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 2adz_1_A DATA FIRST_RESID 1 DATA SEQUENCE ASGRRAPRTG LLELRCGAGS GAGGERWQRV LLSLAEDALT VSPADGEPGP DATA SEQUENCE EPEPAQLNGA AEPGAAPPQL PEALLLQREV SPYFKNSAGG TSVGWDSPPA DATA SEQUENCE SPLQRQPSSP GPQPRNLSEA KHVSLKMAYV SRRCTPTDPE PRYLEICAAD DATA SEQUENCE GQDAVFLRAK DEASARSWAG AIQAQIGT 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 4.323 4.320 0.005 0.000 0.244 1 A C 0.000 177.587 177.584 0.006 0.000 1.274 1 A CA 0.000 52.040 52.037 0.005 0.000 0.836 1 A CB 0.000 19.002 19.000 0.004 0.000 0.831 2 S N 1.945 117.649 115.700 0.007 0.000 2.488 2 S HA 0.567 5.041 4.470 0.007 0.000 0.151 2 S C -0.100 174.506 174.600 0.009 0.000 1.401 2 S CA 0.625 58.830 58.200 0.008 0.000 1.221 2 S CB 1.221 64.426 63.200 0.009 0.000 1.407 2 S HN 1.643 9.957 8.310 0.007 0.000 0.406 3 G N 1.965 110.770 108.800 0.008 0.000 2.728 3 G HA2 -0.295 3.669 3.960 0.007 0.000 0.686 3 G HA3 -0.295 3.671 3.960 0.010 0.000 0.686 3 G C -1.056 173.849 174.900 0.008 0.000 1.337 3 G CA -0.611 44.494 45.100 0.009 0.000 0.861 3 G HN -0.250 8.044 8.290 0.007 0.000 0.597 4 R N -0.874 119.631 120.500 0.007 0.000 2.194 4 R HA 0.074 4.418 4.340 0.007 0.000 0.194 4 R C 0.469 176.774 176.300 0.007 0.000 0.985 4 R CA 0.183 56.287 56.100 0.007 0.000 1.104 4 R CB 0.693 30.996 30.300 0.004 0.000 1.092 4 R HN -0.014 8.261 8.270 0.007 0.000 0.555 5 R N 1.724 122.228 120.500 0.007 0.000 2.488 5 R HA -0.122 4.222 4.340 0.005 0.000 0.306 5 R C -0.405 175.902 176.300 0.012 0.000 1.271 5 R CA -0.272 55.832 56.100 0.007 0.000 1.022 5 R CB -1.098 29.206 30.300 0.006 0.000 1.054 5 R HN -0.068 8.206 8.270 0.007 0.000 0.500 6 A N 6.428 129.256 122.820 0.013 0.000 2.309 6 A HA 0.311 4.643 4.320 0.020 0.000 0.298 6 A C -1.481 176.116 177.584 0.022 0.000 1.165 6 A CA -1.819 50.229 52.037 0.018 0.000 0.821 6 A CB 0.446 19.457 19.000 0.019 0.000 1.102 6 A HN -0.136 8.020 8.150 0.010 0.000 0.500 7 P HA 0.066 4.505 4.420 0.032 0.000 0.274 7 P C -1.443 175.893 177.300 0.059 0.000 1.237 7 P CA -0.759 62.365 63.100 0.040 0.000 0.793 7 P CB 0.959 32.685 31.700 0.044 0.000 0.977 8 R N 0.664 121.211 120.500 0.078 0.000 2.340 8 R HA 0.051 4.444 4.340 0.088 0.000 0.300 8 R C -1.031 175.438 176.300 0.281 0.000 1.069 8 R CA 0.049 56.220 56.100 0.118 0.000 0.984 8 R CB 0.895 31.203 30.300 0.013 0.000 1.003 8 R HN 0.045 8.354 8.270 0.065 0.000 0.459 9 T N 0.903 115.621 114.554 0.273 0.000 2.887 9 T HA 0.750 5.500 4.350 0.250 -0.249 0.288 9 T C -0.656 174.256 174.700 0.352 0.000 1.021 9 T CA -2.496 59.757 62.100 0.254 0.000 1.000 9 T CB 3.107 72.033 68.868 0.098 0.000 1.034 9 T HN -0.014 8.345 8.240 0.198 0.000 0.467 10 G N 1.989 110.852 108.800 0.106 0.000 2.666 10 G HA2 0.348 4.461 3.960 0.255 0.000 0.303 10 G HA3 0.348 4.202 3.960 -0.177 0.000 0.303 10 G C -1.687 173.108 174.900 -0.174 0.000 1.412 10 G CA -0.845 44.271 45.100 0.027 0.000 0.979 10 G HN -0.085 8.011 8.290 -0.141 0.109 0.507 11 L N 6.237 127.431 121.223 -0.048 0.000 2.600 11 L HA -0.059 4.365 4.340 -0.067 -0.124 0.278 11 L C -1.087 175.729 176.870 -0.090 0.000 1.139 11 L CA 0.510 55.316 54.840 -0.056 0.000 0.933 11 L CB -0.372 41.684 42.059 -0.004 0.000 1.266 11 L HN 0.475 8.727 8.230 0.037 0.000 0.471 12 L N 3.225 124.373 121.223 -0.125 0.000 2.301 12 L HA 0.332 4.625 4.340 -0.077 0.000 0.264 12 L C -1.651 175.225 176.870 0.010 0.000 1.016 12 L CA -1.351 53.431 54.840 -0.097 0.000 0.821 12 L CB 4.770 46.711 42.059 -0.197 0.000 1.346 12 L HN -0.138 8.011 8.230 -0.135 0.000 0.429 13 E N -0.215 120.047 120.200 0.103 0.000 2.314 13 E HA 0.138 4.713 4.350 0.206 -0.102 0.262 13 E C -1.398 175.496 176.600 0.489 0.000 1.093 13 E CA -0.182 56.391 56.400 0.288 0.000 0.908 13 E CB 1.982 31.837 29.700 0.259 0.000 1.091 13 E HN -0.033 8.367 8.360 0.067 0.000 0.425 14 L N -0.002 121.498 121.223 0.461 0.000 2.439 14 L HA 0.419 4.703 4.340 -0.093 0.000 0.270 14 L C -1.673 174.870 176.870 -0.546 0.000 0.972 14 L CA -1.023 53.801 54.840 -0.026 0.000 0.836 14 L CB 3.515 45.542 42.059 -0.053 0.000 1.255 14 L HN 0.577 8.987 8.230 0.486 0.111 0.404 15 R N 7.098 126.590 120.500 -1.679 0.000 2.801 15 R HA 0.032 2.793 4.340 -2.633 0.000 0.273 15 R C -1.075 174.784 176.300 -0.736 0.000 1.080 15 R CA 1.544 56.479 56.100 -1.942 0.000 1.197 15 R CB 1.354 30.600 30.300 -1.757 0.000 1.109 15 R HN 0.187 7.502 8.270 -1.590 0.000 0.535 16 C N 1.501 120.497 119.300 -0.508 0.000 3.337 16 C HA 0.135 4.458 4.460 -0.228 0.000 0.328 16 C C -2.182 172.715 174.990 -0.155 0.000 2.383 16 C CA -0.114 58.756 59.018 -0.245 0.000 1.308 16 C CB 0.140 27.787 27.740 -0.155 0.000 2.334 16 C HN 0.411 8.297 8.230 -0.573 0.000 0.558 17 G N 0.341 109.041 108.800 -0.165 0.000 4.250 17 G HA2 0.058 3.982 3.960 -0.061 0.000 0.295 17 G HA3 0.058 4.063 3.960 -0.055 -0.077 0.295 17 G C -1.386 173.464 174.900 -0.084 0.000 1.081 17 G CA -0.980 44.069 45.100 -0.085 0.000 0.854 17 G HN -0.150 7.996 8.290 -0.241 0.000 0.524 18 A N -0.571 122.186 122.820 -0.105 0.000 2.522 18 A HA 0.008 4.264 4.320 -0.107 0.000 0.256 18 A C 0.073 177.621 177.584 -0.060 0.000 1.086 18 A CA 1.167 53.148 52.037 -0.093 0.000 0.763 18 A CB -0.149 18.795 19.000 -0.093 0.000 1.024 18 A HN -0.435 7.583 8.150 -0.122 0.060 0.502 19 G N 1.821 110.589 108.800 -0.053 0.000 4.253 19 G HA2 -0.066 3.875 3.960 -0.032 0.000 0.169 19 G HA3 -0.066 3.876 3.960 -0.030 0.000 0.169 19 G C -0.186 174.695 174.900 -0.031 0.000 1.295 19 G CA 0.928 46.007 45.100 -0.035 0.000 1.021 19 G HN 0.287 8.540 8.290 -0.062 0.000 0.381 20 S N 0.858 116.539 115.700 -0.031 0.000 5.768 20 S HA 0.064 4.517 4.470 -0.028 0.000 0.129 20 S C 1.040 175.625 174.600 -0.025 0.000 1.124 20 S CA 0.360 58.545 58.200 -0.026 0.000 1.411 20 S CB 0.101 63.290 63.200 -0.017 0.000 1.995 20 S HN 0.284 8.575 8.310 -0.032 0.000 0.565 21 G N 1.542 110.330 108.800 -0.019 0.000 2.580 21 G HA2 0.157 4.107 3.960 -0.017 0.000 0.225 21 G HA3 0.157 4.110 3.960 -0.011 0.000 0.225 21 G C -1.236 173.654 174.900 -0.017 0.000 1.521 21 G CA -0.695 44.395 45.100 -0.016 0.000 1.068 21 G HN -0.247 8.033 8.290 -0.017 0.000 0.564 22 A N -2.067 120.747 122.820 -0.009 