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 1l5i_1_A DATA FIRST_RESID 4 DATA SEQUENCE SGRFSIKAKN YFLTYPKCDL TKENALSQIT NLQTPTNKLF IKICRELHEN DATA SEQUENCE GEPHLHILIQ FEGKYNCTNQ RFFDLVSPTR SAHFHPNIQG AKSSSDVKSY DATA SEQUENCE IDKDGDVLEW GTFQIDGR 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 4 S HA 0.000 4.480 4.470 0.017 0.000 0.327 4 S C 0.000 174.613 174.600 0.022 0.000 1.055 4 S CA 0.000 58.212 58.200 0.019 0.000 1.107 4 S CB 0.000 63.209 63.200 0.015 0.000 0.593 5 G N 1.469 110.285 108.800 0.027 0.000 2.557 5 G HA2 0.721 4.694 3.960 0.022 0.000 0.302 5 G HA3 0.721 4.697 3.960 0.026 0.000 0.302 5 G C -1.627 173.301 174.900 0.047 0.000 1.311 5 G CA -0.363 44.755 45.100 0.029 0.000 1.030 5 G HN -0.034 8.274 8.290 0.029 0.000 0.509 6 R N -1.414 119.117 120.500 0.051 0.000 2.854 6 R HA 0.166 4.568 4.340 0.103 0.000 0.271 6 R C -1.735 174.634 176.300 0.115 0.000 0.994 6 R CA -0.523 55.630 56.100 0.088 0.000 0.945 6 R CB 2.265 32.608 30.300 0.072 0.000 1.194 6 R HN 0.006 8.296 8.270 0.033 0.000 0.476 7 F N 3.681 123.645 119.950 0.023 0.000 2.490 7 F HA -0.012 4.534 4.527 0.032 0.000 0.357 7 F C -1.368 174.448 175.800 0.027 0.000 1.166 7 F CA 0.039 58.058 58.000 0.032 0.000 1.116 7 F CB 0.192 39.219 39.000 0.045 0.000 1.171 7 F HN 0.213 8.706 8.300 0.322 0.000 0.576 8 S N 6.815 122.241 115.700 -0.456 0.000 2.774 8 S HA 0.223 4.404 4.470 -0.481 0.000 0.297 8 S C -1.339 172.988 174.600 -0.455 0.000 1.143 8 S CA -1.328 56.614 58.200 -0.429 0.000 1.090 8 S CB 1.699 64.791 63.200 -0.181 0.000 1.019 8 S HN -0.155 7.968 8.310 -0.311 0.000 0.482 9 I N 5.870 126.122 120.570 -0.530 0.000 2.412 9 I HA 0.112 4.136 4.170 -0.244 0.000 0.296 9 I C -1.242 174.794 176.117 -0.135 0.000 0.987 9 I CA -0.497 60.635 61.300 -0.279 0.000 1.180 9 I CB 2.476 40.374 38.000 -0.170 0.000 1.340 9 I HN -0.437 7.276 8.210 -0.631 0.119 0.455 10 K N 7.074 127.398 120.400 -0.128 0.000 2.579 10 K HA 0.614 5.094 4.320 -0.078 -0.207 0.250 10 K C -1.675 174.841 176.600 -0.139 0.000 0.952 10 K CA -0.872 55.352 56.287 -0.104 0.000 0.857 10 K CB 2.097 34.548 32.500 -0.082 0.000 1.123 10 K HN 0.395 8.563 8.250 -0.136 0.000 0.433 11 A N 3.354 126.056 122.820 -0.197 0.000 2.601 11 A HA 0.380 4.643 4.320 -0.095 0.000 0.291 11 A C -1.592 175.943 177.584 -0.082 0.000 1.075 11 A CA -0.506 51.408 52.037 -0.204 0.000 0.671 11 A CB 2.986 21.778 19.000 -0.346 0.000 1.277 11 A HN 0.428 8.488 8.150 -0.150 0.000 0.417 12 K N 0.023 120.443 120.400 0.034 0.000 2.314 12 K HA -0.069 4.420 4.320 0.283 0.000 0.198 12 K C -1.362 175.410 176.600 0.287 0.000 1.045 12 K CA 0.944 57.348 56.287 0.195 0.000 0.988 12 K CB 0.920 33.510 32.500 0.150 0.000 0.783 12 K HN 0.524 8.784 8.250 0.017 0.000 0.484 13 N N -2.734 116.045 118.700 0.132 0.000 2.362 13 N HA 0.503 5.536 4.740 0.253 -0.141 0.298 13 N C -1.188 174.347 175.510 0.042 0.000 1.048 13 N CA -0.888 52.261 53.050 0.165 0.000 0.858 13 N CB 2.848 41.455 38.487 0.201 0.000 1.218 13 N HN -0.470 7.900 8.380 0.020 0.023 0.488 14 Y N 1.125 121.543 120.300 0.197 0.000 2.442 14 Y HA 0.566 5.477 4.550 0.259 -0.206 0.344 14 Y C -1.918 173.932 175.900 -0.082 0.000 0.976 14 Y CA -1.240 56.980 58.100 0.200 0.000 1.040 14 Y CB 4.561 43.288 38.460 0.445 0.000 1.228 14 Y HN 0.267 8.702 8.280 0.258 0.000 0.451 15 F N 1.487 121.575 119.950 0.230 0.000 2.493 15 F HA 0.687 5.517 4.527 0.152 -0.213 0.329 15 F C -1.119 174.707 175.800 0.043 0.000 1.126 15 F CA -1.666 56.411 58.000 0.127 0.000 0.937 15 F CB 3.378 42.420 39.000 0.071 0.000 1.146 15 F HN 1.009 9.506 8.300 0.521 0.116 0.442 16 L N 3.569 124.891 121.223 0.166 0.000 2.317 16 L HA 0.714 5.159 4.340 -0.203 -0.227 0.281 16 L C -0.321 176.566 176.870 0.028 0.000 1.024 16 L CA -1.816 52.974 54.840 -0.083 0.000 0.810 16 L CB 0.766 42.707 42.059 -0.197 0.000 1.240 16 L HN 0.143 8.511 8.230 0.230 0.000 0.427 17 T N 4.434 118.842 114.554 -0.243 0.000 2.809 17 T HA 0.485 5.168 4.350 0.275 -0.167 0.284 17 T C -0.811 173.716 174.700 -0.289 0.000 0.992 17 T CA -1.272 60.801 62.100 -0.046 0.000 0.957 17 T CB 1.858 70.728 68.868 0.005 0.000 0.942 17 T HN -0.033 7.992 8.240 -0.359 0.000 0.439 18 Y N 4.903 