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 1q59_1_A DATA FIRST_RESID 1 DATA SEQUENCE MAYSTREILL ALCIRDSRVH GNGTLHPVLE LAARETPLRL SPEDTVVLRY DATA SEQUENCE HVLLEEIIER NSETFTETWN RFITHTEHVD LDFNSVFLEI FHRGDPSLGR DATA SEQUENCE ALAWMAWCMH ACRTLCCNQS TPYYVVDLSV RGMLEASEGL DGWIHQQGGW DATA SEQUENCE STLIEDNIPG DDDDLEHHHH HH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.497 4.480 0.029 0.000 0.227 1 M C 0.000 176.321 176.300 0.035 0.000 1.140 1 M CA 0.000 55.317 55.300 0.028 0.000 0.988 1 M CB 0.000 32.618 32.600 0.030 0.000 1.302 2 A N 2.326 125.177 122.820 0.052 0.000 2.513 2 A HA 0.242 4.607 4.320 0.075 0.000 0.296 2 A C -2.487 175.169 177.584 0.120 0.000 1.052 2 A CA -0.212 51.864 52.037 0.065 0.000 0.714 2 A CB 1.660 20.669 19.000 0.015 0.000 1.279 2 A HN 0.474 8.657 8.150 0.055 0.000 0.397 3 Y N 3.671 123.976 120.300 0.008 0.000 2.680 3 Y HA -0.127 4.441 4.550 0.030 0.000 0.356 3 Y C -0.698 175.221 175.900 0.031 0.000 1.122 3 Y CA -1.696 56.421 58.100 0.029 0.000 1.509 3 Y CB -0.383 38.105 38.460 0.047 0.000 1.245 3 Y HN 0.101 8.524 8.280 0.239 0.000 0.513 4 S N 6.528 122.113 115.700 -0.192 0.000 2.558 4 S HA -0.097 4.282 4.470 -0.150 0.000 0.288 4 S C 1.525 175.925 174.600 -0.334 0.000 1.318 4 S CA 0.253 58.325 58.200 -0.214 0.000 1.056 4 S CB 1.064 64.184 63.200 -0.133 0.000 0.853 4 S HN -0.031 8.227 8.310 -0.086 0.000 0.505 5 T N 6.678 121.125 114.554 -0.178 0.000 3.035 5 T HA -0.227 4.181 4.350 0.096 0.000 0.268 5 T C 0.804 175.573 174.700 0.115 0.000 1.109 5 T CA 2.061 64.152 62.100 -0.015 0.000 1.119 5 T CB -0.341 68.381 68.868 -0.245 0.000 0.900 5 T HN 0.797 8.937 8.240 -0.166 0.000 0.503 6 R N 0.872 121.363 120.500 -0.015 0.000 2.293 6 R HA -0.345 4.036 4.340 0.069 0.000 0.219 6 R C 1.188 177.479 176.300 -0.015 0.000 1.091 6 R CA 2.526 58.632 56.100 0.011 0.000 1.004 6 R CB -0.288 30.000 30.300 -0.020 0.000 0.865 6 R HN -0.677 7.492 8.270 -0.077 0.054 0.469 7 E N -0.578 119.558 120.200 -0.107 0.000 2.060 7 E HA -0.176 4.161 4.350 -0.022 0.000 0.189 7 E C 2.587 179.195 176.600 0.013 0.000 0.974 7 E CA 2.358 58.706 56.400 -0.086 0.000 0.808 7 E CB -0.650 28.878 29.700 -0.288 0.000 0.768 7 E HN -0.595 7.566 8.360 -0.210 0.073 0.453 8 I N 0.341 120.939 120.570 0.047 0.000 2.300 8 I HA -0.437 3.759 4.170 0.043 0.000 0.252 8 I C 1.474 177.524 176.117 -0.111 0.000 1.119 8 I CA 3.342 64.643 61.300 0.001 0.000 1.384 8 I CB -0.307 37.630 38.000 -0.104 0.000 1.062 8 I HN -0.754 7.486 8.210 0.049 0.000 0.426 9 L N -2.565 118.626 121.223 -0.053 0.000 2.217 9 L HA -0.181 4.062 4.340 -0.162 0.000 0.211 9 L C 2.332 179.176 176.870 -0.043 0.000 1.107 9 L CA 2.741 57.535 54.840 -0.077 0.000 0.783 9 L CB -0.800 41.248 42.059 -0.017 0.000 0.919 9 L HN -0.553 7.673 8.230 0.035 0.025 0.442 10 L N -0.164 121.053 121.223 -0.010 0.000 1.989 10 L HA -0.435 3.905 4.340 0.001 0.000 0.211 10 L C 1.309 178.189 176.870 0.016 0.000 1.071 10 L CA 3.156 58.001 54.840 0.008 0.000 0.749 10 L CB -0.761 41.315 42.059 0.029 0.000 0.890 10 L HN 0.032 8.100 8.230 -0.001 0.161 0.431 11 A N -1.110 121.725 122.820 0.026 0.000 1.841 11 A HA -0.322 4.040 4.320 0.070 0.000 0.214 11 A C 2.046 179.701 177.584 0.118 0.000 1.195 11 A CA 3.026 55.099 52.037 0.061 0.000 0.611 11 A CB -0.771 18.259 19.000 0.050 0.000 0.835 11 A HN -0.698 7.465 8.150 0.021 0.000 0.443 12 L N -2.257 118.981 121.223 0.025 0.000 2.151 12 L HA -0.319 4.185 4.340 0.272 0.000 0.215 12 L C 2.632 179.542 176.870 0.067 0.000 1.084 12 L CA 2.586 57.466 54.840 0.067 0.000 0.764 12 L CB -0.512 41.458 42.059 -0.149 0.000 0.891 12 L HN -0.403 7.781 8.230 -0.077 0.000 0.435 13 C N -1.445 117.855 119.300 0.001 0.000 2.508 13 C HA -0.448 3.970 4.460 -0.070 0.000 0.280 13 C C 1.523 176.486 174.990 -0.046 0.000 1.262 13 C CA 3.900 62.895 59.018 -0.039 0.000 1.706 13 C CB 0.063 27.782 27.740 -0.034 0.000 2.078 13 C HN -0.417 7.677 8.230 -0.004 0.134 0.480 14 I N 1.125 121.686 120.570 -0.015 0.000 2.248 14 I HA -0.506 3.639 4.170 -0.041 0.000 0.248 14 I C 1.771 177.838 176.117 -0.083 0.000 1.107 14 I CA 3.638 64.919 61.300 -0.032 0.000 1.373 14 I CB -0.115 37.884 38.000 -0.002 0.000 1.055 14 I HN -0.559 7.655 8.210 0.008 0.000 0.418 15 R N -1.029 119.419 120.500 -0.087 0.000 2.066 15 R HA -0.349 3.844 4.340 -0.245 0.000 0.232 15 R C 1.726 177.846 176.300 -0.300 0.000 1.131 15 R CA 2.754 58.699 56.100 -0.259 0.000 0.955 15 R CB -0.897 29.014 30.300 -0.649 0.000 0.851 15 R HN -0.109 8.162 8.270 0.021 0.011 0.432 16 D N -2.886 117.365 120.400 -0.248 0.000 2.271 16 D HA -0.251 4.154 4.640 -0.392 0.000 0.207 16 D C 1.586 177.536 176.300 -0.584 0.000 0.983 16 D CA 2.888 56.673 54.000 -0.358 0.000 0.878 16 D CB -0.320 40.351 40.800 -0.215 0.000 0.920 16 D HN -0.335 7.891 8.370 -0.139 0.061 0.479 17 S N -1.582 113.912 115.700 -0.342 0.000 2.388 17 S HA -0.159 4.153 4.470 -0.264 0.000 0.223 17 S C 1.741 176.202 174.600 -0.231 0.000 1.034 17 S CA 2.278 60.328 58.200 -0.250 0.000 0.963 17 S CB 0.090 63.230 63.200 -0.101 0.000 0.827 17 S HN -0.539 7.456 8.310 -0.239 0.171 0.481 18 R N 0.429 120.800 120.500 -0.215 0.000 2.066 18 R HA -0.234 4.055 4.340 -0.084 0.000 0.232 18 R C 1.490 177.691 176.300 -0.166 0.000 1.131 18 R CA 2.768 58.779 56.100 -0.148 0.000 0.955 18 R CB -0.008 30.213 30.300 -0.132 0.000 0.851 18 R HN -0.765 7.291 8.270 -0.217 0.084 0.432 19 V N -5.422 114.322 119.914 -0.283 0.000 2.428 19 V HA -0.354 3.711 4.120 -0.091 0.000 0.255 19 V C 1.102 177.223 176.094 0.045 0.000 1.080 19 V CA 3.024 65.218 62.300 -0.177 0.000 1.083 19 V CB -0.184 31.497 31.823 -0.237 0.000 0.665 19 V HN 0.070 8.049 8.190 -0.351 0.000 0.461 20 H N -3.429 115.639 119.070 -0.003 0.000 2.750 20 H HA 0.166 4.756 4.556 0.056 0.000 0.263 20 H C 0.661 176.111 175.328 0.204 0.000 0.964 20 H CA -0.907 55.191 56.048 0.083 0.000 1.205 20 H CB 1.005 30.756 29.762 -0.020 0.000 1.454 20 H HN -0.794 7.164 8.280 -0.481 0.033 0.503 21 G N 1.126 110.035 108.800 0.182 0.000 3.090 21 G HA2 -0.192 3.778 3.960 0.061 0.000 0.259 21 G HA3 -0.192 3.908 3.960 0.047 -0.111 0.259 21 G C -1.299 173.612 174.900 0.019 0.000 0.797 21 G CA -0.597 44.554 45.100 0.086 0.000 2.032 21 G HN -0.489 7.704 8.290 0.055 0.130 0.614 22 N N 1.096 119.815 118.700 0.032 0.000 2.394 22 N HA -0.326 4.421 4.740 0.010 0.000 0.277 22 N C 1.022 176.520 175.510 -0.021 0.000 1.346 22 N CA 0.701 53.755 53.050 0.007 0.000 0.910 22 N CB -0.754 37.741 38.487 0.015 0.000 1.201 22 N HN -0.278 8.083 8.380 0.074 0.063 0.488 23 G N 4.447 113.234 108.800 -0.021 0.000 2.454 23 G HA2 -0.339 3.607 3.960 -0.024 0.000 0.225 23 G HA3 -0.339 3.602 3.960 -0.031 0.000 0.225 23 G C -0.833 174.045 174.900 -0.036 0.000 1.138 23 G CA 0.346 45.428 45.100 -0.029 0.000 0.667 23 G HN 0.390 8.671 8.290 -0.016 0.000 0.512 24 T N 2.298 116.823 114.554 -0.048 0.000 2.909 24 T HA 0.107 4.431 4.350 -0.044 0.000 0.299 24 T C -1.472 173.196 174.700 -0.054 0.000 1.073 24 T CA -0.777 61.291 62.100 -0.054 0.000 0.999 24 T CB 2.982 71.808 68.868 -0.069 0.000 1.098 24 T HN -0.730 7.379 8.240 -0.052 0.099 0.477 25 L N 3.964 125.162 121.223 -0.042 0.000 2.667 25 L HA -0.229 4.099 4.340 -0.020 0.000 0.278 25 L C -0.422 176.442 176.870 -0.009 0.000 1.217 25 L CA 1.029 55.854 54.840 -0.025 0.000 0.935 25 L CB 0.281 42.325 42.059 -0.026 0.000 1.193 25 L HN 0.201 8.406 8.230 -0.041 0.000 0.493 26 H N 9.530 128.565 119.070 -0.059 0.000 2.886 26 H HA 0.152 4.677 4.556 -0.051 0.000 0.329 26 H C -1.106 174.201 175.328 -0.035 0.000 1.044 26 H CA -0.992 55.034 56.048 -0.037 0.000 1.456 26 H CB 1.240 31.014 29.762 0.021 0.000 1.464 26 H HN -0.107 8.234 8.280 0.102 0.000 0.573 27 P HA -0.085 4.460 4.420 0.057 -0.091 0.250 27 P C -0.763 176.750 177.300 0.355 0.000 1.239 27 P CA 0.690 63.854 63.100 0.108 0.000 0.756 27 P CB 0.204 31.701 31.700 -0.338 0.000 1.013 28 V N -1.393 118.736 119.914 0.358 0.000 3.219 28 V HA -0.093 4.173 4.120 0.243 0.000 0.377 28 V C -1.114 175.005 176.094 0.041 0.000 1.275 28 V CA 0.464 62.859 62.300 0.159 0.000 1.366 28 V CB -1.064 30.697 31.823 -0.103 0.000 1.282 28 V HN -0.810 7.508 8.190 0.440 0.136 0.487 29 L N -3.709 117.551 121.223 0.063 0.000 2.007 29 L HA 0.035 4.381 4.340 0.011 0.000 0.414 29 L C -1.486 175.393 176.870 0.015 0.000 1.055 29 L CA -0.135 54.711 54.840 0.009 0.000 1.079 29 L CB -1.399 40.631 42.059 -0.048 0.000 1.151 29 L HN -0.381 7.809 8.230 0.115 0.110 0.418 30 E N 0.077 120.301 120.200 0.040 0.000 2.132 30 E HA -0.003 4.354 4.350 0.012 0.000 0.193 30 E C -0.144 176.469 176.600 0.022 0.000 0.951 30 E CA 1.303 57.719 56.400 0.026 0.000 0.843 30 E CB 0.420 30.137 29.700 0.029 0.000 0.807 30 E HN -0.081 8.320 8.360 0.069 0.000 0.467 31 L N 1.593 122.836 121.223 0.033 0.000 2.475 31 L HA 0.462 4.813 4.340 0.018 0.000 0.253 31 L C 0.173 177.059 176.870 0.027 0.000 1.483 31 L CA -0.629 54.227 54.840 0.027 0.000 0.869 31 L CB -1.406 40.670 42.059 0.028 0.000 1.086 31 L HN -0.281 7.979 8.230 0.049 0.000 0.514 32 A N 3.272 126.103 122.820 0.018 0.000 1.835 32 A HA -0.258 4.073 4.320 0.020 0.000 0.215 32 A C -1.014 176.576 177.584 0.010 0.000 1.199 32 A CA 1.868 53.913 52.037 0.013 0.000 0.615 32 A CB 0.548 19.549 19.000 0.003 0.000 0.838 32 A HN 0.484 8.642 8.150 0.014 0.000 0.444 33 A N -4.378 118.445 122.820 0.006 0.000 2.330 33 A HA 0.057 4.382 4.320 0.007 0.000 0.303 33 A C -2.617 174.969 177.584 0.004 0.000 1.150 33 A CA 0.231 52.270 52.037 0.004 0.000 0.921 33 A CB -0.527 18.472 19.000 -0.001 0.000 1.462 33 A HN 0.007 8.160 8.150 0.005 0.000 0.388 34 R N 0.541 121.045 120.500 0.006 0.000 4.298 34 R HA 0.083 4.427 4.340 0.006 0.000 0.306 34 R C -2.454 173.852 176.300 0.009 0.000 0.944 34 R CA -0.212 55.893 56.100 0.007 0.000 1.258 34 R CB 0.644 30.949 30.300 0.007 0.000 1.313 34 R HN -0.181 8.094 8.270 0.008 0.000 0.502 35 E N 4.359 124.565 120.200 0.009 0.000 2.191 35 E HA 0.154 4.510 4.350 0.010 0.000 0.274 35 E C -0.380 176.226 176.600 0.010 0.000 0.948 35 E CA -0.373 56.032 56.400 0.009 0.000 0.802 35 E CB 0.984 30.689 29.700 0.009 0.000 1.137 35 E HN 0.049 8.414 8.360 0.008 0.000 0.397 36 T N 2.748 117.308 114.554 0.010 0.000 3.936 36 T HA -0.169 4.187 4.350 0.010 0.000 0.373 36 T C -1.995 172.713 174.700 0.013 0.000 0.759 36 T CA -0.072 62.035 62.100 0.011 0.000 2.004 36 T CB -0.815 68.058 68.868 0.010 0.000 1.792 36 T HN 0.284 8.529 8.240 0.009 0.000 0.827 37 P HA 0.071 4.504 4.420 0.020 0.000 0.269 37 P C -0.919 176.393 177.300 0.021 0.000 1.209 37 P CA -0.524 62.588 63.100 0.019 0.000 0.776 37 P CB 0.382 32.093 31.700 0.019 0.000 0.876 38 L N 2.444 123.683 121.223 0.027 0.000 2.426 38 L HA 0.091 4.446 4.340 0.024 0.000 0.271 38 L C 0.143 177.031 176.870 0.030 0.000 1.169 38 L CA -0.357 54.500 54.840 0.030 0.000 0.836 38 L CB 1.167 43.249 42.059 0.038 0.000 1.112 38 L HN -0.044 8.204 8.230 0.030 0.000 0.465 39 R N 3.476 123.991 120.500 0.025 0.000 2.507 39 R HA -0.177 4.175 4.340 0.020 0.000 0.341 39 R C -1.123 175.192 176.300 0.026 0.000 0.960 39 R CA 0.706 56.819 56.100 0.021 0.000 1.032 39 R CB -1.113 29.196 30.300 0.015 0.000 0.933 39 R HN 0.225 8.509 8.270 0.022 0.000 0.418 40 L N 4.571 125.812 121.223 0.029 0.000 2.582 40 L HA 0.391 4.745 4.340 0.023 0.000 0.257 40 L C -1.509 175.379 176.870 0.030 0.000 0.974 40 L CA -0.635 54.225 54.840 0.033 0.000 0.851 40 L CB 2.693 44.787 42.059 0.059 0.000 1.424 40 L HN -0.015 8.231 8.230 0.027 0.000 0.412 41 S N 4.848 120.562 115.700 0.023 0.000 2.464 41 S HA 0.370 4.853 4.470 0.021 0.000 0.313 41 S C -1.993 172.627 174.600 0.034 0.000 1.078 41 S CA -1.864 56.349 58.200 0.021 0.000 1.096 41 S CB 0.218 63.424 63.200 0.009 0.000 1.032 41 S HN 0.102 8.422 8.310 0.016 0.000 0.498 42 P HA 0.063 4.528 4.420 0.075 0.000 0.235 42 P C -1.358 175.979 177.300 0.060 0.000 1.720 42 P CA 0.210 63.346 63.100 0.059 0.000 1.003 42 P CB -1.087 30.645 31.700 0.054 0.000 1.968 43 E N -1.390 118.840 120.200 0.049 0.000 3.083 43 E HA 0.054 4.450 4.350 0.077 0.000 0.168 43 E C -1.038 175.580 176.600 0.030 0.000 0.934 43 E CA -0.634 55.796 56.400 0.050 0.000 1.361 43 E CB 0.799 30.522 29.700 0.038 0.000 1.032 43 E HN 0.277 8.594 8.360 0.041 0.067 0.447 44 D N 0.728 121.143 120.400 0.024 0.000 2.278 44 D HA -0.108 4.525 4.640 -0.010 0.000 0.240 44 D C 