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 2jpa_1_A DATA FIRST_RESID 1 DATA SEQUENCE ASEKRPFMCA YPGCNKRYFK LSHLQMHSRK HTGEKPYQCD FKDCERRFSR DATA SEQUENCE SDQLKRHQRR HTGVKPFQCK TCQRKFSRSD HLKTHTRTHT GEKPFSCRWP DATA SEQUENCE SCQKKFARSD ELVRHHNMH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 4.329 4.320 0.015 0.000 0.244 1 A C 0.000 177.582 177.584 -0.003 0.000 1.274 1 A CA 0.000 52.042 52.037 0.008 0.000 0.836 1 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 2 S N -3.142 112.557 115.700 -0.001 0.000 2.933 2 S HA 0.166 4.612 4.470 -0.040 0.000 0.236 2 S C -0.529 174.066 174.600 -0.009 0.000 0.836 2 S CA 0.173 58.361 58.200 -0.020 0.000 1.298 2 S CB 0.824 64.007 63.200 -0.027 0.000 1.243 2 S HN -0.374 7.941 8.310 0.008 0.000 0.607 3 E N 0.397 120.605 120.200 0.014 0.000 2.338 3 E HA -0.168 4.186 4.350 0.008 0.000 0.197 3 E C 0.053 176.671 176.600 0.030 0.000 1.007 3 E CA 1.010 57.421 56.400 0.019 0.000 0.849 3 E CB 0.059 29.775 29.700 0.027 0.000 0.774 3 E HN -0.065 8.309 8.360 0.024 0.000 0.506 4 K N -0.491 119.939 120.400 0.049 0.000 2.740 4 K HA 0.090 4.430 4.320 0.034 0.000 0.246 4 K C -2.005 174.579 176.600 -0.026 0.000 1.021 4 K CA 0.178 56.509 56.287 0.073 0.000 1.021 4 K CB 0.214 32.828 32.500 0.190 0.000 1.233 4 K HN -0.488 7.744 8.250 0.050 0.048 0.497 5 R N 5.607 126.026 120.500 -0.135 0.000 2.629 5 R HA 0.521 4.521 4.340 -0.568 0.000 0.275 5 R C -2.316 173.829 176.300 -0.257 0.000 1.719 5 R CA -2.375 53.549 56.100 -0.293 0.000 1.472 5 R CB -1.032 29.149 30.300 -0.197 0.000 1.237 5 R HN 0.272 8.491 8.270 -0.086 0.000 0.589 6 P HA -0.206 4.008 4.420 -0.344 0.000 0.216 6 P C -1.328 175.540 177.300 -0.719 0.000 1.150 6 P CA 1.581 64.453 63.100 -0.379 0.000 0.843 6 P CB 0.356 31.958 31.700 -0.163 0.000 0.787 7 F N -6.272 113.633 119.950 -0.075 0.000 2.629 7 F HA 0.203 4.745 4.527 0.024 0.000 0.316 7 F C -1.900 173.919 175.800 0.031 0.000 1.081 7 F CA -1.559 56.454 58.000 0.022 0.000 0.954 7 F CB 4.236 43.304 39.000 0.113 0.000 1.337 7 F HN -0.260 7.992 8.300 -0.065 0.010 0.474 8 M N -0.649 119.118 119.600 0.279 0.000 2.593 8 M HA 0.742 5.531 4.480 0.270 -0.147 0.290 8 M C -1.842 174.652 176.300 0.323 0.000 1.244 8 M CA -2.414 53.037 55.300 0.252 0.000 0.857 8 M CB 2.864 35.533 32.600 0.114 0.000 1.738 8 M HN 0.066 8.544 8.290 0.312 0.000 0.461 9 C N 1.409 120.935 119.300 0.377 0.000 2.644 9 C HA 0.139 4.786 4.460 0.311 0.000 0.417 9 C C 1.043 176.160 174.990 0.211 0.000 1.304 9 C CA 0.055 59.285 59.018 0.354 0.000 2.035 9 C CB 1.980 30.054 27.740 0.556 0.000 2.673 9 C HN 0.631 8.976 8.230 0.372 0.108 0.602 10 A N 8.354 131.271 122.820 0.162 0.000 2.275 10 A HA 0.009 4.369 4.320 0.067 0.000 0.212 10 A C -0.570 177.034 177.584 0.033 0.000 1.201 10 A CA 0.273 52.361 52.037 0.085 0.000 0.843 10 A CB -0.389 18.657 19.000 0.076 0.000 0.873 10 A HN 0.481 8.735 8.150 0.174 0.000 0.492 11 Y N 1.640 121.860 120.300 -0.133 0.000 2.359 11 Y HA 0.168 4.572 4.550 -0.243 0.000 0.334 11 Y C -0.831 174.944 175.900 -0.209 0.000 1.058 11 Y CA -2.116 55.792 58.100 -0.320 0.000 1.244 11 Y CB 1.433 39.304 38.460 -0.983 0.000 1.187 11 Y HN -0.683 7.619 8.280 0.146 0.066 0.510 12 P HA -0.092 4.187 4.420 -0.236 0.000 0.226 12 P C -0.075 177.022 177.300 -0.338 0.000 1.153 12 P CA 1.132 63.977 63.100 -0.425 0.000 0.777 12 P CB 0.109 31.560 31.700 -0.415 0.000 0.794 13 G N -3.420 105.103 108.800 -0.463 0.000 2.985 13 G HA2 -0.036 3.912 3.960 -0.021 0.000 0.209 13 G HA3 -0.036 4.057 3.960 0.221 0.000 0.209 13 G C -0.666 174.359 174.900 0.208 0.000 1.165 13 G CA -0.670 44.438 45.100 0.013 0.000 0.776 13 G HN -0.072 7.447 8.290 -1.201 0.050 0.541 14 C N 0.028 119.450 119.300 0.203 0.000 3.070 14 C HA 0.208 4.836 4.460 0.281 0.000 0.226 14 C C -1.151 173.941 174.990 0.171 0.000 2.355 14 C CA -0.535 58.659 59.018 0.293 0.000 1.480 14 C CB 1.026 29.124 27.740 0.597 0.000 1.232 14 C HN -0.242 7.849 8.230 0.073 0.183 0.761 15 N N 0.237 119.033 118.700 0.160 0.000 2.693 15 N HA -0.449 4.610 4.740 0.117 -0.249 0.249 15 N C -1.178 174.390 175.510 0.097 0.000 1.119 15 N CA 1.334 54.447 53.050 0.105 0.000 0.717 15 N CB -1.146 37.364 38.487 0.038 0.000 1.071 15 N HN -0.093 