 -0.275 0.000 2.307 79 V HA -0.474 3.479 4.120 -0.279 0.000 0.245 79 V C 1.747 177.746 176.094 -0.158 0.000 1.045 79 V CA 3.523 65.626 62.300 -0.329 0.000 1.024 79 V CB -0.412 30.911 31.823 -0.833 0.000 0.651 79 V HN -0.651 7.258 8.190 -0.326 0.085 0.449 80 I N -0.165 120.378 120.570 -0.045 0.000 2.142 80 I HA -0.477 3.693 4.170 0.001 0.000 0.240 80 I C 2.119 178.173 176.117 -0.105 0.000 1.078 80 I CA 2.354 63.656 61.300 0.003 0.000 1.343 80 I CB -1.482 36.604 38.000 0.143 0.000 1.046 80 I HN -0.364 7.810 8.210 -0.059 0.000 0.405 81 S N -0.413 115.230 115.700 -0.095 0.000 2.383 81 S HA -0.449 3.961 4.470 -0.101 0.000 0.229 81 S C 1.867 176.376 174.600 -0.152 0.000 1.030 81 S CA 3.982 62.114 58.200 -0.113 0.000 1.002 81 S CB -0.075 63.065 63.200 -0.099 0.000 0.829 81 S HN 0.479 8.633 8.310 -0.073 0.113 0.467 82 N N 1.173 119.773 118.700 -0.167 0.000 2.084 82 N HA -0.320 4.336 4.740 -0.139 0.000 0.190 82 N C 1.611 176.944 175.510 -0.295 0.000 1.030 82 N CA 3.344 56.286 53.050 -0.180 0.000 0.849 82 N CB 0.046 38.441 38.487 -0.153 0.000 1.012 82 N HN -0.389 7.888 8.380 -0.155 0.011 0.423 83 A N -0.897 121.673 122.820 -0.416 0.000 1.972 83 A HA -0.205 3.699 4.320 -0.694 0.000 0.219 83 A C 2.024 178.851 177.584 -1.262 0.000 1.169 83 A CA 2.683 54.234 52.037 -0.809 0.000 0.635 83 A CB -0.490 18.003 19.000 -0.844 0.000 0.810 83 A HN -0.239 7.714 8.150 -0.328 0.000 0.446 84 L N -3.015 117.809 121.223 -0.666 0.000 2.127 84 L HA -0.251 3.869 4.340 -0.367 0.000 0.203 84 L C 1.845 178.618 176.870 -0.162 0.000 1.080 84 L CA 2.619 57.248 54.840 -0.352 0.000 0.768 84 L CB 0.057 42.055 42.059 -0.102 0.000 0.924 84 L HN -0.384 7.460 8.230 -0.446 0.118 0.444 85 K N 0.294 120.599 120.400 -0.159 0.000 2.032 85 K HA -0.312 4.126 4.320 -0.005 -0.121 0.209 85 K C 2.429 179.012 176.600 -0.029 0.000 1.048 85 K CA 3.270 59.521 56.287 -0.059 0.000 0.927 85 K CB 0.086 32.550 32.500 -0.060 0.000 0.712 85 K HN 0.129 8.148 8.250 -0.202 0.110 0.441 86 V N -5.564 114.285 119.914 -0.109 0.000 2.720 86 V HA -0.232 3.913 4.120 0.042 0.000 0.256 86 V C 0.976 177.192 176.094 0.205 0.000 1.082 86 V CA 2.775 65.076 62.300 0.001 0.000 1.101 86 V CB -0.574 31.227 31.823 -0.037 0.000 0.693 86 V HN -0.351 7.704 8.190 -0.224 0.000 0.479 87 W N -1.577 119.753 121.300 0.051 0.000 2.812 87 W HA 0.205 4.886 4.660 0.035 0.000 0.263 87 W C 0.829 177.367 176.519 0.031 0.000 1.284 87 W CA -0.411 56.957 57.345 0.038 0.000 1.430 87 W CB 0.124 29.606 29.460 0.037 0.000 1.088 87 W HN -0.564 7.434 8.180 -0.012 0.175 0.623 88 G N -3.706 105.233 108.800 0.232 0.000 2.205 88 G HA2 -0.286 3.743 3.960 0.116 0.000 0.180 88 G HA3 -0.286 3.763 3.960 0.148 0.000 0.180 88 G C -0.897 174.086 174.900 0.139 0.000 1.004 88 G CA -0.394 44.798 45.100 0.153 0.000 0.670 88 G HN -0.317 7.956 8.290 0.184 0.128 0.496 89 L N 2.176 123.497 121.223 0.163 0.000 2.292 89 L HA 0.402 5.023 4.340 0.140 -0.197 0.284 89 L C -1.111 175.812 176.870 0.089 0.000 1.065 89 L CA -1.500 53.426 54.840 0.143 0.000 0.806 89 L CB -0.267 41.906 42.059 0.190 0.000 1.175 89 L HN -0.048 8.253 8.230 0.206 0.054 0.431 90 E N 1.206 121.461 120.200 0.091 0.000 2.222 90 E HA 0.440 4.814 4.350 0.040 0.000 0.267 90 E C -2.038 174.609 176.600 0.078 0.000 0.884 90 E CA -2.216 54.224 56.400 0.068 0.000 