1.494 177.793 176.300 -0.003 0.000 1.347 44 D CA 0.752 54.754 54.000 0.004 0.000 0.945 44 D CB 1.405 42.212 40.800 0.012 0.000 1.175 44 D HN -0.280 8.114 8.370 0.040 0.000 0.519 45 T N 1.011 115.557 114.554 -0.013 0.000 2.814 45 T HA -0.137 4.200 4.350 -0.022 0.000 0.254 45 T C 1.579 176.246 174.700 -0.056 0.000 1.037 45 T CA 3.670 65.754 62.100 -0.026 0.000 1.143 45 T CB 0.076 68.929 68.868 -0.025 0.000 0.866 45 T HN 0.104 8.335 8.240 -0.015 0.000 0.431 46 V N -0.712 119.179 119.914 -0.039 0.000 2.282 46 V HA -0.355 3.657 4.120 -0.181 0.000 0.249 46 V C 1.261 177.275 176.094 -0.134 0.000 1.057 46 V CA 3.604 65.848 62.300 -0.093 0.000 1.032 46 V CB -1.585 30.266 31.823 0.047 0.000 0.645 46 V HN -0.571 7.759 8.190 -0.001 -0.141 0.447 47 V N -3.489 116.386 119.914 -0.064 0.000 2.233 47 V HA -0.411 3.630 4.120 -0.132 0.000 0.247 47 V C 1.619 177.488 176.094 -0.376 0.000 1.050 47 V CA 2.966 65.172 62.300 -0.156 0.000 1.010 47 V CB -0.742 31.031 31.823 -0.083 0.000 0.637 47 V HN -0.728 7.460 8.190 -0.003 0.000 0.444 48 L N -0.232 120.863 121.223 -0.214 0.000 1.989 48 L HA -0.310 4.025 4.340 -0.008 0.000 0.211 48 L C 2.134 178.947 176.870 -0.095 0.000 1.071 48 L CA 2.561 57.348 54.840 -0.087 0.000 0.749 48 L CB -0.295 41.800 42.059 0.059 0.000 0.890 48 L HN -0.951 7.220 8.230 -0.099 0.000 0.431 49 R N -2.281 118.148 120.500 -0.118 0.000 2.134 49 R HA -0.499 3.801 4.340 -0.068 0.000 0.248 49 R C 2.487 178.702 176.300 -0.141 0.000 1.143 49 R CA 3.303 59.322 56.100 -0.136 0.000 0.957 49 R CB -0.714 29.457 30.300 -0.214 0.000 0.867 49 R HN 0.317 8.412 8.270 -0.117 0.105 0.441 50 Y N -1.806 118.372 120.300 -0.204 0.000 2.128 50 Y HA -0.364 4.100 4.550 -0.142 0.000 0.284 50 Y C 2.398 178.224 175.900 -0.124 0.000 1.154 50 Y CA 3.759 61.728 58.100 -0.218 0.000 1.149 50 Y CB -1.126 37.106 38.460 -0.380 0.000 0.976 50 Y HN 0.143 8.275 8.280 -0.249 -0.002 0.505 51 H N -1.728 117.397 119.070 0.092 0.000 2.325 51 H HA -0.402 4.163 4.556 0.016 0.000 0.293 51 H C 2.619 177.976 175.328 0.048 0.000 1.106 51 H CA 3.269 59.339 56.048 0.036 0.000 1.247 51 H CB -0.400 29.365 29.762 0.006 0.000 1.359 51 H HN -0.586 7.408 8.280 -0.356 0.073 0.488 52 V N -0.906 119.104 119.914 0.161 0.000 2.232 52 V HA -0.488 3.696 4.120 0.107 0.000 0.239 52 V C 1.525 177.684 176.094 0.107 0.000 1.040 52 V CA 3.568 65.933 62.300 0.107 0.000 0.996 52 V CB 0.090 31.952 31.823 0.065 0.000 0.638 52 V HN -0.684 7.500 8.190 0.136 0.088 0.453 53 L N -1.477 119.797 121.223 0.085 0.000 2.113 53 L HA -0.448 3.943 4.340 0.085 0.000 0.221 53 L C 2.688 179.661 176.870 0.173 0.000 1.084 53 L CA 3.347 58.251 54.840 0.107 0.000 0.787 53 L CB -1.539 40.564 42.059 0.073 0.000 0.893 53 L HN -0.055 8.200 8.230 0.042 0.000 0.440 54 L N -3.170 118.172 121.223 0.198 0.000 2.023 54 L HA -0.364 4.122 4.340 0.244 0.000 0.205 54 L C 2.029 179.026 176.870 0.211 0.000 1.073 54 L CA 3.467 58.432 54.840 0.209 0.000 0.745 54 L CB -1.594 40.554 42.059 0.149 0.000 0.900 54 L HN 0.323 8.652 8.230 0.196 0.019 0.435 55 E N -1.179 119.119 120.200 0.164 0.000 2.033 55 E HA -0.461 3.992 4.350 0.173 0.000 0.199 55 E C 2.431 179.114 176.600 0.138 0.000 1.011 55 E CA 3.351 59.840 56.400 0.149 0.000 0.815 55 E CB -0.904 28.862 29.700 0.110 0.000 0.755 55 E HN 0.100 8.550 8.360 0.150 0.000 0.451 56 E N -1.540 118.729 120.200 0.115 0.000 2.086 56 E HA -0.349 4.043 4.350 0.070 0.000 0.205 56 E C 2.591 179.251 176.600 0.101 0.000 1.027 56 E CA 2.517 58.972 56.400 0.091 0.000 0.830 56 E CB -0.566 29.183 29.700 0.082 0.000 0.751 56 E HN -0.265 8.162 8.360 0.112 0.000 0.456 57 I N -0.620 120.042 120.570 0.153 0.000 2.113 57 I HA -0.541 3.719 4.170 0.149 0.000 0.242 57 I C 2.271 178.437 176.117 0.082 0.000 1.064 57 I CA 3.764 65.172 61.300 0.180 0.000 1.320 57 I CB -0.123 38.077 38.000 0.334 0.000 1.028 57 I HN -0.810 7.506 8.210 0.173 -0.001 0.406 58 I N -1.411 119.230 120.570 0.118 0.000 2.185 58 I HA -0.591 3.369 4.170 -0.350 0.000 0.246 58 I C 1.280 177.337 176.117 -0.101 0.000 1.088 58 I CA 3.869 65.147 61.300 -0.036 0.000 1.347 58 I CB -0.460 37.660 38.000 0.200 0.000 1.041 58 I HN -0.484 7.869 8.210 0.238 0.000 0.415 59 E N -3.407 116.780 120.200 -0.022 0.000 2.187 59 E HA -0.317 4.005 4.350 -0.045 0.000 0.199 59 E C 2.022 178.588 176.600 -0.057 0.000 1.004 59 E CA 2.507 58.887 56.400 -0.033 0.000 0.813 59 E CB -0.741 28.959 29.700 0.001 0.000 0.736 59 E HN -0.354 7.919 8.360 0.029 0.105 0.468 60 R N -3.378 117.085 120.500 -0.062 0.000 2.103 60 R HA 0.140 4.452 4.340 -0.047 0.000 0.212 60 R C 0.858 177.082 176.300 -0.126 0.000 1.107 60 R CA 0.608 56.671 56.100 -0.061 0.000 1.025 60 R CB 1.110 31.403 30.300 -0.012 0.000 0.929 60 R HN 0.035 8.115 8.270 -0.047 0.162 0.456 61 N N -0.699 117.852 118.700 -0.249 0.000 2.908 61 N HA 0.207 4.798 4.740 -0.247 0.000 0.316 61 N C -0.288 174.762 175.510 -0.766 0.000 1.619 61 N CA -0.433 52.354 53.050 -0.439 0.000 1.045 61 N CB 0.288 38.519 38.487 -0.428 0.000 1.357 61 N HN -0.029 8.210 8.380 -0.236 0.000 0.501 62 S N 1.718 117.177 115.700 -0.402 0.000 2.335 62 S HA -0.252 3.972 4.470 -0.369 0.025 0.217 62 S C 1.207 175.692 174.600 -0.192 0.000 1.032 62 S CA 2.936 60.939 58.200 -0.329 0.000 0.985 62 S CB 0.144 63.194 63.200 -0.249 0.000 0.896 62 S HN -0.327 7.763 8.310 -0.268 0.060 0.445 63 E N 0.682 120.807 120.200 -0.125 0.000 2.072 63 E HA -0.292 4.051 4.350 -0.012 0.000 0.191 63 E C 2.374 178.999 176.600 0.041 0.000 0.985 63 E CA 3.135 59.517 56.400 -0.029 0.000 0.801 63 E CB -0.445 29.240 29.700 -0.025 0.000 0.750 63 E HN 0.435 8.712 8.360 -0.137 0.000 0.452 64 T N 2.406 116.966 114.554 0.009 0.000 2.597 64 T HA -0.407 4.004 4.350 0.102 0.000 0.267 64 T C 1.966 176.844 174.700 0.297 0.000 1.053 64 T CA 4.363 66.531 62.100 0.113 0.000 1.165 64 T CB -0.197 68.724 68.868 0.089 0.000 0.863 64 T HN -0.041 8.157 8.240 -0.071 0.000 0.427 65 F N 0.012 120.047 119.950 0.141 0.000 2.011 65 F HA -0.042 4.764 4.527 0.083 -0.230 0.296 65 F C 3.102 178.926 175.800 0.040 0.000 1.144 65 F CA 0.748 58.821 58.000 0.123 0.000 1.185 65 F CB -1.482 37.705 39.000 0.312 0.000 0.961 65 F HN -0.766 7.617 8.300 0.138 0.000 0.485 66 T N 0.273 115.044 114.554 0.362 0.000 2.699 66 T HA -0.464 3.998 4.350 0.186 0.000 0.268 66 T C 2.311 177.145 174.700 0.224 0.000 1.036 66 T CA 4.663 66.916 62.100 0.255 0.000 1.147 66 T CB -0.380 68.639 68.868 0.251 0.000 0.862 66 T HN -0.740 7.772 8.240 0.453 0.000 0.446 67 E N 0.918 121.227 120.200 0.181 0.000 2.048 67 E HA -0.379 4.045 4.350 0.124 0.000 0.202 67 E C 2.534 179.231 176.600 0.162 0.000 1.021 67 E CA 3.358 59.844 56.400 0.144 0.000 0.825 67 E CB -0.372 29.395 29.700 0.112 0.000 0.756 67 E HN 0.554 8.898 8.360 0.176 0.121 0.454 68 T N -2.106 112.551 114.554 0.173 0.000 2.699 68 T HA -0.375 4.058 4.350 0.139 0.000 0.268 68 T C 1.575 176.431 174.700 0.260 0.000 1.036 68 T CA 4.204 66.404 62.100 0.166 0.000 1.147 68 T CB -0.428 68.518 68.868 0.131 0.000 0.862 68 T HN -0.170 8.178 8.240 0.181 0.000 0.446 69 W N 2.749 124.088 121.300 0.064 0.000 2.338 69 W HA -0.387 4.606 4.660 0.555 0.000 0.304 69 W C 1.441 178.043 176.519 0.139 0.000 1.212 69 W CA 3.105 60.586 57.345 0.226 0.000 1.264 69 W CB 0.138 29.555 29.460 -0.071 0.000 1.142 69 W HN -0.481 7.789 8.180 0.299 0.090 0.512 70 N N -1.405 117.425 118.700 0.216 0.000 2.270 70 N HA -0.354 4.371 4.740 -0.024 0.000 0.181 70 N C 0.981 176.443 175.510 -0.080 0.000 1.016 70 N CA 2.862 55.931 53.050 0.032 0.000 0.870 70 N CB -0.549 37.987 38.487 0.081 0.000 0.979 70 N HN -0.363 8.084 8.380 0.279 0.101 0.431 71 R N -0.474 120.034 120.500 0.013 0.000 2.096 71 R HA -0.329 4.001 4.340 -0.015 0.000 0.229 71 R C 2.308 178.577 176.300 -0.052 0.000 1.134 71 R CA 2.978 59.080 56.100 0.004 0.000 0.917 71 R CB 0.067 30.406 30.300 0.064 0.000 0.832 71 R HN -0.502 7.713 8.270 0.094 0.112 0.430 72 F N -3.603 116.264 119.950 -0.138 0.000 2.307 72 F HA -0.269 4.184 4.527 -0.123 0.000 0.301 72 F C 0.254 175.963 175.800 -0.152 0.000 1.076 72 F CA 0.751 58.649 58.000 -0.171 0.000 1.383 72 F CB -0.271 38.569 39.000 -0.266 0.000 1.055 72 F HN -0.747 7.721 8.300 0.281 0.000 0.526 73 I N 0.144 119.939 120.570 -1.290 0.000 3.160 73 I HA -0.374 2.888 4.170 -1.514 0.000 0.311 73 I C 0.194 176.008 176.117 -0.504 0.000 1.218 73 I CA 1.123 61.789 61.300 -1.058 0.000 1.440 73 I CB 0.551 38.187 38.000 -0.606 0.000 1.310 73 I HN -0.588 6.863 8.210 -1.045 0.131 0.575 74 T N 2.643 116.919 114.554 -0.463 0.000 4.329 74 T HA -0.255 3.888 4.350 -0.345 0.000 0.348 74 T C -1.485 173.095 174.700 -0.201 0.000 0.756 74 T CA 0.588 62.501 62.100 -0.313 0.000 2.005 74 T CB -1.690 67.066 68.868 -0.187 0.000 1.869 74 T HN 0.394 8.253 8.240 -0.636 0.000 0.957 75 H N -0.254 118.723 119.070 -0.155 0.000 2.748 75 H HA 0.355 4.893 4.556 -0.030 0.000 0.315 75 H C 0.686 176.016 175.328 0.004 0.000 1.429 75 H CA -2.221 53.799 56.048 -0.047 0.000 1.444 75 H CB 0.570 30.329 29.762 -0.006 0.000 1.827 75 H HN -0.763 6.849 8.280 -1.113 0.000 0.754 76 T N 0.178 114.855 114.554 0.205 0.000 2.929 76 T HA -0.253 4.152 4.350 0.093 0.000 0.271 76 T C -0.067 174.711 174.700 0.131 0.000 1.085 76 T CA 1.710 63.902 62.100 0.153 0.000 1.125 76 T CB -0.060 68.920 68.868 0.187 0.000 0.874 76 T HN 0.116 8.525 8.240 0.282 0.000 0.494 77 E N -5.232 115.093 120.200 0.208 0.000 3.413 77 E HA -0.360 4.153 4.350 0.272 0.000 0.300 77 E C -1.299 175.152 176.600 -0.247 0.000 0.891 77 E CA 1.702 58.124 56.400 0.037 0.000 1.050 77 E CB -2.149 27.438 29.700 -0.189 0.000 1.534 77 E HN -0.078 8.516 8.360 0.464 0.044 0.436 78 H N -4.227 115.004 119.070 0.269 0.000 3.591 78 H HA 0.154 4.778 4.556 0.113 0.000 0.232 78 H C -1.644 173.742 175.328 0.096 0.000 1.304 78 H CA -0.066 56.067 56.048 0.141 0.000 1.112 78 H CB 0.871 30.688 29.762 0.091 0.000 2.909 78 H HN 0.082 8.502 8.280 0.315 0.050 0.595 79 V N 0.549 120.601 119.914 0.229 0.000 2.891 79 V HA 0.129 4.287 4.120 0.064 0.000 0.304 79 V C -0.304 175.879 176.094 0.148 0.000 1.171 79 V CA -2.180 60.207 62.300 0.145 0.000 0.943 79 V CB 2.954 34.881 31.823 0.174 0.000 1.037 79 V HN -0.483 7.923 8.190 0.359 0.000 0.427 80 D N 4.547 124.941 120.400 -0.010 0.000 2.363 80 D HA 0.066 4.691 4.640 -0.027 0.000 0.226 80 D C 1.209 177.631 176.300 0.204 0.000 1.020 80 D CA 1.885 55.904 54.000 0.032 0.000 0.892 80 D CB 0.039 40.782 40.800 -0.096 0.000 0.900 80 D HN 0.349 8.697 8.370 -0.036 0.000 0.531 81 L N -3.796 117.528 121.223 0.168 0.000 2.187 81 L HA -0.148 4.278 4.340 0.076 -0.040 0.213 81 L C 0.143 177.066 176.870 0.089 0.000 1.100 81 L CA 3.170 58.076 54.840 0.110 0.000 0.765 81 L CB -1.503 40.613 42.059 0.095 0.000 0.904 81 L HN -0.243 7.994 8.230 0.160 0.088 0.437 82 D N -1.907 118.564 120.400 0.118 0.000 2.380 82 D HA -0.084 4.507 4.640 -0.083 0.000 0.212 82 D C 1.824 177.962 176.300 -0.270 0.000 1.021 82 D CA 2.011 55.958 54.000 -0.088 0.000 0.884 82 D CB -0.097 40.625 40.800 -0.131 0.000 1.001 82 D HN -0.573 7.925 8.370 0.263 0.030 0.506 83 F N 0.731 120.565 119.950 -0.193 0.000 2.234 83 F HA -0.302 4.111 4.527 -0.190 0.000 0.299 83 F C 1.737 177.469 175.800 -0.113 0.000 1.087 83 F CA 3.584 61.507 58.000 -0.129 0.000 1.340 83 F CB -0.459 38.540 39.000 -0.002 0.000 1.031 83 F HN -0.501 8.039 8.300 0.571 0.103 0.500 84 N N -0.917 117.833 118.700 0.084 0.000 2.173 84 N HA -0.286 4.487 4.740 0.054 0.000 0.184 84 N C 1.831 177.338 175.510 -0.006 0.000 1.025 84 N CA 3.204 56.281 53.050 0.046 0.000 0.852 84 N CB -1.057 37.462 38.487 0.053 0.000 0.998 84 N HN -0.204 8.228 8.380 0.119 0.019 0.427 85 S N 1.800 117.456 115.700 -0.074 0.000 2.382 85 S HA -0.270 4.153 4.470 -0.077 0.000 0.228 85 S C 2.067 176.548 174.600 -0.199 0.000 1.027 85 S CA 3.624 61.751 58.200 -0.122 0.000 0.991 85 S CB -0.144 62.977 63.200 -0.132 0.000 0.823 85 S HN -0.443 7.828 8.310 -0.064 0.000 0.469 86 V N 1.697 121.400 119.914 -0.352 0.000 2.427 86 V HA -0.487 3.336 4.120 -0.494 0.000 0.248 86 V C 1.155 177.243 176.094 -0.011 0.000 1.051 86 V CA 3.977 66.005 62.300 -0.453 0.000 1.048 86 V CB -0.254 30.922 31.823 -1.078 0.000 0.666 86 V HN -0.173 7.773 8.190 -0.387 0.011 0.456 87 F N 0.885 120.705 119.950 -0.215 0.000 2.120 87 F HA -0.362 3.841 4.527 -0.541 0.000 0.300 87 F C -0.028 175.669 