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 1br0_1_A DATA FIRST_RESID 27 DATA SEQUENCE DRFMDEFFEQ VEEIRGFIDK IAENVEEVKR KHSAILASPN PDEKTKEELE DATA SEQUENCE ELMSDIKKTA NKVRSKLKSI EQSIEQEEGL NRSSADLRIR KTQHSTLSRK DATA SEQUENCE FVEVMSEYNA TQSDYRERSK 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 27 D HA 0.000 4.689 4.640 0.081 0.000 0.175 27 D C 0.000 176.323 176.300 0.038 0.000 2.045 27 D CA 0.000 54.041 54.000 0.069 0.000 0.868 27 D CB 0.000 40.821 40.800 0.034 0.000 0.688 28 R N -0.060 120.400 120.500 -0.066 0.000 2.081 28 R HA -0.255 4.012 4.340 -0.122 0.000 0.235 28 R C 2.061 178.231 176.300 -0.216 0.000 1.131 28 R CA 3.160 59.127 56.100 -0.221 0.000 0.960 28 R CB -0.113 29.930 30.300 -0.428 0.000 0.856 28 R HN 0.057 8.290 8.270 -0.061 0.000 0.436 29 F N -1.198 118.778 119.950 0.044 0.000 2.163 29 F HA -0.131 4.428 4.527 0.053 0.000 0.297 29 F C 2.122 177.964 175.800 0.070 0.000 1.094 29 F CA 3.023 61.050 58.000 0.044 0.000 1.290 29 F CB -0.934 38.072 39.000 0.009 0.000 1.017 29 F HN -0.307 7.959 8.300 -0.057 0.000 0.483 30 M N -2.318 117.421 119.600 0.232 0.000 2.254 30 M HA -0.339 4.204 4.480 0.104 0.000 0.265 30 M C 1.710 178.220 176.300 0.351 0.000 1.066 30 M CA 1.596 57.015 55.300 0.197 0.000 1.123 30 M CB -1.536 31.163 32.600 0.164 0.000 1.388 30 M HN -0.209 8.232 8.290 0.253 0.000 0.425 31 D N -0.205 120.354 120.400 0.265 0.000 2.123 31 D HA -0.332 4.497 4.640 0.315 0.000 0.196 31 D C 1.853 178.273 176.300 0.201 0.000 0.992 31 D CA 4.222 58.360 54.000 0.230 0.000 0.833 31 D CB 0.181 41.043 40.800 0.104 0.000 0.954 31 D HN -0.410 8.073 8.370 0.188 0.000 0.455 32 E N -0.885 119.402 120.200 0.144 0.000 2.106 32 E HA -0.358 4.043 4.350 0.086 0.000 0.192 32 E C 2.005 178.690 176.600 0.141 0.000 0.984 32 E CA 2.303 58.771 56.400 0.114 0.000 0.806 32 E CB -0.616 29.125 29.700 0.068 0.000 0.750 32 E HN -0.619 7.814 8.360 0.122 0.000 0.458 33 F N 1.730 121.692 119.950 0.019 0.000 2.120 33 F HA -0.439 4.048 4.527 -0.066 0.000 0.300 33 F C 1.746 177.477 175.800 -0.116 0.000 1.095 33 F CA 3.568 61.522 58.000 -0.076 0.000 1.249 33 F CB 0.231 39.143 39.000 -0.146 0.000 0.995 33 F HN -0.671 7.812 8.300 0.307 0.000 0.480 34 F N -2.954 117.125 119.950 0.215 0.000 2.206 34 F HA -0.385 4.200 4.527 0.097 0.000 0.298 34 F C 2.225 178.041 175.800 0.028 0.000 1.090 34 F CA 3.630 61.694 58.000 0.107 0.000 1.323 34 F CB -0.441 38.630 39.000 0.118 0.000 1.028 34 F HN -0.362 8.189 8.300 0.418 0.000 0.492 35 E N -0.870 119.442 120.200 0.187 0.000 2.077 35 E HA -0.388 4.020 4.350 0.096 0.000 0.193 35 E C 2.288 178.908 176.600 0.034 0.000 0.989 35 E CA 2.700 59.157 56.400 0.094 