8.400 8.380 0.188 0.000 0.555 16 K N -3.432 117.047 120.400 0.132 0.000 2.117 16 K HA -0.039 4.269 4.320 -0.020 0.000 0.240 16 K C -0.717 175.856 176.600 -0.046 0.000 1.031 16 K CA 0.233 56.525 56.287 0.007 0.000 0.909 16 K CB 1.250 33.715 32.500 -0.059 0.000 1.097 16 K HN -0.626 7.737 8.250 0.234 0.027 0.492 17 R N -1.867 118.484 120.500 -0.248 0.000 2.536 17 R HA 0.559 4.981 4.340 -0.092 -0.137 0.279 17 R C -0.960 174.919 176.300 -0.701 0.000 1.001 17 R CA -0.978 54.942 56.100 -0.300 0.000 1.027 17 R CB 1.830 31.944 30.300 -0.311 0.000 1.096 17 R HN 0.187 8.305 8.270 -0.254 0.000 0.502 18 Y N -2.533 117.677 120.300 -0.151 0.000 2.644 18 Y HA 0.345 4.982 4.550 0.145 0.000 0.338 18 Y C -1.382 174.469 175.900 -0.081 0.000 1.119 18 Y CA -0.925 57.200 58.100 0.040 0.000 1.060 18 Y CB 4.387 42.964 38.460 0.195 0.000 1.294 18 Y HN 0.614 8.731 8.280 -0.074 0.118 0.472 19 F N -1.717 118.623 119.950 0.650 0.000 2.640 19 F HA 0.174 4.943 4.527 0.405 0.000 0.285 19 F C -0.341 175.578 175.800 0.199 0.000 1.031 19 F CA 0.963 59.169 58.000 0.344 0.000 1.240 19 F CB 2.430 41.511 39.000 0.135 0.000 1.011 19 F HN 0.513 9.719 8.300 1.510 0.000 0.656 20 K N 1.104 121.428 120.400 -0.127 0.000 2.263 20 K HA 0.320 4.584 4.320 -0.094 0.000 0.272 20 K C 0.482 176.872 176.600 -0.350 0.000 1.033 20 K CA -2.172 53.948 56.287 -0.278 0.000 0.884 20 K CB 0.033 32.229 32.500 -0.507 0.000 1.107 20 K HN -0.621 7.279 8.250 -0.584 0.000 0.460 21 L N 4.891 125.647 121.223 -0.779 0.000 2.051 21 L HA -0.419 2.869 4.340 -1.753 0.000 0.214 21 L C 1.667 178.299 176.870 -0.396 0.000 1.076 21 L CA 3.682 57.885 54.840 -1.062 0.000 0.758 21 L CB -0.678 40.914 42.059 -0.780 0.000 0.890 21 L HN 0.543 8.424 8.230 -0.583 0.000 0.433 22 S N -0.613 114.963 115.700 -0.207 0.000 2.355 22 S HA -0.231 4.336 4.470 -0.093 -0.153 0.222 22 S C 1.514 176.110 174.600 -0.006 0.000 1.031 22 S CA 2.825 60.973 58.200 -0.086 0.000 0.993 22 S CB -0.981 62.191 63.200 -0.046 0.000 0.859 22 S HN 0.179 8.359 8.310 -0.205 0.007 0.453 23 H N 1.757 120.780 119.070 -0.080 0.000 2.456 23 H HA -0.105 4.443 4.556 -0.013 0.000 0.296 23 H C 2.061 177.332 175.328 -0.094 0.000 1.079 23 H CA 2.476 58.513 56.048 -0.018 0.000 1.322 23 H CB -0.310 29.503 29.762 0.085 0.000 1.388 23 H HN -0.027 8.287 8.280 0.056 0.000 0.538 24 L N 0.270 121.516 121.223 0.039 0.000 2.109 24 L HA -0.247 3.492 4.340 -1.001 0.000 0.207 24 L C 1.210 177.924 176.870 -0.259 0.000 1.086 24 L CA 2.800 57.408 54.840 -0.388 0.000 0.760 24 L CB -0.414 41.505 42.059 -0.235 0.000 0.910 24 L HN 0.537 8.746 8.230 0.137 0.103 0.437 25 Q N -0.101 119.607 119.800 -0.153 0.000 2.135 25 Q HA -0.387 3.893 4.340 -0.100 0.000 0.204 25 Q C 2.648 178.584 176.000 -0.107 0.000 0.981 25 Q CA 3.034 58.772 55.803 -0.109 0.000 0.856 25 Q CB -0.296 28.394 28.738 -0.080 0.000 0.902 25 Q HN 0.040 8.033 8.270 -0.144 0.191 0.425 26 M N -2.040 117.507 119.600 -0.090 0.000 2.099 26 M HA -0.284 4.154 4.480 -0.071 0.000 0.262 26 M C 2.664 178.884 176.300 -0.134 0.000 1.067 26 M CA 2.557 57.810 55.300 -0.078 0.000 1.124 26 M CB -0.636 31.948 32.600 -0.025 0.000 1.353 26 M HN 0.268 8.410 8.290 -0.067 0.107 0.410 27 H N 1.180 120.093 119.070 -0.261 0.000 2.352 27 H HA -0.271 4.151 4.556 -0.222 0.000 0.299 27 H C 2.468 177.645 175.328 -0.252 0.000 1.097 27 H CA 3.657 59.517 56.048 -0.314 0.000 1.311 27 H CB -0.077 29.294 29.762 -0.651 0.000 1.377 27 H HN -0.086 8.034 8.280 -0.159 0.064 0.504 28 S N -0.846 114.556 115.700 -0.497 0.000 2.400 28 S HA -0.296 3.957 4.470 -0.362 0.000 0.232 28 S C 1.719 176.156 174.600 -0.271 0.000 1.025 28 S CA 2.723 60.720 58.200 -0.338 0.000 0.993 28 S CB -0.479 62.649 63.200 -0.121 0.000 0.808 28 S HN 0.398 8.412 8.310 -0.307 0.112 0.478 29 R N -0.041 120.319 120.500 -0.233 0.000 2.105 29 R HA -0.355 3.923 4.340 -0.102 0.000 0.239 29 R C 2.369 178.552 176.300 -0.195 0.000 1.135 29 R CA 3.291 59.297 56.100 -0.157 0.000 0.967 29 R CB -0.431 29.798 30.300 -0.117 0.000 0.861 29 R HN -0.438 7.545 8.270 -0.232 0.148 0.442 30 K N -0.970 119.239 120.400 -0.319 0.000 2.063 30 K HA -0.284 3.901 4.320 -0.225 0.000 0.208 30 K C 2.394 178.784 176.600 -0.350 0.000 1.048 30 K CA 