175.800 -0.173 0.000 1.095 87 F CA 2.793 60.510 58.000 -0.472 0.000 1.249 87 F CB -0.077 38.395 39.000 -0.880 0.000 0.995 87 F HN -0.722 7.481 8.300 -0.007 0.093 0.480 88 L N -6.614 114.429 121.223 -0.299 0.000 2.354 88 L HA -0.101 4.046 4.340 -0.323 0.000 0.212 88 L C 2.423 179.337 176.870 0.074 0.000 1.091 88 L CA 1.061 55.787 54.840 -0.189 0.000 0.828 88 L CB -0.049 41.961 42.059 -0.082 0.000 0.973 88 L HN -0.863 7.259 8.230 -0.165 0.009 0.461 89 E N 0.688 120.895 120.200 0.012 0.000 2.299 89 E HA -0.066 4.341 4.350 0.095 0.000 0.193 89 E C 2.724 179.385 176.600 0.102 0.000 0.998 89 E CA 1.695 58.115 56.400 0.034 0.000 0.851 89 E CB 0.640 30.277 29.700 -0.104 0.000 0.795 89 E HN -0.006 8.234 8.360 -0.059 0.085 0.492 90 I N -3.813 116.812 120.570 0.092 0.000 2.381 90 I HA -0.391 3.765 4.170 -0.024 0.000 0.255 90 I C -0.523 175.666 176.117 0.120 0.000 1.140 90 I CA 3.271 64.595 61.300 0.040 0.000 1.404 90 I CB -0.394 37.625 38.000 0.031 0.000 1.075 90 I HN 0.644 8.770 8.210 0.089 0.137 0.433 91 F N -3.934 116.028 119.950 0.020 0.000 2.772 91 F HA 0.271 4.913 4.527 0.192 0.000 0.316 91 F C -0.318 175.580 175.800 0.164 0.000 1.114 91 F CA -2.769 55.288 58.000 0.096 0.000 1.191 91 F CB 0.405 39.413 39.000 0.015 0.000 1.065 91 F HN -0.959 7.540 8.300 0.405 0.043 0.534 92 H N 5.434 124.424 119.070 -0.133 0.000 2.368 92 H HA -0.463 3.939 4.556 -0.256 0.000 0.292 92 H C 1.375 176.485 175.328 -0.363 0.000 1.117 92 H CA 4.640 60.541 56.048 -0.245 0.000 1.231 92 H CB 0.159 29.877 29.762 -0.073 0.000 1.359 92 H HN -0.012 8.252 8.280 0.236 0.158 0.490 93 R N -2.498 117.848 120.500 -0.257 0.000 2.133 93 R HA -0.322 3.891 4.340 -0.212 0.000 0.247 93 R C 1.658 177.742 176.300 -0.360 0.000 1.151 93 R CA 1.827 57.789 56.100 -0.230 0.000 0.971 93 R CB -0.276 30.003 30.300 -0.035 0.000 0.866 93 R HN 0.090 8.314 8.270 -0.049 0.017 0.447 94 G N -1.294 107.131 108.800 -0.626 0.000 2.645 94 G HA2 -0.310 3.541 3.960 -0.182 0.000 0.179 94 G HA3 -0.310 3.147 3.960 -0.838 0.000 0.179 94 G C -0.666 173.987 174.900 -0.413 0.000 1.515 94 G CA 1.234 46.010 45.100 -0.540 0.000 0.852 94 G HN 0.159 7.812 8.290 -0.832 0.137 0.481 95 D N -2.795 117.387 120.400 -0.363 0.000 1.018 95 D HA -0.022 4.501 4.640 -0.194 0.000 0.859 95 D C -2.282 174.109 176.300 0.151 0.000 0.471 95 D CA 0.333 54.275 54.000 -0.097 0.000 1.249 95 D CB -0.761 40.018 40.800 -0.036 0.000 1.833 95 D HN 0.077 8.138 8.370 -0.515 0.000 0.363 96 P HA 0.023 4.547 4.420 0.175 0.000 0.272 96 P C 0.170 177.674 177.300 0.339 0.000 1.239 96 P CA 0.012 63.296 63.100 0.306 0.000 0.807 96 P CB 0.629 32.519 31.700 0.316 0.000 0.951 97 S N -0.590 115.191 115.700 0.135 0.000 2.339 97 S HA -0.181 4.328 4.470 0.066 0.000 0.213 97 S C 1.782 176.371 174.600 -0.019 0.000 1.033 97 S CA 2.601 60.803 58.200 0.004 0.000 0.950 97 S CB 0.249 63.352 63.200 -0.161 0.000 0.893 97 S HN 0.345 8.710 8.310 0.092 0.000 0.492 98 L N 1.953 123.176 121.223 0.001 0.000 2.265 98 L HA -0.020 4.673 4.340 0.449 -0.083 0.215 98 L C 2.191 179.150 176.870 0.148 0.000 1.117 98 L CA 1.529 56.509 54.840 0.234 0.000 0.782 98 L CB -0.385 41.817 42.059 0.238 0.000 0.914 98 L HN 0.019 8.243 8.230 -0.011 0.000 0.441 99 G N -2.339 106.376 108.800 -0.143 0.000 2.499 99 G HA2 -0.322 3.482 3.960 -0.259 0.000 0.221 99 G HA3 -0.322 3.176 3.960 -0.769 0.000 0.221 99 G C 0.958 174.925 174.900 -1.555 0.000 1.109 99 G CA 1.781 46.464 45.100 -0.696 0.000 0.749 99 G HN 0.401 8.641 8.290 -0.004 0.048 0.568 100 R N 0.440 120.284 120.500 -1.093 0.000 2.115 100 R HA -0.299 3.579 4.340 -0.770 0.000 0.226 100 R C 2.029 178.161 176.300 -0.279 0.000 1.100 100 R CA 2.898 58.638 56.100 -0.600 0.000 0.980 100 R CB -0.212 30.048 30.300 -0.067 0.000 0.875 100 R HN -0.385 7.557 8.270 -0.461 0.051 0.445 101 A N 0.197 122.921 122.820 -0.160 0.000 1.970 101 A HA -0.108 4.302 4.320 0.151 0.000 0.216 101 A C 1.449 179.088 177.584 0.091 0.000 1.170 101 A CA 2.888 54.920 52.037 -0.007 0.000 0.645 101 A CB -0.352 18.651 19.000 0.004 0.000 0.816 101 A HN 0.300 8.346 8.150 0.060 0.140 0.447 102 L N -2.432 118.808 121.223 0.027 0.000 2.109 102 L HA -0.328 3.982 4.340 -0.051 0.000 0.207 102 L C 2.161 179.057 176.870 0.044 0.000 1.086 102 L CA 2.853 57.711 54.840 0.030 0.000 0.760 102 L CB -0.380 41.752 42.059 0.122 0.000 0.910 102 L HN -0.351 7.787 8.230 -0.012 0.085 0.437 103 A N -1.209 121.586 122.820 -0.042 0.000 1.873 103 A HA -0.282 3.969 4.320 -0.116 0.000 0.215 103 A C 1.203 178.830 177.584 0.071 0.000 1.186 103 A CA 3.014 54.929 52.037 -0.202 0.000 0.616 103 A CB -0.752 17.925 19.000 -0.537 0.000 0.823 103 A HN -0.169 7.881 8.150 -0.166 0.000 0.442 104 W N -0.933 120.408 121.300 0.068 0.000 2.290 104 W HA -0.504 4.592 4.660 0.725 0.000 0.328 104 W C 1.715 178.153 176.519 -0.134 0.000 1.272 104 W CA 3.725 61.219 57.345 0.249 0.000 1.262 104 W CB -0.001 29.610 29.460 0.251 0.000 1.151 104 W HN -0.460 7.914 8.180 0.323 0.000 0.473 105 M N -4.705 114.879 119.600 -0.026 0.000 2.374 105 M HA -0.410 3.843 4.480 -0.380 0.000 0.264 105 M C 1.438 177.595 176.300 -0.238 0.000 1.067 105 M CA 2.872 58.038 55.300 -0.224 0.000 1.103 105 M CB -0.580 31.926 32.600 -0.156 0.000 1.402 105 M HN -0.566 7.821 8.290 0.162 0.000 0.444 106 A N -0.019 122.746 122.820 -0.092 0.000 1.832 106 A HA -0.159 4.197 4.320 0.060 0.000 0.214 106 A C 2.106 179.680 177.584 -0.017 0.000 1.242 106 A CA 2.250 54.329 52.037 0.070 0.000 0.603 106 A CB -0.466 18.744 19.000 0.349 0.000 0.902 106 A HN -0.883 7.083 8.150 -0.024 0.169 0.455 107 W N -0.856 120.411 121.300 -0.055 0.000 2.321 107 W HA -0.291 4.156 4.660 -0.355 0.000 0.306 107 W C 1.591 177.624 176.519 -0.811 0.000 1.217 107 W CA 1.823 58.972 57.345 -0.325 0.000 1.257 107 W CB -1.608 27.810 29.460 -0.070 0.000 1.145 107 W HN 0.483 8.702 8.180 0.240 0.105 0.509 108 C N 0.362 118.453 119.300 -2.014 0.000 2.410 108 C HA -0.580 2.249 4.460 -2.718 0.000 0.281 108 C C 1.988 176.367 174.990 -1.019 0.000 1.318 108 C CA 3.465 61.270 59.018 -2.022 0.000 1.776 108 C CB -0.597 26.071 27.740 -1.787 0.000 1.942 108 C HN -0.148 6.872 8.230 -2.007 0.006 0.508 109 M N 