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 2rlp_1_A DATA FIRST_RESID 20 DATA SEQUENCE DcNELPPRRN TEILTGSWSD QTYPEGTQAI YKcRPGYRSL GNVIMVcRKG DATA SEQUENCE EWVALNPLRK cQKRPcGHPG DTPFGTFTLT GGNVFEYGVK AVYTcNEGYQ DATA SEQUENCE LLGEINYREc DTDGWTNDIP IcE 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 20 D HA 0.000 4.596 4.640 -0.073 0.000 0.175 20 D C 0.000 176.271 176.300 -0.049 0.000 2.045 20 D CA 0.000 53.970 54.000 -0.050 0.000 0.868 20 D CB 0.000 40.791 40.800 -0.014 0.000 0.688 21 c N 0.112 118.679 118.600 -0.054 0.000 2.653 21 c HA -0.136 4.545 4.570 -0.107 -0.175 0.421 21 c C 0.687 174.836 174.090 0.099 0.000 1.334 21 c CA -0.602 55.715 56.329 -0.019 0.000 1.885 21 c CB -0.385 42.152 42.510 0.045 0.000 2.645 21 c HN 0.549 8.751 8.230 -0.046 0.000 0.601 22 N N 2.206 120.967 118.700 0.101 0.000 2.291 22 N HA 0.090 4.957 4.740 0.109 -0.062 0.244 22 N C -1.757 173.834 175.510 0.136 0.000 1.216 22 N CA 0.323 53.435 53.050 0.104 0.000 0.879 22 N CB 1.383 39.904 38.487 0.056 0.000 1.167 22 N HN 0.442 8.869 8.380 0.078 0.000 0.515 23 E N -2.811 117.520 120.200 0.218 0.000 2.390 23 E HA 0.230 4.675 4.350 0.158 0.000 0.280 23 E C -1.971 174.824 176.600 0.325 0.000 0.992 23 E CA -1.495 55.036 56.400 0.217 0.000 0.790 23 E CB 2.863 32.668 29.700 0.175 0.000 1.248 23 E HN -0.579 7.869 8.360 0.282 0.081 0.447 24 L N 1.433 122.738 121.223 0.137 0.000 2.436 24 L HA 0.047 4.403 4.340 0.027 0.000 0.265 24 L C -0.977 175.589 176.870 -0.506 0.000 1.168 24 L CA -1.614 53.180 54.840 -0.077 0.000 0.815 24 L CB -0.301 41.708 42.059 -0.084 0.000 1.109 24 L HN 0.252 8.537 8.230 0.092 0.000 0.462 25 P HA 0.211 3.462 4.420 -1.948 0.000 0.269 25 P C -2.252 174.559 177.300 -0.814 0.000 1.209 25 P CA -1.450 60.617 63.100 -1.721 0.000 0.776 25 P CB -0.668 29.543 31.700 -2.482 0.000 0.876 26 P HA 0.251 4.542 4.420 -0.215 0.000 0.278 26 P C -1.608 175.617 177.300 -0.124 0.000 1.266 26 P CA -0.795 62.167 63.100 -0.229 0.000 0.807 26 P CB 1.955 33.577 31.700 -0.131 0.000 1.094 27 R N -2.615 117.839 120.500 -0.076 0.000 2.732 27 R HA 0.792 5.197 4.340 0.108 0.000 0.278 27 R C -0.590 175.703 176.300 -0.011 0.000 0.976 27 R CA -1.190 54.909 56.100 -0.002 0.000 0.963 27 R CB 2.352 32.628 30.300 -0.039 0.000 1.150 27 R HN 0.263 8.477 8.270 -0.093 0.000 0.478 28 R N 0.598 121.098 120.500 -0.001 0.000 2.960 28 R HA 0.300 4.593 4.340 -0.079 0.000 0.249 28 R C -0.669 175.580 176.300 -0.086 0.000 1.192 28 R CA -1.626 54.430 56.100 -0.073 0.000 1.035 28 R CB 1.822 32.032 30.300 -0.151 0.000 1.234 28 R HN 0.007 8.307 8.270 0.050 0.000 0.493 29 N N -0.236 118.393 118.700 -0.118 0.000 2.092 29 N HA -0.082 4.599 4.740 -0.098 0.000 0.189 29 N C 1.495 176.863 175.510 -0.238 0.000 1.040 29 N CA 3.027 55.995 53.050 -0.136 0.000 0.845 29 N CB 0.129 38.544 38.487 -0.119 0.000 1.017 29 N HN 0.462 8.768 8.380 -0.123 0.000 0.426 30 T N -4.656 109.708 114.554 -0.317 0.000 3.065 30 T HA 0.137 3.982 4.350 -0.841 0.000 0.252 30 T C -0.006 174.489 174.700 -0.341 0.000 1.099 30 T CA 1.871 63.642 62.100 -0.547 0.000 1.063 30 T CB 0.144 68.678 68.868 -0.556 0.000 0.948 30 T HN -0.123 7.967 8.240 -0.251 0.000 0.506 31 E N -0.180 119.909 120.200 -0.184 0.000 2.277 31 E HA 0.925 5.475 4.350 -0.029 -0.218 0.266 31 E C -1.231 175.423 176.600 0.090 0.000 0.901 31 E CA -1.498 54.880 56.400 -0.038 0.000 0.782 31 E CB 3.448 33.092 29.700 -0.093 0.000 1.228 31 E HN -0.588 7.613 8.360 -0.182 0.050 0.424 32 I N -0.352 120.320 120.570 0.171 0.000 2.730 32 I HA 0.267 4.489 4.170 0.086 0.000 0.298 32 I C -1.700 174.417 176.117 -0.001 0.000 1.089 32 I CA -1.433 59.923 61.300 0.094 0.000 1.041 32 I CB 4.064 42.076 38.000 0.021 0.000 1.235 32 I HN 0.336 8.652 8.210 0.176 0.000 0.423 33 L N 3.767 124.890 121.223 -0.167 0.000 2.410 33 L HA -0.032 3.846 4.340 -0.771 0.000 0.273 33 L C 0.151 176.971 176.870 -0.084 0.000 1.144 33 L CA 0.605 55.242 54.840 -0.339 0.000 0.863 33 L CB 0.381 42.264 42.059 -0.294 0.000 1.140 33 L HN 0.412 8.584 8.230 -0.098 0.000 0.463 34 T N 2.181 116.695 114.554 -0.067 0.000 2.912 34 T HA 0.273 4.604 4.350 -0.032 0.000 0.326 34 T C -1.063 173.598 174.700 -0.064 0.000 1.080 34 T CA -1.278 60.800 62.100 -0.036 0.000 1.000 34 T CB 0.525 69.371 68.868 -0.036 0.000 1.008 34 T HN 0.229 8.375 8.240 -0.157 0.000 0.473 35 G N 3.002 