0.764 90 E CB 2.903 32.645 29.700 0.071 0.000 1.169 90 E HN 0.877 9.192 8.360 0.111 0.112 0.413 91 L N 3.174 124.427 121.223 0.050 0.000 2.292 91 L HA 0.303 4.861 4.340 0.078 -0.171 0.284 91 L C -0.299 176.645 176.870 0.123 0.000 1.065 91 L CA -0.599 54.279 54.840 0.064 0.000 0.806 91 L CB 1.249 43.284 42.059 -0.040 0.000 1.175 91 L HN 0.383 8.627 8.230 0.024 0.000 0.431 92 I N 2.318 122.983 120.570 0.159 0.000 2.439 92 I HA 0.208 4.467 4.170 0.148 0.000 0.285 92 I C -1.128 175.050 176.117 0.101 0.000 1.021 92 I CA -3.146 58.246 61.300 0.154 0.000 1.091 92 I CB 1.284 39.392 38.000 0.180 0.000 1.242 92 I HN 0.570 8.818 8.210 0.138 0.044 0.439 93 L N 8.822 130.089 121.223 0.074 0.000 2.418 93 L HA 0.085 4.163 4.340 -0.438 0.000 0.274 93 L C 0.899 177.637 176.870 -0.219 0.000 1.135 93 L CA -0.051 54.672 54.840 -0.195 0.000 0.870 93 L CB 0.207 42.154 42.059 -0.188 0.000 1.154 93 L HN 0.516 8.819 8.230 0.121 0.000 0.462 94 F N 8.328 128.014 119.950 -0.439 0.000 2.202 94 F HA -0.327 3.929 4.527 -0.450 0.000 0.301 94 F C -0.441 175.318 175.800 -0.068 0.000 1.082 94 F CA 2.545 60.315 58.000 -0.382 0.000 1.313 94 F CB -0.267 38.400 39.000 -0.556 0.000 1.024 94 F HN 0.338 8.496 8.300 -0.236 0.000 0.495 95 N N -1.390 116.514 118.700 -1.326 0.000 2.457 95 N HA -0.133 4.054 4.740 -0.921 0.000 0.180 95 N C -0.196 175.084 175.510 -0.384 0.000 1.050 95 N CA 0.447 52.905 53.050 -0.987 0.000 0.906 95 N CB 0.389 38.274 38.487 -1.004 0.000 0.968 95 N HN 0.002 7.508 8.380 -1.415 0.025 0.445 96 S N -0.691 114.860 115.700 -0.248 0.000 2.632 96 S HA 0.402 4.810 4.470 -0.103 0.000 0.271 96 S C -0.352 174.241 174.600 -0.012 0.000 1.260 96 S CA -2.951 55.193 58.200 -0.094 0.000 1.010 96 S CB 1.432 64.606 63.200 -0.044 0.000 0.965 96 S HN -0.302 7.637 8.310 -0.292 0.196 0.534 97 P HA -0.045 4.380 4.420 0.008 0.000 0.230 97 P C 0.677 177.997 177.300 0.034 0.000 1.158 97 P CA 1.272 64.380 63.100 0.012 0.000 0.769 97 P CB 0.164 31.866 31.700 0.003 0.000 0.807 98 E N -0.487 119.748 120.200 0.058 0.000 2.047 98 E HA -0.327 4.057 4.350 0.056 0.000 0.191 98 E C 1.674 178.346 176.600 0.120 0.000 0.987 98 E CA 3.540 59.987 56.400 0.079 0.000 0.799 98 E CB -0.426 29.327 29.700 0.089 0.000 0.752 98 E HN 0.239 8.562 8.360 0.050 0.067 0.449 99 Y N -0.133 120.185 120.300 0.030 0.000 2.145 99 Y HA -0.460 4.136 4.550 0.076 0.000 0.286 99 Y C 1.246 177.180 175.900 0.057 0.000 1.145 99 Y CA 3.156 61.291 58.100 0.059 0.000 1.148 99 Y CB -0.032 38.471 38.460 0.072 0.000 0.981 99 Y HN -0.741 7.680 8.280 0.235 0.000 0.507 100 Q N -3.336 116.396 119.800 -0.114 0.000 2.172 100 Q HA -0.321 3.783 4.340 -0.393 0.000 0.200 100 Q C 2.104 178.029 176.000 -0.125 0.000 0.964 100 Q CA 2.297 57.981 55.803 -0.198 0.000 0.855 100 Q CB -0.375 28.325 28.738 -0.063 0.000 0.918 100 Q HN -0.664 7.648 8.270 0.070 0.000 0.444 101 R N -0.613 119.855 120.500 -0.053 0.000 2.103 101 R HA -0.247 4.077 4.340 -0.027 0.000 0.234 101 R C 2.127 178.405 176.300 -0.037 0.000 1.132 101 R CA 2.357 58.441 56.100 -0.028 0.000 0.925 101 R CB -0.094 30.208 30.300 0.003 0.000 0.842 101 R HN -0.299 7.756 8.270 -0.021 0.203 0.430 102 L N -4.910 116.297 121.223 -0.027 0.000 2.291 102 L HA -0.077 4.260 4.340 -0.006 0.000 0.214 102 L C 0.147 176.982 176.870 -0.057 0.000 1.120 102 L CA 