125.285 120.300 0.137 0.000 2.464 18 Y HA 0.385 4.939 4.550 0.007 0.000 0.326 18 Y C -2.410 173.530 175.900 0.067 0.000 0.969 18 Y CA -2.880 55.245 58.100 0.041 0.000 1.270 18 Y CB 1.383 39.810 38.460 -0.056 0.000 1.103 18 Y HN 0.225 8.901 8.280 0.660 0.000 0.491 19 P HA 0.068 4.476 4.420 -0.019 0.000 0.280 19 P C -0.811 176.477 177.300 -0.021 0.000 1.244 19 P CA -0.443 62.666 63.100 0.016 0.000 0.784 19 P CB 1.244 32.949 31.700 0.008 0.000 0.913 20 K N -0.619 119.734 120.400 -0.079 0.000 3.213 20 K HA -0.427 4.005 4.320 -0.103 -0.174 0.266 20 K C -1.371 175.165 176.600 -0.107 0.000 0.911 20 K CA 0.993 57.234 56.287 -0.077 0.000 0.684 20 K CB -1.917 30.566 32.500 -0.027 0.000 1.402 20 K HN 0.233 8.439 8.250 -0.151 -0.047 0.465 21 C N -0.268 118.940 119.300 -0.153 0.000 2.264 21 C HA -0.004 4.204 4.460 -0.419 0.000 0.324 21 C C -0.849 173.959 174.990 -0.304 0.000 1.267 21 C CA -0.251 58.581 59.018 -0.310 0.000 1.618 21 C CB 0.748 28.326 27.740 -0.272 0.000 2.278 21 C HN 0.283 8.446 8.230 -0.124 -0.007 0.499 22 D N 6.895 127.100 120.400 -0.326 0.000 2.319 22 D HA 0.019 4.558 4.640 -0.170 0.000 0.230 22 D C -0.616 175.547 176.300 -0.227 0.000 1.094 22 D CA 0.619 54.494 54.000 -0.209 0.000 0.856 22 D CB 0.432 41.163 40.800 -0.116 0.000 0.915 22 D HN 0.282 8.416 8.370 -0.394 0.000 0.517 23 L N 0.695 121.704 121.223 -0.355 0.000 2.416 23 L HA -0.091 4.140 4.340 -0.182 0.000 0.272 23 L C 0.177 176.904 176.870 -0.239 0.000 1.161 23 L CA 0.322 54.986 54.840 -0.293 0.000 0.845 23 L CB 0.729 42.553 42.059 -0.392 0.000 1.119 23 L HN -0.795 7.043 8.230 -0.482 0.102 0.464 24 T N 3.923 118.379 114.554 -0.162 0.000 2.849 24 T HA 0.239 4.504 4.350 -0.142 0.000 0.284 24 T C 0.947 175.551 174.700 -0.159 0.000 1.004 24 T CA -1.757 60.260 62.100 -0.138 0.000 1.021 24 T CB 1.866 70.682 68.868 -0.086 0.000 1.013 24 T HN -0.163 8.213 8.240 -0.120 -0.208 0.527 25 K N 1.306 121.627 120.400 -0.132 0.000 2.217 25 K HA -0.229 3.990 4.320 -0.169 0.000 0.202 25 K C 2.039 178.576 176.600 -0.104 0.000 1.051 25 K CA 3.415 59.627 56.287 -0.126 0.000 0.952 25 K CB -0.385 32.062 32.500 -0.088 0.000 0.736 25 K HN 0.519 8.704 8.250 -0.108 0.000 0.453 26 E N 0.534 120.686 120.200 -0.080 0.000 2.047 26 E HA -0.294 4.023 4.350 -0.054 0.000 0.191 26 E C 2.070 178.626 176.600 -0.073 0.000 0.987 26 E CA 3.534 59.897 56.400 -0.062 0.000 0.799 26 E CB -0.217 29.459 29.700 -0.040 0.000 0.752 26 E HN 0.179 8.478 8.360 -0.075 0.016 0.449 27 N N -0.252 118.403 118.700 -0.076 0.000 2.142 27 N HA -0.395 4.312 4.740 -0.054 0.000 0.186 27 N C 2.110 177.564 175.510 -0.093 0.000 1.023 27 N CA 3.506 56.515 53.050 -0.068 0.000 0.852 27 N CB -0.262 38.195 38.487 -0.050 0.000 0.998 27 N HN -0.131 8.202 8.380 -0.078 0.000 0.424 28 A N 0.364 123.103 122.820 -0.135 0.000 1.969 28 A HA -0.127 4.117 4.320 -0.127 0.000 0.218 28 A C 1.956 179.453 177.584 -0.146 0.000 1.169 28 A CA 2.868 54.808 52.037 -0.160 0.000 0.635 28 A CB -0.599 18.233 19.000 -0.280 0.000 0.810 28 A HN 0.203 8.262 8.150 -0.152 0.000 0.445 29 L N -1.130 120.004 121.223 -0.148 0.000 2.056 29 L HA -0.235 3.974 4.340 -0.219 0.000 0.207 29 L C 1.900 178.639 176.870 -0.219 0.000 1.078 29 L CA 3.121 57.849 54.840 -0.186 0.000 0.749 29 L CB -1.214 40.763 42.059 -0.137 0.000 0.901 29 L HN 0.595 8.521 8.230 -0.132 0.225 0.433 30 S N 0.519 116.131 115.700 -0.146 0.000 2.355 30 S HA -0.308 4.077 4.470 -0.141 0.000 0.222 30 S C 2.447 176.968 174.600 -0.131 0.000 1.031 30 S CA 3.847 61.972 58.200 -0.125 0.000 0.993 30 S CB -0.424 62.733 63.200 -0.072 0.000 0.859 30 S HN 0.444 8.500 8.310 -0.114 0.186 0.453 31 Q N 1.307 121.038 119.800 -0.115 0.000 2.046 31 Q HA -0.320 3.966 4.340 -0.091 0.000 0.200 31 Q C 2.685 178.597 176.000 -0.147 0.000 0.975 31 Q CA 3.089 58.828 55.803 -0.107 0.000 0.836 31 Q CB 0.174 28.865 28.738 -0.078 0.000 0.896 31 Q HN 0.157 8.248 8.270 -0.105 0.116 0.428 32 I N -1.568 118.903 120.570 -0.165 0.000 2.179 32 I HA -0.328 3.715 4.170 -0.211 0.000 0.242 32 I C 2.499 178.457 176.117 -0.265 0.000 1.088 32 I CA 3.139 64.324 61.300 -0.193 0.000 1.357 32 I CB -0.841 37.080 38.000 -0.133 0.000 1.051 32 I HN 0.580 8.568 