111.698 108.800 -0.172 0.000 2.352 35 G HA2 -0.146 3.609 3.960 -0.342 0.000 0.302 35 G HA3 -0.146 3.424 3.960 -0.650 0.000 0.302 35 G C -2.276 172.216 174.900 -0.681 0.000 1.370 35 G CA -0.199 44.622 45.100 -0.465 0.000 0.918 35 G HN -0.436 7.781 8.290 -0.122 0.000 0.610 36 S N 1.432 116.678 115.700 -0.757 0.000 2.430 36 S HA 0.241 4.511 4.470 -0.333 0.000 0.289 36 S C -1.178 173.005 174.600 -0.696 0.000 1.143 36 S CA 0.220 58.104 58.200 -0.527 0.000 1.067 36 S CB 0.636 63.670 63.200 -0.276 0.000 0.964 36 S HN 0.074 7.959 8.310 -0.708 0.000 0.485 37 W N 5.271 126.553 121.300 -0.030 0.000 2.619 37 W HA 0.221 4.941 4.660 0.101 0.000 0.327 37 W C -0.008 176.566 176.519 0.091 0.000 1.027 37 W CA -0.360 56.985 57.345 0.000 0.000 1.233 37 W CB 1.759 31.103 29.460 -0.193 0.000 1.370 37 W HN 0.167 8.322 8.180 -0.042 0.000 0.453 38 S N 3.029 118.983 115.700 0.424 0.000 2.998 38 S HA 0.116 4.706 4.470 0.200 0.000 0.256 38 S C -1.332 173.394 174.600 0.211 0.000 0.970 38 S CA 0.516 58.860 58.200 0.239 0.000 1.238 38 S CB 1.092 64.370 63.200 0.130 0.000 1.170 38 S HN 0.672 9.380 8.310 0.663 0.000 0.663 39 D N 0.489 121.082 120.400 0.321 0.000 2.645 39 D HA 0.202 4.899 4.640 0.096 0.000 0.228 39 D C -1.366 175.085 176.300 0.251 0.000 1.148 39 D CA -0.488 53.593 54.000 0.135 0.000 0.860 39 D CB 2.485 43.203 40.800 -0.138 0.000 1.548 39 D HN -0.841 7.917 8.370 0.645 0.000 0.460 40 Q N 0.303 120.192 119.800 0.148 0.000 2.172 40 Q HA -0.156 4.314 4.340 0.217 0.000 0.200 40 Q C -0.192 175.942 176.000 0.224 0.000 0.964 40 Q CA 1.796 57.707 55.803 0.180 0.000 0.855 40 Q CB 0.847 29.648 28.738 0.105 0.000 0.918 40 Q HN 0.348 8.668 8.270 0.082 0.000 0.444 41 T N -2.433 112.190 114.554 0.114 0.000 2.772 41 T HA 0.365 4.986 4.350 0.183 -0.161 0.288 41 T C -0.881 173.819 174.700 0.001 0.000 0.994 41 T CA -1.252 60.905 62.100 0.096 0.000 0.951 41 T CB 0.919 69.803 68.868 0.027 0.000 0.933 41 T HN -0.141 8.531 8.240 0.022 -0.419 0.447 42 Y N 4.942 125.330 120.300 0.148 0.000 2.509 42 Y HA 0.333 4.977 4.550 0.156 0.000 0.341 42 Y C -2.254 173.678 175.900 0.054 0.000 1.038 42 Y CA -2.073 56.126 58.100 0.164 0.000 1.089 42 Y CB 3.495 42.166 38.460 0.352 0.000 1.241 42 Y HN -0.234 8.255 8.280 0.350 0.000 0.468 43 P HA 0.068 4.711 4.420 0.035 -0.202 0.271 43 P C -0.606 176.705 177.300 0.018 0.000 1.216 43 P CA -0.825 62.320 63.100 0.075 0.000 0.776 43 P CB 0.639 32.385 31.700 0.077 0.000 0.881 44 E N 2.898 123.072 120.200 -0.043 0.000 2.414 44 E HA -0.560 3.673 4.350 -0.194 0.000 0.263 44 E C 0.892 177.452 176.600 -0.067 0.000 1.000 44 E CA 1.310 57.648 56.400 -0.105 0.000 0.914 44 E CB 0.240 29.886 29.700 -0.090 0.000 0.948 44 E HN 0.091 8.833 8.360 -0.029 -0.399 0.444 45 G N 6.977 115.720 108.800 -0.095 0.000 2.184 45 G HA2 -0.324 3.613 3.960 -0.039 0.000 0.206 45 G HA3 -0.324 3.629 3.960 -0.012 0.000 0.206 45 G C -0.423 174.483 174.900 0.011 0.000 0.995 45 G CA -0.215 44.864 45.100 -0.035 0.000 0.651 45 G HN 0.896 8.970 8.290 -0.171 0.114 0.511 46 T N 5.548 120.105 114.554 0.005 0.000 2.737 46 T HA -0.070 4.379 4.350 0.166 0.000 0.296 46 T C -0.981 173.865 174.700 0.243 0.000 0.922 46 T CA 0.624 62.816 62.100 0.154 0.000 1.079 46 T CB 0.122 69.170 68.868 0.299 0.000 0.892 46 T HN -0.574 7.557 8.240 -0.079 0.062 0.514 47 Q N 6.991 126.959 119.800 0.280 0.000 2.235 47 Q HA 0.429 5.118 4.340 0.338 -0.146 0.250 47 Q C -1.580 174.684 176.000 0.440 0.000 0.909 47 Q CA -1.702 54.292 55.803 0.318 0.000 0.910 47 Q CB 1.569 30.425 28.738 0.196 0.000 1.223 47 Q HN 0.345 8.749 8.270 0.223 0.000 0.432 48 A N 3.564 126.627 122.820 0.405 0.000 2.287 48 A HA 0.466 5.117 4.320 0.551 0.000 0.317 48 A C -1.917 175.786 177.584 0.199 0.000 1.220 48 A CA -1.628 50.581 52.037 0.286 0.000 0.835 48 A CB 2.311 21.207 19.000 -0.173 0.000 1.180 48 A HN 1.082 9.331 8.150 0.389 0.135 0.500 49 I N 4.630 125.283 120.570 0.139 0.000 2.325 49 I HA 0.126 4.401 4.170 0.176 0.000 0.291 49 I C -0.708 175.406 176.117 -0.005 0.000 1.019 49 I CA -0.457 60.906 61.300 0.106 0.000 1.302 49 I CB 0.543 38.587 38.000 0.073 0.000 1.401 49 I HN 0.574 8.903 8.210 0.198 0.000 0.485 50 Y N 8.170 128.490 120.300 0.033 0.000 2.352 50 Y HA 0.478 5.192 4.550 0.008 -0.160 0.326 50 Y C -0.141 175.757 175.900 -0.002 0.000 1.166 50 Y CA -0.731 57.370 58.100 0.002 0.000 