0.000 0.800 35 E CB 0.051 29.800 29.700 0.082 0.000 0.746 35 E HN -0.679 7.804 8.360 0.205 0.000 0.452 36 Q N -3.011 116.778 119.800 -0.018 0.000 2.224 36 Q HA -0.193 4.124 4.340 -0.039 0.000 0.203 36 Q C 2.213 178.147 176.000 -0.110 0.000 0.970 36 Q CA 2.484 58.241 55.803 -0.076 0.000 0.865 36 Q CB -0.180 28.482 28.738 -0.127 0.000 0.922 36 Q HN -0.382 7.882 8.270 -0.010 0.000 0.445 37 V N 1.431 121.267 119.914 -0.130 0.000 2.295 37 V HA -0.442 3.587 4.120 -0.151 0.000 0.246 37 V C 1.885 177.970 176.094 -0.014 0.000 1.049 37 V CA 3.450 65.685 62.300 -0.108 0.000 1.024 37 V CB -0.833 30.917 31.823 -0.122 0.000 0.648 37 V HN -0.567 7.548 8.190 -0.124 0.000 0.447 38 E N -2.166 118.050 120.200 0.028 0.000 2.219 38 E HA -0.362 4.017 4.350 0.047 0.000 0.198 38 E C 1.411 178.046 176.600 0.057 0.000 0.998 38 E CA 3.043 59.471 56.400 0.046 0.000 0.818 38 E CB -0.386 29.345 29.700 0.052 0.000 0.741 38 E HN -0.477 7.904 8.360 0.034 0.000 0.477 39 E N -2.427 117.814 120.200 0.068 0.000 2.051 39 E HA -0.165 4.259 4.350 0.123 0.000 0.189 39 E C 1.952 178.708 176.600 0.261 0.000 0.979 39 E CA 2.013 58.498 56.400 0.143 0.000 0.803 39 E CB -0.169 29.625 29.700 0.156 0.000 0.761 39 E HN -0.769 7.562 8.360 0.038 0.051 0.451 40 I N 1.053 121.697 120.570 0.123 0.000 2.264 40 I HA -0.426 3.843 4.170 0.165 0.000 0.248 40 I C 2.289 178.483 176.117 0.128 0.000 1.111 40 I CA 1.824 63.167 61.300 0.071 0.000 1.382 40 I CB -1.150 36.754 38.000 -0.161 0.000 1.060 40 I HN -0.544 7.678 8.210 0.021 0.000 0.418 41 R N -1.593 118.953 120.500 0.078 0.000 2.159 41 R HA -0.336 4.042 4.340 0.063 0.000 0.237 41 R C 2.655 179.003 176.300 0.081 0.000 1.131 41 R CA 3.723 59.865 56.100 0.070 0.000 0.982 41 R CB -0.790 29.538 30.300 0.046 0.000 0.868 41 R HN 0.375 8.680 8.270 0.057 0.000 0.453 42 G N -0.729 108.128 108.800 0.095 0.000 2.404 42 G HA2 -0.217 3.745 3.960 0.004 0.000 0.215 42 G HA3 -0.217 3.770 3.960 0.003 -0.026 0.215 42 G C 1.191 176.100 174.900 0.015 0.000 1.174 42 G CA 1.650 46.770 45.100 0.032 0.000 0.780 42 G HN -0.222 7.987 8.290 0.132 0.160 0.537 43 F N 1.791 121.732 119.950 -0.015 0.000 2.161 43 F HA -0.315 4.205 4.527 -0.010 0.000 0.300 43 F C 2.133 177.944 175.800 0.017 0.000 1.089 43 F CA 3.473 61.468 58.000 -0.008 0.000 1.282 43 F CB -0.207 38.780 39.000 -0.022 0.000 1.010 43 F HN -0.670 7.827 8.300 0.439 0.067 0.485 44 I N -1.614 119.074 120.570 0.196 0.000 2.163 44 I HA -0.513 3.780 4.170 0.204 0.000 0.240 44 I C 1.942 178.106 176.117 0.078 0.000 1.081 44 I CA 2.146 63.536 61.300 0.149 0.000 1.353 44 I CB -1.496 36.578 38.000 0.123 0.000 1.054 44 I HN 0.167 8.496 8.210 0.199 0.000 0.407 45 D N 