8.210 -0.151 0.132 0.409 33 T N 1.484 115.819 114.554 -0.366 0.000 2.788 33 T HA -0.239 3.697 4.350 -0.691 0.000 0.268 33 T C 0.858 175.400 174.700 -0.263 0.000 1.044 33 T CA 4.232 66.026 62.100 -0.511 0.000 1.139 33 T CB 0.006 68.477 68.868 -0.661 0.000 0.867 33 T HN 0.333 8.237 8.240 -0.343 0.130 0.454 34 N N -2.091 116.508 118.700 -0.168 0.000 2.463 34 N HA -0.068 4.630 4.740 -0.069 0.000 0.181 34 N C -0.962 174.522 175.510 -0.042 0.000 1.078 34 N CA 0.672 53.672 53.050 -0.084 0.000 0.902 34 N CB 0.395 38.843 38.487 -0.065 0.000 0.970 34 N HN -0.154 7.913 8.380 -0.175 0.207 0.451 35 L N 0.758 121.950 121.223 -0.053 0.000 2.433 35 L HA -0.000 4.415 4.340 0.125 0.000 0.275 35 L C -0.610 176.386 176.870 0.210 0.000 1.128 35 L CA -0.424 54.471 54.840 0.093 0.000 0.875 35 L CB -0.547 41.401 42.059 -0.185 0.000 1.171 35 L HN -0.803 7.220 8.230 -0.124 0.134 0.463 36 Q N 4.443 124.341 119.800 0.163 0.000 2.382 36 Q HA 0.028 4.358 4.340 -0.016 0.000 0.229 36 Q C -0.943 174.858 176.000 -0.332 0.000 1.006 36 Q CA 0.075 55.852 55.803 -0.042 0.000 0.916 36 Q CB 1.262 29.951 28.738 -0.082 0.000 1.235 36 Q HN -0.039 8.331 8.270 0.167 0.000 0.512 37 T N -0.929 113.419 114.554 -0.344 0.000 2.868 37 T HA 0.289 4.038 4.350 -1.001 0.000 0.306 37 T C -1.589 172.885 174.700 -0.377 0.000 1.224 37 T CA -3.173 58.557 62.100 -0.616 0.000 1.012 37 T CB 1.744 70.278 68.868 -0.556 0.000 1.221 37 T HN -0.086 8.039 8.240 -0.191 0.000 0.499 38 P HA 0.259 4.590 4.420 -0.148 0.000 0.241 38 P C -0.687 176.547 177.300 -0.110 0.000 1.191 38 P CA 0.874 63.869 63.100 -0.176 0.000 0.771 38 P CB 0.561 32.204 31.700 -0.095 0.000 0.929 39 T N 1.294 115.761 114.554 -0.146 0.000 2.435 39 T HA 0.023 4.372 4.350 -0.001 0.000 0.177 39 T C -1.179 173.551 174.700 0.050 0.000 0.716 39 T CA -0.569 61.517 62.100 -0.023 0.000 1.523 39 T CB 1.014 69.880 68.868 -0.004 0.000 2.878 39 T HN 0.017 8.022 8.240 -0.290 0.061 0.405 40 N N 0.370 119.182 118.700 0.186 0.000 2.647 40 N HA -0.021 4.798 4.740 0.130 0.000 0.259 40 N C -2.481 173.197 175.510 0.280 0.000 1.098 40 N CA 0.405 53.568 53.050 0.188 0.000 0.984 40 N CB 1.835 40.395 38.487 0.121 0.000 1.683 40 N HN 0.166 8.740 8.380 0.323 0.000 0.501 41 K N 3.379 123.875 120.400 0.161 0.000 2.248 41 K HA -0.077 4.101 4.320 -0.237 0.000 0.281 41 K C -1.128 175.543 176.600 0.118 0.000 1.054 41 K CA 0.597 56.889 56.287 0.007 0.000 0.903 41 K CB 0.185 32.653 32.500 -0.054 0.000 1.077 41 K HN 0.235 8.570 8.250 0.142 0.000 0.474 42 L N 4.005 125.251 121.223 0.040 0.000 2.496 42 L HA 0.258 4.668 4.340 0.116 0.000 0.189 42 L C -0.536 176.489 176.870 0.260 0.000 1.308 42 L CA 0.770 55.668 54.840 0.097 0.000 0.912 42 L CB 1.869 43.904 42.059 -0.041 0.000 1.148 42 L HN 0.055 8.214 8.230 -0.118 0.000 0.537 43 F N -2.792 117.169 119.950 0.017 0.000 2.440 43 F HA 0.379 5.148 4.527 0.240 -0.098 0.328 43 F C -1.516 174.410 175.800 0.210 0.000 1.070 43 F CA -1.398 56.706 58.000 0.175 0.000 1.011 43 F CB 3.394 42.528 39.000 0.223 0.000 1.226 43 F HN -0.883 7.481 8.300 0.107 0.000 0.491 44 I N 2.883 123.156 120.570 -0.494 0.000 2.548 44 I HA 0.258 4.432 4.170 -0.200 -0.124 0.287 44 I C -2.583 173.193 176.117 -0.569 0.000 1.103 44 I CA -0.681 60.413 61.300 -0.342 0.000 1.049 44 I CB 3.754 41.642 38.000 -0.187 0.000 1.232 44 I HN 1.065 8.535 8.210 -1.097 0.082 0.429 45 K N 8.174 128.423 120.400 -0.250 0.000 2.450 45 K HA 0.650 5.007 4.320 -0.183 -0.147 0.257 45 K C -1.998 174.620 176.600 0.030 0.000 0.953 45 K CA -1.381 54.853 56.287 -0.089 0.000 0.844 45 K CB 2.864 35.452 32.500 0.146 0.000 1.103 45 K HN 0.897 8.981 8.250 -0.096 0.108 0.429 46 I N 8.035 128.608 120.570 0.006 0.000 2.382 46 I HA 0.424 4.791 4.170 0.084 -0.147 0.286 46 I C -1.782 174.362 176.117 0.046 0.000 1.002 46 I CA -0.984 60.335 61.300 0.030 0.000 1.135 46 I CB 2.968 40.947 38.000 -0.036 0.000 1.288 46 I HN 0.314 8.507 8.210 -0.028 0.000 0.448 47 C N 7.223 126.589 119.300 0.110 0.000 2.498 47 C HA 0.399 4.888 4.460 0.048 0.000 0.316 47 C C -2.067 172.962 174.990 0.065 0.000 1.209 47 C CA -2.339 56.739 59.018 0.101 0.000 1.518 47 C CB 3.279 31.120 27.740 0.169 0.000 2.147 47 C HN 