0.522 55.352 54.840 -0.017 0.000 0.799 102 L CB 0.194 42.269 42.059 0.026 0.000 0.925 102 L HN -0.647 7.577 8.230 -0.010 0.000 0.446 103 R N -5.336 115.076 120.500 -0.146 0.000 3.336 103 R HA -0.427 3.702 4.340 -0.352 0.000 0.260 103 R C -0.978 175.234 176.300 -0.146 0.000 1.032 103 R CA 0.500 56.477 56.100 -0.205 0.000 0.693 103 R CB -2.973 27.259 30.300 -0.114 0.000 1.134 103 R HN -0.623 7.401 8.270 -0.175 0.141 0.433 104 I N -0.579 119.914 120.570 -0.128 0.000 2.436 104 I HA -0.209 3.994 4.170 0.056 0.000 0.289 104 I C -0.204 175.980 176.117 0.112 0.000 1.083 104 I CA 0.584 61.918 61.300 0.056 0.000 1.372 104 I CB -0.103 38.020 38.000 0.205 0.000 1.408 104 I HN -0.664 7.424 8.210 -0.202 0.000 0.516 105 D N 8.621 129.079 120.400 0.096 0.000 2.382 105 D HA 0.086 4.776 4.640 0.083 0.000 0.240 105 D C -0.755 175.622 176.300 0.129 0.000 1.146 105 D CA -1.257 52.802 54.000 0.098 0.000 0.897 105 D CB 0.800 41.639 40.800 0.066 0.000 1.197 105 D HN 0.039 8.455 8.370 0.076 0.000 0.432 106 P HA -0.117 4.085 4.420 -0.363 0.000 0.214 106 P C 1.192 178.437 177.300 -0.091 0.000 1.162 106 P CA 1.967 64.943 63.100 -0.208 0.000 0.874 106 P CB 0.331 31.853 31.700 -0.297 0.000 0.784 107 I N -7.947 112.665 120.570 0.070 0.000 2.614 107 I HA -0.276 4.276 4.170 0.637 0.000 0.258 107 I C 0.304 176.617 176.117 0.327 0.000 1.189 107 I CA 2.565 64.058 61.300 0.321 0.000 1.462 107 I CB -0.560 37.563 38.000 0.204 0.000 1.092 107 I HN -0.249 7.975 8.210 0.024 0.000 0.442 108 N N -1.762 117.063 118.700 0.207 0.000 2.412 108 N HA -0.003 4.811 4.740 0.123 0.000 0.184 108 N C -0.241 175.393 175.510 0.207 0.000 1.101 108 N CA 0.589 53.735 53.050 0.160 0.000 0.881 108 N CB -0.074 38.478 38.487 0.109 0.000 0.969 108 N HN -0.021 8.324 8.380 0.157 0.129 0.459 109 E N 0.112 120.506 120.200 0.323 0.000 2.390 109 E HA -0.071 4.463 4.350 0.306 0.000 0.261 109 E C -0.606 176.254 176.600 0.433 0.000 1.076 109 E CA -0.206 56.428 56.400 0.391 0.000 0.905 109 E CB 0.902 30.836 29.700 0.390 0.000 0.984 109 E HN -0.730 7.635 8.360 0.336 0.197 0.427 110 R N 1.421 122.125 120.500 0.340 0.000 2.074 110 R HA -0.004 4.363 4.340 0.045 0.000 0.218 110 R C 0.038 176.540 176.300 0.337 0.000 1.137 110 R CA 2.100 58.325 56.100 0.207 0.000 0.998 110 R CB 1.245 31.637 30.300 0.154 0.000 0.895 110 R HN 0.518 8.987 8.270 0.331 0.000 0.442 111 S N -4.451 111.516 115.700 0.446 0.000 2.521 111 S HA 0.259 5.064 4.470 0.558 0.000 0.295 111 S C -1.958 172.984 174.600 0.569 0.000 1.098 111 S CA -1.050 57.440 58.200 0.483 0.000 0.999 111 S CB 1.693 65.085 63.200 0.320 0.000 1.034 111 S HN -0.307 8.480 8.310 0.406 -0.233 0.483 112 F N 6.151 126.255 119.950 0.257 0.000 2.563 112 F HA 0.555 5.234 4.527 0.080 -0.105 0.316 112 F C -2.190 173.655 175.800 0.076 0.000 1.076 112 F CA -1.696 56.353 58.000 0.081 0.000 0.921 112 F CB 5.208 44.126 39.000 -0.136 0.000 1.209 112 F HN 0.744 9.293 8.300 0.592 0.106 0.462 113 I N 2.182 122.666 120.570 -0.144 0.000 2.512 113 I HA 0.429 4.751 4.170 0.041 -0.128 0.287 113 I C -1.779 174.247 176.117 -0.151 0.000 1.069 113 I CA -1.901 59.355 61.300 -0.073 0.000 1.056 113 I CB 2.998 40.952 38.000 -0.077 0.000 1.229 113 I HN 0.747 8.630 8.210 -0.544 0.000 0.429 114 C N 7.212 126.469 119.300 -0.072 0.000 2.358 114 C HA 0.439 4.951 4.460 -0.147 -0.140 0.342 114 C C -1.633 173.267 174.990 -0.150 0.000 1.234 114 C CA -0.858 58.115 59.018 -0.075 0.000 1.969 114 C CB 3.464 31.215 27.740 0.018 0.000 2.346 114 C HN 0.647 8.898 8.230 0.035 0.000 0.525 115 N N 4.281 122.913 118.700 -0.113 0.000 2.491 115 N HA 0.253 4.698 4.740 -0.491 0.000 0.274 115 N C -2.535 173.055 175.510 0.134 0.000 1.023 115 N CA -0.594 52.325 53.050 -0.217 0.000 0.902 115 N CB 3.116 41.462 38.487 -0.235 0.000 1.267 115 N HN 0.713 8.964 8.380 -0.047 0.100 0.503 116 Y N 7.868 128.225 120.300 0.095 0.000 2.409 116 Y HA 0.342 4.978 4.550 0.144 0.000 0.339 116 Y C -1.774 174.232 175.900 0.176 0.000 1.033 116 Y CA -2.679 55.554 58.100 0.221 0.000 1.094 116 Y CB 3.584 42.338 38.460 0.491 0.000 1.210 116 Y HN 0.685 9.086 8.280 0.202 0.000 0.456 117 K N 6.673 126.754 120.400 -0.532 0.000 2.365 117 K HA -0.303 3.895 4.320 -0.204 0.000 0.268 117 K C -0.404 175.897 176.600 -0.499 0.000 1.173 117 K CA 1.798 57.786 56.287 -0.498 0.000 1.204 117 K CB -0.398 31.804 32.500 -0.497 0.000 0.832 117 K HN 0.576 8.619 8.250 -0.346 0.000 0.481 118 E N -1.311 118.813 120.200 -0.127 0.000 2.358 118 E HA -0.445 3.941 4.350 0.059 0.000 0.246 118 E C -1.932 174.753 176.600 0.142 0.000 1.127 118 E CA 0.955 57.351 56.400 -0.007 0.000 0.726 118 E CB -0.769 28.892 29.700 -0.065 0.000 1.272 118 E HN 0.499 8.840 8.360 -0.031 0.000 0.390 119 H N -3.974 115.184 119.070 0.147 0.000 2.988 119 H HA 0.171 4.861 4.556 0.223 0.000 0.284 119 H C -2.648 172.962 175.328 0.469 0.000 1.284 119 H CA -0.032 56.182 56.048 0.277 0.000 1.431 119 H CB 2.664 32.627 29.762 0.335 0.000 1.954 119 H HN -0.115 8.336 8.280 0.284 0.000 0.509 120 W N 2.701 123.628 121.300 -0.622 0.000 2.882 120 W HA 0.309 4.856 4.660 -0.189 0.000 0.345 120 W C -1.739 174.446 176.519 -0.556 0.000 1.125 120 W CA -1.051 56.053 57.345 -0.402 0.000 1.167 120 W CB 3.587 32.955 29.460 -0.154 0.000 1.431 120 W HN 0.184 8.212 8.180 -0.253 0.000 0.543 121 F N 1.082 120.963 119.950 -0.115 0.000 2.574 121 F HA 0.202 4.741 4.527 0.021 0.000 0.313 121 F C -1.769 174.053 175.800 0.036 0.000 1.130 121 F CA -1.085 56.904 58.000 -0.019 0.000 0.936 121 F CB 4.650 43.668 39.000 0.031 0.000 1.219 121 F HN 0.862 9.170 8.300 0.014 0.000 0.445 122 T N 7.890 122.720 114.554 0.460 0.000 2.770 122 T HA 0.256 4.750 4.350 0.239 0.000 0.283 122 T C -1.760 173.051 174.700 0.186 0.000 0.988 122 T CA -0.410 61.855 62.100 0.275 0.000 0.957 122 T CB 0.664 69.665 68.868 0.220 0.000 0.930 122 T HN 0.394 8.943 8.240 0.515 0.000 0.443 123 V N 7.874 127.892 119.914 0.173 0.000 2.555 123 V HA 0.667 4.950 4.120 -0.001 -0.164 0.302 123 V C -1.855 174.453 176.094 0.357 0.000 1.038 123 V CA -1.245 61.149 62.300 0.156 0.000 0.887 123 V CB 3.113 35.008 31.823 0.119 0.000 0.991 123 V HN 0.947 9.260 8.190 0.206 0.000 0.434 124 R N 6.276 127.034 120.500 0.430 0.000 2.795 124 R HA 0.572 5.232 4.340 0.533 0.000 0.275 124 R C -2.389 174.154 176.300 0.405 0.000 0.981 124 R CA -2.576 53.822 56.100 0.496 0.000 0.917 124 R CB 5.005 35.566 30.300 0.435 0.000 1.202 124 R HN 1.165 9.610 8.270 0.292 0.000 0.469 125 K N 3.311 123.651 120.400 -0.100 0.000 2.234 125 K HA 0.059 3.624 4.320 -1.259 0.000 0.282 125 K C -1.238 175.172 176.600 -0.316 0.000 1.039 125 K CA 0.110 55.917 56.287 -0.800 0.000 0.928 