0.000 2.602 22 A HA 0.219 4.539 4.320 0.001 0.000 0.238 22 A C 0.072 177.662 177.584 0.010 0.000 0.863 22 A CA 0.058 52.095 52.037 -0.001 0.000 1.148 22 A CB 0.924 19.919 19.000 -0.008 0.000 1.227 22 A HN -0.001 8.145 8.150 -0.007 0.000 0.460 23 G N -1.816 106.989 108.800 0.009 0.000 3.805 23 G HA2 0.035 4.004 3.960 0.015 0.000 0.290 23 G HA3 0.035 4.000 3.960 0.008 0.000 0.290 23 G C -0.191 174.720 174.900 0.019 0.000 1.077 23 G CA 0.183 45.291 45.100 0.013 0.000 0.852 23 G HN -0.301 7.991 8.290 0.003 0.000 0.531 24 G N -0.019 108.796 108.800 0.025 0.000 5.233 24 G HA2 0.077 4.056 3.960 0.031 0.000 0.203 24 G HA3 0.077 4.047 3.960 0.016 0.000 0.203 24 G C -0.912 174.010 174.900 0.037 0.000 0.734 24 G CA 0.005 45.121 45.100 0.027 0.000 0.662 24 G HN -0.174 8.059 8.290 0.026 0.073 0.468 25 E N -0.481 119.765 120.200 0.076 0.000 2.338 25 E HA 0.049 4.430 4.350 0.051 0.000 0.272 25 E C -0.593 176.086 176.600 0.132 0.000 1.029 25 E CA 0.322 56.795 56.400 0.121 0.000 0.872 25 E CB 0.808 30.677 29.700 0.282 0.000 1.015 25 E HN -0.199 8.211 8.360 0.082 0.000 0.417 26 R N 2.271 122.812 120.500 0.068 0.000 2.989 26 R HA 0.188 4.592 4.340 0.108 0.000 0.340 26 R C -0.856 175.495 176.300 0.084 0.000 1.205 26 R CA -1.029 55.113 56.100 0.071 0.000 1.235 26 R CB -0.118 30.191 30.300 0.015 0.000 1.394 26 R HN 0.217 8.463 8.270 -0.014 0.016 0.598 27 W N -0.629 120.682 121.300 0.017 0.000 2.215 27 W HA -0.248 4.622 4.660 0.029 -0.193 0.355 27 W C -0.480 176.048 176.519 0.015 0.000 1.298 27 W CA 1.461 58.820 57.345 0.024 0.000 1.362 27 W CB 0.570 30.051 29.460 0.035 0.000 1.246 27 W HN -0.402 7.998 8.180 0.462 0.057 0.629 28 Q N -2.409 117.573 119.800 0.304 0.000 2.503 28 Q HA 0.137 4.570 4.340 0.156 0.000 0.268 28 Q C -1.776 174.320 176.000 0.160 0.000 0.982 28 Q CA -0.944 54.960 55.803 0.168 0.000 0.907 28 Q CB 3.920 32.704 28.738 0.077 0.000 1.467 28 Q HN 0.411 8.841 8.270 0.426 0.096 0.394 29 R N 4.464 125.029 120.500 0.108 0.000 2.570 29 R HA -0.165 4.278 4.340 0.095 -0.046 0.277 29 R C -1.225 175.102 176.300 0.045 0.000 1.039 29 R CA 1.629 57.774 56.100 0.075 0.000 1.065 29 R CB 0.348 30.676 30.300 0.046 0.000 0.964 29 R HN 0.225 8.550 8.270 0.091 0.000 0.428 30 V N -0.657 119.273 119.914 0.027 0.000 3.206 30 V HA 0.355 4.574 4.120 -0.006 -0.103 0.305 30 V C -2.992 173.078 176.094 -0.040 0.000 1.257 30 V CA -3.062 59.233 62.300 -0.007 0.000 1.057 30 V CB 3.532 35.346 31.823 -0.015 0.000 1.075 30 V HN 0.761 8.867 8.190 0.032 0.103 0.443 31 L N -0.967 120.222 121.223 -0.057 0.000 2.325 31 L HA 0.270 4.559 4.340 -0.085 0.000 0.278 31 L C -1.787 175.007 176.870 -0.128 0.000 1.023 31 L CA -1.659 53.133 54.840 -0.080 0.000 0.811 31 L CB 2.763 44.791 42.059 -0.051 0.000 1.249 31 L HN 0.870 8.963 8.230 -0.049 0.108 0.431 32 L N 4.289 125.398 121.223 -0.190 0.000 2.426 32 L HA 0.295 4.510 4.340 -0.207 0.000 0.255 32 L C -1.128 175.640 176.870 -0.171 0.000 1.080 32 L CA -1.042 53.642 54.840 -0.259 0.000 0.960 32 L CB -0.191 41.564 42.059 -0.506 0.000 1.326 32 L HN 0.207 8.323 8.230 -0.190 0.000 0.441 33 S N 3.935 119.574 115.700 -0.102 0.000 2.962 33 S HA -0.066 4.415 4.470 0.018 0.000 0.320 33 S C -1.406 173.196 174.600 0.003 0.000 1.186 33 S CA 0.400 58.579 58.200 -0.035 0.000 1.180 33 S CB -0.805 62.350 63.200 -0.074 0.000 1.491 33 S HN 0.627 8.862 8.310 -0.125 0.000 0.556 34 L N 6.845 128.142 121.223 0.123 0.000 2.278 34 L HA 0.052 4.454 4.340 0.103 0.000 0.287 34 L C -2.894 174.051 176.870 0.125 0.000 1.072 34 L CA -0.418 54.532 54.840 0.183 0.000 0.819 34 L CB 1.595 43.947 42.059 0.488 0.000 1.176 34 L HN 0.420 8.696 8.230 0.204 0.077 0.435 35 A N 4.702 127.565 122.820 0.070 0.000 2.311 35 A HA 0.465 4.814 4.320 0.048 0.000 0.334 35 A C 1.108 178.714 177.584 0.036 0.000 1.139 35 A CA -1.372 50.693 52.037 0.047 0.000 0.830 35 A CB 2.016 21.038 19.000 0.035 0.000 1.234 35 A HN 0.805 8.886 8.150 0.056 0.103 0.483 36 E N -0.018 120.196 120.200 0.022 0.000 2.284 36 E HA -0.346 4.008 4.350 0.008 0.000 0.200 36 E C -0.690 175.916 176.600 0.010 0.000 1.008 36 E CA 2.708 59.115 56.400 0.011 0.000 0.829 36 E CB -0.128 29.575 29.700 0.004 0.000 0.744 36 E HN 0.656 9.029 8.360 0.021 0.000 0.491 37 D N -8.291 112.117 120.400 0.014 0.000 2.996 37 D HA -0.013 4.629 4.640 0.004 0.000 0.343 37 D C -2.047 174.262 176.300 0.015 0.000 1.574 37 D CA -0.645 53.360 54.000 0.009 0.000 0.773 37 D CB -0.216 40.587 40.800 0.005 0.000 1.241 37 D HN -0.552 7.775 8.370 0.020 0.055 0.469 38 A N -0.848 121.985 122.820 0.021 0.000 2.528 38 A HA 0.154 4.642 4.320 0.022 -0.155 0.306 38 A C -2.831 174.762 177.584 0.015 0.000 1.042 38 A CA 0.701 52.754 52.037 0.027 0.000 0.950 38 A CB 2.705 21.738 19.000 0.054 0.000 1.374 38 A HN -0.181 7.880 8.150 0.023 0.103 0.387 39 L N 5.540 126.761 121.223 -0.003 0.000 2.272 39 L HA 0.615 5.078 4.340 -0.013 -0.131 0.284 39 L C -1.353 175.463 176.870 -0.090 0.000 1.045 39 L CA -1.330 53.493 54.840 -0.029 0.000 0.842 39 L CB 1.002 43.047 42.059 -0.024 0.000 1.224 39 L HN 0.799 8.921 8.230 -0.001 0.108 0.430 40 T N 10.250 124.705 114.554 -0.164 0.000 2.771 40 T HA 0.297 4.594 4.350 -0.331 -0.145 0.281 40 T C -1.131 173.421 174.700 -0.247 0.000 0.982 40 T CA -0.726 61.166 62.100 -0.346 0.000 0.978 40 T CB 1.616 70.054 68.868 -0.718 0.000 0.930 40 T HN 0.956 9.034 8.240 -0.122 0.089 0.447 41 V N 6.847 126.639 119.914 -0.205 0.000 2.863 41 V HA 0.563 4.754 4.120 -0.145 -0.159 0.307 41 V C -0.409 175.612 176.094 -0.122 0.000 1.061 41 V CA -1.159 61.054 62.300 -0.144 0.000 1.024 41 V CB 1.387 33.145 31.823 -0.109 0.000 1.049 41 V HN 0.035 8.030 8.190 -0.200 0.075 0.471 42 S N 1.298 116.946 115.700 -0.088 0.000 2.638 42 S HA 0.540 4.981 4.470 -0.048 0.000 0.274 42 S C -2.441 172.137 174.600 -0.038 0.000 1.157 42 S CA -2.933 55.233 58.200 -0.056 0.000 0.826 42 S CB 2.125 65.294 63.200 -0.051 0.000 1.139 42 S HN 0.755 8.912 8.310 -0.090 0.099 0.474 43 P HA 0.133 4.546 4.420 -0.012 0.000 0.220 43 P C -1.256 176.040 177.300 -0.007 0.000 1.778 43 P CA -0.750 62.343 63.100 -0.011 0.000 0.912 43 P CB -1.532 30.164 31.700 -0.005 0.000 1.861 44 A N -2.902 119.910 122.820 -0.013 0.000 2.771 44 A HA -0.349 3.963 4.320 -0.014 0.000 0.294 44 A C -1.152 176.430 177.584 -0.002 0.000 1.500 44 A CA 1.297 53.330 52.037 -0.008 0.000 0.829 44 A CB -0.809 18.191 19.000 0.001 0.000 0.998 44 A HN -0.244 7.888 8.150 -0.023 0.004 0.526 45 D N -4.129 116.269 120.400 -0.004 0.000 2.652 45 D HA 0.174 4.816 4.640 0.003 0.000 0.285 45 D C -1.408 174.892 176.300 0.001 0.000 1.173 45 D CA -0.843 53.158 54.000 0.001 0.000 0.981 45 D CB 1.969 42.770 40.800 0.003 0.000 1.440 45 D HN -0.256 8.076 8.370 -0.009 0.033 0.485 46 G N -1.554 107.249 108.800 0.005 0.000 2.601 46 G HA2 0.130 4.094 3.960 0.006 0.000 0.317 46 G HA3 0.130 4.095 3.960 0.009 0.000 0.317 46 G C -0.977 173.929 174.900 0.010 0.000 1.246 46 G CA -0.215 44.889 45.100 0.007 0.000 1.012 46 G HN -0.195 8.099 8.290 0.006 0.000 0.494 47 E N 1.236 121.444 120.200 0.014 0.000 2.227 47 E HA 0.342 4.702 4.350 0.016 0.000 0.282 47 E C -1.578 175.030 176.600 0.013 0.000 1.015 47 E CA -2.132 54.278 56.400 0.016 0.000 0.823 47 E CB 0.907 30.622 29.700 0.024 0.000 1.081 47 E HN 0.029 8.398 8.360 0.014 0.000 0.396 48 P HA 0.129 4.554 4.420 0.008 0.000 0.276 48 P C -0.847 176.459 177.300 0.009 0.000 1.253 48 P CA -0.323 62.782 63.100 0.009 0.000 0.766 48 P CB 0.618 32.322 31.700 0.007 0.000 0.845 49 G N 3.741 112.546 108.800 0.008 0.000 3.247 49 G HA2 0.394 4.358 3.960 0.007 0.000 0.199 49 G HA3 0.394 4.359 3.960 0.008 0.000 0.199 49 G C -1.931 172.973 174.900 0.006 0.000 1.172 49 G CA -0.022 45.083 45.100 0.008 0.000 0.844 49 G HN 0.088 8.383 8.290 0.008 0.000 0.619 50 P HA -0.005 4.417 4.420 0.004 0.000 0.237 50 P C -0.862 176.441 177.300 0.005 0.000 1.178 50 P CA 0.394 63.497 63.100 0.004 0.000 0.766 50 P CB 0.286 31.988 31.700 0.004 0.000 0.876 51 E N 0.225 120.428 120.200 0.005 0.000 2.028 51 E HA 0.377 4.730 4.350 0.005 0.000 0.266 51 E C -1.421 175.182 176.600 0.005 0.000 0.962 51 E CA -2.504 53.899 56.400 0.005 0.000 0.784 51 E CB 0.466 30.170 29.700 0.006 0.000 1.114 51 E HN -0.133 8.158 8.360 0.006 0.073 0.414 52 P HA 0.107 4.530 4.420 0.004 0.000 0.272 52 P C -1.289 176.014 177.300 0.005 0.000 1.240 52 P CA -0.359 62.743 63.100 0.004 0.000 0.791 52 P CB 0.730 32.433 31.700 0.004 0.000 0.978 53 E N -0.570 119.632 120.200 0.005 0.000 2.308 53 E HA 0.302 4.654 4.350 0.005 0.000 0.275 53 E C -2.109 174.493 176.600 0.004 0.000 0.890 53 E CA -2.211 54.192 56.400 0.005 0.000 0.754 53 E CB 0.406 30.109 29.700 0.005 0.000 1.207 53 E HN 0.035 8.397 8.360 0.004 0.000 0.426 54 P HA 0.064 4.486 4.420 0.003 0.000 0.274 54 P C -1.034 176.269 177.300 0.004 0.000 1.246 54 P CA -0.529 62.573 63.100 0.004 0.000 0.795 54 P CB 0.683 32.385 31.700 0.004 0.000 1.006 55 A N 0.269 123.091 122.820 0.004 0.000 2.364 55 A HA -0.087 4.236 4.320 0.004 0.000 0.258 55 A C -0.580 177.006 177.584 0.004 0.000 1.131 55 A CA 0.303 52.342 52.037 0.004 0.000 0.800 55 A CB 0.640 19.642 19.000 0.003 0.000 1.086 55 A HN 0.188 8.340 8.150 0.003 0.000 0.508 56 Q N -1.665 118.138 119.800 0.004 0.000 2.331 56 Q HA 0.210 4.553 4.340 0.005 0.000 0.267 56 Q C -1.063 174.940 176.000 0.005 0.000 1.006 56 Q CA -1.104 54.702 55.803 0.005 0.000 0.818 56 Q CB 2.063 30.804 28.738 0.005 0.000 1.276 56 Q HN 0.209 8.482 8.270 0.004 0.000 0.450 57 L N 3.962 125.188 121.223 0.004 0.000 2.326 57 L HA 0.118 4.461 4.340 0.004 0.000 0.278 57 L C 0.267 177.140 176.870 0.004 0.000 1.092 57 L CA 0.292 55.134 54.840 0.004 0.000 0.810 57 L CB 0.250 42.312 42.059 0.004 0.000 1.153 57 L HN 0.360 8.593 8.230 0.005 0.000 0.439 58 N N 2.978 121.681 118.700 0.004 0.000 2.622 58 N HA -0.006 4.736 4.740 0.005 0.000 0.213 58 N C 1.272 176.785 175.510 0.004 0.000 1.037 58 N CA -0.364 52.689 53.050 0.005 0.000 0.999 58 N CB 1.138 39.628 38.487 0.005 0.000 1.342 58 N HN 0.588 8.971 8.380 0.004 0.000 0.465 59 G N 0.770 109.572 108.800 0.004 0.000 2.780 59 G HA2 -0.177 3.785 3.960 0.004 0.000 0.237 59 G HA3 -0.177 3.785 3.960 0.004 0.000 0.237 59 G C -1.426 173.476 174.900 0.004 0.000 1.965 59 G CA -0.334 44.769 45.100 0.004 0.000 1.577 59 G HN 0.179 8.472 8.290 0.004 0.000 0.543 60 A N 1.835 124.657 122.820 0.004 0.000 2.375 60 A HA 0.327 4.649 4.320 0.004 0.000 0.295 60 A C -1.839 175.747 177.584 0.004 0.000 1.066 60 A CA 0.188 52.227 52.037 0.004 0.000 0.722 60 A CB 1.244 20.247 19.000 0.003 0.000 1.206 60 A HN -0.016 8.136 8.150 0.004 0.000 0.435 61 A N 4.730 127.552 122.820 0.004 0.000 2.611 61 A HA 0.215 4.538 4.320 0.004 0.000 0.282 61 A C -1.089 176.498 177.584 0.005 0.000 1.114 61 A CA 0.099 52.138 52.037 0.004 0.000 0.800 61 A CB 0.848 19.851 19.000 0.005 0.000 1.325 61 A HN 0.038 8.191 8.150 0.004 0.000 0.411 62 E N 3.456 123.658 120.200 0.004 0.000 2.283 62 E HA 0.390 4.743 4.350 0.005 0.000 0.271 62 E C -1.867 174.736 176.600 0.005 0.000 1.031 62 E CA -2.890 53.513 56.400 0.004 0.000 0.868 62 E CB 0.248 29.951 29.700 0.004 0.000 1.094 62 E HN 0.029 8.391 8.360 0.004 0.000 0.401 63 P HA -0.127 4.469 4.420 0.006 -0.173 0.264 63 P C -0.318 176.985 177.300 0.004 0.000 1.183 63 P CA 0.251 63.355 63.100 0.006 0.000 0.763 63 P CB 0.334 32.038 31.700 0.006 0.000 0.807 64 G N 1.849 110.651 108.800 0.004 0.000 3.541 64 G HA2 -0.122 3.839 3.960 0.003 0.000 0.236 64 G HA3 -0.122 3.839 3.960 0.002 0.000 0.236 64 G C -1.259 173.643 174.900 0.003 0.000 3.926 64 G CA 0.009 45.111 45.100 0.003 0.000 0.465 64 G HN 0.107 8.400 8.290 0.005 0.000 0.274 65 A N 1.760 124.583 122.820 0.004 0.000 2.605 65 A HA 0.513 4.835 4.320 0.003 0.000 0.293 65 A C -1.628 175.959 177.584 0.005 0.000 1.216 65 A CA -0.048 51.992 52.037 0.005 0.000 0.742 65 A CB 1.109 20.113 19.000 0.006 0.000 1.170 65 A HN -0.307 7.846 8.150 0.005 0.000 0.443 66 A N 3.310 126.132 122.820 0.003 0.000 1.871 66 A HA 0.266 4.588 4.320 0.004 0.000 0.211 66 A C -0.779 176.806 177.584 0.003 0.000 1.207 66 A CA 1.067 53.105 52.037 0.003 0.000 0.620 66 A CB -1.345 17.655 19.000 0.001 0.000 0.860 66 A HN 0.485 8.636 8.150 0.002 0.000 0.450 67 P HA -0.026 4.393 4.420 -0.003 0.000 0.215 67 P C -1.696 175.606 177.300 0.002 0.000 1.157 67 P CA 0.704 63.803 63.100 -0.001 0.000 0.874 67 P CB -1.547 30.151 