0.783 9.121 8.230 0.179 0.000 0.483 48 R N 6.640 127.143 120.500 0.005 0.000 2.428 48 R HA 0.123 4.382 4.340 -0.135 0.000 0.294 48 R C -1.875 174.410 176.300 -0.025 0.000 1.000 48 R CA -0.590 55.471 56.100 -0.065 0.000 0.960 48 R CB 1.898 32.152 30.300 -0.078 0.000 1.076 48 R HN 0.708 8.983 8.270 0.009 0.000 0.475 49 E N 5.534 125.681 120.200 -0.089 0.000 2.304 49 E HA 0.178 4.566 4.350 0.063 0.000 0.277 49 E C -2.805 173.815 176.600 0.033 0.000 0.898 49 E CA -1.495 54.929 56.400 0.040 0.000 0.764 49 E CB 3.491 33.307 29.700 0.195 0.000 1.216 49 E HN 0.714 8.824 8.360 -0.235 0.110 0.419 50 L N 4.492 125.756 121.223 0.069 0.000 2.307 50 L HA 0.163 4.545 4.340 -0.059 -0.077 0.282 50 L C -0.041 176.933 176.870 0.173 0.000 1.051 50 L CA -0.950 53.914 54.840 0.039 0.000 0.804 50 L CB 1.026 43.095 42.059 0.018 0.000 1.197 50 L HN 0.438 8.716 8.230 0.080 0.000 0.431 51 H N 2.211 121.317 119.070 0.060 0.000 2.547 51 H HA 0.100 4.678 4.556 0.036 0.000 0.362 51 H C 1.584 176.922 175.328 0.017 0.000 1.181 51 H CA -1.207 54.858 56.048 0.029 0.000 1.376 51 H CB 1.594 31.352 29.762 -0.005 0.000 1.488 51 H HN 0.475 8.736 8.280 -0.032 0.000 0.583 52 E N 3.070 123.350 120.200 0.133 0.000 2.472 52 E HA -0.216 4.174 4.350 0.066 0.000 0.200 52 E C -0.221 176.414 176.600 0.058 0.000 1.046 52 E CA 2.672 59.113 56.400 0.068 0.000 0.871 52 E CB -0.189 29.531 29.700 0.033 0.000 0.806 52 E HN 0.562 8.982 8.360 0.100 0.000 0.533 53 N N -2.351 116.398 118.700 0.082 0.000 2.461 53 N HA -0.015 4.746 4.740 0.036 0.000 0.188 53 N C 0.103 175.642 175.510 0.048 0.000 1.134 53 N CA 0.035 53.120 53.050 0.057 0.000 0.878 53 N CB -0.199 38.328 38.487 0.067 0.000 0.972 53 N HN -0.342 8.049 8.380 0.136 0.071 0.456 54 G N -2.098 106.734 108.800 0.053 0.000 2.159 54 G HA2 -0.402 3.575 3.960 0.028 0.000 0.256 54 G HA3 -0.402 3.571 3.960 0.022 0.000 0.256 54 G C -1.336 173.573 174.900 0.015 0.000 0.977 54 G CA 0.363 45.480 45.100 0.030 0.000 0.652 54 G HN -0.062 8.091 8.290 0.072 0.180 0.531 55 E N -1.052 119.160 120.200 0.020 0.000 2.197 55 E HA 0.438 4.772 4.350 -0.027 0.000 0.281 55 E C -2.513 174.021 176.600 -0.109 0.000 0.995 55 E CA -3.730 52.653 56.400 -0.028 0.000 0.808 55 E CB 0.321 30.016 29.700 -0.007 0.000 1.093 55 E HN -0.116 8.225 8.360 0.061 0.056 0.394 56 P HA 0.028 4.369 4.420 -0.131 0.000 0.282 56 P C -2.320 174.858 177.300 -0.204 0.000 1.274 56 P CA -0.068 62.947 63.100 -0.142 0.000 0.770 56 P CB 0.280 31.914 31.700 -0.110 0.000 0.867 57 H N 5.384 124.216 119.070 -0.398 0.000 2.621 57 H HA 0.828 5.383 4.556 -0.348 -0.208 0.360 57 H C -1.769 173.443 175.328 -0.192 0.000 1.163 57 H CA -2.575 53.215 56.048 -0.429 0.000 1.194 57 H CB 4.427 33.624 29.762 -0.942 0.000 1.649 57 H HN 0.518 8.580 8.280 -0.208 0.094 0.532 58 L N 2.051 122.888 121.223 -0.643 0.000 2.381 58 L HA 0.289 4.354 4.340 -0.459 0.000 0.268 58 L C -2.529 174.057 176.870 -0.474 0.000 0.997 58 L CA -1.332 53.205 54.840 -0.504 0.000 0.818 58 L CB 3.735 45.573 42.059 -0.368 0.000 1.310 58 L HN -0.037 8.086 8.230 -0.178 0.000 0.416 59 H N 4.878 123.822 119.070 -0.211 0.000 2.572 59 H HA 0.763 5.593 4.556 0.214 -0.145 0.359 59 H C -0.983 174.452 175.328 0.179 0.000 1.134 59 H CA -1.805 54.291 56.048 0.081 0.000 1.187 59 H CB 4.004 33.842 29.762 0.127 0.000 1.597 59 H HN 0.895 9.031 8.280 -0.069 0.103 0.524 60 I N 2.270 123.125 120.570 0.475 0.000 2.619 60 I HA 0.552 5.020 4.170 0.215 -0.169 0.292 60 I C -2.251 173.966 176.117 0.167 0.000 1.100 60 I CA -1.054 60.415 61.300 0.283 0.000 1.043 60 I CB 4.337 42.507 38.000 0.282 0.000 1.239 60 I HN 0.060 8.652 8.210 0.638 0.000 0.420 61 L N 7.174 128.427 121.223 0.050 0.000 2.446 61 L HA 0.738 4.893 4.340 -0.605 -0.178 0.268 61 L C -2.370 174.455 176.870 -0.075 0.000 0.975 61 L CA -0.975 53.723 54.840 -0.237 0.000 0.848 61 L CB 2.861 44.836 42.059 -0.140 0.000 1.225 61 L HN 0.978 9.160 8.230 0.095 0.105 0.410 62 I N 5.917 126.431 120.570 -0.094 0.000 2.693 62 I HA 0.477 4.764 4.170 -0.046 -0.145 0.303 62 I C -2.077 174.004 176.117 -0.060 0.000 1.025 62 I CA -1.564 59.687 61.300 -0.082 0.000 1.086 62 I CB 3.891 41.797 38.000 -0.157 0.000 1.268 62 I HN 