2.703 58.782 56.287 -0.347 0.000 0.928 30 K CB -0.467 31.748 32.500 -0.474 0.000 0.713 30 K HN -0.234 7.656 8.250 -0.406 0.116 0.442 31 H N -1.726 117.101 119.070 -0.404 0.000 2.512 31 H HA 0.195 4.504 4.556 -0.707 -0.178 0.279 31 H C 2.430 177.570 175.328 -0.315 0.000 0.999 31 H CA 1.795 57.514 56.048 -0.548 0.000 1.283 31 H CB 0.084 29.470 29.762 -0.627 0.000 1.421 31 H HN -0.279 7.625 8.280 -0.471 0.094 0.554 32 T N -2.277 112.246 114.554 -0.052 0.000 2.897 32 T HA -0.345 4.044 4.350 0.065 0.000 0.271 32 T C 0.625 175.352 174.700 0.044 0.000 1.084 32 T CA 3.376 65.488 62.100 0.019 0.000 1.123 32 T CB -0.335 68.539 68.868 0.011 0.000 0.865 32 T HN -0.189 7.854 8.240 -0.091 0.142 0.496 33 G N -2.149 106.647 108.800 -0.007 0.000 3.523 33 G HA2 0.200 4.291 3.960 0.076 0.000 0.270 33 G HA3 0.200 4.164 3.960 0.005 0.000 0.270 33 G C -0.677 174.230 174.900 0.011 0.000 1.134 33 G CA -0.514 44.600 45.100 0.023 0.000 0.825 33 G HN -0.643 7.572 8.290 -0.062 0.038 0.534 34 E N -0.026 120.159 120.200 -0.024 0.000 2.758 34 E HA 0.160 4.525 4.350 0.026 0.000 0.215 34 E C -1.195 175.488 176.600 0.138 0.000 0.985 34 E CA -1.102 55.285 56.400 -0.021 0.000 1.102 34 E CB 1.284 30.834 29.700 -0.249 0.000 1.042 34 E HN 0.246 8.394 8.360 -0.043 0.186 0.480 35 K N 1.615 122.090 120.400 0.126 0.000 2.347 35 K HA 0.399 4.798 4.320 0.132 0.000 0.262 35 K C -2.562 173.994 176.600 -0.074 0.000 1.052 35 K CA -2.666 53.648 56.287 0.044 0.000 0.946 35 K CB 0.951 33.417 32.500 -0.058 0.000 1.220 35 K HN -0.012 8.234 8.250 0.116 0.074 0.450 36 P HA 0.018 4.604 4.420 0.070 -0.124 0.260 36 P C -1.172 176.111 177.300 -0.028 0.000 1.651 36 P CA -0.541 62.556 63.100 -0.006 0.000 1.139 36 P CB -0.885 30.811 31.700 -0.008 0.000 1.756 37 Y N 4.340 124.697 120.300 0.095 0.000 2.281 37 Y HA -0.174 4.420 4.550 0.074 0.000 0.337 37 Y C -0.047 175.920 175.900 0.112 0.000 1.304 37 Y CA -0.061 58.103 58.100 0.107 0.000 1.465 37 Y CB 0.859 39.407 38.460 0.147 0.000 1.350 37 Y HN 0.542 9.051 8.280 0.383 0.000 0.575 38 Q N -0.997 118.977 119.800 0.290 0.000 2.423 38 Q HA 0.466 5.093 4.340 0.200 -0.167 0.278 38 Q C -0.955 175.181 176.000 0.226 0.000 1.097 38 Q CA -2.794 53.134 55.803 0.208 0.000 0.809 38 Q CB 2.448 31.252 28.738 0.110 0.000 1.391 38 Q HN 0.123 8.574 8.270 0.302 0.000 0.428 39 C N 3.641 123.105 119.300 0.273 0.000 2.634 39 C HA -0.166 4.451 4.460 0.261 0.000 0.417 39 C C -0.004 174.982 174.990 -0.006 0.000 1.334 39 C CA 2.285 61.456 59.018 0.254 0.000 1.829 39 C CB 0.660 28.704 27.740 0.507 0.000 2.665 39 C HN 0.326 8.725 8.230 0.282 0.000 0.614 40 D N 2.084 122.275 120.400 -0.347 0.000 2.354 40 D HA -0.120 4.410 4.640 -0.183 0.000 0.209 40 D C -0.495 175.545 176.300 -0.434 0.000 1.015 40 D CA 0.567 54.334 54.000 -0.388 0.000 0.867 40 D CB 0.303 40.832 40.800 -0.451 0.000 0.933 40 D HN 0.430 8.454 8.370 -0.577 0.000 0.520 41 F N -0.736 119.159 119.950 -0.092 0.000 2.444 41 F HA -0.054 4.406 4.527 -0.111 0.000 0.331 41 F C 1.704 177.475 175.800 -0.048 0.000 1.167 41 F CA 0.159 58.081 58.000 -0.130 0.000 1.262 41 F CB 0.516 39.316 39.000 -0.334 0.000 1.196 41 F HN -0.438 7.362 8.300 -0.749 0.050 0.583 42 K N 0.671 121.161 120.400 0.151 0.000 2.426 42 K HA -0.034 4.336 4.320 0.084 0.000 0.193 42 K C -0.617 176.057 176.600 0.123 0.000 1.028 42 K CA 1.149 57.499 56.287 0.105 0.000 1.047 42 K CB -0.489 32.053 32.500 0.071 0.000 0.821 42 K HN 0.398 8.753 8.250 0.175 0.000 0.513 43 D N -3.197 117.301 120.400 0.163 0.000 2.402 43 D HA 0.035 4.745 4.640 0.116 0.000 0.216 43 D C -1.497 174.924 176.300 0.202 0.000 1.128 43 D CA -0.768 53.319 54.000 0.146 0.000 0.833 43 D CB -0.664 40.209 40.800 0.122 0.000 0.971 43 D HN -0.032 8.417 8.370 0.217 0.051 0.503 44 C N -1.389 118.059 119.300 0.246 0.000 3.213 44 C HA 0.236 4.872 4.460 0.294 0.000 0.319 44 C C -1.963 173.164 174.990 0.229 0.000 1.386 44 C CA -1.233 57.973 59.018 0.315 0.000 1.494 44 C CB 2.632 30.678 27.740 0.510 0.000 1.905 44 C HN -0.717 7.573 8.230 0.228 0.077 0.456 45 E N 0.338 120.665 120.200 0.211 0.000 3.042 45 E HA 0.084 4.513 4.350 0.131 0.000 0.144 45 E C -1.356 175.298 176.600 0.089 0.000 0.893 45 E CA -0.070 56.409 56.400 0.131 0.000 