31.700 -0.003 0.000 0.790 68 P HA 0.059 4.485 4.420 0.011 0.000 0.286 68 P C -1.615 175.694 177.300 0.015 0.000 1.269 68 P CA -0.494 62.612 63.100 0.010 0.000 0.787 68 P CB 0.498 32.204 31.700 0.010 0.000 0.920 69 Q N 1.145 120.958 119.800 0.022 0.000 2.275 69 Q HA 0.323 4.676 4.340 0.022 0.000 0.266 69 Q C -1.087 174.933 176.000 0.034 0.000 1.002 69 Q CA -0.380 55.439 55.803 0.026 0.000 0.761 69 Q CB 2.188 30.942 28.738 0.027 0.000 1.255 69 Q HN 0.208 8.493 8.270 0.025 0.000 0.446 70 L N 5.578 126.818 121.223 0.030 0.000 2.388 70 L HA 0.499 4.863 4.340 0.040 0.000 0.267 70 L C -1.221 175.665 176.870 0.027 0.000 0.995 70 L CA -2.245 52.614 54.840 0.032 0.000 0.864 70 L CB 0.150 42.226 42.059 0.028 0.000 1.216 70 L HN 0.187 8.432 8.230 0.025 0.000 0.430 71 P HA 0.019 4.452 4.420 0.021 0.000 0.296 71 P C -1.209 176.101 177.300 0.017 0.000 1.295 71 P CA -0.700 62.414 63.100 0.023 0.000 0.754 71 P CB 0.706 32.420 31.700 0.024 0.000 1.311 72 E N -3.053 117.156 120.200 0.014 0.000 2.484 72 E HA -0.264 4.090 4.350 0.008 0.000 0.181 72 E C -1.512 175.093 176.600 0.009 0.000 1.458 72 E CA 0.944 57.349 56.400 0.009 0.000 0.667 72 E CB -1.405 28.300 29.700 0.008 0.000 1.125 72 E HN 0.345 8.713 8.360 0.014 0.000 0.384 73 A N -1.238 121.587 122.820 0.009 0.000 3.091 73 A HA -0.117 4.206 4.320 0.004 0.000 0.187 73 A C -0.421 177.168 177.584 0.009 0.000 1.645 73 A CA 1.003 53.045 52.037 0.007 0.000 1.370 73 A CB -0.336 18.670 19.000 0.009 0.000 1.098 73 A HN -0.311 7.845 8.150 0.010 0.000 0.374 74 L N -1.534 119.696 121.223 0.013 0.000 2.249 74 L HA -0.066 4.284 4.340 0.017 0.000 0.207 74 L C 0.914 177.794 176.870 0.018 0.000 1.090 74 L CA 1.742 56.592 54.840 0.017 0.000 0.802 74 L CB -0.132 41.939 42.059 0.019 0.000 0.947 74 L HN -0.011 8.227 8.230 0.014 0.000 0.453 75 L N -3.397 117.836 121.223 0.016 0.000 2.141 75 L HA -0.247 4.105 4.340 0.020 0.000 0.209 75 L C 2.550 179.429 176.870 0.014 0.000 1.094 75 L CA 2.860 57.710 54.840 0.016 0.000 0.763 75 L CB -0.590 41.477 42.059 0.014 0.000 0.908 75 L HN -0.558 7.681 8.230 0.015 0.000 0.437 76 L N -3.825 117.404 121.223 0.009 0.000 2.102 76 L HA -0.092 4.251 4.340 0.004 0.000 0.202 76 L C 1.361 178.231 176.870 0.000 0.000 1.076 76 L CA 2.151 56.992 54.840 0.003 0.000 0.761 76 L CB 0.190 42.247 42.059 -0.003 0.000 0.921 76 L HN -0.520 7.696 8.230 0.008 0.019 0.444 77 Q N -2.555 117.246 119.800 0.002 0.000 3.041 77 Q HA 0.055 4.388 4.340 -0.013 0.000 0.372 77 Q C 0.221 176.232 176.000 0.018 0.000 1.241 77 Q CA -0.336 55.467 55.803 -0.000 0.000 1.010 77 Q CB -1.380 27.356 28.738 -0.004 0.000 1.467 77 Q HN -0.542 7.730 8.270 0.004 0.000 0.462 78 R N -0.927 119.589 120.500 0.028 0.000 2.128 78 R HA -0.019 4.347 4.340 0.044 0.000 0.211 78 R C 0.739 177.081 176.300 0.070 0.000 1.067 78 R CA 1.657 57.784 56.100 0.045 0.000 1.010 78 R CB 0.931 31.257 30.300 0.043 0.000 0.922 78 R HN -0.623 7.584 8.270 0.023 0.077 0.457 79 E N -2.147 118.100 120.200 0.079 0.000 2.336 79 E HA 0.031 4.477 4.350 0.160 0.000 0.214 79 E C -0.702 175.983 176.600 0.142 0.000 1.144 79 E CA 0.276 56.764 56.400 0.147 0.000 1.294 79 E CB -0.699 29.116 29.700 0.192 0.000 1.263 79 E HN 0.088 8.481 8.360 0.056 0.000 0.439 80 V N -3.578 116.382 119.914 0.077 0.000 3.165 80 V HA 0.041 4.158 4.120 -0.005 0.000 0.231 80 V C 0.240 176.376 176.094 0.070 0.000 1.365 80 V CA 0.391 62.704 62.300 0.021 0.000 1.286 80 V CB 1.504 33.294 31.823 -0.054 0.000 1.081 80 V HN -0.422 7.714 8.190 0.074 0.098 0.477 81 S N 0.916 116.660 115.700 0.073 0.000 2.351 81 S HA -0.166 4.349 4.470 0.076 0.000 0.220 81 S C -0.697 173.987 174.600 0.140 0.000 1.035 81 S CA 4.250 62.503 58.200 0.088 0.000 1.031 81 S CB -1.008 62.233 63.200 0.068 0.000 0.928 81 S HN -0.150 8.196 8.310 0.060 0.000 0.433 82 P HA 0.072 4.591 4.420 0.164 0.000 0.225 82 P C -1.467 176.007 177.300 0.289 0.000 1.768 82 P CA -0.938 62.271 63.100 0.182 0.000 0.943 82 P CB -1.525 30.259 31.700 0.141 0.000 1.936 83 Y N -2.184 118.178 120.300 0.103 0.000 2.855 83 Y HA -0.540 4.081 4.550 0.119 0.000 0.414 83 Y C -2.180 173.860 175.900 0.234 0.000 1.503 83 Y CA 2.373 60.550 58.100 0.128 0.000 1.572 83 Y CB -0.954 37.559 38.460 0.087 0.000 1.659 83 Y HN -0.159 8.256 8.280 0.355 0.078 0.429 84 F N -2.757 117.187 119.950 -0.009 0.000 2.773 84 F HA 0.107 4.653 4.527 0.033 0.000 0.314 84 F C -0.426 175.359 175.800 -0.024 0.000 1.160 84 F CA -0.688 57.297 58.000 -0.024 0.000 0.920 84 F CB 1.494 40.449 39.000 -0.075 0.000 1.323 84 F HN -0.232 8.073 8.300 0.009 0.000 0.457 85 K N 0.670 120.586 120.400 -0.807 0.000 9.188 85 K HA -0.500 3.454 4.320 -0.610 0.000 0.503 85 K C 0.250 176.714 176.600 -0.227 0.000 0.367 85 K CA 2.532 58.553 56.287 -0.444 0.000 1.958 85 K CB -0.783 31.648 32.500 -0.114 0.000 0.698 85 K HN 0.632 7.620 8.250 -2.103 0.000 1.029 86 N N -0.471 118.192 118.700 -0.061 0.000 2.455 86 N HA 0.052 4.768 4.740 -0.039 0.000 0.258 86 N C -0.104 175.420 175.510 0.024 0.000 1.158 86 N CA 0.219 53.273 53.050 0.007 0.000 0.893 86 N CB 0.117 38.660 38.487 0.092 0.000 1.173 86 N HN 0.142 8.455 8.380 -0.001 0.067 0.503 87 S N -1.050 114.627 115.700 -0.037 0.000 2.527 87 S HA 0.084 4.570 4.470 0.027 0.000 0.227 87 S C -0.362 174.208 174.600 -0.051 0.000 1.059 87 S CA 0.437 58.633 58.200 -0.007 0.000 0.919 87 S CB 0.917 64.139 63.200 0.036 0.000 0.805 87 S HN -0.352 7.774 8.310 -0.136 0.103 0.500 88 A N 1.367 124.126 122.820 -0.102 0.000 2.425 88 A HA 0.044 4.324 4.320 -0.067 0.000 0.242 88 A C -0.515 177.027 177.584 -0.070 0.000 1.077 88 A CA 0.679 52.663 52.037 -0.088 0.000 0.781 88 A CB 0.486 19.416 19.000 -0.117 0.000 1.020 88 A HN -0.511 7.545 8.150 -0.156 0.000 0.494 89 G N -0.586 108.179 108.800 -0.059 0.000 2.648 89 G HA2 -0.102 3.826 3.960 -0.053 0.000 0.317 89 G HA3 -0.102 3.820 3.960 -0.063 0.000 0.317 89 G C -0.586 174.278 174.900 -0.059 0.000 1.216 89 G CA -0.923 44.142 45.100 -0.058 0.000 1.210 89 G HN -0.252 8.006 8.290 -0.052 0.000 0.583 90 G N 2.819 111.590 108.800 -0.049 0.000 3.506 90 G HA2 0.176 4.104 3.960 -0.053 0.000 0.268 90 G HA3 0.176 4.114 3.960 -0.036 0.000 0.268 90 G C -1.237 173.632 