1.182 50 Y CB 2.383 40.823 38.460 -0.034 0.000 1.216 50 Y HN 0.491 8.979 8.280 0.347 0.000 0.474 51 K N 2.478 122.956 120.400 0.129 0.000 2.258 51 K HA 0.249 4.600 4.320 0.052 0.000 0.284 51 K C -0.987 175.652 176.600 0.065 0.000 1.051 51 K CA -1.121 55.207 56.287 0.069 0.000 0.923 51 K CB 0.615 33.135 32.500 0.033 0.000 1.046 51 K HN 1.031 9.231 8.250 0.113 0.119 0.474 52 c N 7.525 126.152 118.600 0.045 0.000 2.416 52 c HA 0.002 4.578 4.570 0.010 0.000 0.355 52 c C 0.351 174.462 174.090 0.035 0.000 1.211 52 c CA 0.177 56.525 56.329 0.032 0.000 1.699 52 c CB -2.268 40.266 42.510 0.040 0.000 2.310 52 c HN 0.832 9.089 8.230 0.045 0.000 0.539 53 R N 5.869 126.383 120.500 0.024 0.000 2.705 53 R HA -0.166 4.187 4.340 0.023 0.000 0.264 53 R C -1.462 174.869 176.300 0.053 0.000 0.988 53 R CA -0.008 56.122 56.100 0.050 0.000 1.103 53 R CB -0.379 29.957 30.300 0.060 0.000 0.950 53 R HN -0.411 7.843 8.270 -0.027 0.000 0.427 54 P HA -0.198 4.170 4.420 -0.087 0.000 0.264 54 P C -0.624 176.499 177.300 -0.295 0.000 1.229 54 P CA 0.908 63.956 63.100 -0.086 0.000 0.780 54 P CB -0.161 31.516 31.700 -0.039 0.000 0.808 55 G N 1.288 109.804 108.800 -0.474 0.000 2.211 55 G HA2 -0.271 3.191 3.960 -0.831 0.000 0.201 55 G HA3 -0.271 2.310 3.960 -2.299 0.000 0.201 55 G C -1.787 172.425 174.900 -1.148 0.000 0.997 55 G CA -0.085 44.292 45.100 -1.203 0.000 0.652 55 G HN -0.119 8.001 8.290 -0.285 0.000 0.500 56 Y N -0.356 119.701 120.300 -0.405 0.000 2.633 56 Y HA 0.717 5.240 4.550 -0.199 -0.092 0.339 56 Y C -2.092 173.727 175.900 -0.134 0.000 1.045 56 Y CA -1.004 56.960 58.100 -0.226 0.000 1.098 56 Y CB 4.412 42.766 38.460 -0.177 0.000 1.296 56 Y HN -0.141 7.863 8.280 -0.178 0.169 0.494 57 R N -3.554 116.999 120.500 0.088 0.000 2.826 57 R HA 0.340 4.702 4.340 0.035 0.000 0.269 57 R C -2.187 174.140 176.300 0.045 0.000 1.031 57 R CA -0.595 55.529 56.100 0.040 0.000 0.900 57 R CB 2.862 33.166 30.300 0.007 0.000 1.318 57 R HN 1.050 9.299 8.270 0.141 0.105 0.447 58 S N -0.984 114.733 115.700 0.028 0.000 4.207 58 S HA 0.153 4.639 4.470 0.026 0.000 0.177 58 S C -0.964 173.647 174.600 0.019 0.000 0.981 58 S CA 0.654 58.867 58.200 0.023 0.000 1.097 58 S CB 1.388 64.598 63.200 0.017 0.000 1.525 58 S HN 0.345 8.669 8.310 0.023 0.000 0.686 59 L N -1.237 119.996 121.223 0.018 0.000 1.728 59 L HA 0.183 4.532 4.340 0.015 0.000 0.193 59 L C -0.206 176.674 176.870 0.017 0.000 1.247 59 L CA 0.668 55.517 54.840 0.016 0.000 1.304 59 L CB 2.001 44.070 42.059 0.016 0.000 2.616 59 L HN -0.056 8.186 8.230 0.019 0.000 0.504 60 G N -0.911 107.901 108.800 0.021 0.000 2.890 60 G HA2 0.143 4.115 3.960 0.022 0.000 0.199 60 G HA3 0.143 4.118 3.960 0.026 0.000 0.199 60 G C -2.210 172.708 174.900 0.031 0.000 1.729 60 G CA -0.002 45.113 45.100 0.024 0.000 0.767 60 G HN -0.574 7.728 8.290 0.021 0.000 0.804 61 N N -1.319 117.405 118.700 0.040 0.000 2.416 61 N HA 0.166 4.938 4.740 0.054 0.000 0.276 61 N C -1.471 174.078 175.510 0.064 0.000 1.261 61 N CA -0.325 52.760 53.050 0.058 0.000 0.790 61 N CB 3.879 42.409 38.487 0.072 0.000 1.554 61 N HN -0.318 8.085 8.380 0.039 0.000 0.481 62 V N 2.364 122.327 119.914 0.082 0.000 2.372 62 V HA -0.023 4.110 4.120 0.023 0.000 0.261 62 V C -1.372 174.811 176.094 0.148 0.000 1.055 62 V CA 0.246 62.578 62.300 0.053 0.000 0.930 62 V CB 0.104 31.893 31.823 -0.057 0.000 1.031 62 V HN 0.229 8.482 8.190 0.105 0.000 0.479 63 I N 8.259 128.898 120.570 0.115 0.000 2.321 63 I HA 0.496 4.997 4.170 0.240 -0.187 0.291 63 I C -0.725 175.487 176.117 0.158 0.000 0.998 63 I CA -2.447 58.952 61.300 0.165 0.000 1.227 63 I CB -0.080 37.991 38.000 0.118 0.000 1.368 63 I HN 0.104 8.355 8.210 0.068 0.000 0.466 64 M N 6.200 125.952 119.600 0.254 0.000 2.762 64 M HA 0.602 5.319 4.480 0.152 -0.146 0.306 64 M C -1.855 174.622 176.300 0.296 0.000 1.223 64 M CA -0.663 54.784 55.300 0.246 0.000 0.896 64 M CB 4.000 36.780 32.600 0.300 0.000 1.684 64 M HN 0.843 9.344 8.290 0.352 0.000 0.491 65 V N -1.672 118.400 119.914 0.264 0.000 3.048 65 V HA 0.555 5.041 4.120 0.299 -0.186 0.303 65 V C -2.890 173.170 176.094 -0.057 0.000 1.214 65 V CA -2.053 60.350 62.300 0.172 0.000 0.984 65 V CB 4.336 36.207 31.823 0.079 0.000 1.054 65 V HN 1.022 9.235 8.190 0.223 0.111 0.430 66 c N 8.394 126.709 118.600 -0.475 0.000 2.499 66 c HA 0.536 4.719 4.570 -0.967 -0.193 0.386 66 c C -1.670 172.170 174.090 -0.416 0.000 1.293 66 c CA -1.280 54.510 56.329 -0.899 0.000 1.884 66 c CB -0.926 40.667 42.510 -1.529 0.000 2.509 66 c HN 0.761 8.639 8.230 -0.396 0.114 0.566 67 R N 7.017 127.327 120.500 -0.315 0.000 2.522 67 R HA 0.242 4.487 4.340 -0.157 0.000 0.283 67 R C -0.940 175.270 176.300 -0.151 0.000 1.074 67 R CA -0.414 55.581 56.100 -0.175 0.000 0.925 67 R CB 2.380 32.617 30.300 -0.105 0.000 1.205 67 R HN 0.995 9.050 8.270 -0.358 0.000 0.436 68 K N 4.904 125.234 120.400 -0.116 0.000 3.407 68 K HA -0.309 3.971 4.320 -0.068 0.000 0.312 68 K C -0.473 176.072 176.600 -0.090 0.000 1.302 68 K CA 1.255 57.492 56.287 -0.083 0.000 0.931 68 K CB -2.248 30.216 32.500 -0.060 0.000 1.257 68 K HN 1.207 9.829 8.250 -0.109 -0.437 0.454 69 G N -4.974 103.743 108.800 -0.139 0.000 2.195 69 G HA2 -0.427 3.508 3.960 -0.136 0.000 0.224 69 G HA3 -0.427 3.490 3.960 -0.072 0.000 0.224 69 G C -1.473 173.339 174.900 -0.148 0.000 0.990 69 G CA -0.097 44.928 45.100 -0.125 0.000 0.639 69 G HN 0.434 8.545 8.290 -0.185 0.068 0.514 70 E N -1.428 118.671 120.200 -0.169 0.000 2.281 70 E HA 0.393 4.725 4.350 -0.031 0.000 0.262 70 E C -1.630 174.835 176.600 -0.225 0.000 0.933 70 E CA -3.033 53.303 56.400 -0.107 0.000 0.809 70 E CB 2.841 32.528 29.700 -0.021 0.000 1.242 70 E HN -0.482 7.610 8.360 -0.165 0.169 0.418 71 W N 0.731 122.006 121.300 -0.040 0.000 2.316 71 W HA 0.210 4.991 4.660 -0.042 -0.146 0.308 71 W C 0.451 176.945 176.519 -0.042 0.000 1.106 71 W CA -0.140 57.175 57.345 -0.050 0.000 1.262 71 W CB 0.679 30.088 29.460 -0.084 0.000 1.233 71 W HN 0.318 8.652 8.180 0.257 0.000 0.447 72 V N -2.179 117.807 119.914 0.121 0.000 3.103 72 V HA 0.546 4.701 4.120 0.059 0.000 0.318 72 V C -1.640 174.499 176.094 0.075 0.000 1.114 72 V CA -3.005 59.334 62.300 0.064 0.000 1.020 72 V CB 4.183 36.012 31.823 0.010 0.000 1.085 72 V HN 0.947 9.079 8.190 0.079 0.106 0.446 73 A N 0.791 123.630 122.820 0.033 0.000 2.310 73 A HA 0.184 4.527 4.320 0.039 0.000 0.300 73 A C -0.682 176.919 177.584 0.028 0.000 1.269 73 A CA -0.958 51.093 52.037 0.022 0.000 0.909 73 A CB -0.498 18.492 19.000 -0.017 0.000 1.144 73 A HN 0.403 8.562 8.150 0.016 0.000 0.540 74 L N 5.008 126.261 121.223 0.050 0.000 2.017 74 L HA -0.280 4.080 4.340 0.034 0.000 0.208 74 L C 0.434 177.323 176.870 0.030 0.000 1.073 74 L CA 2.160 57.026 54.840 0.044 0.000 0.745 74 L CB 0.687 42.788 42.059 0.069 0.000 0.894 74 L HN 0.509 8.786 8.230 0.077 0.000 0.432 75 N N -2.611 116.106 118.700 0.029 0.000 2.706 75 N HA 0.346 5.095 4.740 0.014 0.000 0.240 75 N C -1.805 173.704 175.510 -0.002 0.000 1.039 75 N CA -2.065 50.994 53.050 0.016 0.000 0.888 75 N CB 0.930 39.430 38.487 0.022 0.000 1.128 75 N HN -0.436 7.968 8.380 0.040 0.000 0.512 76 P HA -0.026 4.375 4.420 -0.031 0.000 0.229 76 P C -0.641 176.647 177.300 -0.021 0.000 1.160 76 P CA 1.125 64.214 63.100 -0.019 0.000 0.777 76 P CB 0.228 31.919 31.700 -0.014 0.000 0.814 77 L N -3.583 117.633 121.223 -0.012 0.000 2.313 77 L HA -0.084 4.250 4.340 -0.010 0.000 0.214 77 L C 0.176 177.039 176.870 -0.011 0.000 1.119 77 L CA 0.035 54.870 54.840 -0.009 0.000 0.809 77 L CB -0.323 41.735 42.059 -0.002 0.000 0.933 77 L HN -0.510 7.653 8.230 -0.006 0.064 0.449 78 R N -0.566 119.925 120.500 -0.014 0.000 2.357 78 R HA 0.053 4.388 4.340 -0.009 0.000 0.296 78 R C -1.508 174.767 176.300 -0.043 0.000 1.052 78 R CA -1.215 54.875 56.100 -0.017 0.000 0.988 78 R CB 0.415 30.711 30.300 -0.006 0.000 1.025 78 R HN -0.693 7.400 8.270 -0.013 0.169 0.469 79 K N -3.089 117.287 120.400 -0.040 0.000 2.597 79 K HA 0.060 4.319 4.320 -0.101 0.000 0.282 79 K C -1.859 174.717 176.600 -0.040 0.000 0.975 79 K CA -1.057 55.191 56.287 -0.066 0.000 0.867 79 K CB 2.410 34.869 32.500 -0.069 0.000 1.465 79 K HN -0.048 8.189 8.250 -0.021 0.000 0.417 80 c N 2.539 121.104 118.600 -0.059 0.000 2.303 80 c HA 0.275 5.031 4.570 0.017 -0.176 0.341 80 c C 0.038 174.143 174.090 0.025 0.000 1.244 80 c CA -0.417 55.902 56.329 -0.017 0.000 1.765 80 c CB -1.976 40.508 42.510 -0.043 0.000 2.379 80 c HN 0.762 9.416 8.230 -0.105 -0.486 0.530 81 Q N 4.095 123.959 119.800 0.106 0.000 2.576 81 Q HA 0.305 4.781 4.340 0.227 0.000 0.249 81 Q C -0.784 175.374 176.000 0.264 0.000 1.041 81 Q CA -1.585 54.328 55.803 0.183 0.000 0.928 81 Q CB 3.028 31.821 