1.297 120.504 119.600 -0.655 0.000 2.064 109 M HA -0.253 4.293 4.480 -0.194 -0.182 0.260 109 M C 1.639 177.791 176.300 -0.246 0.000 1.073 109 M CA 3.896 59.023 55.300 -0.289 0.000 1.124 109 M CB 0.397 32.930 32.600 -0.112 0.000 1.326 109 M HN -0.164 7.576 8.290 -0.638 0.168 0.410 110 H N -1.862 117.132 119.070 -0.127 0.000 2.423 110 H HA -0.189 4.303 4.556 -0.107 0.000 0.297 110 H C 1.596 176.823 175.328 -0.168 0.000 1.075 110 H CA 2.027 58.015 56.048 -0.100 0.000 1.342 110 H CB -1.154 28.607 29.762 -0.002 0.000 1.395 110 H HN -0.601 7.492 8.280 -0.312 0.000 0.530 111 A N 0.119 122.681 122.820 -0.430 0.000 1.908 111 A HA -0.324 4.056 4.320 0.099 0.000 0.218 111 A C 1.743 179.129 177.584 -0.329 0.000 1.181 111 A CA 3.627 55.506 52.037 -0.263 0.000 0.627 111 A CB -1.031 17.638 19.000 -0.551 0.000 0.818 111 A HN 0.747 8.147 8.150 -1.042 0.125 0.445 112 C N -2.931 116.076 119.300 -0.489 0.000 2.440 112 C HA -0.371 3.835 4.460 -0.423 0.000 0.278 112 C C 1.870 176.513 174.990 -0.579 0.000 1.295 112 C CA 4.874 63.577 59.018 -0.525 0.000 1.738 112 C CB -0.431 26.979 27.740 -0.551 0.000 1.987 112 C HN -0.495 7.388 8.230 -0.567 0.007 0.492 113 R N 0.749 120.898 120.500 -0.585 0.000 2.075 113 R HA -0.208 3.812 4.340 -0.532 0.000 0.232 113 R C 2.014 178.200 176.300 -0.191 0.000 1.126 113 R CA 3.247 59.098 56.100 -0.414 0.000 0.963 113 R CB -0.570 29.586 30.300 -0.240 0.000 0.858 113 R HN -0.571 7.303 8.270 -0.513 0.089 0.435 114 T N 3.267 117.748 114.554 -0.122 0.000 2.812 114 T HA -0.281 4.042 4.350 -0.045 0.000 0.264 114 T C 2.187 176.846 174.700 -0.068 0.000 1.042 114 T CA 4.590 66.656 62.100 -0.057 0.000 1.140 114 T CB -0.132 68.735 68.868 -0.002 0.000 0.870 114 T HN -0.065 8.106 8.240 -0.115 0.000 0.445 115 L N 0.221 121.379 121.223 -0.108 0.000 2.131 115 L HA -0.241 4.057 4.340 -0.071 0.000 0.210 115 L C 1.460 178.278 176.870 -0.088 0.000 1.092 115 L CA 3.278 58.055 54.840 -0.105 0.000 0.759 115 L CB -0.139 41.827 42.059 -0.155 0.000 0.903 115 L HN -0.129 8.014 8.230 -0.145 0.000 0.435 116 C N -4.150 115.091 119.300 -0.098 0.000 2.519 116 C HA -0.063 4.407 4.460 0.017 0.000 0.281 116 C C 1.435 176.431 174.990 0.010 0.000 1.331 116 C CA 1.224 60.233 59.018 -0.014 0.000 1.725 116 C CB 0.350 28.102 27.740 0.020 0.000 2.079 116 C HN -0.443 7.676 8.230 -0.157 0.017 0.496 117 C N 0.602 119.891 119.300 -0.020 0.000 2.413 117 C HA -0.306 4.161 4.460 0.012 0.000 0.277 117 C C 0.315 175.307 174.990 0.004 0.000 1.228 117 C CA 3.150 62.166 59.018 -0.004 0.000 1.731 117 C CB -0.335 27.395 27.740 -0.017 0.000 2.042 117 C HN 0.003 8.087 8.230 -0.058 0.111 0.468 118 N N -0.945 117.753 118.700 -0.003 0.000 2.492 118 N HA 0.012 4.756 4.740 0.008 0.000 0.262 118 N C -0.546 174.974 175.510 0.016 0.000 1.202 118 N CA 0.865 53.919 53.050 0.005 0.000 0.926 118 N CB 0.674 39.162 38.487 0.001 0.000 1.078 118 N HN -0.572 7.798 8.380 -0.016 0.000 0.454 119 Q N 1.579 121.393 119.800 0.024 0.000 3.025 119 Q HA -0.096 4.270 4.340 0.044 0.000 0.251 119 Q C -1.139 174.889 176.000 0.046 0.000 1.348 119 Q CA 0.664 56.489 55.803 0.038 0.000 0.906 119 Q CB -2.186 26.573 28.738 0.035 0.000 1.764 119 Q HN 0.473 8.755 8.270 0.020 0.000 0.535 120 S N 0.649 116.375 115.700 0.042 0.000 2.552 120 S HA 0.293 4.814 4.470 0.084 0.000 0.272 120 S C -0.909 173.694 174.600 0.005 0.000 1.150 120 S CA -1.024 57.205 58.200 0.048 0.000 0.849 120 S CB 2.461 65.680 63.200 0.032 0.000 1.113 120 S HN -0.066 8.201 8.310 0.032 0.062 0.458 121 T N -2.463 112.092 114.554 0.001 0.000 3.897 121 T HA -0.354 3.696 4.350 -0.500 0.000 0.353 121 T C -1.588 172.850 174.700 -0.437 0.000 0.758 121 T CA 0.623 62.531 62.100 -0.321 0.000 1.883 121 T CB -1.032 67.681 68.868 -0.259 0.000 1.849 121 T HN 0.552 8.858 8.240 0.110 0.000 0.791 122 P HA -0.268 4.207 4.420 0.092 0.000 0.284 122 P C 0.425 177.727 177.300 0.003 0.000 1.592 122 P CA 0.520 63.668 63.100 0.080 0.000 1.265 122 P CB 0.143 32.038 31.700 0.326 0.000 0.876 123 Y N -0.283 120.078 120.300 0.103 0.000 2.332 123 Y HA -0.523 4.111 4.550 0.141 0.000 0.283 123 Y C 1.002 176.957 175.900 0.092 0.000 1.186 123 Y CA 3.114 61.297 58.100 0.139 0.000 1.266 123 Y CB -0.819 37.763 38.460 0.203 0.000 0.973 123 Y HN 0.374 8.873 8.280 0.365 0.000 0.548 124 Y N -5.176 114.959 120.300 -0.275 0.000 2.242 124 Y HA -0.354 3.788 4.550 -0.681 0.000 0.291 124 Y C 0.826 176.592 175.900 -0.222 0.000 1.137 124 Y CA 2.018 59.903 58.100 -0.357 0.000 1.181 124 Y CB -0.829 37.559 38.460 -0.120 0.000 0.989 124 Y HN -0.339 8.027 8.280 0.235 0.056 0.527 125 V N 0.453 119.792 119.914 -0.958 0.000 2.535 125 V HA -0.417 3.490 4.120 -0.355 0.000 0.246 125 V C 1.515 177.430 176.094 -0.299 0.000 1.045 125 V CA 3.909 65.854 62.300 -0.591 0.000 1.058 125 V CB 0.342 31.766 31.823 -0.665 0.000 0.689 125 V HN -0.075 7.233 8.190 -1.314 0.093 0.461 126 V N 0.543 120.279 119.914 -0.297 0.000 2.343 126 V HA -0.558 3.435 4.120 -0.211 0.000 0.247 126 V C 1.571 177.557 176.094 -0.179 0.000 1.051 126 V CA 4.713 66.884 62.300 -0.215 0.000 1.036 126 V CB -0.579 31.131 31.823 -0.189 0.000 0.654 126 V HN -0.724 7.256 8.190 -0.350 0.000 0.451 127 D N -0.991 119.279 120.400 -0.217 0.000 2.117 127 D HA -0.271 4.323 4.640 -0.075 0.000 0.198 127 D C 1.910 178.151 176.300 -0.097 0.000 0.982 127 D CA 3.129 57.030 54.000 -0.165 0.000 0.828 127 D CB 0.116 40.700 40.800 -0.359 0.000 0.967 127 D HN -0.492 7.688 8.370 -0.317 0.000 0.464 128 L N -1.058 120.106 121.223 -0.097 0.000 1.990 128 L HA -0.546 3.803 4.340 0.015 0.000 0.213 128 L C 2.010 178.925 176.870 0.076 0.000 1.072 128 L CA 3.452 58.297 54.840 0.008 0.000 0.755 128 L CB -0.130 41.955 42.059 0.042 0.000 0.889 128 L HN -0.669 7.460 8.230 -0.168 0.000 0.432 129 S N -1.001 114.751 115.700 0.086 0.000 2.359 129 S HA -0.386 4.307 4.470 0.371 0.000 0.224 129 S C 2.045 176.712 174.600 0.111 0.000 1.035 129 S CA 3.997 62.306 58.200 0.182 0.000 1.018 129 S CB -0.268 62.989 63.200 0.095 0.000 0.876 129 S HN -0.527 7.795 8.310 0.020 0.000 0.448 130 V N 1.576 121.482 119.914 -0.012 0.000 2.332 130 V HA -0.496 3.582 4.120 -0.070 0.000 0.248 130 V C 1.788 