125 K CB 0.927 32.752 32.500 -1.125 0.000 1.039 125 K HN -0.097 8.178 8.250 0.042 0.000 0.470 126 L N 8.302 129.353 121.223 -0.286 0.000 2.401 126 L HA 0.283 4.557 4.340 -0.109 0.000 0.263 126 L C -0.691 176.086 176.870 -0.155 0.000 1.004 126 L CA -0.890 53.869 54.840 -0.134 0.000 0.881 126 L CB 1.861 43.901 42.059 -0.031 0.000 1.219 126 L HN 0.343 8.327 8.230 -0.410 0.000 0.441 127 G N 5.546 114.258 108.800 -0.146 0.000 2.815 127 G HA2 -0.533 3.368 3.960 -0.098 0.000 0.326 127 G HA3 -0.533 3.375 3.960 -0.086 0.000 0.326 127 G C -0.172 174.643 174.900 -0.143 0.000 1.191 127 G CA 1.972 47.002 45.100 -0.116 0.000 0.965 127 G HN 0.378 8.584 8.290 -0.140 0.000 0.564 128 K N 5.022 125.355 120.400 -0.111 0.000 2.373 128 K HA 0.145 4.398 4.320 -0.111 0.000 0.200 128 K C -1.489 175.057 176.600 -0.090 0.000 1.054 128 K CA -0.255 55.976 56.287 -0.094 0.000 1.065 128 K CB 1.411 33.885 32.500 -0.043 0.000 0.886 128 K HN -0.103 8.096 8.250 -0.085 0.000 0.546 129 Q N -2.530 117.210 119.800 -0.099 0.000 2.345 129 Q HA 0.313 4.675 4.340 0.037 0.000 0.268 129 Q C -1.377 174.585 176.000 -0.063 0.000 1.054 129 Q CA -1.595 54.194 55.803 -0.024 0.000 0.835 129 Q CB 2.559 31.314 28.738 0.027 0.000 1.339 129 Q HN -0.400 7.805 8.270 -0.108 0.000 0.447 130 W N 0.163 121.488 121.300 0.043 0.000 2.283 130 W HA 0.118 4.925 4.660 0.089 -0.094 0.341 130 W C -0.728 175.871 176.519 0.133 0.000 1.206 130 W CA 0.026 57.409 57.345 0.062 0.000 1.294 130 W CB 2.729 32.184 29.460 -0.008 0.000 1.154 130 W HN 0.886 9.263 8.180 0.329 0.000 0.613 131 F N 1.954 122.085 119.950 0.301 0.000 2.539 131 F HA 0.702 5.473 4.527 0.146 -0.156 0.318 131 F C -2.563 173.370 175.800 0.222 0.000 1.135 131 F CA -2.321 55.796 58.000 0.194 0.000 0.915 131 F CB 3.303 42.389 39.000 0.143 0.000 1.176 131 F HN 1.175 9.829 8.300 0.591 0.000 0.440 132 N N 7.386 125.820 118.700 -0.443 0.000 2.370 132 N HA 0.847 5.488 4.740 -0.426 -0.157 0.303 132 N C -2.011 173.224 175.510 -0.458 0.000 1.103 132 N CA -0.965 51.831 53.050 -0.423 0.000 0.848 132 N CB 3.323 41.704 38.487 -0.178 0.000 1.235 132 N HN 0.753 8.978 8.380 -0.065 0.116 0.496 133 L N 0.391 121.519 121.223 -0.159 0.000 2.653 133 L HA 0.422 4.827 4.340 0.109 0.000 0.257 133 L C -3.052 173.864 176.870 0.077 0.000 0.969 133 L CA 0.114 54.958 54.840 0.007 0.000 0.869 133 L CB 3.632 45.713 42.059 0.036 0.000 1.439 133 L HN 0.585 8.832 8.230 0.029 0.000 0.414 134 N N 0.445 119.161 118.700 0.026 0.000 2.961 134 N HA 0.236 5.006 4.740 0.051 0.000 0.245 134 N C 0.090 175.630 175.510 0.051 0.000 1.404 134 N CA -0.510 52.529 53.050 -0.019 0.000 0.880 134 N CB 2.629 40.947 38.487 -0.281 0.000 1.461 134 N HN 0.075 8.491 8.380 0.060 0.000 0.510 135 S N 2.092 117.839 115.700 0.078 0.000 2.400 135 S HA -0.281 4.345 4.470 0.261 0.000 0.232 135 S C 0.785 175.429 174.600 0.075 0.000 1.025 135 S CA 2.422 60.699 58.200 0.129 0.000 0.993 135 S CB 0.095 63.314 63.200 0.032 0.000 0.808 135 S HN 0.445 8.786 8.310 0.051 0.000 0.478 136 L N -1.414 119.835 121.223 0.043 0.000 2.395 136 L HA -0.070 4.416 4.340 0.027 -0.130 0.218 136 L C 0.197 177.074 176.870 0.011 0.000 1.130 136 L CA 0.145 55.002 54.840 0.029 0.000 0.826 136 L CB 0.675 42.762 42.059 0.046 0.000 0.941 136 L HN -0.810 7.645 8.230 0.040 -0.202 0.451 137 L N -3.126 