28.738 0.092 0.000 1.302 81 Q HN 0.829 9.147 8.270 0.081 0.000 0.504 82 K N -0.160 120.353 120.400 0.189 0.000 2.469 82 K HA -0.084 4.101 4.320 -0.225 0.000 0.274 82 K C 0.440 177.020 176.600 -0.034 0.000 0.983 82 K CA 0.644 56.931 56.287 -0.001 0.000 0.974 82 K CB -0.145 32.368 32.500 0.021 0.000 0.913 82 K HN 0.288 8.644 8.250 0.177 0.000 0.493 83 R N 0.471 120.900 120.500 -0.118 0.000 2.428 83 R HA 0.498 4.816 4.340 -0.038 0.000 0.294 83 R C -2.000 174.267 176.300 -0.056 0.000 1.000 83 R CA -2.839 53.214 56.100 -0.079 0.000 0.960 83 R CB -0.316 29.913 30.300 -0.119 0.000 1.076 83 R HN -0.172 7.957 8.270 -0.235 0.000 0.475 84 P HA 0.391 5.077 4.420 0.035 -0.245 0.275 84 P C -1.022 176.254 177.300 -0.040 0.000 1.228 84 P CA -0.753 62.354 63.100 0.012 0.000 0.786 84 P CB 1.101 32.833 31.700 0.054 0.000 0.927 85 c N 0.589 119.161 118.600 -0.047 0.000 2.865 85 c HA 0.086 4.497 4.570 -0.265 0.000 0.280 85 c C 0.669 174.758 174.090 -0.002 0.000 1.255 85 c CA -0.457 55.738 56.329 -0.223 0.000 1.705 85 c CB 1.319 43.356 42.510 -0.788 0.000 2.080 85 c HN 0.459 8.608 8.230 0.066 0.121 0.591 86 G N 0.452 109.340 108.800 0.147 0.000 2.642 86 G HA2 -0.281 3.789 3.960 0.184 0.000 0.231 86 G HA3 -0.281 3.645 3.960 -0.056 0.000 0.231 86 G C -2.033 172.888 174.900 0.036 0.000 1.338 86 G CA -0.347 44.814 45.100 0.101 0.000 0.883 86 G HN -0.605 7.821 8.290 0.226 0.000 0.570 87 H N -0.600 118.449 119.070 -0.034 0.000 2.848 87 H HA 0.265 4.419 4.556 -0.670 0.000 0.317 87 H C -1.478 173.582 175.328 -0.447 0.000 1.046 87 H CA -2.232 53.628 56.048 -0.313 0.000 1.470 87 H CB 0.145 29.815 29.762 -0.153 0.000 1.483 87 H HN 0.178 8.270 8.280 -0.313 0.000 0.548 88 P HA 0.038 3.404 4.420 -1.758 0.000 0.249 88 P C -1.318 175.521 177.300 -0.768 0.000 1.229 88 P CA 0.011 62.228 63.100 -1.471 0.000 0.788 88 P CB 0.861 31.184 31.700 -2.295 0.000 1.072 89 G N -1.884 106.648 108.800 -0.446 0.000 3.445 89 G HA2 -0.263 3.576 3.960 -0.201 0.000 0.686 89 G HA3 -0.263 3.511 3.960 -0.310 0.000 0.686 89 G C -2.286 172.447 174.900 -0.277 0.000 1.113 89 G CA -0.802 44.119 45.100 -0.298 0.000 0.974 89 G HN -0.598 7.390 8.290 -0.365 0.083 0.492 90 D N 1.476 121.784 120.400 -0.153 0.000 2.478 90 D HA 0.413 5.106 4.640 0.089 0.000 0.263 90 D C -1.072 175.198 176.300 -0.049 0.000 1.153 90 D CA -0.993 53.003 54.000 -0.006 0.000 1.038 90 D CB 1.887 42.729 40.800 0.071 0.000 1.120 90 D HN -0.077 8.189 8.370 -0.173 0.000 0.564 91 T N -1.317 113.230 114.554 -0.011 0.000 2.932 91 T HA 0.211 4.477 4.350 -0.140 0.000 0.318 91 T C -1.665 173.003 174.700 -0.053 0.000 1.265 91 T CA -3.101 58.928 62.100 -0.119 0.000 1.036 91 T CB 1.439 70.150 68.868 -0.262 0.000 1.209 91 T HN -0.208 8.070 8.240 0.064 0.000 0.484 92 P HA 0.111 4.581 4.420 0.083 0.000 0.223 92 P C -1.061 176.363 177.300 0.206 0.000 1.151 92 P CA 0.733 63.910 63.100 0.128 0.000 0.787 92 P CB 0.330 32.156 31.700 0.209 0.000 0.788 93 F N -2.164 117.801 119.950 0.025 0.000 2.500 93 F HA 0.347 4.893 4.527 0.032 0.000 0.349 93 F C -1.815 174.019 175.800 0.058 0.000 1.127 93 F CA -1.589 56.424 58.000 0.023 0.000 0.998 93 F CB 0.277 39.259 39.000 -0.030 0.000 1.237 93 F HN -0.733 7.412 8.300 -0.189 0.041 0.439 94 G N 4.716 113.529 108.800 0.022 0.000 2.339 94 G HA2 -0.065 3.838 3.960 -0.096 0.000 0.381 94 G HA3 -0.065 3.850 3.960 -0.076 0.000 0.381 94 G C -1.919 172.865 174.900 -0.193 0.000 1.400 94 G CA 0.143 45.177 45.100 -0.110 0.000 1.002 94 G HN -0.097 8.232 8.290 0.065 0.000 0.633 95 T N -0.651 113.651 114.554 -0.421 0.000 2.841 95 T HA 0.522 4.718 4.350 -0.256 0.000 0.296 95 T C -2.211 172.298 174.700 -0.319 0.000 1.166 95 T CA -0.926 60.983 62.100 -0.319 0.000 1.007 95 T CB 3.359 72.080 68.868 -0.245 0.000 1.253 95 T HN 0.326 8.015 8.240 -0.753 0.099 0.511 96 F N -3.303 116.539 119.950 -0.180 0.000 2.668 96 F HA 0.928 5.508 4.527 -0.143 -0.139 0.309 96 F C -1.724 174.075 175.800 -0.002 0.000 1.117 96 F CA -1.828 56.122 58.000 -0.083 0.000 0.951 96 F CB 3.903 42.927 39.000 0.040 0.000 1.323 96 F HN 0.058 7.997 8.300 -0.603 0.000 0.451 97 T N -1.186 113.516 114.554 0.247 0.000 2.876 97 T HA 0.430 4.823 4.350 0.073 0.000 0.289 97 T C -1.199 173.661 174.700 0.266 0.000 1.014 97 T CA -1.585 60.611 62.100 0.160 0.000 0.986 97 T CB 2.718 71.623 68.868 0.062 0.000 1.021 97 T HN 0.847 