174.900 -0.052 0.000 0.959 90 G CA 0.246 45.318 45.100 -0.047 0.000 1.823 90 G HN 0.277 8.541 8.290 -0.043 0.000 0.615 91 T N 1.685 116.196 114.554 -0.070 0.000 3.340 91 T HA 0.100 4.416 4.350 -0.057 0.000 0.272 91 T C 0.129 174.770 174.700 -0.098 0.000 0.965 91 T CA 0.085 62.143 62.100 -0.071 0.000 1.040 91 T CB 0.957 69.788 68.868 -0.063 0.000 1.183 91 T HN -0.297 7.840 8.240 -0.083 0.053 0.478 92 S N 0.039 115.659 115.700 -0.134 0.000 2.671 92 S HA 0.165 4.515 4.470 -0.200 0.000 0.277 92 S C -1.058 173.363 174.600 -0.298 0.000 1.165 92 S CA -0.240 57.841 58.200 -0.199 0.000 0.822 92 S CB 1.795 64.892 63.200 -0.172 0.000 1.150 92 S HN -0.363 7.872 8.310 -0.126 0.000 0.479 93 V N 1.727 121.341 119.914 -0.499 0.000 5.043 93 V HA -0.199 3.096 4.120 -1.376 0.000 0.267 93 V C -0.735 175.018 176.094 -0.569 0.000 0.597 93 V CA 0.252 62.095 62.300 -0.762 0.000 0.703 93 V CB 0.245 31.782 31.823 -0.478 0.000 0.558 93 V HN 0.310 8.201 8.190 -0.499 0.000 1.038 94 G N 0.694 109.198 108.800 -0.493 0.000 3.581 94 G HA2 0.018 3.895 3.960 -0.139 0.000 0.255 94 G HA3 0.018 3.894 3.960 -0.140 0.000 0.255 94 G C -0.150 174.721 174.900 -0.049 0.000 1.121 94 G CA -0.618 44.358 45.100 -0.207 0.000 1.739 94 G HN 0.049 8.008 8.290 -0.539 0.008 0.646 95 W N 1.657 122.956 121.300 -0.003 0.000 1.705 95 W HA 0.158 4.818 4.660 -0.000 0.000 0.361 95 W C -1.063 175.459 176.519 0.004 0.000 0.690 95 W CA -2.774 54.570 57.345 -0.001 0.000 1.989 95 W CB -2.572 26.884 29.460 -0.007 0.000 1.903 95 W HN -0.590 7.432 8.180 -0.118 0.086 0.364 96 D N -0.214 120.298 120.400 0.187 0.000 2.722 96 D HA 0.136 4.854 4.640 0.131 0.000 0.239 96 D C -0.796 175.568 176.300 0.105 0.000 1.249 96 D CA -0.121 53.955 54.000 0.125 0.000 0.830 96 D CB 0.588 41.440 40.800 0.086 0.000 1.025 96 D HN -0.645 7.758 8.370 0.162 0.064 0.486 97 S N -0.859 114.909 115.700 0.113 0.000 2.150 97 S HA 0.451 4.960 4.470 0.065 0.000 0.171 97 S C -2.122 172.509 174.600 0.050 0.000 1.620 97 S CA -2.731 55.514 58.200 0.075 0.000 1.190 97 S CB 0.575 63.818 63.200 0.072 0.000 1.102 97 S HN -0.694 7.611 8.310 0.152 0.096 0.464 98 P HA 0.299 4.731 4.420 0.020 0.000 0.259 98 P C -1.468 175.840 177.300 0.013 0.000 1.211 98 P CA -0.628 62.489 63.100 0.028 0.000 0.810 98 P CB -0.065 31.657 31.700 0.036 0.000 0.815 99 P HA -0.079 4.339 4.420 -0.004 0.000 0.220 99 P C -0.561 176.736 177.300 -0.004 0.000 1.148 99 P CA 1.267 64.362 63.100 -0.009 0.000 0.803 99 P CB 0.328 32.012 31.700 -0.027 0.000 0.782 100 A N -2.532 120.286 122.820 -0.003 0.000 2.414 100 A HA 0.695 5.015 4.320 0.001 0.000 0.278 100 A C -1.333 176.256 177.584 0.008 0.000 1.228 100 A CA -0.673 51.364 52.037 0.001 0.000 0.857 100 A CB 2.165 21.162 19.000 -0.004 0.000 1.389 100 A HN -0.385 7.728 8.150 -0.004 0.034 0.452 101 S N -1.273 114.432 115.700 0.009 0.000 2.751 101 S HA 0.121 4.601 4.470 0.017 0.000 0.148 101 S C -2.373 172.235 174.600 0.012 0.000 1.057 101 S CA -0.346 57.863 58.200 0.014 0.000 1.103 101 S CB -0.117 63.093 63.200 0.016 0.000 1.709 101 S HN 0.095 8.408 8.310 0.006 0.000 0.484 102 P HA 0.142 4.567 4.420 0.008 0.000 0.231 102 P C -1.669 175.638 177.300 0.012 0.000 1.756 102 P CA -0.412 62.693 63.100 0.009 0.000 0.990 102 P CB -1.344 30.360 31.700 0.007 0.000 1.973 103 L N 2.880 124.111 121.223 0.013 0.000 2.366 103 L HA 0.278 4.626 4.340 0.014 0.000 0.266 103 L C -1.154 175.723 176.870 0.012 0.000 1.010 103 L CA 0.275 55.123 54.840 0.014 0.000 0.879 103 L CB -0.712 41.357 42.059 0.017 0.000 1.228 103 L HN -0.021 8.143 8.230 0.013 0.075 0.439 104 Q N 5.395 125.201 119.800 0.010 0.000 2.380 104 Q HA 0.195 4.540 4.340 0.009 0.000 0.245 104 Q C -2.436 173.569 176.000 0.008 0.000 0.893 104 Q CA 0.123 55.932 55.803 0.009 0.000 0.922 104 Q CB 2.696 31.439 28.738 0.009 0.000 1.432 104 Q HN 0.281 8.557 8.270 0.010 0.000 0.434 105 R N 2.003 122.508 120.500 0.008 0.000 2.734 105 R HA 0.362 4.706 4.340 0.007 0.000 0.271 105 R C -0.646 175.657 176.300 0.006 0.000 1.021 105 R CA -0.469 55.635 56.100 0.007 0.000 0.893 105 R CB 2.515 32.819 30.300 0.007 0.000 1.244 105 R HN -0.104 8.170 8.270 0.008 0.000 0.464 106 Q N 0.094 119.898 119.800 0.005 0.000 2.457 106 Q HA -0.186 4.157 4.340 0.005 0.000 0.333 106 Q C -1.813 174.191 176.000 0.005 0.000 1.448 106 Q CA 0.279 56.085 55.803 0.005 0.000 0.891 106 Q CB -0.211 28.530 28.738 0.004 0.000 1.142 106 Q HN 0.490 8.763 8.270 0.005 0.000 0.375 107 P HA -0.093 4.332 4.420 0.007 0.000 0.215 107 P C -0.658 176.646 177.300 0.007 0.000 1.153 107 P CA 1.006 64.110 63.100 0.007 0.000 0.853 107 P CB 0.385 32.089 31.700 0.007 0.000 0.788 108 S N -4.666 111.038 115.700 0.006 0.000 2.626 108 S HA 0.147 4.620 4.470 0.006 0.000 0.275 108 S C -1.550 173.053 174.600 0.005 0.000 1.175 108 S CA 0.252 58.455 58.200 0.006 0.000 0.982 108 S CB 1.187 64.391 63.200 0.006 0.000 1.093 108 S HN -0.491 7.822 8.310 0.006 0.000 0.472 109 S N 1.795 117.498 115.700 0.004 0.000 5.984 109 S HA 0.218 4.864 4.470 0.004 -0.174 0.117 109 S C -2.337 172.265 174.600 0.003 0.000 1.161 109 S CA 0.533 58.736 58.200 0.004 0.000 1.393 109 S CB 0.166 63.368 63.200 0.004 0.000 1.908 109 S HN 0.153 8.466 8.310 0.004 0.000 0.533 110 P HA 0.106 4.527 4.420 0.002 0.000 0.302 110 P C -0.588 176.713 177.300 0.002 0.000 1.301 110 P CA -0.140 62.962 63.100 0.002 0.000 0.745 110 P CB 0.359 32.060 31.700 0.001 0.000 1.331 111 G N -2.138 106.663 108.800 0.002 0.000 4.713 111 G HA2 0.244 4.206 3.960 0.003 0.000 0.318 111 G HA3 0.244 4.205 3.960 0.002 0.000 0.318 111 G C -1.575 173.325 174.900 0.001 0.000 1.435 111 G CA -1.238 43.864 45.100 0.002 0.000 0.965 111 G HN 0.023 8.313 8.290 0.001 0.000 0.542 112 P HA 0.075 4.495 4.420 -0.001 0.000 0.293 112 P C -1.082 176.218 177.300 0.001 0.000 1.285 112 P CA -0.258 62.842 63.100 0.000 0.000 0.775 112 P CB 0.751 32.452 31.700 0.001 0.000 1.351 113 Q N -2.426 117.374 119.800 0.000 0.000 2.907 113 Q HA 0.370 4.710 4.340 0.001 0.000 0.262 113 Q C -2.458 173.543 176.000 0.001 0.000 0.997 113 Q CA -1.813 53.990 55.803 0.000 0.000 0.797 113 Q CB -0.486 28.251 28.738 -0.001 0.000 1.228 113 Q HN 0.075 8.344 8.270 -0.000 0.000 0.466 