1.422 45 E CB 0.775 30.526 29.700 0.085 0.000 0.997 45 E HN 0.251 8.762 8.360 0.251 0.000 0.420 46 R N -0.457 120.119 120.500 0.126 0.000 2.543 46 R HA 0.248 4.518 4.340 -0.118 0.000 0.268 46 R C -1.319 174.895 176.300 -0.144 0.000 1.067 46 R CA 0.254 56.318 56.100 -0.061 0.000 1.142 46 R CB 1.450 31.689 30.300 -0.102 0.000 1.110 46 R HN -0.600 7.827 8.270 0.262 0.000 0.549 47 R N -1.185 119.039 120.500 -0.460 0.000 2.686 47 R HA 0.649 5.083 4.340 -0.084 -0.144 0.283 47 R C -0.799 175.013 176.300 -0.814 0.000 0.978 47 R CA -0.813 55.070 56.100 -0.362 0.000 0.897 47 R CB 2.473 32.678 30.300 -0.160 0.000 1.192 47 R HN 0.202 8.120 8.270 -0.586 0.000 0.457 48 F N 1.044 121.053 119.950 0.097 0.000 2.540 48 F HA 0.363 4.925 4.527 0.059 0.000 0.317 48 F C 0.234 176.149 175.800 0.192 0.000 1.104 48 F CA -1.150 56.914 58.000 0.108 0.000 0.913 48 F CB 3.803 42.859 39.000 0.093 0.000 1.170 48 F HN 0.536 8.857 8.300 0.220 0.111 0.450 49 S N 1.016 116.873 115.700 0.262 0.000 2.593 49 S HA -0.077 4.552 4.470 0.185 -0.048 0.217 49 S C -0.381 174.387 174.600 0.280 0.000 0.966 49 S CA 0.930 59.256 58.200 0.211 0.000 0.914 49 S CB 0.515 63.782 63.200 0.111 0.000 0.776 49 S HN 0.492 8.927 8.310 0.209 0.000 0.523 50 R N -1.348 119.367 120.500 0.358 0.000 2.698 50 R HA 0.411 5.108 4.340 0.371 -0.134 0.275 50 R C 0.110 176.512 176.300 0.171 0.000 1.001 50 R CA -1.756 54.526 56.100 0.302 0.000 0.896 50 R CB 3.886 34.280 30.300 0.157 0.000 1.218 50 R HN -0.249 8.186 8.270 0.400 0.075 0.462 51 S N 4.828 120.543 115.700 0.024 0.000 2.370 51 S HA -0.359 3.472 4.470 -1.064 0.000 0.226 51 S C 0.957 175.428 174.600 -0.215 0.000 1.033 51 S CA 4.440 62.394 58.200 -0.410 0.000 1.011 51 S CB -0.185 62.882 63.200 -0.222 0.000 0.852 51 S HN 0.693 9.138 8.310 0.225 0.000 0.457 52 D N 0.696 121.049 120.400 -0.078 0.000 2.144 52 D HA -0.286 4.314 4.640 -0.067 0.000 0.199 52 D C 1.673 177.929 176.300 -0.072 0.000 0.984 52 D CA 3.049 57.015 54.000 -0.057 0.000 0.834 52 D CB -0.539 40.252 40.800 -0.015 0.000 0.955 52 D HN 0.274 8.629 8.370 -0.025 0.000 0.465 53 Q N -0.366 119.411 119.800 -0.039 0.000 2.050 53 Q HA -0.280 4.028 4.340 -0.053 0.000 0.202 53 Q C 2.451 178.231 176.000 -0.366 0.000 0.980 53 Q CA 3.060 58.828 55.803 -0.058 0.000 0.840 53 Q CB -0.448 28.393 28.738 0.171 0.000 0.898 53 Q HN -0.246 7.943 8.270 0.011 0.088 0.424 54 L N 0.852 121.883 121.223 -0.321 0.000 2.017 54 L HA -0.292 3.384 4.340 -1.107 0.000 0.208 54 L C 1.509 178.222 176.870 -0.262 0.000 1.073 54 L CA 3.368 57.939 54.840 -0.448 0.000 0.745 54 L CB -0.557 41.418 42.059 -0.141 0.000 0.894 54 L HN 0.103 8.266 8.230 -0.112 0.000 0.432 55 K N -0.669 119.619 120.400 -0.186 0.000 2.063 55 K HA -0.266 4.251 4.320 -0.072 -0.240 0.208 55 K C 2.607 179.166 176.600 -0.068 0.000 1.048 55 K CA 2.128 58.354 56.287 -0.101 0.000 0.928 55 K CB -0.543 31.903 32.500 -0.091 0.000 0.713 55 K HN 0.245 8.260 8.250 -0.209 0.110 0.442 56 R N -1.733 118.711 120.500 -0.093 0.000 2.073 56 R HA -0.321 4.006 4.340 -0.021 0.000 0.234 56 R C 2.607 178.852 176.300 -0.092 0.000 1.134 56 R CA 3.433 59.493 56.100 -0.068 0.000 0.952 56 R CB -0.189 30.067 30.300 -0.074 0.000 0.850 56 R HN 0.200 8.284 8.270 -0.121 0.113 0.433 57 H N 0.401 119.293 119.070 -0.297 0.000 2.387 57 H HA -0.204 4.233 4.556 -0.198 0.000 0.299 57 H C 2.696 178.007 175.328 -0.028 0.000 1.090 57 H CA 3.257 59.128 56.048 -0.296 0.000 1.332 57 H CB -0.030 29.209 29.762 -0.873 0.000 1.386 57 H HN 0.166 8.116 8.280 -0.267 0.171 0.516 58 Q N -0.954 118.863 119.800 0.028 0.000 2.152 58 Q HA -0.409 4.302 4.340 0.619 0.000 0.206 58 Q C 2.240 178.299 176.000 0.098 0.000 0.985 58 Q CA 3.431 59.401 55.803 0.278 0.000 0.863 58 Q CB -0.213 28.685 28.738 0.267 0.000 0.904 58 Q HN 0.497 8.667 8.270 0.010 0.106 0.422 59 R N -1.806 118.688 120.500 -0.009 0.000 2.127 59 R HA -0.297 4.052 4.340 0.015 0.000 0.238 59 R C 2.259 178.494 176.300 -0.108 0.000 1.134 59 R CA 2.855 58.941 56.100 -0.024 0.000 0.975 59 R CB -0.390 29.910 30.300 0.001 0.000 0.865 59 R HN -0.363 7.764 8.270 -0.026 0.127 0.447 60 R N -1.812 118.536 120.500 -0.253 0.000 2.127 60 R HA -0.303 3.899 4.340 -0.229 0.000 0.238 60 R C 1.704 