9.153 8.240 0.300 0.115 0.458 98 L N 4.336 125.697 121.223 0.231 0.000 2.275 98 L HA 0.794 5.554 4.340 0.293 -0.245 0.288 98 L C 0.139 177.085 176.870 0.126 0.000 1.046 98 L CA -1.275 53.704 54.840 0.233 0.000 0.805 98 L CB 1.433 43.634 42.059 0.235 0.000 1.193 98 L HN 0.377 8.701 8.230 0.158 0.000 0.426 99 T N 2.490 117.111 114.554 0.110 0.000 2.797 99 T HA 0.295 4.671 4.350 0.044 0.000 0.279 99 T C 0.121 174.844 174.700 0.039 0.000 0.991 99 T CA -0.976 61.156 62.100 0.054 0.000 0.979 99 T CB 1.590 70.473 68.868 0.025 0.000 0.943 99 T HN 0.409 8.736 8.240 0.145 0.000 0.444 100 G N 6.964 115.777 108.800 0.021 0.000 2.238 100 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.217 100 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.217 100 G C -2.116 172.793 174.900 0.015 0.000 0.996 100 G CA 0.141 45.246 45.100 0.008 0.000 0.632 100 G HN 0.458 8.759 8.290 0.019 0.000 0.503 101 G N -2.045 106.771 108.800 0.026 0.000 2.342 101 G HA2 0.073 4.038 3.960 0.008 0.000 0.297 101 G HA3 0.073 4.042 3.960 0.015 0.000 0.297 101 G C -2.657 172.250 174.900 0.011 0.000 1.313 101 G CA -0.603 44.506 45.100 0.016 0.000 0.830 101 G HN -0.488 7.751 8.290 0.040 0.074 0.506 102 N N -1.531 117.156 118.700 -0.021 0.000 2.238 102 N HA 0.161 4.881 4.740 -0.033 0.000 0.235 102 N C -0.633 174.790 175.510 -0.144 0.000 1.209 102 N CA 0.119 53.136 53.050 -0.055 0.000 0.879 102 N CB 0.660 39.118 38.487 -0.048 0.000 1.136 102 N HN 0.014 8.380 8.380 -0.024 0.000 0.517 103 V N -6.953 112.868 119.914 -0.154 0.000 3.181 103 V HA 0.442 4.266 4.120 -0.493 0.000 0.308 103 V C -1.986 173.989 176.094 -0.199 0.000 1.214 103 V CA -1.982 60.155 62.300 -0.271 0.000 1.053 103 V CB 3.089 34.846 31.823 -0.110 0.000 1.069 103 V HN -0.531 7.546 8.190 -0.071 0.070 0.441 104 F N 1.211 121.256 119.950 0.157 0.000 2.451 104 F HA 0.336 4.991 4.527 0.214 0.000 0.356 104 F C -1.116 174.678 175.800 -0.010 0.000 1.178 104 F CA -1.182 56.916 58.000 0.163 0.000 1.210 104 F CB -1.515 37.675 39.000 0.317 0.000 1.504 104 F HN 0.364 8.561 8.300 -0.171 0.000 0.598 105 E N 2.220 122.464 120.200 0.073 0.000 2.369 105 E HA 0.579 5.101 4.350 -0.024 -0.187 0.270 105 E C -1.479 175.063 176.600 -0.097 0.000 0.909 105 E CA -3.027 53.363 56.400 -0.017 0.000 0.775 105 E CB 3.720 33.426 29.700 0.009 0.000 1.270 105 E HN -0.301 8.114 8.360 0.092 0.000 0.445 106 Y N 4.109 124.258 120.300 -0.253 0.000 2.852 106 Y HA -0.534 3.821 4.550 -0.325 0.000 0.343 106 Y C -0.264 175.505 175.900 -0.218 0.000 1.280 106 Y CA 3.249 61.169 58.100 -0.300 0.000 1.604 106 Y CB -0.583 37.630 38.460 -0.412 0.000 1.216 106 Y HN -0.027 8.249 8.280 -0.008 0.000 0.541 107 G N 5.562 114.045 108.800 -0.528 0.000 2.316 107 G HA2 -0.364 3.293 3.960 -0.504 0.000 0.203 107 G HA3 -0.364 3.427 3.960 -0.281 0.000 0.203 107 G C -1.149 173.643 174.900 -0.179 0.000 0.999 107 G CA -0.656 44.213 45.100 -0.386 0.000 0.649 107 G HN -0.132 7.824 8.290 -0.558 0.000 0.489 108 V N -0.700 119.150 119.914 -0.106 0.000 2.775 108 V HA 0.537 4.862 4.120 0.020 -0.193 0.299 108 V C -1.830 174.329 176.094 0.107 0.000 1.062 108 V CA -1.534 60.786 62.300 0.033 0.000 1.063 108 V CB 0.661 32.575 31.823 0.151 0.000 0.994 108 V HN -0.222 7.828 8.190 -0.145 0.053 0.483 109 K N 4.347 124.835 120.400 0.146 0.000 2.307 109 K HA 0.582 5.237 4.320 0.287 -0.163 0.263 109 K C -1.441 175.334 176.600 0.291 0.000 0.973 109 K CA -1.866 54.538 56.287 0.196 0.000 0.846 109 K CB 3.001 35.497 32.500 -0.008 0.000 1.100 109 K HN 0.451 8.765 8.250 0.107 0.000 0.438 110 A N 8.701 131.747 122.820 0.378 0.000 2.650 110 A HA 0.361 5.049 4.320 0.364 -0.149 0.320 110 A C -1.004 176.735 177.584 0.258 0.000 1.466 110 A CA -1.575 50.622 52.037 0.267 0.000 1.099 110 A CB 0.096 19.015 19.000 -0.134 0.000 1.136 110 A HN 1.284 9.611 8.150 0.484 0.114 0.532 111 V N 6.303 126.378 119.914 0.269 0.000 2.421 111 V HA -0.145 4.160 4.120 0.308 0.000 0.271 111 V C -0.628 175.637 176.094 0.285 0.000 1.031 111 V CA 0.023 62.475 62.300 0.254 0.000 1.032 111 V CB -0.734 31.183 31.823 0.156 0.000 1.009 111 V HN 0.779 9.123 8.190 0.257 0.000 0.477 112 Y N 11.155 131.549 120.300 0.157 0.000 2.359 112 Y HA -0.041 4.744 4.550 0.211 -0.108 0.330 112 Y C -0.628 175.340 175.900 0.113 0.000 1.143 112 Y CA 0.287 58.468 58.100 0.134 0.000 1.318 112 Y CB 1.456 39.943 38.460 