114 P HA -0.135 4.287 4.420 0.003 0.000 0.250 114 P C -1.174 176.127 177.300 0.002 0.000 1.198 114 P CA 0.346 63.447 63.100 0.003 0.000 1.118 114 P CB -0.346 31.356 31.700 0.004 0.000 1.208 115 R N 3.703 124.204 120.500 0.001 0.000 2.229 115 R HA 0.138 4.478 4.340 -0.000 0.000 0.332 115 R C -1.258 175.041 176.300 -0.002 0.000 0.989 115 R CA -0.190 55.910 56.100 -0.001 0.000 0.842 115 R CB 0.885 31.184 30.300 -0.002 0.000 1.119 115 R HN -0.012 8.259 8.270 0.001 0.000 0.456 116 N N 3.519 122.217 118.700 -0.003 0.000 2.473 116 N HA -0.036 4.699 4.740 -0.007 0.000 0.319 116 N C -0.123 175.381 175.510 -0.009 0.000 0.632 116 N CA 1.175 54.221 53.050 -0.006 0.000 0.968 116 N CB 0.665 39.150 38.487 -0.005 0.000 2.133 116 N HN 0.497 8.876 8.380 -0.002 0.000 1.457 117 L N 0.446 121.665 121.223 -0.007 0.000 2.425 117 L HA 0.139 4.472 4.340 -0.011 0.000 0.215 117 L C 0.847 177.717 176.870 -0.001 0.000 1.065 117 L CA 0.082 54.917 54.840 -0.008 0.000 0.842 117 L CB 0.871 42.923 42.059 -0.011 0.000 1.033 117 L HN -0.133 8.094 8.230 -0.005 0.000 0.474 118 S N -1.360 114.341 115.700 0.002 0.000 4.157 118 S HA -0.469 4.004 4.470 0.005 0.000 0.521 118 S C 0.050 174.658 174.600 0.014 0.000 1.858 118 S CA 2.362 60.566 58.200 0.006 0.000 4.242 118 S CB -0.975 62.228 63.200 0.004 0.000 0.300 118 S HN 0.189 8.499 8.310 0.000 0.000 0.454 119 E N 4.122 124.334 120.200 0.019 0.000 2.204 119 E HA 0.148 4.523 4.350 0.043 0.000 0.276 119 E C -0.804 175.826 176.600 0.050 0.000 0.974 119 E CA -0.973 55.450 56.400 0.038 0.000 0.815 119 E CB 1.604 31.325 29.700 0.036 0.000 1.119 119 E HN -0.254 8.092 8.360 0.014 0.022 0.393 120 A N 2.698 125.567 122.820 0.081 0.000 2.407 120 A HA -0.120 4.248 4.320 -0.004 -0.049 0.257 120 A C -0.194 177.438 177.584 0.079 0.000 1.131 120 A CA 0.453 52.516 52.037 0.043 0.000 0.803 120 A CB 0.871 19.862 19.000 -0.015 0.000 1.083 120 A HN 0.220 8.434 8.150 0.107 0.000 0.512 121 K N 0.153 120.544 120.400 -0.015 0.000 2.562 121 K HA 0.219 4.588 4.320 0.082 0.000 0.206 121 K C -0.965 175.622 176.600 -0.022 0.000 1.033 121 K CA -1.185 55.111 56.287 0.015 0.000 1.029 121 K CB 0.187 32.672 32.500 -0.025 0.000 1.393 121 K HN -0.208 7.942 8.250 -0.108 0.034 0.539 122 H N 4.140 123.197 119.070 -0.021 0.000 2.683 122 H HA -0.112 4.556 4.556 -0.020 -0.124 0.339 122 H C -0.730 174.582 175.328 -0.026 0.000 1.081 122 H CA 0.408 56.444 56.048 -0.020 0.000 1.432 122 H CB 0.432 30.185 29.762 -0.016 0.000 1.462 122 H HN 0.229 8.765 8.280 0.427 0.000 0.557 123 V N 5.257 125.207 119.914 0.060 0.000 2.569 123 V HA 0.100 4.232 4.120 0.020 0.000 0.301 123 V C -0.506 175.589 176.094 0.001 0.000 1.044 123 V CA -1.155 61.153 62.300 0.014 0.000 0.874 123 V CB 2.937 34.746 31.823 -0.023 0.000 1.002 123 V HN 0.209 8.317 8.190 0.034 0.103 0.424 124 S N 6.590 122.285 115.700 -0.008 0.000 2.566 124 S HA -0.099 4.370 4.470 -0.002 0.000 0.280 124 S C 0.011 174.582 174.600 -0.047 0.000 1.343 124 S CA 1.757 59.945 58.200 -0.020 0.000 1.036 124 S CB 0.620 63.804 63.200 -0.027 0.000 0.866 124 S HN 0.472 8.778 8.310 -0.007 0.000 0.526 125 L N 1.542 122.742 121.223 -0.038 0.000 3.034 125 L HA 0.256 4.553 4.340 -0.073 0.000 0.245 125 L C -0.860 175.975 176.870 -0.058 0.000 1.295 125 L CA -0.512 54.298 54.840 -0.050 0.000 1.068 125 L CB -0.480 41.566 42.059 -0.022 0.000 1.426 125 L HN 0.541 8.757 8.230 -0.023 0.000 0.531 126 K N -0.659 119.698 120.400 -0.071 0.000 2.792 126 K HA 0.190 4.479 4.320 -0.052 0.000 0.207 126 K C -0.657 175.887 176.600 -0.092 0.000 1.103 126 K CA 0.463 56.712 56.287 -0.063 0.000 1.048 126 K CB -0.202 32.274 32.500 -0.040 0.000 0.777 126 K HN 0.026 8.149 8.250 -0.078 0.080 0.468 127 M N -7.941 111.559 119.600 -0.166 0.000 1.474 127 M HA 0.031 4.406 4.480 -0.175 0.000 0.250 127 M C -1.270 174.653 176.300 -0.627 0.000 0.846 127 M CA 0.909 56.057 55.300 -0.253 0.000 0.945 127 M CB 0.660 33.154 32.600 -0.176 0.000 1.947 127 M HN -0.403 7.717 8.290 -0.180 0.062 0.769 128 A N 0.974 123.456 122.820 -0.564 0.000 2.377 128 A HA -0.179 3.607 4.320 -1.065 -0.104 0.274 128 A C -0.961 176.082 177.584 -0.901 0.000 1.178 128 A CA 0.909 52.477 52.037 -0.783 0.000 0.836 128 A CB 1.226 20.042 19.000 -0.308 0.000 1.111 128 A HN -0.413 7.538 8.150 -0.333 0.000 0.517 129 Y N -8.412 111.874 120.300 -0.023 0.000 2.357 129 Y HA 0.195 4.738 4.550 -0.012 0.000 0.319 129 Y C -2.138 173.739 175.900 -0.038 0.000 1.225 129 Y CA -2.714 55.373 58.100 -0.021 0.000 1.095 129 Y CB 0.633 39.084 38.460 -0.016 0.000 1.302 129 Y HN 0.192 8.390 8.280 -0.136 0.000 0.429 130 V N 2.547 122.537 119.914 0.126 0.000 2.863 130 V HA 0.523 4.787 4.120 0.023 -0.129 0.307 130 V C -0.598 175.521 176.094 0.042 0.000 1.061 130 V CA -2.202 60.131 62.300 0.055 0.000 1.024 130 V CB 2.560 34.410 31.823 0.045 0.000 1.049 130 V HN -0.009 8.250 8.190 0.115 0.000 0.471 131 S N 4.198 119.898 115.700 0.001 0.000 2.562 131 S HA 0.160 4.644 4.470 0.024 0.000 0.274 131 S C -1.754 172.850 174.600 0.006 0.000 1.160 131 S CA -0.734 57.470 58.200 0.006 0.000 0.933 131 S CB 2.173 65.370 63.200 -0.005 0.000 1.100 131 S HN 0.631 8.923 8.310 -0.030 0.000 0.468 132 R N 5.635 126.157 120.500 0.037 0.000 2.287 132 R HA 0.389 4.889 4.340 0.047 -0.132 0.327 132 R C -0.562 175.796 176.300 0.098 0.000 1.109 132 R CA -0.896 55.241 56.100 0.060 0.000 1.013 132 R CB 0.137 30.476 30.300 0.066 0.000 1.126 132 R HN 0.403 8.697 8.270 0.040 0.000 0.503 133 R N 4.288 124.878 120.500 0.151 0.000 2.571 133 R HA 0.057 4.493 4.340 0.161 0.000 0.259 133 R C -1.222 175.228 176.300 0.251 0.000 1.226 133 R CA 0.159 56.396 56.100 0.229 0.000 1.157 133 R CB 1.481 32.008 30.300 0.378 0.000 1.220 133 R HN -0.123 8.167 8.270 0.125 0.055 0.605 134 C N -2.944 116.474 119.300 0.198 0.000 2.994 134 C HA 0.118 4.664 4.460 0.143 0.000 0.304 134 C C -1.241 173.751 174.990 0.003 0.000 1.273 134 C CA -1.832 57.252 59.018 0.110 0.000 1.537 134 C CB 2.872 30.652 27.740 0.066 0.000 2.001 134 C HN 0.370 8.709 8.230 0.182 0.000 0.471 135 T N 3.961 118.476 114.554 -0.065 0.000 2.928 135 T HA 0.319 4.548 4.350 -0.201 0.000 0.284 135 T C -1.622 173.031 174.700 -0.077 0.000 