177.746 176.300 -0.430 0.000 1.134 60 R CA 2.784 58.659 56.100 -0.375 0.000 0.975 60 R CB -0.251 29.686 30.300 -0.605 0.000 0.865 60 R HN -0.151 7.797 8.270 -0.304 0.140 0.447 61 H N -3.298 115.509 119.070 -0.438 0.000 2.451 61 H HA 0.097 4.406 4.556 -0.412 0.000 0.294 61 H C 1.708 176.888 175.328 -0.247 0.000 1.028 61 H CA 2.152 57.900 56.048 -0.500 0.000 1.349 61 H CB 1.242 30.280 29.762 -1.207 0.000 1.444 61 H HN -0.217 7.743 8.280 -0.299 0.140 0.538 62 T N -4.438 110.114 114.554 -0.003 0.000 2.985 62 T HA -0.102 4.281 4.350 0.056 0.000 0.266 62 T C 1.653 176.352 174.700 -0.002 0.000 1.076 62 T CA 0.939 63.061 62.100 0.036 0.000 1.135 62 T CB 1.060 69.972 68.868 0.074 0.000 0.890 62 T HN -0.460 7.704 8.240 -0.001 0.074 0.480 63 G N 2.654 111.436 108.800 -0.030 0.000 2.184 63 G HA2 -0.307 3.626 3.960 -0.046 0.000 0.264 63 G HA3 -0.307 3.634 3.960 -0.032 0.000 0.264 63 G C -0.155 174.735 174.900 -0.015 0.000 0.975 63 G CA 0.164 45.245 45.100 -0.032 0.000 0.642 63 G HN 0.112 8.247 8.290 -0.051 0.124 0.536 64 V N 2.220 122.132 119.914 -0.003 0.000 2.529 64 V HA -0.136 3.978 4.120 -0.010 0.000 0.292 64 V C -1.273 174.833 176.094 0.019 0.000 1.028 64 V CA 0.864 63.164 62.300 -0.000 0.000 1.074 64 V CB 0.593 32.416 31.823 0.000 0.000 0.958 64 V HN -0.688 7.436 8.190 0.001 0.066 0.481 65 K N 9.762 130.169 120.400 0.012 0.000 2.753 65 K HA 0.515 4.976 4.320 0.135 -0.060 0.185 65 K C -2.580 174.034 176.600 0.023 0.000 1.071 65 K CA -2.729 53.594 56.287 0.060 0.000 0.999 65 K CB 0.025 32.541 32.500 0.026 0.000 1.244 65 K HN 0.328 8.572 8.250 -0.010 0.000 0.594 66 P HA 0.052 4.391 4.420 -0.136 0.000 0.231 66 P C -0.871 176.276 177.300 -0.255 0.000 1.168 66 P CA 0.600 63.566 63.100 -0.224 0.000 0.779 66 P CB 0.616 32.078 31.700 -0.396 0.000 0.844 67 F N 0.887 120.893 119.950 0.093 0.000 2.423 67 F HA 0.075 4.666 4.527 0.107 0.000 0.356 67 F C -1.302 174.618 175.800 0.201 0.000 1.170 67 F CA -0.640 57.446 58.000 0.143 0.000 1.163 67 F CB -1.113 37.990 39.000 0.172 0.000 1.318 67 F HN -0.267 8.113 8.300 0.205 0.044 0.569 68 Q N 4.992 124.940 119.800 0.247 0.000 2.271 68 Q HA 0.517 5.166 4.340 0.185 -0.198 0.258 68 Q C -0.468 175.677 176.000 0.242 0.000 0.936 68 Q CA -1.523 54.395 55.803 0.193 0.000 0.909 68 Q CB 2.285 31.072 28.738 0.081 0.000 1.253 68 Q HN 0.072 8.442 8.270 0.167 0.000 0.440 69 C N 7.702 127.175 119.300 0.288 0.000 2.662 69 C HA 0.079 4.756 4.460 0.360 0.000 0.420 69 C C 0.813 175.909 174.990 0.177 0.000 1.314 69 C CA 0.189 59.403 59.018 0.326 0.000 1.963 69 C CB 1.730 29.762 27.740 0.486 0.000 2.686 69 C HN 0.625 8.892 8.230 0.251 0.114 0.609 70 K N 5.841 126.320 120.400 0.132 0.000 2.366 70 K HA -0.142 4.210 4.320 0.054 0.000 0.198 70 K C 0.118 176.717 176.600 -0.001 0.000 1.044 70 K CA 2.495 58.816 56.287 0.055 0.000 0.973 70 K CB -0.386 32.138 32.500 0.039 0.000 0.767 70 K HN 0.513 8.858 8.250 0.159 0.000 0.475 71 T N 0.481 115.008 114.554 -0.044 0.000 2.914 71 T HA 0.018 4.261 4.350 -0.177 0.000 0.240 71 T C 0.983 175.625 174.700 -0.097 0.000 1.025 71 T CA 1.719 63.685 62.100 -0.223 0.000 1.198 71 T CB 0.725 69.096 68.868 -0.829 0.000 0.892 71 T HN 0.005 8.226 8.240 0.028 0.036 0.417 72 C N -2.766 116.571 119.300 0.062 0.000 2.791 72 C HA 0.348 4.860 4.460 0.086 0.000 0.270 72 C C -0.790 174.261 174.990 0.100 0.000 1.257 72 C CA -1.742 57.367 59.018 0.150 0.000 1.699 72 C CB 0.665 28.613 27.740 0.346 0.000 1.904 72 C HN -0.603 7.739 8.230 0.186 0.000 0.603 73 Q N -2.366 117.491 119.800 0.095 0.000 2.481 73 Q HA -0.456 4.137 4.340 0.066 -0.213 0.258 73 Q C -0.340 175.661 176.000 0.003 0.000 0.961 73 Q CA 1.219 57.053 55.803 0.051 0.000 1.121 73 Q CB -1.764 26.987 28.738 0.021 0.000 1.503 73 Q HN 0.200 8.486 8.270 0.119 0.056 0.544 74 R N -1.430 119.063 120.500 -0.012 0.000 2.738 74 R HA -0.163 4.038 4.340 -0.231 0.000 0.268 74 R C -1.046 175.066 176.300 -0.313 0.000 1.062 74 R CA 1.449 57.406 56.100 -0.239 0.000 1.158 74 R CB 1.058 31.102 30.300 -0.426 0.000 1.046 74 R HN -0.571 7.718 8.270 0.099 0.040 0.493 75 K N -0.068 120.031 120.400 -0.501 0.000 2.345 75 K HA 0.527 4.937 4.320 -0.096 -0.148 0.255 75 K C -1.168 175.120 176.600 -0.520 0.000 