177.896 176.094 0.023 0.000 1.055 130 V CA 4.273 66.553 62.300 -0.034 0.000 1.038 130 V CB -0.956 30.826 31.823 -0.068 0.000 0.651 130 V HN -0.623 7.468 8.190 -0.051 0.068 0.450 131 R N -0.688 119.829 120.500 0.028 0.000 2.094 131 R HA -0.413 3.937 4.340 0.017 0.000 0.239 131 R C 2.795 179.110 176.300 0.024 0.000 1.137 131 R CA 3.902 60.017 56.100 0.024 0.000 0.943 131 R CB -0.423 29.890 30.300 0.021 0.000 0.850 131 R HN 0.443 8.646 8.270 0.020 0.079 0.433 132 G N -2.012 106.816 108.800 0.048 0.000 2.396 132 G HA2 -0.170 3.736 3.960 -0.089 0.000 0.214 132 G HA3 -0.170 3.744 3.960 -0.075 0.000 0.214 132 G C 1.248 176.233 174.900 0.142 0.000 1.166 132 G CA 1.285 46.384 45.100 -0.001 0.000 0.793 132 G HN -0.473 7.869 8.290 0.087 0.000 0.533 133 M N 2.496 122.279 119.600 0.304 0.000 2.065 133 M HA -0.492 4.453 4.480 0.774 0.000 0.259 133 M C 1.880 178.341 176.300 0.268 0.000 1.069 133 M CA 4.326 59.923 55.300 0.495 0.000 1.110 133 M CB 0.067 32.877 32.600 0.349 0.000 1.328 133 M HN 0.469 8.810 8.290 0.279 0.116 0.405 134 L N -1.102 120.193 121.223 0.120 0.000 2.043 134 L HA -0.313 4.056 4.340 0.048 0.000 0.212 134 L C 1.869 178.728 176.870 -0.017 0.000 1.075 134 L CA 3.191 58.054 54.840 0.038 0.000 0.752 134 L CB -0.884 41.180 42.059 0.008 0.000 0.891 134 L HN 0.589 8.748 8.230 0.095 0.129 0.432 135 E N -1.559 118.629 120.200 -0.020 0.000 2.085 135 E HA -0.384 3.935 4.350 -0.052 0.000 0.194 135 E C 2.065 178.593 176.600 -0.119 0.000 0.994 135 E CA 2.884 59.249 56.400 -0.059 0.000 0.801 135 E CB -0.232 29.433 29.700 -0.060 0.000 0.743 135 E HN -0.603 7.675 8.360 0.008 0.087 0.453 136 A N -1.532 121.185 122.820 -0.171 0.000 2.014 136 A HA -0.161 3.990 4.320 -0.282 0.000 0.218 136 A C 2.356 179.586 177.584 -0.591 0.000 1.163 136 A CA 2.373 54.181 52.037 -0.382 0.000 0.652 136 A CB -0.451 18.234 19.000 -0.525 0.000 0.808 136 A HN -0.500 7.504 8.150 -0.089 0.092 0.449 137 S N 0.114 115.552 115.700 -0.437 0.000 2.387 137 S HA -0.391 3.669 4.470 -0.685 0.000 0.230 137 S C 2.251 176.701 174.600 -0.251 0.000 1.035 137 S CA 3.505 61.471 58.200 -0.390 0.000 1.014 137 S CB -0.759 62.372 63.200 -0.115 0.000 0.836 137 S HN 0.012 8.040 8.310 -0.240 0.138 0.466 138 E N 0.550 120.652 120.200 -0.162 0.000 2.267 138 E HA -0.263 4.054 4.350 -0.055 0.000 0.197 138 E C 2.533 179.090 176.600 -0.072 0.000 0.998 138 E CA 2.224 58.573 56.400 -0.086 0.000 0.830 138 E CB -0.897 28.767 29.700 -0.061 0.000 0.751 138 E HN -0.532 7.722 8.360 -0.156 0.012 0.491 139 G N -0.052 108.669 108.800 -0.133 0.000 2.443 139 G HA2 -0.241 3.732 3.960 0.022 0.000 0.219 139 G HA3 -0.241 3.721 3.960 -0.064 -0.041 0.219 139 G C 0.770 175.720 174.900 0.083 0.000 1.131 139 G CA 1.545 46.626 45.100 -0.032 0.000 0.775 139 G HN 0.182 8.147 8.290 -0.238 0.182 0.547 140 L N 0.875 122.090 121.223 -0.014 0.000 2.129 140 L HA -0.438 4.071 4.340 0.282 0.000 0.212 140 L C 1.731 178.707 176.870 0.175 0.000 1.087 140 L CA 3.097 58.022 54.840 0.140 0.000 0.757 140 L CB -0.656 41.471 42.059 0.113 0.000 0.896 140 L HN 0.001 7.987 8.230 -0.164 0.146 0.434 141 D N -0.894 119.558 120.400 0.087 0.000 2.242 141 D HA -0.376 4.261 4.640 -0.005 0.000 0.193 141 D C 2.299 178.641 176.300 0.070 0.000 1.005 141 D CA 3.274 57.298 54.000 0.040 0.000 0.856 141 D CB -0.726 40.088 40.800 0.023 0.000 1.001 141 D HN -0.621 7.761 8.370 0.056 0.021 0.452 142 G N -1.293 107.574 108.800 0.112 0.000 2.408 142 G HA2 -0.263 3.784 3.960 0.145 0.000 0.215 142 G HA3 -0.263 3.760 3.960 0.106 0.000 0.215 142 G C 0.980 175.969 174.900 0.147 0.000 1.156 142 G CA 1.053 46.230 45.100 0.128 0.000 0.793 142 G HN -0.222 8.131 8.290 0.105 0.000 0.535 143 W N 1.982 123.279 121.300 -0.006 0.000 2.350 143 W HA -0.350 4.295 4.660 -0.025 0.000 0.289 143 W C 0.736 177.228 176.519 -0.046 0.000 1.215 143 W CA 3.191 60.530 57.345 -0.010 0.000 1.236 143 W CB 0.180 29.676 29.460 0.060 0.000 1.130 143 W HN -0.040 8.344 8.180 0.341 0.000 0.541 144 I N -3.649 117.150 120.570 0.381 0.000 2.333 144 I HA -0.403 3.904 4.170 0.230 0.000 0.246 144 I C 1.468 177.542 176.117 -0.073 0.000 1.106 144 I CA 1.585 62.959 61.300 0.124 0.000 1.411 144 I CB -1.072 36.807 38.000 -0.203 0.000 1.082 144 I HN 0.367 8.646 8.210 0.353 0.143 0.420 145 H N 1.680 120.657 119.070 -0.154 0.000 2.289 145 H HA -0.588 3.865 4.556 -0.173 0.000 0.294 145 H C 2.230 177.459 175.328 -0.165 0.000 1.095 145 H CA 3.541 59.497 56.048 -0.154 0.000 1.256 145 H CB 0.299 29.997 29.762 -0.106 0.000 1.359 145 H HN -0.664 7.595 8.280 0.088 0.074 0.487 146 Q N -3.257 116.418 119.800 -0.208 0.000 2.297 146 Q HA -0.297 3.823 4.340 -0.366 0.000 0.208 146 Q C 2.217 178.058 176.000 -0.265 0.000 0.981 146 Q CA 2.108 57.723 55.803 -0.314 0.000 0.876 146 Q CB -0.125 28.404 28.738 -0.350 0.000 0.921 146 Q HN -0.457 7.716 8.270 -0.161 0.000 0.446 147 Q N -3.628 116.012 119.800 -0.268 0.000 2.163 147 Q HA -0.059 4.133 4.340 -0.248 0.000 0.198 147 Q C 1.263 177.204 176.000 -0.099 0.000 0.954 147 Q CA 0.276 55.943 55.803 -0.227 0.000 0.851 147 Q CB 1.056 29.641 28.738 -0.255 0.000 0.928 147 Q HN -0.142 7.774 8.270 -0.258 0.199 0.459 148 G N -3.357 105.404 108.800 -0.065 0.000 2.148 148 G HA2 -0.190 3.780 3.960 0.016 0.000 0.120 148 G HA3 -0.190 3.765 3.960 -0.009 0.000 0.120 148 G C -0.542 174.333 174.900 -0.041 0.000 1.034 148 G CA -0.274 44.815 45.100 -0.018 0.000 0.710 148 G HN -0.119 8.028 8.290 -0.073 0.100 0.495 149 G N -0.626 108.090 108.800 -0.141 0.000 2.955 149 G HA2 -0.397 3.202 3.960 -0.602 0.000 0.604 149 G HA3 -0.397 3.422 3.960 -0.236 0.000 0.604 149 G C -0.176 174.652 174.900 -0.119 0.000 1.572 149 G CA -0.552 44.366 45.100 -0.304 0.000 1.016 149 G HN -0.670 7.533 8.290 -0.146 0.000 0.569 150 W N -0.651 120.756 121.300 0.179 0.000 2.387 150 W HA -0.345 4.499 4.660 0.306 0.000 0.272 150 W C 1.282 177.877 176.519 0.127 0.000 1.224 150 W CA 0.803 58.296 57.345 0.245 0.000 1.210 150 W CB -0.161 29.525 29.460 0.376 0.000 1.125 150 W HN 0.244 7.850 8.180 -0.957 0.000 0.572 151 S N -1.656 114.192 115.700 0.245 0.000 2.428 151 S HA -0.364 4.204 4.470 0.164 0.000 0.240 151 S C 0.844 175.518 