1.008 135 T CA -2.670 59.342 62.100 -0.147 0.000 1.057 135 T CB -0.549 68.198 68.868 -0.203 0.000 1.018 135 T HN 0.360 8.584 8.240 -0.026 0.000 0.493 136 P HA -0.078 4.323 4.420 -0.032 0.000 0.218 136 P C -0.241 177.035 177.300 -0.040 0.000 1.146 136 P CA 1.893 64.966 63.100 -0.046 0.000 0.813 136 P CB 0.039 31.711 31.700 -0.046 0.000 0.778 137 T N -8.169 106.353 114.554 -0.052 0.000 3.004 137 T HA -0.073 4.257 4.350 -0.033 0.000 0.243 137 T C -0.480 174.198 174.700 -0.037 0.000 1.020 137 T CA -0.718 61.356 62.100 -0.043 0.000 1.145 137 T CB 0.708 69.547 68.868 -0.050 0.000 0.876 137 T HN -0.581 7.583 8.240 -0.070 0.033 0.449 138 D N 2.051 122.424 120.400 -0.046 0.000 3.133 138 D HA -0.155 4.466 4.640 -0.032 0.000 0.239 138 D C -0.771 175.512 176.300 -0.028 0.000 1.136 138 D CA 0.098 54.080 54.000 -0.030 0.000 0.898 138 D CB 0.325 41.117 40.800 -0.013 0.000 0.959 138 D HN -0.234 8.098 8.370 -0.064 0.000 0.415 139 P HA -0.072 4.329 4.420 -0.032 0.000 0.215 139 P C -0.099 177.186 177.300 -0.023 0.000 1.157 139 P CA 1.356 64.434 63.100 -0.036 0.000 0.859 139 P CB 0.642 32.310 31.700 -0.053 0.000 0.786 140 E N -6.615 113.574 120.200 -0.019 0.000 2.384 140 E HA 0.135 4.484 4.350 -0.002 0.000 0.274 140 E C -2.767 173.836 176.600 0.005 0.000 1.095 140 E CA 0.226 56.622 56.400 -0.006 0.000 1.979 140 E CB 0.097 29.792 29.700 -0.009 0.000 2.946 140 E HN 0.134 8.480 8.360 -0.024 0.000 1.059 141 P HA 0.007 4.572 4.420 0.030 -0.127 0.276 141 P C -0.561 176.768 177.300 0.047 0.000 1.264 141 P CA -0.122 62.989 63.100 0.019 0.000 0.769 141 P CB -0.096 31.602 31.700 -0.003 0.000 0.840 142 R N 1.364 121.905 120.500 0.070 0.000 2.827 142 R HA -0.140 4.261 4.340 0.102 0.000 0.269 142 R C 0.118 176.529 176.300 0.185 0.000 1.048 142 R CA 0.518 56.683 56.100 0.109 0.000 1.173 142 R CB 0.801 31.159 30.300 0.095 0.000 1.070 142 R HN 0.107 8.414 8.270 0.061 0.000 0.498 143 Y N -0.239 120.090 120.300 0.048 0.000 2.299 143 Y HA -0.010 4.589 4.550 0.082 0.000 0.326 143 Y C -0.826 175.128 175.900 0.089 0.000 1.164 143 Y CA 0.347 58.499 58.100 0.087 0.000 1.234 143 Y CB 1.247 39.783 38.460 0.127 0.000 1.219 143 Y HN -0.324 8.125 8.280 0.281 0.000 0.497 144 L N 3.919 125.001 121.223 -0.234 0.000 2.362 144 L HA 0.388 4.802 4.340 -0.087 -0.126 0.271 144 L C -1.848 174.798 176.870 -0.374 0.000 1.002 144 L CA -0.864 53.857 54.840 -0.199 0.000 0.818 144 L CB 3.926 45.909 42.059 -0.126 0.000 1.298 144 L HN 0.306 8.249 8.230 -0.478 0.000 0.420 145 E N 3.480 123.499 120.200 -0.301 0.000 2.291 145 E HA 0.662 4.823 4.350 -0.676 -0.217 0.276 145 E C -2.121 174.296 176.600 -0.305 0.000 0.896 145 E CA -1.513 54.586 56.400 -0.502 0.000 0.774 145 E CB 4.191 33.522 29.700 -0.614 0.000 1.227 145 E HN 0.714 8.969 8.360 -0.176 0.000 0.413 146 I N 5.888 126.278 120.570 -0.300 0.000 2.439 146 I HA 0.342 4.651 4.170 -0.057 -0.174 0.285 146 I C -1.375 174.689 176.117 -0.089 0.000 1.021 146 I CA -1.080 60.143 61.300 -0.128 0.000 1.091 146 I CB 2.976 40.921 38.000 -0.093 0.000 1.242 146 I HN 0.260 8.227 8.210 -0.405 0.000 0.439 147 C N 7.962 127.304 119.300 0.070 0.000 2.350 147 C HA 0.593 5.278 4.460 0.051 -0.194 0.348 147 C C -1.246 173.824 174.990 0.132 0.000 1.260 147 C CA -2.400 56.718 59.018 0.167 0.000 1.966 147 C CB 1.298 29.208 27.740 0.284 0.000 2.380 147 C HN 0.705 9.032 8.230 0.162 0.000 0.535 148 A N 3.318 126.162 122.820 0.040 0.000 2.340 148 A HA 0.384 4.555 4.320 -0.248 0.000 0.331 148 A C -1.257 176.306 177.584 -0.035 0.000 1.140 148 A CA -1.684 50.301 52.037 -0.087 0.000 0.801 148 A CB 3.300 22.263 19.000 -0.062 0.000 1.234 148 A HN 0.045 8.113 8.150 0.062 0.118 0.469 149 A N 0.707 123.455 122.820 -0.120 0.000 2.640 149 A HA 0.024 4.375 4.320 0.051 0.000 0.282 149 A C -1.034 176.539 177.584 -0.018 0.000 1.357 149 A CA 0.521 52.539 52.037 -0.030 0.000 0.946 149 A CB -0.833 18.131 19.000 -0.059 0.000 1.065 149 A HN 0.473 8.490 8.150 -0.223 0.000 0.541 150 D N -1.219 119.171 120.400 -0.017 0.000 3.008 150 D HA 0.068 4.703 4.640 -0.008 0.000 0.312 150 D C 0.115 176.418 176.300 0.005 0.000 1.361 150 D CA -0.578 53.417 54.000 -0.009 0.000 0.858 150 D CB 0.002 40.792 40.800 -0.016 0.000 1.098 150 D HN -0.435 7.817 8.370 -0.019 0.106 0.482 151 G N -0.364 108.445 108.800 0.016 0.000 2.147 151 G HA2 -0.240 3.733 3.960 0.020 0.000 0.128 151 G HA3 -0.240 3.730 3.960 0.016 0.000 0.128 151 G C -0.585 174.335 174.900 0.033 0.000 1.026 151 G CA -0.245 44.867 45.100 0.021 0.000 0.693 151 G HN -0.239 7.993 8.290 0.021 0.071 0.499 152 Q N -2.057 117.771 119.800 0.047 0.000 2.457 152 Q HA -0.461 4.015 4.340 0.092 -0.080 0.333 152 Q C -1.365 174.673 176.000 0.063 0.000 1.448 152 Q CA 0.872 56.715 55.803 0.067 0.000 0.891 152 Q CB -2.039 26.734 28.738 0.058 0.000 1.142 152 Q HN 0.176 8.475 8.270 0.047 0.000 0.375 153 D N -0.664 119.770 120.400 0.056 0.000 2.312 153 D HA 0.060 4.728 4.640 0.046 0.000 0.248 153 D C -0.959 175.370 176.300 0.050 0.000 1.086 153 D CA 0.414 54.440 54.000 0.043 0.000 0.948 153 D CB 1.298 42.108 40.800 0.017 0.000 1.162 153 D HN -0.519 7.883 8.370 0.053 0.000 0.446 154 A N 0.277 123.124 122.820 0.044 0.000 2.741 154 A HA 0.300 4.791 4.320 -0.090 -0.225 0.298 154 A C -1.453 176.111 177.584 -0.033 0.000 1.153 154 A CA -0.505 51.530 52.037 -0.004 0.000 0.816 154 A CB 1.077 20.174 19.000 0.161 0.000 1.396 154 A HN -0.060 8.121 8.150 0.052 0.000 0.407 155 V N -0.285 119.535 119.914 -0.156 0.000 2.427 155 V HA 0.313 4.426 4.120 -0.011 0.000 0.268 155 V C -1.613 174.306 176.094 -0.291 0.000 1.046 155 V CA -0.628 61.594 62.300 -0.129 0.000 0.970 155 V CB 0.228 31.980 31.823 -0.119 0.000 1.001 155 V HN 0.021 8.112 8.190 -0.165 0.000 0.476 156 F N 7.512 127.376 119.950 -0.143 0.000 2.388 156 F HA 0.449 4.987 4.527 -0.242 -0.156 0.358 156 F C -0.714 174.989 175.800 -0.162 0.000 1.122 156 F CA -1.107 56.777 58.000 -0.194 0.000 1.056 156 F CB 1.261 40.190 39.000 -0.118 0.000 1.155 156 F HN 0.127 8.542 8.300 0.192 0.000 0.461 157 L N 1.494 122.717 121.223 -0.000 0.000 2.309 157 L HA 0.572 5.352 4.340 0.544 -0.113 0.261 157 L C -1.339 175.663 176.870 0.220 0.000 1.021 157 L CA -1.344 