0.045 0.000 1.234 112 Y HN 0.645 9.053 8.280 0.385 0.104 0.522 113 T N 6.540 120.853 114.554 -0.400 0.000 2.907 113 T HA 0.240 4.547 4.350 -0.071 0.000 0.290 113 T C -2.418 172.017 174.700 -0.442 0.000 1.066 113 T CA -1.622 60.325 62.100 -0.254 0.000 1.012 113 T CB 3.425 72.199 68.868 -0.157 0.000 1.184 113 T HN 1.008 8.670 8.240 -0.765 0.119 0.522 114 c N 0.353 118.863 118.600 -0.150 0.000 3.323 114 c HA 0.230 4.704 4.570 -0.161 0.000 0.324 114 c C -1.563 172.556 174.090 0.049 0.000 1.428 114 c CA -0.930 55.371 56.329 -0.048 0.000 1.368 114 c CB 2.953 45.550 42.510 0.144 0.000 1.731 114 c HN 0.375 8.572 8.230 -0.055 0.000 0.455 115 N N 2.084 120.876 118.700 0.152 0.000 2.381 115 N HA -0.051 4.732 4.740 0.071 0.000 0.241 115 N C 1.352 176.912 175.510 0.084 0.000 1.279 115 N CA 0.077 53.210 53.050 0.139 0.000 0.896 115 N CB 0.533 39.165 38.487 0.240 0.000 1.118 115 N HN 0.284 8.796 8.380 0.220 0.000 0.438 116 E N 1.428 121.635 120.200 0.012 0.000 2.097 116 E HA -0.312 4.036 4.350 -0.004 0.000 0.196 116 E C 1.330 177.881 176.600 -0.082 0.000 1.000 116 E CA 2.789 59.175 56.400 -0.025 0.000 0.804 116 E CB -0.274 29.404 29.700 -0.035 0.000 0.740 116 E HN 0.407 8.773 8.360 0.011 0.000 0.454 117 G N -4.168 104.508 108.800 -0.207 0.000 2.679 117 G HA2 -0.147 3.652 3.960 -0.268 0.000 0.212 117 G HA3 -0.147 3.437 3.960 -0.627 0.000 0.212 117 G C -0.941 173.647 174.900 -0.521 0.000 1.137 117 G CA 0.287 45.132 45.100 -0.426 0.000 0.787 117 G HN -0.038 8.127 8.290 -0.179 0.017 0.534 118 Y N -2.672 117.665 120.300 0.062 0.000 2.638 118 Y HA 0.211 4.805 4.550 0.073 0.000 0.339 118 Y C -1.959 173.993 175.900 0.087 0.000 1.084 118 Y CA -1.202 56.950 58.100 0.086 0.000 1.068 118 Y CB 1.983 40.526 38.460 0.139 0.000 1.294 118 Y HN -0.447 7.665 8.280 0.008 0.173 0.480 119 Q N -1.769 118.202 119.800 0.285 0.000 2.345 119 Q HA 0.185 4.640 4.340 0.192 0.000 0.176 119 Q C -1.264 174.876 176.000 0.233 0.000 0.723 119 Q CA -0.043 55.885 55.803 0.207 0.000 0.743 119 Q CB 2.324 31.145 28.738 0.140 0.000 1.260 119 Q HN 0.177 8.502 8.270 0.307 0.129 0.535 120 L N -8.785 112.539 121.223 0.169 0.000 2.992 120 L HA 0.511 5.139 4.340 0.111 -0.221 0.252 120 L C -1.654 175.246 176.870 0.050 0.000 0.983 120 L CA 0.181 55.089 54.840 0.113 0.000 1.005 120 L CB 1.843 43.973 42.059 0.117 0.000 1.506 120 L HN -0.392 7.923 8.230 0.141 0.000 0.414 121 L N 0.537 121.760 121.223 -0.000 0.000 2.307 121 L HA 0.248 4.590 4.340 0.004 0.000 0.282 121 L C 0.091 176.929 176.870 -0.053 0.000 1.051 121 L CA -0.415 54.415 54.840 -0.017 0.000 0.804 121 L CB 0.574 42.619 42.059 -0.022 0.000 1.197 121 L HN 0.505 8.611 8.230 -0.024 0.110 0.431 122 G N 1.835 110.610 108.800 -0.041 0.000 2.392 122 G HA2 -0.168 3.757 3.960 -0.059 0.000 0.677 122 G HA3 -0.168 3.736 3.960 -0.093 0.000 0.677 122 G C -1.171 173.703 174.900 -0.043 0.000 1.334 122 G CA -0.792 44.271 45.100 -0.061 0.000 0.961 122 G HN -0.348 7.929 8.290 -0.021 0.000 0.616 123 E N -0.382 119.786 120.200 -0.055 0.000 2.307 123 E HA -0.031 4.313 4.350 -0.010 0.000 0.195 123 E C -0.607 175.963 176.600 -0.050 0.000 0.975 123 E CA 0.232 56.612 56.400 -0.034 0.000 0.878 123 E CB 0.386 30.068 29.700 -0.030 0.000 0.845 123 E HN -0.088 8.228 8.360 -0.073 0.000 0.488 124 I N 1.800 122.294 120.570 -0.128 0.000 2.306 124 I HA 0.035 4.088 4.170 -0.194 0.000 0.288 124 I C -0.490 175.500 176.117 -0.213 0.000 1.036 124 I CA -1.157 59.987 61.300 -0.259 0.000 1.221 124 I CB -1.240 36.483 38.000 -0.461 0.000 1.385 124 I HN -0.394 7.735 8.210 -0.135 0.000 0.472 125 N N 7.937 126.614 118.700 -0.039 0.000 2.484 125 N HA -0.053 4.705 4.740 0.029 0.000 0.245 125 N C -1.612 174.026 175.510 0.212 0.000 1.184 125 N CA -0.660 52.444 53.050 0.091 0.000 0.884 125 N CB -0.671 37.918 38.487 0.170 0.000 1.182 125 N HN 0.577 8.986 8.380 0.048 0.000 0.493 126 Y N -5.489 114.831 120.300 0.033 0.000 2.779 126 Y HA 0.704 5.480 4.550 0.071 -0.184 0.340 126 Y C -2.198 173.699 175.900 -0.005 0.000 1.252 126 Y CA -0.939 57.187 58.100 0.044 0.000 1.072 126 Y CB 1.916 40.419 38.460 0.073 0.000 1.343 126 Y HN -0.672 7.349 8.280 -0.256 0.105 0.450 127 R N -2.244 118.436 120.500 0.300 0.000 2.574 127 R HA 0.357 4.779 4.340 0.138 0.000 0.288 127 R C -1.619 175.040 176.300 0.598 0.000 1.004 127 R CA -1.206 55.050 56.100 0.259 0.000 