0.040 120.468 120.400 0.047 0.000 2.149 45 D HA -0.375 4.271 4.640 0.010 0.000 0.198 45 D C 2.447 178.740 176.300 -0.013 0.000 0.990 45 D CA 3.874 57.882 54.000 0.012 0.000 0.839 45 D CB 0.124 40.926 40.800 0.004 0.000 0.948 45 D HN -0.447 7.958 8.370 0.058 0.000 0.460 46 K N -1.458 118.928 120.400 -0.025 0.000 2.209 46 K HA -0.231 4.050 4.320 -0.065 0.000 0.204 46 K C 2.611 179.177 176.600 -0.056 0.000 1.048 46 K CA 2.081 58.333 56.287 -0.059 0.000 0.940 46 K CB -0.503 31.926 32.500 -0.118 0.000 0.729 46 K HN -0.234 8.009 8.250 -0.011 0.000 0.451 47 I N -0.414 120.138 120.570 -0.030 0.000 2.206 47 I HA -0.423 3.669 4.170 -0.131 0.000 0.239 47 I C 1.420 177.482 176.117 -0.092 0.000 1.078 47 I CA 1.347 62.598 61.300 -0.083 0.000 1.367 47 I CB -1.152 36.814 38.000 -0.056 0.000 1.078 47 I HN -0.629 7.591 8.210 0.017 0.000 0.413 48 A N -0.906 121.882 122.820 -0.052 0.000 2.032 48 A HA -0.384 3.904 4.320 -0.054 0.000 0.221 48 A C 2.191 179.751 177.584 -0.041 0.000 1.165 48 A CA 3.170 55.180 52.037 -0.044 0.000 0.645 48 A CB -0.665 18.323 19.000 -0.021 0.000 0.807 48 A HN -0.259 7.877 8.150 -0.023 0.000 0.453 49 E N -2.611 117.563 120.200 -0.042 0.000 2.051 49 E HA -0.333 3.999 4.350 -0.031 0.000 0.189 49 E C 1.968 178.537 176.600 -0.051 0.000 0.979 49 E CA 2.709 59.084 56.400 -0.040 0.000 0.803 49 E CB -0.601 29.077 29.700 -0.037 0.000 0.761 49 E HN -0.107 8.176 8.360 -0.045 0.050 0.451 50 N N 0.328 118.985 118.700 -0.072 0.000 2.166 50 N HA -0.207 4.494 4.740 -0.066 0.000 0.186 50 N C 2.217 177.671 175.510 -0.092 0.000 1.019 50 N CA 2.632 55.630 53.050 -0.086 0.000 0.856 50 N CB -0.510 37.910 38.487 -0.112 0.000 0.993 50 N HN -0.745 7.588 8.380 -0.077 0.000 0.426 51 V N 0.275 120.125 119.914 -0.107 0.000 2.307 51 V HA -0.400 3.712 4.120 -0.013 0.000 0.245 51 V C 1.774 177.854 176.094 -0.024 0.000 1.045 51 V CA 4.348 66.617 62.300 -0.052 0.000 1.024 51 V CB -0.901 30.891 31.823 -0.052 0.000 0.651 51 V HN 0.554 8.673 8.190 -0.119 0.000 0.449 52 E N -1.359 118.825 120.200 -0.027 0.000 2.171 52 E HA -0.384 3.960 4.350 -0.009 0.000 0.197 52 E C 2.711 179.300 176.600 -0.018 0.000 0.997 52 E CA 2.968 59.358 56.400 -0.017 0.000 0.810 52 E CB -0.657 29.034 29.700 -0.015 0.000 0.738 52 E HN -0.598 7.740 8.360 -0.037 0.000 0.467 53 E N -0.585 119.599 120.200 -0.026 0.000 2.046 53 E HA -0.223 4.120 4.350 -0.011 0.000 0.190 53 E C 2.481 179.062 176.600 -0.031 0.000 0.982 53 E CA 2.729 59.115 56.400 -0.022 0.000 0.800 53 E CB 0.024 29.710 29.700 -0.024 0.000 0.756 53 E HN -0.785 7.537 8.360 -0.034 0.018 0.449 54 V N -0.620 119.253 119.914 -0.069 0.000 2.324 54 V HA -0.513 3.510 4.120 -0.162 