118.101 121.223 0.007 0.000 2.439 137 L HA 0.116 4.467 4.340 0.018 0.000 0.261 137 L C 0.879 177.782 176.870 0.055 0.000 1.153 137 L CA -0.146 54.709 54.840 0.025 0.000 0.808 137 L CB 1.187 43.265 42.059 0.031 0.000 1.126 137 L HN -0.466 7.579 8.230 0.002 0.186 0.460 138 T N -4.280 110.311 114.554 0.062 0.000 3.010 138 T HA 0.093 4.476 4.350 0.055 0.000 0.257 138 T C -0.178 174.574 174.700 0.087 0.000 1.020 138 T CA -0.256 61.881 62.100 0.062 0.000 0.938 138 T CB 1.080 69.977 68.868 0.047 0.000 1.049 138 T HN -0.010 8.267 8.240 0.063 0.000 0.522 139 G N 0.078 108.946 108.800 0.114 0.000 2.660 139 G HA2 0.211 4.267 3.960 0.160 0.000 0.290 139 G HA3 0.211 4.246 3.960 0.125 0.000 0.290 139 G C -3.176 171.852 174.900 0.213 0.000 1.432 139 G CA -1.071 44.119 45.100 0.150 0.000 0.807 139 G HN -0.702 7.654 8.290 0.110 0.000 0.485 140 P HA -0.048 4.901 4.420 0.659 -0.134 0.271 140 P C -1.556 175.933 177.300 0.314 0.000 1.216 140 P CA -0.663 62.713 63.100 0.460 0.000 0.771 140 P CB 1.156 33.098 31.700 0.403 0.000 0.864 141 E N 3.439 123.817 120.200 0.296 0.000 2.092 141 E HA 0.319 4.745 4.350 0.127 0.000 0.271 141 E C -1.000 175.694 176.600 0.156 0.000 0.919 141 E CA -1.264 55.231 56.400 0.158 0.000 0.760 141 E CB 2.182 31.939 29.700 0.095 0.000 1.106 141 E HN 0.451 8.894 8.360 0.307 0.101 0.408 142 L N 3.579 124.873 121.223 0.118 0.000 2.305 142 L HA 0.621 5.239 4.340 0.188 -0.165 0.281 142 L C -0.826 176.054 176.870 0.017 0.000 1.085 142 L CA -0.155 54.749 54.840 0.106 0.000 0.813 142 L CB 0.743 42.847 42.059 0.076 0.000 1.157 142 L HN 0.272 8.556 8.230 0.090 0.000 0.436 143 I N 4.876 125.480 120.570 0.056 0.000 2.769 143 I HA 0.239 4.351 4.170 -0.098 0.000 0.298 143 I C -0.650 175.544 176.117 0.127 0.000 1.128 143 I CA -1.047 60.257 61.300 0.006 0.000 1.031 143 I CB 4.287 42.243 38.000 -0.074 0.000 1.235 143 I HN 0.511 8.808 8.210 0.144 0.000 0.423 144 S N 2.520 118.282 115.700 0.103 0.000 2.652 144 S HA 0.197 4.761 4.470 0.157 0.000 0.270 144 S C 0.834 175.582 174.600 0.247 0.000 1.243 144 S CA -0.122 58.174 58.200 0.160 0.000 0.999 144 S CB 2.081 65.343 63.200 0.103 0.000 0.973 144 S HN 0.314 8.640 8.310 0.026 0.000 0.544 145 D N 1.607 122.160 120.400 0.256 0.000 2.117 145 D HA -0.262 4.612 4.640 0.390 0.000 0.198 145 D C 1.532 177.916 176.300 0.141 0.000 0.982 145 D CA 3.616 57.777 54.000 0.269 0.000 0.828 145 D CB -0.517 40.420 40.800 0.229 0.000 0.967 145 D HN 0.747 9.236 8.370 0.198 0.000 0.464 146 T N -0.270 114.357 114.554 0.122 0.000 2.881 146 T HA -0.335 4.048 4.350 0.054 0.000 0.270 146 T C 1.623 176.377 174.700 0.090 0.000 1.068 146 T CA 3.747 65.898 62.100 0.085 0.000 1.131 146 T CB 0.264 69.180 68.868 0.081 0.000 0.871 146 T HN -0.116 8.200 8.240 0.127 0.000 0.479 147 Y N -0.072 120.231 120.300 0.005 0.000 2.476 147 Y HA -0.094 4.454 4.550 -0.004 0.000 0.283 147 Y C 0.584 176.478 175.900 -0.009 0.000 1.109 147 Y CA 1.961 60.056 58.100 -0.008 0.000 1.246 147 Y CB 0.137 38.585 38.460 -0.020 0.000 1.068 147 Y HN -0.395 7.896 8.280 0.237 0.132 0.552 148 L N 1.045 122.315 121.223 0.079 0.000 2.017 148 L HA -0.459 3.910 4.340 0.050 0.000 0.208 148 L C 1.205 178.001 176.870 -0.122 0.000 1.073 148 L CA 3.375 58.181 54.840 -0.056 0.000 0.745 148 L CB -0.340 41.518 42.059 -0.335 0.000 0.894 148 