174.600 0.122 0.000 1.036 151 S CA 2.960 61.252 58.200 0.153 0.000 1.009 151 S CB -0.589 62.663 63.200 0.086 0.000 0.803 151 S HN -0.155 8.209 8.310 0.162 0.043 0.486 152 T N 0.744 115.380 114.554 0.136 0.000 2.901 152 T HA -0.002 4.398 4.350 0.083 0.000 0.252 152 T C 1.180 175.957 174.700 0.128 0.000 1.035 152 T CA 3.505 65.672 62.100 0.111 0.000 1.142 152 T CB 0.480 69.406 68.868 0.097 0.000 0.869 152 T HN -0.679 7.605 8.240 0.156 0.050 0.442 153 L N 0.101 121.442 121.223 0.197 0.000 2.007 153 L HA -0.114 4.407 4.340 0.155 -0.088 0.205 153 L C 2.117 179.027 176.870 0.067 0.000 1.073 153 L CA 3.054 58.007 54.840 0.188 0.000 0.744 153 L CB -0.151 42.115 42.059 0.344 0.000 0.898 153 L HN -0.535 7.852 8.230 0.262 0.000 0.435 154 I N -2.796 117.774 120.570 0.000 0.000 3.330 154 I HA -0.335 3.597 4.170 -0.398 0.000 0.299 154 I C -1.681 174.385 176.117 -0.086 0.000 1.142 154 I CA 1.309 62.467 61.300 -0.237 0.000 1.406 154 I CB -1.981 35.797 38.000 -0.370 0.000 1.085 154 I HN -0.185 8.037 8.210 0.171 0.090 0.589 155 E N -0.979 119.206 120.200 -0.024 0.000 3.301 155 E HA 0.028 4.367 4.350 -0.018 0.000 0.279 155 E C 0.124 176.731 176.600 0.012 0.000 1.174 155 E CA 0.234 56.633 56.400 -0.002 0.000 1.918 155 E CB 0.836 30.550 29.700 0.023 0.000 2.084 155 E HN 0.247 8.460 8.360 -0.005 0.144 0.951 156 D N -0.995 119.424 120.400 0.031 0.000 2.348 156 D HA -0.014 4.643 4.640 0.028 0.000 0.216 156 D C -0.141 176.185 176.300 0.043 0.000 0.970 156 D CA 1.335 55.356 54.000 0.036 0.000 0.889 156 D CB 0.309 41.135 40.800 0.043 0.000 0.912 156 D HN -0.260 8.134 8.370 0.041 0.000 0.524 157 N N -3.405 115.324 118.700 0.048 0.000 2.771 157 N HA -0.432 4.506 4.740 0.064 -0.159 0.249 157 N C -1.465 174.100 175.510 0.091 0.000 1.069 157 N CA 0.786 53.874 53.050 0.063 0.000 0.688 157 N CB -1.678 36.839 38.487 0.049 0.000 0.928 157 N HN -0.341 8.078 8.380 0.042 -0.013 0.551 158 I N -4.922 115.712 120.570 0.106 0.000 8.706 158 I HA -0.291 3.953 4.170 0.124 0.000 0.126 158 I C -2.119 174.055 176.117 0.095 0.000 1.859 158 I CA -0.073 61.299 61.300 0.120 0.000 2.041 158 I CB -0.218 37.874 38.000 0.153 0.000 3.877 158 I HN -0.567 7.706 8.210 0.106 0.000 0.170 159 P HA 0.113 4.568 4.420 0.057 0.000 0.279 159 P C -1.044 176.296 177.300 0.067 0.000 1.239 159 P CA -0.464 62.676 63.100 0.066 0.000 0.789 159 P CB 0.803 32.537 31.700 0.057 0.000 0.933 160 G N 1.229 110.061 108.800 0.053 0.000 2.739 160 G HA2 0.087 4.076 3.960 0.049 0.000 0.292 160 G HA3 0.087 4.079 3.960 0.053 0.000 0.292 160 G C -1.567 173.352 174.900 0.031 0.000 1.444 160 G CA 0.655 45.783 45.100 0.047 0.000 1.144 160 G HN 0.026 8.343 8.290 0.046 0.000 0.550 161 D N -0.029 120.384 120.400 0.022 0.000 4.570 161 D HA -0.108 4.538 4.640 0.011 0.000 0.218 161 D C -1.548 174.754 176.300 0.004 0.000 1.436 161 D CA -0.080 53.928 54.000 0.012 0.000 0.881 161 D CB -0.010 40.798 40.800 0.013 0.000 1.344 161 D HN -0.134 8.250 8.370 0.023 0.000 0.934 162 D N -0.381 120.018 120.400 -0.001 0.000 2.745 162 D HA 0.042 4.671 4.640 -0.019 0.000 0.221 162 D C -1.756 174.529 176.300 -0.026 0.000 1.237 162 D CA 0.276 54.268 54.000 -0.014 0.000 0.781 162 D CB 1.853 42.648 40.800 -0.009 0.000 1.575 162 D HN -0.597 7.775 8.370 0.004 0.000 0.482 163 D N 2.001 122.372 120.400 -0.048 0.000 1.367 163 D HA -0.102 4.493 4.640 -0.075 0.000 0.758 163 D C -0.659 175.572 176.300 -0.115 0.000 0.713 163 D CA 0.494 54.451 54.000 -0.072 0.000 1.249 163 D CB 0.783 41.551 40.800 -0.053 0.000 1.531 163 D HN 0.059 8.399 8.370 -0.050 0.000 0.449 164 D N -1.270 119.075 120.400 -0.092 0.000 3.824 164 D HA -0.216 4.378 4.640 -0.076 0.000 0.275 164 D C -0.653 175.567 176.300 -0.132 0.000 2.108 164 D CA 0.985 54.922 54.000 -0.105 0.000 1.125 164 D CB -0.052 40.675 40.800 -0.121 0.000 0.951 164 D HN -0.385 7.946 8.370 -0.066 0.000 1.140 165 L N 1.892 123.030 121.223 -0.141 0.000 2.613 165 L HA 0.172 4.408 4.340 -0.173 0.000 0.275 165 L C -1.837 174.931 176.870 -0.170 0.000 1.453 165 L CA 0.191 54.942 54.840 -0.149 0.000 0.725 165 L CB 0.875 42.879 42.059 -0.093 0.000 1.013 165 L HN 0.115 8.269 8.230 -0.127 0.000 0.520 166 E N 1.247 121.298 120.200 -0.250 0.000 2.278 166 E HA 0.337 4.586 4.350 -0.169 0.000 0.272 166 E C -1.326 175.123 176.600 -0.251 0.000 0.890 166 E CA 0.145 56.422 56.400 -0.206 0.000 0.770 166 E CB 1.622 31.250 29.700 -0.120 0.000 1.212 166 E HN 0.107 8.261 8.360 -0.342 0.000 0.415 167 H N -0.188 118.753 119.070 -0.215 0.000 1.790 167 H HA -0.035 4.474 4.556 -0.078 0.000 0.117 167 H C -0.506 174.756 175.328 -0.110 0.000 1.193 167 H CA 0.227 56.190 56.048 -0.143 0.000 0.590 167 H CB 1.469 31.123 29.762 -0.180 0.000 0.363 167 H HN 0.328 8.495 8.280 -0.189 0.000 0.217 168 H N -0.754 118.163 119.070 -0.255 0.000 3.047 168 H HA 0.281 4.643 4.556 -0.324 0.000 0.253 168 H C -0.452 174.387 175.328 -0.815 0.000 1.587 168 H CA -1.128 54.687 56.048 -0.389 0.000 1.652 168 H CB 1.486 31.185 29.762 -0.105 0.000 1.618 168 H HN -0.279 7.870 8.280 -0.218 0.000 0.956 169 H N -2.942 116.109 119.070 -0.032 0.000 3.233 169 H HA 0.411 4.820 4.556 -0.244 0.000 0.232 169 H C -0.304 174.923 175.328 -0.168 0.000 1.322 169 H CA 0.181 56.132 56.048 -0.162 0.000 1.043 169 H CB -0.083 29.620 29.762 -0.098 0.000 2.572 169 H HN 0.376 8.664 8.280 0.014 0.000 0.597 170 H N -0.793 118.299 119.070 0.036 0.000 2.418 170 H HA 0.027 4.559 4.556 -0.040 0.000 0.300 170 H C -0.605 174.648 175.328 -0.124 0.000 1.041 170 H CA 0.284 56.296 56.048 -0.060 0.000 1.364 170 H CB 0.222 29.928 29.762 -0.093 0.000 1.439 170 H HN -0.026 7.874 8.280 -0.633 0.000 0.540 171 H N 0.354 119.391 119.070 -0.056 0.000 2.489 171 H HA 0.250 4.979 4.556 0.288 0.000 0.343 171 H C 0.268 175.588 175.328 -0.014 0.000 1.086 171 H CA -0.581 55.551 56.048 0.139 0.000 1.198 171 H CB 1.214 31.130 29.762 0.256 0.000 1.490 171 H HN -0.215 7.594 8.280 -0.784 0.000 0.504 172 H N 0.000 119.172 119.070 0.170 0.000 2.539 172 H HA 0.000 4.596 4.556 0.067 0.000 0.296 172 H CA 0.000 56.100 56.048 0.087 0.000 1.023 172 H CB 0.000 29.807 29.762 0.075 0.000 1.292 172 H HN 0.000 8.692 8.280 0.687 0.000 0.496