0.895 127 R CB 4.183 34.422 30.300 -0.100 0.000 1.191 127 R HN 0.105 8.509 8.270 0.397 0.104 0.444 128 E N 2.679 123.211 120.200 0.553 0.000 2.207 128 E HA 0.716 5.449 4.350 0.378 -0.156 0.270 128 E C -1.107 175.582 176.600 0.148 0.000 0.927 128 E CA -1.891 54.726 56.400 0.362 0.000 0.799 128 E CB 4.522 34.359 29.700 0.228 0.000 1.172 128 E HN 0.720 9.337 8.360 0.429 0.000 0.404 129 c N 3.136 121.622 118.600 -0.190 0.000 2.349 129 c HA 0.202 4.508 4.570 -0.659 -0.131 0.348 129 c C -0.136 173.756 174.090 -0.330 0.000 1.223 129 c CA 1.048 57.078 56.329 -0.498 0.000 1.746 129 c CB -1.828 40.287 42.510 -0.658 0.000 2.360 129 c HN 0.462 8.616 8.230 -0.127 0.000 0.533 130 D N 6.561 126.851 120.400 -0.184 0.000 2.567 130 D HA 0.237 4.801 4.640 -0.126 0.000 0.275 130 D C 1.035 177.436 176.300 0.168 0.000 1.195 130 D CA -0.145 53.835 54.000 -0.033 0.000 1.087 130 D CB 2.586 43.388 40.800 0.004 0.000 1.165 130 D HN 0.768 8.914 8.370 -0.194 0.108 0.609 131 T N -3.192 111.489 114.554 0.212 0.000 2.684 131 T HA -0.303 4.021 4.350 -0.044 0.000 0.267 131 T C 0.866 175.546 174.700 -0.034 0.000 1.036 131 T CA 3.621 65.757 62.100 0.060 0.000 1.148 131 T CB 0.042 68.920 68.868 0.017 0.000 0.863 131 T HN 0.138 8.485 8.240 0.178 0.000 0.436 132 D N 0.012 120.396 120.400 -0.027 0.000 2.501 132 D HA 0.168 4.770 4.640 -0.063 0.000 0.226 132 D C -0.504 175.753 176.300 -0.071 0.000 1.198 132 D CA -0.179 53.791 54.000 -0.049 0.000 0.830 132 D CB 1.409 42.191 40.800 -0.029 0.000 1.014 132 D HN -0.131 8.237 8.370 -0.003 0.000 0.496 133 G N -1.115 107.611 108.800 -0.122 0.000 2.270 133 G HA2 -0.109 3.633 3.960 -0.364 0.000 0.268 133 G HA3 -0.109 3.786 3.960 -0.109 0.000 0.268 133 G C -2.396 172.359 174.900 -0.241 0.000 1.312 133 G CA -0.609 44.361 45.100 -0.217 0.000 1.050 133 G HN -0.746 7.299 8.290 -0.105 0.182 0.474 134 W N -0.364 120.902 121.300 -0.058 0.000 2.251 134 W HA 0.570 5.438 4.660 -0.043 -0.234 0.329 134 W C 1.415 177.903 176.519 -0.051 0.000 1.234 134 W CA -0.756 56.552 57.345 -0.063 0.000 1.228 134 W CB 0.522 29.917 29.460 -0.109 0.000 1.135 134 W HN 0.112 8.355 8.180 0.104 0.000 0.576 135 T N -0.300 114.385 114.554 0.218 0.000 2.985 135 T HA -0.223 4.169 4.350 0.071 0.000 0.266 135 T C -0.158 174.569 174.700 0.045 0.000 1.076 135 T CA 1.187 63.350 62.100 0.105 0.000 1.135 135 T CB 0.364 69.297 68.868 0.108 0.000 0.890 135 T HN 0.487 8.902 8.240 0.291 0.000 0.480 136 N N -0.674 118.048 118.700 0.036 0.000 3.102 136 N HA 0.187 4.880 4.740 -0.078 0.000 0.299 136 N C -2.013 173.432 175.510 -0.108 0.000 1.482 136 N CA -0.961 52.042 53.050 -0.079 0.000 0.785 136 N CB 3.127 41.501 38.487 -0.187 0.000 1.680 136 N HN -0.652 7.765 8.380 0.125 0.037 0.594 137 D N -1.212 119.088 120.400 -0.165 0.000 2.570 137 D HA 0.065 4.596 4.640 -0.182 0.000 0.266 137 D C -0.346 175.783 176.300 -0.286 0.000 1.182 137 D CA -0.881 53.002 54.000 -0.194 0.000 1.088 137 D CB 1.179 41.889 40.800 -0.150 0.000 1.186 137 D HN -0.050 8.215 8.370 -0.174 0.000 0.618 138 I N -1.203 119.194 120.570 -0.289 0.000 2.291 138 I HA 0.080 3.978 4.170 -0.454 0.000 0.290 138 I C -1.972 173.895 176.117 -0.418 0.000 1.050 138 I CA -2.294 58.778 61.300 -0.379 0.000 1.245 138 I CB -0.021 37.789 38.000 -0.316 0.000 1.405 138 I HN 0.095 8.166 8.210 -0.231 0.000 0.478 139 P HA -0.008 4.208 4.420 -0.339 0.000 0.271 139 P C -1.232 175.735 177.300 -0.554 0.000 1.220 139 P CA -0.907 61.876 63.100 -0.528 0.000 0.768 139 P CB 0.523 31.878 31.700 -0.574 0.000 0.848 140 I N 2.993 123.391 120.570 -0.288 0.000 2.352 140 I HA 0.006 4.025 4.170 -0.252 0.000 0.290 140 I C -0.323 175.761 176.117 -0.055 0.000 1.036 140 I CA -2.421 58.775 61.300 -0.174 0.000 1.336 140 I CB -0.452 37.508 38.000 -0.068 0.000 1.407 140 I HN -0.051 8.029 8.210 -0.217 0.000 0.497 141 c N 9.654 128.258 118.600 0.007 0.000 2.667 141 c HA -0.089 4.781 4.570 0.199 -0.180 0.392 141 c C -0.594 173.521 174.090 0.041 0.000 1.332 141 c CA 0.971 57.372 56.329 0.121 0.000 1.594 141 c CB -2.132 40.457 42.510 0.133 0.000 2.345 141 c HN 0.574 8.723 8.230 -0.135 0.000 0.594 142 E N 0.000 120.282 120.200 0.137 0.000 2.725 142 E HA 0.000 4.504 4.350 0.256 0.000 0.291 142 E CA 0.000 56.514 56.400 0.189 0.000 0.976 142 E CB 0.000 29.761 29.700 0.102 0.000 0.812 142 E HN 0.000 8.549 8.360 0.166 -0.090 0.440