0.934 75 K CA -0.881 55.215 56.287 -0.318 0.000 0.801 75 K CB 2.248 34.658 32.500 -0.150 0.000 1.137 75 K HN 0.022 7.946 8.250 -0.544 0.000 0.424 76 F N 1.536 121.556 119.950 0.116 0.000 2.611 76 F HA 0.325 4.916 4.527 0.106 0.000 0.324 76 F C -0.291 175.676 175.800 0.278 0.000 1.061 76 F CA -1.513 56.581 58.000 0.156 0.000 0.954 76 F CB 3.356 42.442 39.000 0.144 0.000 1.301 76 F HN 0.782 9.154 8.300 0.318 0.119 0.482 77 S N -0.805 115.157 115.700 0.436 0.000 2.559 77 S HA 0.140 4.897 4.470 0.478 0.000 0.226 77 S C -1.452 173.318 174.600 0.285 0.000 1.000 77 S CA -0.083 58.344 58.200 0.379 0.000 0.948 77 S CB 0.178 63.489 63.200 0.185 0.000 0.870 77 S HN 0.588 9.151 8.310 0.422 0.000 0.497 78 R N -1.021 119.467 120.500 -0.019 0.000 2.538 78 R HA 0.391 4.475 4.340 -0.426 0.000 0.292 78 R C 0.246 175.984 176.300 -0.937 0.000 1.008 78 R CA -1.188 54.613 56.100 -0.498 0.000 0.896 78 R CB 3.350 33.257 30.300 -0.655 0.000 1.187 78 R HN -0.389 7.905 8.270 0.139 0.059 0.440 79 S N 4.831 119.684 115.700 -1.411 0.000 2.400 79 S HA -0.479 3.179 4.470 -1.354 0.000 0.232 79 S C 1.328 175.630 174.600 -0.497 0.000 1.025 79 S CA 3.443 60.974 58.200 -1.114 0.000 0.993 79 S CB -0.383 62.403 63.200 -0.689 0.000 0.808 79 S HN 0.673 8.241 8.310 -1.237 0.000 0.478 80 D N 0.453 120.614 120.400 -0.400 0.000 2.117 80 D HA -0.244 4.296 4.640 -0.167 0.000 0.198 80 D C 1.905 178.113 176.300 -0.154 0.000 0.982 80 D CA 2.924 56.787 54.000 -0.228 0.000 0.828 80 D CB -0.368 40.314 40.800 -0.197 0.000 0.967 80 D HN 0.408 8.490 8.370 -0.457 0.015 0.464 81 H N -0.315 118.589 119.070 -0.277 0.000 2.357 81 H HA -0.141 4.266 4.556 -0.249 0.000 0.301 81 H C 2.506 177.473 175.328 -0.602 0.000 1.082 81 H CA 2.088 57.932 56.048 -0.341 0.000 1.342 81 H CB -0.185 29.430 29.762 -0.245 0.000 1.389 81 H HN -0.803 7.165 8.280 -0.367 0.093 0.511 82 L N 0.682 121.614 121.223 -0.484 0.000 2.027 82 L HA -0.318 3.416 4.340 -1.011 0.000 0.206 82 L C 1.660 178.409 176.870 -0.202 0.000 1.074 82 L CA 4.015 58.570 54.840 -0.476 0.000 0.745 82 L CB -0.152 41.841 42.059 -0.109 0.000 0.898 82 L HN 0.493 8.489 8.230 -0.391 0.000 0.433 83 K N -1.537 118.771 120.400 -0.154 0.000 2.147 83 K HA -0.333 3.964 4.320 -0.038 0.000 0.205 83 K C 2.090 178.648 176.600 -0.071 0.000 1.049 83 K CA 3.000 59.240 56.287 -0.078 0.000 0.936 83 K CB -0.216 32.242 32.500 -0.070 0.000 0.722 83 K HN 0.422 8.435 8.250 -0.206 0.114 0.446 84 T N 0.784 115.283 114.554 -0.091 0.000 2.737 84 T HA -0.258 4.082 4.350 -0.017 0.000 0.265 84 T C 1.930 176.579 174.700 -0.084 0.000 1.038 84 T CA 4.867 66.932 62.100 -0.059 0.000 1.144 84 T CB -0.154 68.685 68.868 -0.048 0.000 0.866 84 T HN -0.241 7.839 8.240 -0.124 0.085 0.434 85 H N 1.901 120.826 119.070 -0.241 0.000 2.421 85 H HA -0.193 4.268 4.556 -0.157 0.000 0.298 85 H C 1.750 177.027 175.328 -0.084 0.000 1.087 85 H CA 3.203 59.124 56.048 -0.212 0.000 1.330 85 H CB -0.202 29.309 29.762 -0.419 0.000 1.388 85 H HN 0.307 8.356 8.280 -0.192 0.116 0.526 86 T N 2.186 116.622 114.554 -0.196 0.000 2.720 86 T HA -0.388 3.919 4.350 -0.073 0.000 0.268 86 T C 2.044 176.680 174.700 -0.106 0.000 1.037 86 T CA 5.120 67.157 62.100 -0.105 0.000 1.144 86 T CB -0.486 68.379 68.868 -0.004 0.000 0.864 86 T HN 0.317 8.275 8.240 -0.099 0.223 0.444 87 R N -0.060 120.385 120.500 -0.093 0.000 2.189 87 R HA -0.219 4.100 4.340 -0.035 0.000 0.223 87 R C 1.884 178.133 176.300 -0.086 0.000 1.092 87 R CA 3.181 59.247 56.100 -0.056 0.000 0.989 87 R CB -0.368 29.924 30.300 -0.014 0.000 0.876 87 R HN -0.453 7.646 8.270 -0.091 0.117 0.457 88 T N -0.136 114.309 114.554 -0.181 0.000 2.867 88 T HA -0.232 4.044 4.350 -0.125 0.000 0.268 88 T C 1.238 175.808 174.700 -0.216 0.000 1.057 88 T CA 3.923 65.891 62.100 -0.220 0.000 1.136 88 T CB -0.129 68.547 68.868 -0.320 0.000 0.874 88 T HN -0.350 7.583 8.240 -0.245 0.160 0.466 89 H N -1.105 117.845 119.070 -0.199 0.000 2.525 89 H HA 0.122 4.627 4.556 -0.084 0.000 0.275 89 H C 1.434 176.717 175.328 -0.075 0.000 0.984 89 H CA 1.815 57.790 56.048 -0.123 0.000 1.264 89 H CB 0.566 30.249 29.762 -0.132 0.000 1.432 89 H HN -0.481 7.530 8.280 -0.227 0.133 0.549 90 T N -1.842 112.735 114.554 0.040 0.000 