53.641 54.840 0.242 0.000 0.823 157 L CB 4.558 46.632 42.059 0.024 0.000 1.366 157 L HN 0.280 8.380 8.230 -0.217 0.000 0.423 158 R N -0.084 120.559 120.500 0.239 0.000 2.576 158 R HA 0.340 4.712 4.340 0.054 0.000 0.283 158 R C -0.617 175.646 176.300 -0.062 0.000 1.493 158 R CA -1.611 54.472 56.100 -0.028 0.000 1.170 158 R CB 1.489 31.534 30.300 -0.425 0.000 1.189 158 R HN -0.287 8.234 8.270 0.419 0.000 0.542 159 A N 5.777 128.581 122.820 -0.027 0.000 2.482 159 A HA -0.161 4.131 4.320 -0.046 0.000 0.249 159 A C -0.197 177.371 177.584 -0.028 0.000 1.114 159 A CA 0.691 52.711 52.037 -0.029 0.000 0.797 159 A CB 0.756 19.758 19.000 0.003 0.000 1.067 159 A HN 0.596 8.740 8.150 -0.011 0.000 0.514 160 K N -1.910 118.484 120.400 -0.010 0.000 2.276 160 K HA -0.052 4.247 4.320 -0.035 0.000 0.198 160 K C -0.255 176.348 176.600 0.006 0.000 1.052 160 K CA 0.324 56.604 56.287 -0.012 0.000 0.984 160 K CB 0.097 32.594 32.500 -0.006 0.000 0.836 160 K HN 0.285 8.536 8.250 0.002 0.000 0.490 161 D N -0.732 119.686 120.400 0.031 0.000 2.332 161 D HA 0.114 4.769 4.640 0.026 0.000 0.252 161 D C -0.004 176.324 176.300 0.047 0.000 1.050 161 D CA -1.236 52.788 54.000 0.039 0.000 0.970 161 D CB 2.299 43.133 40.800 0.056 0.000 1.141 161 D HN -0.720 7.675 8.370 0.042 0.000 0.485 162 E N 2.382 122.606 120.200 0.040 0.000 2.057 162 E HA -0.176 4.201 4.350 0.045 0.000 0.190 162 E C 1.169 177.801 176.600 0.054 0.000 0.969 162 E CA 2.951 59.377 56.400 0.042 0.000 0.812 162 E CB 0.328 30.046 29.700 0.029 0.000 0.777 162 E HN 0.503 8.883 8.360 0.033 0.000 0.455 163 A N -1.428 121.420 122.820 0.047 0.000 1.969 163 A HA -0.206 4.138 4.320 0.039 0.000 0.218 163 A C 2.099 179.722 177.584 0.065 0.000 1.169 163 A CA 2.779 54.842 52.037 0.043 0.000 0.635 163 A CB -0.658 18.358 19.000 0.026 0.000 0.810 163 A HN -0.083 8.090 8.150 0.039 0.000 0.445 164 S N -0.516 115.243 115.700 0.097 0.000 2.345 164 S HA -0.347 4.204 4.470 0.134 0.000 0.220 164 S C 1.780 176.550 174.600 0.283 0.000 1.031 164 S CA 3.630 61.939 58.200 0.181 0.000 0.996 164 S CB -0.105 63.219 63.200 0.206 0.000 0.882 164 S HN -0.316 8.022 8.310 0.083 0.022 0.445 165 A N 0.718 123.658 122.820 0.199 0.000 1.933 165 A HA -0.241 4.208 4.320 0.215 0.000 0.218 165 A C 1.728 179.415 177.584 0.172 0.000 1.175 165 A CA 3.022 55.166 52.037 0.179 0.000 0.628 165 A CB -0.762 18.296 19.000 0.097 0.000 0.814 165 A HN -0.506 7.729 8.150 0.141 0.000 0.444 166 R N -1.961 118.613 120.500 0.124 0.000 2.073 166 R HA -0.278 4.116 4.340 0.091 0.000 0.229 166 R C 1.735 178.086 176.300 0.084 0.000 1.120 166 R CA 3.224 59.379 56.100 0.091 0.000 0.967 166 R CB -0.062 30.274 30.300 0.061 0.000 0.862 166 R HN -0.255 8.066 8.270 0.109 0.015 0.436 167 S N 0.243 115.983 115.700 0.067 0.000 2.402 167 S HA -0.224 4.237 4.470 -0.015 0.000 0.229 167 S C 2.394 176.983 174.600 -0.019 0.000 1.021 167 S CA 3.963 62.159 58.200 -0.007 0.000 0.974 167 S CB -0.337 62.823 63.200 -0.066 0.000 0.800 167 S HN 0.239 8.477 8.310 0.078 0.119 0.484 168 W N 1.326 122.624 121.300 -0.003 0.000 2.408 168 W HA -0.320 4.334 4.660 -0.009 0.000 0.311 168 W C 1.083 177.595 176.519 -0.011 0.000 1.190 168 W CA 3.870 61.211 57.345 -0.008 0.000 1.321 168 W CB 0.114 29.569 29.460 -0.009 0.000 1.143 168 W HN 0.340 8.474 8.180 0.275 0.211 0.501 169 A N -1.734 121.245 122.820 0.265 0.000 1.865 169 A HA -0.437 3.973 4.320 0.150 0.000 0.217 169 A C 1.965 179.611 177.584 0.103 0.000 1.191 169 A CA 3.072 55.199 52.037 0.149 0.000 0.623 169 A CB -0.960 18.097 19.000 0.095 0.000 0.826 169 A HN -0.035 8.272 8.150 0.261 0.000 0.444 170 G N -3.137 105.707 108.800 0.073 0.000 2.440 170 G HA2 -0.407 3.576 3.960 0.038 0.000 0.218 170 G HA3 -0.407 3.566 3.960 0.022 0.000 0.218 170 G C 0.941 175.854 174.900 0.022 0.000 1.154 170 G CA 1.642 46.764 45.100 0.037 0.000 0.767 170 G HN -0.266 8.072 8.290 0.080 0.000 0.552 171 A N 1.946 124.769 122.820 0.004 0.000 1.898 171 A HA -0.184 4.110 4.320 -0.043 0.000 0.216 171 A C 1.951 179.548 177.584 0.023 0.000 1.181 171 A CA 2.564 54.580 52.037 -0.036 0.000 0.620 171 A CB -0.579 18.323 19.000 -0.163 0.000 0.819 171 A HN -0.531 7.539 8.150 0.009 0.085 0.442 172 I N -2.317 118.314 120.570 0.102 0.000 2.567 172 I HA -0.556 3.687 4.170 0.121 0.000 0.257 172 I C 1.968 178.122 176.117 0.063 0.000 1.184 172 I CA 3.950 65.320 61.300 0.117 0.000 1.451 172 I CB -0.305 37.788 38.000 0.155 0.000 1.089 172 I HN 0.307 8.530 8.210 0.143 0.074 0.441 173 Q N -0.324 119.507 119.800 0.053 0.000 2.269 173 Q HA -0.235 4.134 4.340 0.049 0.000 0.201 173 Q C 1.197 177.213 176.000 0.026 0.000 0.946 173 Q CA 2.775 58.603 55.803 0.043 0.000 0.877 173 Q CB -0.116 28.648 28.738 0.043 0.000 0.963 173 Q HN -0.251 7.887 8.270 0.057 0.166 0.472 174 A N -1.206 121.623 122.820 0.015 0.000 1.873 174 A HA -0.197 4.125 4.320 0.004 0.000 0.215 174 A C 2.472 180.058 177.584 0.002 0.000 1.186 174 A CA 2.612 54.650 52.037 0.002 0.000 0.616 174 A CB -0.976 18.015 19.000 -0.015 0.000 0.823 174 A HN -0.778 7.245 8.150 0.015 0.136 0.442 175 Q N -2.918 116.884 119.800 0.004 0.000 2.079 175 Q HA -0.198 4.140 4.340 -0.003 0.000 0.200 175 Q C 2.241 178.242 176.000 0.001 0.000 0.974 175 Q CA 2.200 58.005 55.803 0.002 0.000 0.840 175 Q CB 0.318 29.062 28.738 0.009 0.000 0.898 175 Q HN -0.416 7.859 8.270 0.008 0.000 0.430 176 I N -4.134 116.438 120.570 0.005 0.000 3.291 176 I HA -0.168 3.988 4.170 -0.025 0.000 0.279 176 I C 0.699 176.820 176.117 0.006 0.000 1.294 176 I CA 1.146 62.442 61.300 -0.007 0.000 1.428 176 I CB -0.137 37.860 38.000 -0.005 0.000 1.070 176 I HN -0.605 7.614 8.210 0.015 0.000 0.478 177 G N -2.295 106.513 108.800 0.014 0.000 3.379 177 G HA2 0.010 3.988 3.960 0.030 0.000 0.253 177 G HA3 0.010 4.019 3.960 0.019 -0.038 0.253 177 G C -0.801 174.106 174.900 0.011 0.000 1.262 177 G CA -0.361 44.750 45.100 0.019 0.000 0.959 177 G HN -0.480 7.614 8.290 0.011 0.203 0.524 178 T N 0.000 114.556 114.554 0.004 0.000 3.816 178 T HA 0.000 4.351 4.350 0.001 0.000 0.228 178 T CA 0.000 62.100 62.100 0.001 0.000 1.349 178 T CB 0.000 68.865 68.868 -0.006 0.000 0.612 178 T HN 0.000 8.122 8.240 -0.000 0.118 0.658