0.000 0.250 54 V C 1.940 177.932 176.094 -0.170 0.000 1.060 54 V CA 4.123 66.312 62.300 -0.185 0.000 1.042 54 V CB -0.946 30.720 31.823 -0.261 0.000 0.650 54 V HN -0.436 7.720 8.190 -0.057 0.000 0.450 55 K N -2.351 118.005 120.400 -0.074 0.000 2.147 55 K HA -0.302 4.029 4.320 0.019 0.000 0.205 55 K C 1.389 178.013 176.600 0.041 0.000 1.049 55 K CA 2.860 59.147 56.287 -0.000 0.000 0.936 55 K CB -0.054 32.448 32.500 0.004 0.000 0.722 55 K HN -0.258 7.926 8.250 -0.061 0.029 0.446 56 R N -3.509 117.009 120.500 0.031 0.000 2.093 56 R HA -0.102 4.265 4.340 0.045 0.000 0.224 56 R C 2.053 178.398 176.300 0.075 0.000 1.101 56 R CA 1.947 58.074 56.100 0.045 0.000 0.979 56 R CB -0.287 30.030 30.300 0.028 0.000 0.877 56 R HN -0.691 7.477 8.270 0.011 0.109 0.441 57 K N -1.443 119.013 120.400 0.093 0.000 2.025 57 K HA -0.116 4.276 4.320 0.119 0.000 0.207 57 K C 1.818 178.577 176.600 0.266 0.000 1.049 57 K CA 2.373 58.752 56.287 0.153 0.000 0.933 57 K CB -0.093 32.493 32.500 0.145 0.000 0.714 57 K HN -0.534 7.752 8.250 0.061 0.000 0.438 58 H N -2.709 116.436 119.070 0.124 0.000 2.545 58 H HA -0.193 4.589 4.556 0.377 0.000 0.282 58 H C 1.937 177.339 175.328 0.123 0.000 1.020 58 H CA 1.844 58.019 56.048 0.210 0.000 1.243 58 H CB 0.321 30.197 29.762 0.190 0.000 1.377 58 H HN 0.057 8.519 8.280 0.304 0.000 0.581 59 S N -2.268 113.531 115.700 0.164 0.000 2.486 59 S HA -0.149 4.349 4.470 0.048 0.000 0.220 59 S C 0.318 174.939 174.600 0.036 0.000 1.011 59 S CA 0.933 59.176 58.200 0.073 0.000 0.921 59 S CB -0.345 62.893 63.200 0.063 0.000 0.785 59 S HN 0.001 8.340 8.310 0.182 0.081 0.517 60 A N 0.064 122.913 122.820 0.050 0.000 1.997 60 A HA 0.040 4.366 4.320 0.010 0.000 0.212 60 A C 1.254 178.843 177.584 0.010 0.000 1.178 60 A CA 2.243 54.296 52.037 0.026 0.000 0.698 60 A CB 0.467 19.489 19.000 0.036 0.000 0.842 60 A HN -0.768 7.433 8.150 0.085 0.000 0.458 61 I N -3.594 116.996 120.570 0.034 0.000 3.172 61 I HA -0.182 3.986 4.170 -0.003 0.000 0.278 61 I C 1.542 177.550 176.117 -0.180 0.000 1.174 61 I CA 2.339 63.651 61.300 0.020 0.000 1.445 61 I CB 0.620 38.715 38.000 0.158 0.000 1.175 61 I HN -0.519 7.746 8.210 0.090 0.000 0.447 62 L N 1.043 122.033 121.223 -0.388 0.000 2.171 62 L HA -0.298 2.918 4.340 -1.874 0.000 0.216 62 L C -0.198 176.378 176.870 -0.490 0.000 1.084 62 L CA 2.929 57.249 54.840 -0.867 0.000 0.771 62 L CB -1.794 39.917 42.059 -0.579 0.000 0.890 62 L HN -0.701 7.455 8.230 -0.123 0.000 0.437 63 A N -6.517 116.145 122.820 -0.263 0.000 2.610 63 A HA 0.108 4.471 4.320 -0.168 -0.143 0.291 63 A C -1.360 176.161 177.584 -0.104 0.000 1.116 63 A CA -1.945 49.995 52.037 -0.161 0.000 0.963 63 A