3.081 90 T HA 0.053 4.415 4.350 0.020 0.000 0.250 90 T C 0.594 175.291 174.700 -0.005 0.000 1.100 90 T CA 1.192 63.300 62.100 0.013 0.000 1.038 90 T CB 0.730 69.597 68.868 -0.002 0.000 0.962 90 T HN -0.172 7.967 8.240 0.002 0.102 0.516 91 G N 1.363 110.155 108.800 -0.013 0.000 2.180 91 G HA2 -0.456 3.485 3.960 -0.031 0.000 0.263 91 G HA3 -0.456 3.491 3.960 -0.021 0.000 0.263 91 G C -0.879 174.002 174.900 -0.032 0.000 0.989 91 G CA 0.585 45.670 45.100 -0.025 0.000 0.692 91 G HN -0.382 7.849 8.290 -0.017 0.049 0.526 92 E N 1.044 121.227 120.200 -0.028 0.000 1.944 92 E HA -0.175 4.150 4.350 -0.041 0.000 0.272 92 E C -1.469 175.119 176.600 -0.021 0.000 1.195 92 E CA 0.108 56.489 56.400 -0.032 0.000 0.926 92 E CB -0.250 29.433 29.700 -0.029 0.000 1.051 92 E HN -0.576 7.717 8.360 -0.025 0.052 0.404 93 K N 6.384 126.762 120.400 -0.037 0.000 2.562 93 K HA 0.491 4.878 4.320 0.060 -0.032 0.206 93 K C -1.917 174.649 176.600 -0.057 0.000 1.033 93 K CA -2.673 53.604 56.287 -0.016 0.000 1.029 93 K CB -0.171 32.288 32.500 -0.069 0.000 1.393 93 K HN -0.355 7.863 8.250 -0.053 0.000 0.539 94 P HA 0.062 4.383 4.420 -0.165 0.000 0.240 94 P C -0.212 176.918 177.300 -0.282 0.000 1.190 94 P CA 0.753 63.697 63.100 -0.259 0.000 0.781 94 P CB 0.384 31.840 31.700 -0.406 0.000 0.931 95 F N 1.503 121.476 119.950 0.039 0.000 2.626 95 F HA 0.086 4.660 4.527 0.080 0.000 0.353 95 F C -0.738 175.122 175.800 0.100 0.000 1.230 95 F CA -0.862 57.190 58.000 0.087 0.000 1.298 95 F CB -1.911 37.163 39.000 0.123 0.000 1.670 95 F HN -0.016 8.293 8.300 0.096 0.049 0.633 96 S N 2.324 118.119 115.700 0.159 0.000 2.562 96 S HA 0.238 4.942 4.470 0.053 -0.203 0.275 96 S C -0.259 174.481 174.600 0.233 0.000 1.281 96 S CA -0.063 58.209 58.200 0.119 0.000 1.045 96 S CB 1.398 64.628 63.200 0.050 0.000 0.962 96 S HN -0.289 8.033 8.310 0.087 0.041 0.503 97 C N 3.556 123.020 119.300 0.273 0.000 2.657 97 C HA 0.016 4.884 4.460 0.680 0.000 0.404 97 C C 0.137 175.399 174.990 0.454 0.000 1.291 97 C CA -0.183 59.153 59.018 0.530 0.000 2.218 97 C CB 0.600 28.742 27.740 0.670 0.000 2.687 97 C HN 0.649 8.795 8.230 0.164 0.183 0.634 98 R N 2.073 122.894 120.500 0.536 0.000 2.437 98 R HA 0.194 4.658 4.340 0.206 0.000 0.257 98 R C -0.214 176.193 176.300 0.177 0.000 0.927 98 R CA -1.057 55.202 56.100 0.265 0.000 1.078 98 R CB -0.062 30.336 30.300 0.163 0.000 1.161 98 R HN 0.392 9.164 8.270 0.838 0.000 0.529 99 W N 1.512 122.851 121.300 0.064 0.000 2.123 99 W HA -0.020 4.575 4.660 -0.109 0.000 0.351 99 W C -1.304 175.189 176.519 -0.043 0.000 1.292 99 W CA -0.407 56.894 57.345 -0.074 0.000 1.263 99 W CB -0.957 28.340 29.460 -0.272 0.000 1.165 99 W HN -0.572 8.001 8.180 0.739 0.051 0.590 100 P HA -0.020 4.423 4.420 0.038 0.000 0.244 100 P C -1.716 175.641 177.300 0.094 0.000 1.211 100 P CA 0.826 63.964 63.100 0.063 0.000 0.760 100 P CB 0.145 31.856 31.700 0.018 0.000 0.961 101 S N -4.274 111.509 115.700 0.138 0.000 2.891 101 S HA 0.062 4.594 4.470 0.103 0.000 0.141 101 S C -1.615 173.080 174.600 0.159 0.000 0.993 101 S CA 0.495 58.767 58.200 0.121 0.000 1.051 101 S CB -0.591 62.666 63.200 0.094 0.000 1.657 101 S HN -0.483 7.817 8.310 0.193 0.126 0.482 102 C N 0.822 120.238 119.300 0.194 0.000 3.310 102 C HA 0.133 4.727 4.460 0.223 0.000 0.174 102 C C -0.865 174.239 174.990 0.190 0.000 2.626 102 C CA 0.831 60.002 59.018 0.255 0.000 0.955 102 C CB 0.591 28.605 27.740 0.458 0.000 1.308 102 C HN 0.434 8.769 8.230 0.174 0.000 0.688 103 Q N -0.662 119.275 119.800 0.229 0.000 2.406 103 Q HA -0.387 4.273 4.340 0.188 -0.208 0.236 103 Q C -1.022 174.999 176.000 0.035 0.000 0.799 103 Q CA 0.740 56.629 55.803 0.143 0.000 1.286 103 Q CB -2.249 26.544 28.738 0.090 0.000 1.615 103 Q HN 0.437 8.909 8.270 0.336 0.000 0.621 104 K N -0.114 120.280 120.400 -0.010 0.000 2.489 104 K HA -0.256 3.921 4.320 -0.238 0.000 0.278 104 K C -0.981 175.343 176.600 -0.460 0.000 1.000 104 K CA 1.623 57.753 56.287 -0.262 0.000 1.012 104 K CB 0.555 32.860 32.500 -0.324 0.000 0.903 104 K HN -0.709 7.551 8.250 0.111 0.057 0.485 105 K N 1.657 121.664 120.400 -0.656 0.000 2.164 105 K HA 0.318 4.644 4.320 -0.273 -0.170 0.258 105 K C -1.481 174.522 176.600 -0.995 0.000 