L HN 0.131 8.242 8.230 0.129 0.196 0.432 149 A N -1.783 120.950 122.820 -0.146 0.000 1.892 149 A HA -0.409 3.785 4.320 -0.211 0.000 0.218 149 A C 2.016 179.483 177.584 -0.195 0.000 1.188 149 A CA 3.313 55.251 52.037 -0.165 0.000 0.631 149 A CB -0.702 18.241 19.000 -0.095 0.000 0.822 149 A HN -0.302 7.795 8.150 -0.089 0.000 0.447 150 L N -2.891 118.207 121.223 -0.209 0.000 2.109 150 L HA -0.318 3.891 4.340 -0.218 0.000 0.207 150 L C 1.877 178.545 176.870 -0.338 0.000 1.086 150 L CA 2.313 56.995 54.840 -0.263 0.000 0.760 150 L CB -0.092 41.797 42.059 -0.283 0.000 0.910 150 L HN -0.608 7.511 8.230 -0.185 0.000 0.437 151 F N 1.520 121.153 119.950 -0.528 0.000 2.069 151 F HA -0.384 3.829 4.527 -0.524 0.000 0.298 151 F C 1.241 176.812 175.800 -0.381 0.000 1.113 151 F CA 3.307 61.013 58.000 -0.491 0.000 1.214 151 F CB -0.028 38.726 39.000 -0.411 0.000 0.978 151 F HN 0.041 7.989 8.300 -0.287 0.180 0.474 152 L N -4.044 116.593 121.223 -0.975 0.000 2.093 152 L HA -0.157 3.283 4.340 -1.501 0.000 0.208 152 L C 1.829 178.309 176.870 -0.650 0.000 1.085 152 L CA 2.838 57.080 54.840 -0.997 0.000 0.755 152 L CB -1.265 40.479 42.059 -0.525 0.000 0.904 152 L HN 0.113 8.082 8.230 -0.436 0.000 0.435 153 A N -0.697 121.854 122.820 -0.448 0.000 1.940 153 A HA -0.412 3.947 4.320 -0.311 -0.225 0.219 153 A C 2.425 179.813 177.584 -0.326 0.000 1.176 153 A CA 3.101 54.943 52.037 -0.325 0.000 0.631 153 A CB -1.136 17.732 19.000 -0.220 0.000 0.814 153 A HN -0.091 7.818 8.150 -0.401 0.000 0.446 154 Q N -2.457 117.121 119.800 -0.371 0.000 2.167 154 Q HA -0.295 3.914 4.340 -0.219 0.000 0.202 154 Q C 2.551 178.345 176.000 -0.343 0.000 0.970 154 Q CA 3.072 58.690 55.803 -0.308 0.000 0.855 154 Q CB -0.023 28.536 28.738 -0.298 0.000 0.911 154 Q HN -0.231 7.766 8.270 -0.426 0.017 0.438 155 L N -1.792 119.109 121.223 -0.536 0.000 2.044 155 L HA -0.343 3.624 4.340 -0.622 0.000 0.205 155 L C 1.969 178.683 176.870 -0.260 0.000 1.075 155 L CA 2.681 57.183 54.840 -0.564 0.000 0.747 155 L CB -0.614 40.942 42.059 -0.838 0.000 0.903 155 L HN -0.770 6.944 8.230 -0.656 0.123 0.435 156 Q N -1.652 117.870 119.800 -0.463 0.000 2.084 156 Q HA -0.361 3.625 4.340 -0.590 0.000 0.202 156 Q C 2.504 178.418 176.000 -0.143 0.000 0.978 156 Q CA 2.375 57.857 55.803 -0.536 0.000 0.844 156 Q CB -0.273 27.902 28.738 -0.938 0.000 0.898 156 Q HN -0.024 7.909 8.270 -0.562 0.000 0.426 157 Q N -2.277 117.443 119.800 -0.133 0.000 2.369 157 Q HA -0.178 4.160 4.340 -0.003 0.000 0.206 157 Q C 1.194 177.192 176.000 -0.003 0.000 0.963 157 Q CA 2.197 57.973 55.803 -0.045 0.000 0.894 157 Q CB -0.242 28.454 28.738 -0.069 0.000 0.965 157 Q HN -0.352 7.791 8.270 -0.212 0.000 0.475 158 E N -1.005 119.204 120.200 0.015 0.000 2.035 158 E HA 0.008 4.389 4.350 0.053 0.000 0.191 158 E C 0.449 177.115 176.600 0.111 0.000 0.966 158 E CA 0.690 57.144 56.400 0.090 0.000 0.823 158 E CB 1.093 30.901 29.700 0.179 0.000 0.791 158 E HN -0.663 7.510 8.360 -0.028 0.170 0.459 159 G N -2.216 106.694 108.800 0.183 0.000 4.047 159 G HA2 -0.016 3.992 3.960 0.080 0.000 0.230 159 G HA3 -0.016 3.932 3.960 -0.020 0.000 0.230 159 G C -2.101 172.766 174.900 -0.056 0.000 3.044 159 G CA 0.335 45.466 45.100 0.052 0.000 0.881 159 G HN 0.009 8.520 8.290 0.368 0.000 0.377 160 Y N -1.589 118.702 120.300 -0.015 0.000 2.650 160 Y HA 0.262 4.865 4.550 0.088 0.000 0.331 160 Y C -1.121 174.766 175.900 -0.022 0.000 1.082 160 Y CA -1.725 56.369 58.100 -0.010 0.000 1.171 160 Y CB 2.916 41.315 38.460 -0.101 0.000 1.326 160 Y HN -0.298 8.147 8.280 0.276 0.000 0.513 161 S N 1.757 117.524 115.700 0.112 0.000 2.461 161 S HA 0.229 4.746 4.470 0.079 0.000 0.322 161 S C -1.758 172.679 174.600 -0.272 0.000 1.063 161 S CA -0.432 57.733 58.200 -0.059 0.000 1.120 161 S CB 0.302 63.457 63.200 -0.075 0.000 0.968 161 S HN 0.280 8.701 8.310 0.185 0.000 0.467 162 I N 6.406 126.765 120.570 -0.352 0.000 2.312 162 I HA 0.021 3.902 4.170 -0.483 0.000 0.290 162 I C -1.727 173.978 176.117 -0.686 0.000 1.008 162 I CA -0.122 60.851 61.300 -0.545 0.000 1.226 162 I CB 1.222 38.786 38.000 -0.726 0.000 1.371 162 I HN 0.470 8.664 8.210 -0.026 0.000 0.468 163 F N 7.187 126.808 119.950 -0.548 0.000 2.469 163 F HA 0.415 4.880 4.527 -0.345 -0.145 0.332 163 F C -0.894 174.442 175.800 -0.773 0.000 1.103 163 F CA -1.802 55.903 58.000 -0.492 0.000 0.979 163 F CB 3.082 41.876 39.000 -0.343 0.000 1.137 163 F HN 0.901 8.933 8.300 -0.446 0.000 0.463 164 V N 3.910 123.641 119.914 -0.304 0.000 2.350 164 V HA 0.086 3.963 4.120 -0.404 0.000 0.276 164 V C -1.089 175.055 176.094 0.083 0.000 1.028 164 V CA -0.161 62.046 62.300 -0.154 0.000 0.860 164 V CB 0.677 32.570 31.823 0.117 0.000 0.990 164 V HN 0.961 8.950 8.190 -0.122 0.128 0.453 165 V N 10.346 130.351 119.914 0.152 0.000 2.334 165 V HA 0.306 4.742 4.120 0.135 -0.236 0.267 165 V C -1.863 174.367 176.094 0.226 0.000 1.040 165 V CA -0.591 61.814 62.300 0.176 0.000 0.866 165 V CB 0.269 32.199 31.823 0.177 0.000 1.019 165 V HN 0.699 9.004 8.190 0.191 0.000 0.468 166 K N 7.439 127.953 120.400 0.189 0.000 2.318 166 K HA 0.440 4.880 4.320 0.200 0.000 0.249 166 K C -1.364 175.324 176.600 0.146 0.000 0.942 166 K CA -2.007 54.388 56.287 0.181 0.000 0.808 166 K CB 3.422 36.029 32.500 0.178 0.000 1.189 166 K HN 0.228 8.575 8.250 0.162 0.000 0.428 167 G N 2.848 111.729 108.800 0.134 0.000 2.373 167 G HA2 -0.155 3.867 3.960 0.103 0.000 0.250 167 G HA3 -0.155 4.057 3.960 0.126 -0.176 0.250 167 G C -2.559 172.404 174.900 0.104 0.000 1.304 167 G CA -0.122 45.048 45.100 0.117 0.000 0.948 167 G HN -0.152 8.220 8.290 0.137 0.000 0.474 168 D N 1.319 121.780 120.400 0.100 0.000 2.381 168 D HA 0.352 5.030 4.640 0.063 0.000 0.235 168 D C -0.802 175.541 176.300 0.071 0.000 1.068 168 D CA -0.305 53.739 54.000 0.074 0.000 0.832 168 D CB 1.111 41.946 40.800 0.058 0.000 1.101 168 D HN -0.078 8.359 8.370 0.113 0.000 0.515 169 L N 3.596 124.845 121.223 0.043 0.000 2.352 169 L HA 0.544 4.889 4.340 0.008 0.000 0.269 169 L C -0.446 176.384 176.870 -0.068 0.000 1.034 169 L CA -1.950 52.891 54.840 0.002 0.000 0.806 169 L CB 0.798 42.874 42.059 0.028 0.000 1.244 169 L HN 0.138 8.393 8.230 0.042 0.000 0.447 170 P HA -0.080 4.239 4.420 -0.168 0.000 0.215 170 P C -0.597 176.627 177.300 -0.128 0.000 1.157 170 P CA 0.807 63.783 63.100 -0.207 0.000 0.859 170 P CB 0.199 31.643 31.700 -0.426 0.000 0.786 171 D N 0.000 120.334 120.400 -0.110 0.000 6.856 171 D HA 0.000 4.614 4.640 -0.044 0.000 0.175 171 D CA 0.000 53.968 54.000 -0.053 0.000 0.868 171 D CB 0.000 40.781 40.800 -0.032 0.000 0.688 171 D HN 0.000 8.287 8.370 -0.138 0.000 0.683