0.496 8.631 8.210 -0.125 0.000 0.440 63 Q N 1.044 120.755 119.800 -0.149 0.000 2.275 63 Q HA 0.727 5.302 4.340 0.103 -0.173 0.266 63 Q C -0.949 174.920 176.000 -0.218 0.000 1.002 63 Q CA -1.706 54.045 55.803 -0.088 0.000 0.761 63 Q CB 2.263 30.920 28.738 -0.135 0.000 1.255 63 Q HN 0.042 8.209 8.270 -0.172 0.000 0.446 64 F N 3.796 123.810 119.950 0.106 0.000 2.378 64 F HA 0.450 5.158 4.527 0.064 -0.143 0.325 64 F C 0.427 176.245 175.800 0.030 0.000 1.097 64 F CA -0.541 57.508 58.000 0.081 0.000 1.079 64 F CB 1.160 40.245 39.000 0.141 0.000 1.240 64 F HN -0.041 8.622 8.300 0.605 0.000 0.519 65 E N 0.601 120.918 120.200 0.196 0.000 2.153 65 E HA -0.225 4.151 4.350 0.043 0.000 0.194 65 E C 0.278 176.948 176.600 0.117 0.000 0.988 65 E CA 2.313 58.774 56.400 0.102 0.000 0.811 65 E CB 0.837 30.584 29.700 0.078 0.000 0.746 65 E HN -0.011 8.478 8.360 0.215 0.000 0.466 66 G N -2.345 106.553 108.800 0.165 0.000 2.533 66 G HA2 0.205 4.226 3.960 0.101 0.000 0.304 66 G HA3 0.205 4.224 3.960 0.097 0.000 0.304 66 G C -2.239 172.758 174.900 0.162 0.000 1.263 66 G CA -0.889 44.287 45.100 0.127 0.000 0.964 66 G HN -0.761 7.651 8.290 0.222 0.011 0.479 67 K N 0.481 120.952 120.400 0.118 0.000 2.430 67 K HA -0.315 4.210 4.320 0.151 -0.114 0.280 67 K C -1.071 175.609 176.600 0.133 0.000 1.063 67 K CA 0.985 57.342 56.287 0.116 0.000 1.071 67 K CB 0.113 32.648 32.500 0.058 0.000 0.899 67 K HN 0.049 8.351 8.250 0.087 0.000 0.473 68 Y N 6.560 126.861 120.300 0.002 0.000 2.334 68 Y HA 0.054 4.505 4.550 -0.166 0.000 0.328 68 Y C -1.936 174.025 175.900 0.102 0.000 1.130 68 Y CA -1.674 56.363 58.100 -0.104 0.000 1.163 68 Y CB 2.622 40.758 38.460 -0.542 0.000 1.207 68 Y HN 0.189 8.651 8.280 0.303 0.000 0.471 69 N N 6.311 124.819 118.700 -0.320 0.000 2.462 69 N HA 0.289 5.058 4.740 -0.257 -0.184 0.242 69 N C -0.503 174.494 175.510 -0.855 0.000 1.010 69 N CA -0.328 52.475 53.050 -0.412 0.000 0.939 69 N CB 1.219 39.604 38.487 -0.171 0.000 1.127 69 N HN 0.303 8.713 8.380 0.050 0.000 0.509 70 C N 8.869 127.743 119.300 -0.710 0.000 2.478 70 C HA 0.183 4.283 4.460 -0.601 0.000 0.471 70 C C 0.067 174.968 174.990 -0.148 0.000 1.146 70 C CA -1.364 57.346 59.018 -0.514 0.000 1.532 70 C CB -2.205 25.243 27.740 -0.486 0.000 1.622 70 C HN 0.873 8.834 8.230 -0.277 0.104 0.568 71 T N 5.064 119.550 114.554 -0.114 0.000 3.287 71 T HA 0.038 4.331 4.350 -0.343 -0.149 0.253 71 T C -1.538 173.342 174.700 0.300 0.000 0.975 71 T CA -0.169 61.909 62.100 -0.037 0.000 0.912 71 T CB -0.761 68.058 68.868 -0.083 0.000 1.071 71 T HN -0.483 7.627 8.240 -0.143 0.044 0.578 72 N N 0.143 119.112 118.700 0.447 0.000 2.648 72 N HA 0.081 4.997 4.740 0.293 0.000 0.272 72 N C -1.110 174.582 175.510 0.304 0.000 1.118 72 N CA -0.104 53.136 53.050 0.317 0.000 0.973 72 N CB 1.582 40.174 38.487 0.175 0.000 1.565 72 N HN -0.678 7.904 8.380 0.495 0.095 0.542 73 Q N 2.899 122.736 119.800 0.061 0.000 2.294 73 Q HA 0.091 4.552 4.340 0.202 0.000 0.256 73 Q C -1.200 174.763 176.000 -0.061 0.000 0.907 73 Q CA 0.781 56.565 55.803 -0.033 0.000 0.954 73 Q CB -1.480 27.044 28.738 -0.355 0.000 1.102 73 Q HN 0.311 8.536 8.270 -0.075 0.000 0.429 74 R N -3.044 117.495 120.500 0.065 0.000 2.394 74 R HA 0.094 4.835 4.340 -0.021 -0.414 0.220 74 R C 0.566 176.935 176.300 0.115 0.000 0.887 74 R CA 0.420 56.547 56.100 0.044 0.000 1.034 74 R CB 0.495 30.815 30.300 0.033 0.000 1.179 74 R HN -0.724 7.532 8.270 0.148 0.103 0.561 75 F N 2.387 122.336 119.950 -0.003 0.000 2.234 75 F HA -0.167 4.298 4.527 -0.103 0.000 0.296 75 F C -0.310 175.398 175.800 -0.153 0.000 1.089 75 F CA 1.340 59.271 58.000 -0.114 0.000 1.343 75 F CB 0.413 39.299 39.000 -0.190 0.000 1.040 75 F HN -0.941 7.551 8.300 0.321 0.000 0.498 76 F N -3.762 116.045 119.950 -0.238 0.000 2.731 76 F HA -0.075 4.101 4.527 -0.586 0.000 0.304 76 F C -1.016 174.739 175.800 -0.076 0.000 1.133 76 F CA 0.264 58.083 58.000 -0.303 0.000 1.380 76 F CB -0.110 38.815 39.000 -0.125 0.000 1.079 76 F HN -0.223 8.199 8.300 0.203 0.000 0.550 77 D N 0.998 121.441 120.400 0.071 0.000 2.349 77 D HA -0.125 4.606 4.640 0.151 0.000 0.266 77 D C -0.610 175.711 176.300 0.036 0.000 1.293 77 D CA 