0.951 105 K CA -1.468 54.494 56.287 -0.541 0.000 0.844 105 K CB 2.241 34.582 32.500 -0.265 0.000 1.099 105 K HN -0.026 7.877 8.250 -0.578 0.000 0.435 106 F N -0.800 119.165 119.950 0.024 0.000 2.620 106 F HA 0.354 4.882 4.527 0.000 0.000 0.320 106 F C -0.742 175.182 175.800 0.206 0.000 1.069 106 F CA -1.730 56.301 58.000 0.051 0.000 0.953 106 F CB 4.174 43.163 39.000 -0.018 0.000 1.322 106 F HN 0.297 8.522 8.300 0.097 0.133 0.479 107 A N -1.022 121.990 122.820 0.320 0.000 2.308 107 A HA 0.365 4.964 4.320 0.333 -0.079 0.217 107 A C -1.114 176.706 177.584 0.393 0.000 1.216 107 A CA -0.273 51.953 52.037 0.314 0.000 0.864 107 A CB 0.906 19.981 19.000 0.125 0.000 0.902 107 A HN 0.323 8.762 8.150 0.259 -0.133 0.499 108 R N -2.381 118.218 120.500 0.164 0.000 2.621 108 R HA 0.397 4.606 4.340 -0.219 0.000 0.284 108 R C 0.003 175.635 176.300 -1.113 0.000 0.998 108 R CA -1.350 54.554 56.100 -0.327 0.000 0.895 108 R CB 3.994 34.193 30.300 -0.168 0.000 1.195 108 R HN -0.593 7.749 8.270 0.230 0.066 0.450 109 S N 6.170 120.821 115.700 -1.748 0.000 2.359 109 S HA -0.421 2.878 4.470 -1.953 0.000 0.224 109 S C 0.843 175.080 174.600 -0.605 0.000 1.035 109 S CA 3.699 61.044 58.200 -1.425 0.000 1.018 109 S CB -0.463 62.316 63.200 -0.703 0.000 0.876 109 S HN 0.797 8.336 8.310 -1.285 0.000 0.448 110 D N 0.220 120.371 120.400 -0.415 0.000 2.178 110 D HA -0.160 4.353 4.640 -0.212 0.000 0.202 110 D C 2.098 178.218 176.300 -0.300 0.000 0.974 110 D CA 2.799 56.641 54.000 -0.264 0.000 0.841 110 D CB -1.086 39.607 40.800 -0.179 0.000 0.953 110 D HN 0.502 8.630 8.370 -0.403 0.000 0.478 111 E N -0.091 119.900 120.200 -0.349 0.000 2.077 111 E HA -0.269 3.865 4.350 -0.361 0.000 0.193 111 E C 2.281 178.415 176.600 -0.777 0.000 0.989 111 E CA 2.682 58.819 56.400 -0.437 0.000 0.800 111 E CB -0.298 29.244 29.700 -0.263 0.000 0.746 111 E HN -0.104 7.923 8.360 -0.358 0.118 0.452 112 L N 0.365 121.187 121.223 -0.668 0.000 2.083 112 L HA -0.302 3.426 4.340 -1.020 0.000 0.209 112 L C 1.512 178.088 176.870 -0.490 0.000 1.083 112 L CA 3.120 57.584 54.840 -0.627 0.000 0.752 112 L CB -0.321 41.607 42.059 -0.218 0.000 0.899 112 L HN -0.181 7.749 8.230 -0.499 0.000 0.433 113 V N -0.054 119.679 119.914 -0.303 0.000 2.287 113 V HA -0.639 3.504 4.120 0.038 0.000 0.248 113 V C 1.992 178.017 176.094 -0.116 0.000 1.053 113 V CA 4.820 67.054 62.300 -0.110 0.000 1.027 113 V CB -0.309 31.464 31.823 -0.084 0.000 0.646 113 V HN 0.155 8.074 8.190 -0.321 0.078 0.447 114 R N -1.248 119.128 120.500 -0.208 0.000 2.073 114 R HA -0.423 3.836 4.340 -0.135 0.000 0.234 114 R C 1.970 178.121 176.300 -0.249 0.000 1.134 114 R CA 3.401 59.384 56.100 -0.196 0.000 0.952 114 R CB -0.170 30.006 30.300 -0.205 0.000 0.850 114 R HN 0.100 8.214 8.270 -0.260 0.000 0.433 115 H N -0.700 118.095 119.070 -0.458 0.000 2.319 115 H HA -0.297 4.017 4.556 -0.402 0.000 0.297 115 H C 3.161 178.295 175.328 -0.324 0.000 1.097 115 H CA 3.629 59.391 56.048 -0.476 0.000 1.285 115 H CB -0.116 29.178 29.762 -0.780 0.000 1.368 115 H HN 0.056 8.066 8.280 -0.451 0.000 0.495 116 H N -1.834 116.970 119.070 -0.443 0.000 2.421 116 H HA -0.127 4.181 4.556 -0.415 0.000 0.298 116 H C 2.405 177.586 175.328 -0.246 0.000 1.087 116 H CA 2.140 58.036 56.048 -0.253 0.000 1.330 116 H CB -0.733 29.148 29.762 0.198 0.000 1.388 116 H HN 0.485 8.551 8.280 -0.177 0.108 0.526 117 N N -0.389 118.266 118.700 -0.076 0.000 2.459 117 N HA -0.186 4.556 4.740 0.003 0.000 0.181 117 N C 0.785 176.191 175.510 -0.174 0.000 1.046 117 N CA 2.094 55.099 53.050 -0.074 0.000 0.904 117 N CB -0.159 38.295 38.487 -0.055 0.000 0.964 117 N HN -0.318 7.862 8.380 -0.097 0.142 0.444 118 M N -1.688 117.712 119.600 -0.334 0.000 2.492 118 M HA -0.114 4.229 4.480 -0.229 0.000 0.262 118 M C -0.057 175.997 176.300 -0.409 0.000 1.090 118 M CA 0.554 55.638 55.300 -0.359 0.000 1.110 118 M CB 0.355 32.702 32.600 -0.422 0.000 1.407 118 M HN -0.331 7.511 8.290 -0.435 0.187 0.470 119 H N 0.000 118.731 119.070 -0.565 0.000 2.539 119 H HA 0.000 4.202 4.556 -0.590 0.000 0.296 119 H CA 0.000 55.577 56.048 -0.785 0.000 1.023 119 H CB 0.000 28.620 29.762 -1.903 0.000 1.292 119 H HN 0.000 7.777 8.280 -0.543 0.177 0.496