1.171 55.214 54.000 0.072 0.000 0.926 77 D CB -0.297 40.504 40.800 0.003 0.000 1.090 77 D HN -0.863 7.315 8.370 0.018 0.202 0.502 78 L N 5.376 126.692 121.223 0.155 0.000 2.317 78 L HA 0.179 4.707 4.340 0.033 -0.168 0.281 78 L C -1.017 175.935 176.870 0.136 0.000 1.024 78 L CA -0.617 54.315 54.840 0.153 0.000 0.810 78 L CB 2.437 44.655 42.059 0.266 0.000 1.240 78 L HN -0.146 8.247 8.230 0.272 0.000 0.427 79 V N 0.063 119.950 119.914 -0.045 0.000 3.046 79 V HA 0.515 4.404 4.120 -0.501 -0.070 0.316 79 V C -1.070 175.049 176.094 0.042 0.000 1.104 79 V CA -3.322 58.831 62.300 -0.244 0.000 1.006 79 V CB 3.367 34.813 31.823 -0.629 0.000 1.058 79 V HN -0.275 8.053 8.190 -0.058 -0.173 0.440 80 S N 0.912 116.629 115.700 0.029 0.000 2.439 80 S HA 0.407 5.057 4.470 0.300 0.000 0.282 80 S C -0.427 174.221 174.600 0.079 0.000 1.170 80 S CA -3.472 54.852 58.200 0.208 0.000 1.054 80 S CB 0.504 63.882 63.200 0.295 0.000 0.956 80 S HN 0.365 8.521 8.310 -0.256 0.000 0.490 81 P HA 0.120 4.554 4.420 0.023 0.000 0.245 81 P C -0.656 176.664 177.300 0.034 0.000 1.212 81 P CA 1.243 64.362 63.100 0.032 0.000 0.774 81 P CB 0.159 31.870 31.700 0.017 0.000 0.999 82 T N -5.508 109.076 114.554 0.050 0.000 2.969 82 T HA 0.061 4.429 4.350 0.029 0.000 0.250 82 T C -0.293 174.434 174.700 0.046 0.000 1.021 82 T CA -0.296 61.828 62.100 0.041 0.000 1.003 82 T CB 1.399 70.291 68.868 0.040 0.000 1.040 82 T HN -0.464 7.747 8.240 0.073 0.072 0.492 83 R N 1.297 121.835 120.500 0.062 0.000 2.686 83 R HA 0.166 4.528 4.340 0.038 0.000 0.283 83 R C -0.913 175.406 176.300 0.032 0.000 0.978 83 R CA -1.046 55.086 56.100 0.053 0.000 0.897 83 R CB 2.591 32.941 30.300 0.083 0.000 1.192 83 R HN -0.723 7.476 8.270 0.080 0.119 0.457 84 S N 4.815 120.520 115.700 0.009 0.000 3.864 84 S HA -0.095 4.385 4.470 0.016 0.000 0.202 84 S C -1.750 172.810 174.600 -0.067 0.000 1.402 84 S CA 0.499 58.689 58.200 -0.017 0.000 1.072 84 S CB -0.966 62.214 63.200 -0.035 0.000 1.383 84 S HN 0.453 8.767 8.310 0.008 0.000 0.458 85 A N 2.121 124.895 122.820 -0.077 0.000 2.371 85 A HA 0.451 4.656 4.320 -0.192 0.000 0.311 85 A C -2.363 174.946 177.584 -0.459 0.000 1.068 85 A CA -0.900 51.005 52.037 -0.221 0.000 0.744 85 A CB 3.134 22.053 19.000 -0.136 0.000 1.239 85 A HN 0.085 8.128 8.150 -0.048 0.078 0.435 86 H N 1.449 120.143 119.070 -0.626 0.000 2.499 86 H HA 0.165 4.272 4.556 -0.748 0.000 0.340 86 H C -1.194 173.748 175.328 -0.642 0.000 1.148 86 H CA -1.540 54.131 56.048 -0.628 0.000 1.215 86 H CB 2.934 32.550 29.762 -0.244 0.000 1.529 86 H HN 0.260 8.401 8.280 -0.231 0.000 0.510 87 F N 0.979 121.036 119.950 0.180 0.000 2.540 87 F HA 0.222 4.845 4.527 0.159 0.000 0.317 87 F C -1.383 174.539 175.800 0.203 0.000 1.104 87 F CA -1.623 56.480 58.000 0.172 0.000 0.913 87 F CB 2.695 41.799 39.000 0.174 0.000 1.170 87 F HN 0.891 9.003 8.300 -0.137 0.106 0.450 88 H N 4.855 124.057 119.070 0.220 0.000 2.661 88 H HA 0.392 5.009 4.556 0.101 0.000 0.290 88 H C -1.849 173.490 175.328 0.019 0.000 1.082 88 H CA -4.415 51.692 56.048 0.098 0.000 1.234 88 H CB 0.369 30.159 29.762 0.047 0.000 1.387 88 H HN 0.316 8.811 8.280 0.359 0.000 0.476 89 P HA 0.104 4.381 4.420 -0.445 -0.124 0.276 89 P C -1.500 175.632 177.300 -0.280 0.000 1.244 89 P CA -0.968 61.927 63.100 -0.343 0.000 0.801 89 P CB 1.190 32.449 31.700 -0.737 0.000 1.006 90 N N 1.014 119.506 118.700 -0.347 0.000 2.422 90 N HA 0.189 4.822 4.740 -0.178 0.000 0.266 90 N C -0.783 174.666 175.510 -0.102 0.000 1.007 90 N CA -0.665 52.267 53.050 -0.197 0.000 0.941 90 N CB 1.414 39.800 38.487 -0.167 0.000 1.115 90 N HN -0.107 8.026 8.380 -0.411 0.000 0.492 91 I N 4.193 124.777 120.570 0.023 0.000 2.441 91 I HA 0.026 4.283 4.170 -0.070 -0.130 0.287 91 I C -0.172 176.095 176.117 0.251 0.000 1.049 91 I CA 0.284 61.645 61.300 0.102 0.000 1.381 91 I CB 0.394 38.527 38.000 0.222 0.000 1.409 91 I HN 0.435 8.697 8.210 0.087 0.000 0.523 92 Q N 6.483 126.453 119.800 0.283 0.000 2.305 92 Q HA 0.282 4.749 4.340 0.211 0.000 0.271 92 Q C -1.065 175.086 176.000 0.251 0.000 1.046 92 Q CA -1.373 54.576 55.803 0.243 0.000 0.798 92 Q CB 4.911 33.751 28.738 0.171 0.000 1.286 92 Q HN 0.131 8.583 8.270 0.304 0.000 0.435 93 G N 0.520 109.373 108.800 0.087 0.000 2.320 93 G HA2 0.319 4.320 3.960 -0.253 0.000 0.300 93 G HA3 0.319 4.173 3.960 -0.176 0.000 0.300 93 G C -1.898 173.019 174.900 0.029 0.000 1.126 93 G CA -0.914 44.136 45.100 -0.083 0.000 0.896 93 G HN 0.397 8.733 8.290 0.077 0.000 0.436 94 A N 5.666 128.561 122.820 0.125 0.000 2.395 94 A HA 0.002 4.372 4.320 0.085 0.000 0.286 94 A C -0.463 177.164 177.584 0.070 0.000 1.193 94 A CA -0.242 51.894 52.037 0.164 0.000 0.852 94 A CB 0.310 19.572 19.000 0.437 0.000 1.118 94 A HN -0.182 8.047 8.150 0.132 0.000 0.524 95 K N 2.950 123.366 120.400 0.027 0.000 2.504 95 K HA -0.225 4.099 4.320 0.007 0.000 0.195 95 K C -0.766 175.854 176.600 0.033 0.000 1.036 95 K CA 1.100 57.396 56.287 0.014 0.000 0.984 95 K CB 0.105 32.603 32.500 -0.004 0.000 0.788 95 K HN 0.451 8.705 8.250 0.006 0.000 0.488 96 S N -1.993 113.742 115.700 0.058 0.000 2.738 96 S HA 0.112 4.612 4.470 0.050 0.000 0.284 96 S C -1.215 173.450 174.600 0.110 0.000 1.146 96 S CA -0.349 57.894 58.200 0.071 0.000 0.997 96 S CB 1.776 65.015 63.200 0.065 0.000 1.081 96 S HN -0.530 7.750 8.310 0.071 0.072 0.553 97 S N -0.552 115.214 115.700 0.110 0.000 3.526 97 S HA 0.141 4.714 4.470 0.173 0.000 0.222 97 S C 1.825 176.520 174.600 0.157 0.000 1.001 97 S CA 1.418 59.704 58.200 0.142 0.000 0.831 97 S CB 0.388 63.653 63.200 0.110 0.000 0.941 97 S HN 0.191 8.553 8.310 0.087 0.000 0.585 98 S N 1.965 117.724 115.700 0.098 0.000 2.446 98 S HA -0.048 4.455 4.470 0.055 0.000 0.225 98 S C 0.865 175.486 174.600 0.035 0.000 1.016 98 S CA 2.420 60.652 58.200 0.054 0.000 0.943 98 S CB -0.126 63.093 63.200 0.031 0.000 0.786 98 S HN 0.141 8.498 8.310 0.079 0.000 0.508 99 D N 0.406 120.844 120.400 0.064 0.000 2.280 99 D HA -0.280 4.387 4.640 0.044 0.000 0.206 99 D C 1.490 177.859 176.300 0.114 0.000 0.988 99 D CA 3.154 57.195 54.000 0.068 0.000 0.886 99 D CB -0.163 40.673 40.800 0.061 0.000 0.914 99 D HN 0.360 8.754 8.370 0.070 0.019 0.473 100 V N -3.112 116.887 119.914 0.142 0.000 2.427 100 V HA -0.288 4.063 4.120 0.385 0.000 0.248 100 V C 1.547 177.646 176.094 0.008 0.000 1.051 100 V CA 3.554 65.976 62.300 0.204 0.000 1.048 100 V CB -0.703 31.275 31.823 0.258 0.000 0.666 100 V HN -0.825 7.408 8.190 0.138 0.039 0.456 101 K N 0.445 120.743 120.400 -0.170 0.000 2.097 101 K HA -0.278 3.776 4.320 -0.444 0.000 0.205 101 K C 2.516 179.047 176.600 -0.116 0.000 1.050 101 K CA 2.976 59.099 56.287 -0.274 0.000 0.938 101 K CB -0.687 31.644 32.500 -0.282 0.000 0.718 101 K HN 0.548 8.583 8.250 -0.130 0.137 0.442 102 S N -0.853 114.833 115.700 -0.024 0.000 2.359 102 S HA -0.321 4.139 4.470 -0.018 0.000 0.224 102 S C 1.996 176.633 174.600 0.061 0.000 1.035 102 S CA 4.176 62.385 58.200 0.015 0.000 1.018 102 S CB -0.069 63.154 63.200 0.038 0.000 0.876 102 S HN -0.560 7.658 8.310 -0.006 0.088 0.448 103 Y N 1.966 122.262 120.300 -0.006 0.000 2.314 103 Y HA -0.236 4.324 4.550 0.015 0.000 0.293 103 Y C 2.347 178.265 175.900 0.030 0.000 1.129 103 Y CA 2.369 60.484 58.100 0.025 0.000 1.201 103 Y CB -0.014 38.492 38.460 0.077 0.000 0.999 103 Y HN -0.623 7.808 8.280 0.253 0.000 0.541 104 I N 0.254 120.696 120.570 -0.213 0.000 2.335 104 I HA -0.587 3.318 4.170 -0.443 0.000 0.251 104 I C 1.659 177.640 176.117 -0.227 0.000 1.129 104 I CA 3.962 65.087 61.300 -0.292 0.000 1.402 104 I CB -0.598 37.262 38.000 -0.234 0.000 1.069 104 I HN 0.160 8.155 8.210 -0.034 0.194 0.424 105 D N -0.403 119.902 120.400 -0.158 0.000 2.178 105 D HA -0.183 4.395 4.640 -0.103 0.000 0.202 105 D C 0.645 176.887 176.300 -0.096 0.000 0.974 105 D CA 2.260 56.197 54.000 -0.106 0.000 0.841 105 D CB 0.127 40.885 40.800 -0.069 0.000 0.953 105 D HN -0.309 7.871 8.370 -0.128 0.114 0.478 106 K N 0.335 120.663 120.400 -0.120 0.000 2.199 106 K HA -0.157 4.141 4.320 -0.038 0.000 0.226 106 K C -0.780 175.746 176.600 -0.123 0.000 1.237 106 K CA -0.290 55.948 56.287 -0.081 0.000 1.170 106 K CB -1.264 31.236 32.500 -0.000 0.000 1.418 106 K HN -0.562 7.452 8.250 -0.145 0.149 0.255 107 D N 1.100 121.450 120.400 -0.083 0.000 2.447 107 D HA 0.034 4.616 4.640 -0.097 0.000 0.265 107 D C -0.059 176.226 176.300 -0.026 0.000 1.250 107 D CA -0.357 53.604 54.000 -0.064 0.000 1.046 107 D CB 0.823 41.599 40.800 -0.040 0.000 1.095 107 D HN -0.189 8.109 8.370 -0.063 0.035 0.555 108 G N -0.194 108.598 108.800 -0.012 0.000 2.648 108 G HA2 -0.190 3.771 3.960 0.002 0.000 0.317 108 G HA3 -0.190 3.776 3.960 0.009 0.000 0.317 108 G C -1.496 173.409 174.900 0.008 0.000 1.216 108 G CA -0.324 44.778 45.100 0.003 0.000 1.210 108 G HN -0.025 8.257 8.290 -0.014 0.000 0.583 109 D N 1.200 121.603 120.400 0.005 0.000 3.082 109 D HA -0.394 4.247 4.640 0.002 0.000 0.234 109 D C -1.273 175.029 176.300 0.004 0.000 1.159 109 D CA 1.343 55.345 54.000 0.004 0.000 0.875 109 D CB -1.374 39.429 40.800 0.004 0.000 0.946 109 D HN -0.047 8.324 8.370 0.003 0.000 0.411 110 V N -4.037 115.879 119.914 0.003 0.000 3.159 110 V HA 0.502 4.675 4.120 0.003 -0.052 0.308 110 V C -2.713 173.382 176.094 0.003 0.000 1.190 110 V CA -3.247 59.055 62.300 0.003 0.000 1.037 110 V CB 3.574 35.398 31.823 0.002 0.000 1.060 110 V HN -0.356 7.835 8.190 0.003 0.000 0.437 111 L N 2.786 124.008 121.223 -0.001 0.000 2.282 111 L HA 0.431 4.778 4.340 0.011 0.000 0.288 111 L C -1.575 175.293 176.870 -0.003 0.000 1.033 111 L CA -0.814 54.028 54.840 0.003 0.000 0.807 111 L CB 1.889 43.944 42.059 -0.006 0.000 1.209 111 L HN 0.719 8.947 8.230 -0.005 0.000 0.423 112 E N 6.047 126.259 120.200 0.019 0.000 2.133 112 E HA 0.313 4.607 4.350 -0.093 0.000 0.274 112 E C -1.508 175.114 176.600 0.037 0.000 0.930 112 E CA -0.283 56.118 56.400 0.002 0.000 0.770 112 E CB 1.373 31.125 29.700 0.087 0.000 1.104 112 E HN 0.236 8.615 8.360 0.032 0.000 0.403 113 W N 7.165 128.281 121.300 -0.308 0.000 3.022 113 W HA 0.196 4.792 4.660 -0.107 0.000 0.335 113 W C -1.749 174.612 176.519 -0.264 0.000 1.133 113 W CA -0.290 56.925 57.345 -0.218 0.000 1.219 113 W CB 2.971 32.320 29.460 -0.185 0.000 1.409 113 W HN 0.476 8.483 8.180 -0.288 0.000 0.507 114 G N 4.639 112.961 108.800 -0.797 0.000 2.855 114 G HA2 -0.356 3.007 3.960 -0.996 0.000 0.352 114 G HA3 -0.356 3.636 3.960 -0.283 -0.201 0.352 114 G C -1.652 173.328 174.900 0.133 0.000 1.415 114 G CA -0.095 44.648 45.100 -0.594 0.000 0.871 114 G HN 0.139 7.592 8.290 -1.395 0.000 0.543 115 T N 2.625 117.294 114.554 0.193 0.000 2.809 115 T HA 0.120 4.703 4.350 0.388 0.000 0.284 115 T C -1.390 173.444 174.700 0.223 0.000 0.992 115 T CA -0.756 61.497 62.100 0.255 0.000 0.957 115 T CB 1.960 70.859 68.868 0.052 0.000 0.942 115 T HN -0.061 8.205 8.240 0.045 0.000 0.439 116 F N 6.857 126.718 119.950 -0.148 0.000 2.410 116 F HA 0.052 4.762 4.527 0.016 -0.173 0.334 116 F C -0.555 175.163 175.800 -0.136 0.000 1.134 116 F CA 0.032 57.896 58.000 -0.228 0.000 1.227 116 F CB 1.956 40.514 39.000 -0.737 0.000 1.194 116 F HN 0.140 8.314 8.300 -0.210 0.000 0.571 117 Q N 4.855 124.687 119.800 0.053 0.000 2.296 117 Q HA 0.203 4.648 4.340 0.176 0.000 0.254 117 Q C -1.713 174.363 176.000 0.126 0.000 0.936 117 Q CA -1.039 54.830 55.803 0.109 0.000 0.834 117 Q CB 2.037 30.782 28.738 0.011 0.000 1.340 117 Q HN 0.175 8.350 8.270 -0.495 -0.202 0.428 118 I N 4.852 125.560 120.570 0.231 0.000 2.363 118 I HA -0.084 4.242 4.170 0.260 0.000 0.292 118 I C -0.528 175.648 176.117 0.100 0.000 1.075 118 I CA -0.330 61.094 61.300 0.206 0.000 1.333 118 I CB 0.191 38.305 38.000 0.189 0.000 1.415 118 I HN 0.351 8.688 8.210 0.211 0.000 0.502 119 D N 8.273 128.719 120.400 0.077 0.000 2.338 119 D HA 0.037 4.702 4.640 0.041 0.000 0.255 119 D C 0.376 176.706 176.300 0.050 0.000 1.237 119 D CA 0.169 54.199 54.000 0.050 0.000 0.883 119 D CB 0.262 41.086 40.800 0.039 0.000 1.087 119 D HN 0.204 8.623 8.370 0.081 0.000 0.485 120 G N 2.596 111.420 108.800 0.041 0.000 2.707 120 G HA2 -0.240 3.737 3.960 0.028 0.000 0.686 120 G HA3 -0.240 3.741 3.960 0.035 0.000 0.686 120 G C -1.386 173.535 174.900 0.036 0.000 1.315 120 G CA -0.701 44.420 45.100 0.035 0.000 0.832 120 G HN -0.165 8.147 8.290 0.037 0.000 0.573 121 R N 0.000 120.517 120.500 0.028 0.000 2.786 121 R HA 0.000 4.357 4.340 0.029 0.000 0.208 121 R CA 0.000 56.115 56.100 0.024 0.000 0.921 121 R CB 0.000 30.311 30.300 0.019 0.000 0.687 121 R HN 0.000 8.285 8.270 0.024 0.000 0.535