CB 0.199 19.130 19.000 -0.115 0.000 1.220 63 A HN -0.215 7.737 8.150 -0.221 0.066 0.530 64 S N 1.228 116.872 115.700 -0.094 0.000 3.198 64 S HA -0.173 4.517 4.470 -0.034 -0.240 0.301 64 S C -0.165 174.415 174.600 -0.034 0.000 0.645 64 S CA 0.524 58.696 58.200 -0.047 0.000 2.083 64 S CB -0.496 62.685 63.200 -0.032 0.000 1.119 64 S HN -0.578 7.527 8.310 -0.121 0.133 0.605 65 P HA 0.138 4.545 4.420 -0.023 0.000 0.231 65 P C -0.503 176.790 177.300 -0.012 0.000 1.168 65 P CA 0.696 63.783 63.100 -0.021 0.000 0.779 65 P CB 0.819 32.506 31.700 -0.022 0.000 0.844 66 N N -5.390 113.305 118.700 -0.008 0.000 1.895 66 N HA 0.196 4.935 4.740 -0.001 0.000 0.243 66 N C -1.312 174.201 175.510 0.005 0.000 1.350 66 N CA 0.144 53.193 53.050 -0.001 0.000 0.789 66 N CB -0.025 38.462 38.487 0.000 0.000 1.195 66 N HN 0.278 8.582 8.380 -0.010 0.070 0.489 67 P HA -0.012 4.419 4.420 0.019 0.000 0.197 67 P C -1.068 176.243 177.300 0.018 0.000 1.076 67 P CA 0.995 64.107 63.100 0.019 0.000 0.876 67 P CB 0.424 32.142 31.700 0.031 0.000 0.705 68 D N -4.007 116.406 120.400 0.021 0.000 2.652 68 D HA 0.065 4.715 4.640 0.016 0.000 0.285 68 D C -0.155 176.156 176.300 0.019 0.000 1.173 68 D CA -1.587 52.425 54.000 0.020 0.000 0.981 68 D CB 1.782 42.596 40.800 0.025 0.000 1.440 68 D HN -0.484 7.901 8.370 0.026 0.000 0.485 69 E N -0.695 119.515 120.200 0.017 0.000 1.983 69 E HA -0.100 4.258 4.350 0.014 0.000 0.202 69 E C 1.243 177.856 176.600 0.022 0.000 0.944 69 E CA 1.296 57.706 56.400 0.016 0.000 0.903 69 E CB 0.421 30.128 29.700 0.013 0.000 0.843 69 E HN 0.113 8.483 8.360 0.017 0.000 0.542 70 K N -1.021 119.392 120.400 0.022 0.000 2.206 70 K HA 0.227 4.605 4.320 0.034 -0.037 0.268 70 K C -0.202 176.416 176.600 0.031 0.000 1.111 70 K CA -1.712 54.592 56.287 0.028 0.000 0.955 70 K CB -2.290 30.224 32.500 0.023 0.000 1.406 70 K HN -0.111 8.262 8.250 0.020 -0.111 0.427 71 T N 1.446 116.024 114.554 0.040 0.000 2.942 71 T HA -0.121 4.255 4.350 0.044 0.000 0.265 71 T C 1.331 176.066 174.700 0.058 0.000 1.062 71 T CA 2.559 64.690 62.100 0.051 0.000 1.139 71 T CB 0.599 69.507 68.868 0.066 0.000 0.883 71 T HN -0.037 8.100 8.240 0.038 0.127 0.468 72 K N 1.611 122.046 120.400 0.058 0.000 2.280 72 K HA -0.363 3.990 4.320 0.055 0.000 0.202 72 K C 1.452 178.072 176.600 0.033 0.000 1.047 72 K CA 3.337 59.654 56.287 0.050 0.000 0.942 72 K CB -0.582 31.948 32.500 0.051 0.000 0.739 72 K HN -0.292 7.935 8.250 0.052 0.054 0.457 73 E N -2.767 117.449 120.200 0.028 0.000 2.136 73 E HA -0.293 4.068 4.350 0.018 0.000 0.202 73 E C 1.489 178.100 176.600 0.018 0.000 1.019 73 E CA 2.656 59.068 56.400 0.020 0.000 0.819 73 E CB -0.736 28.975 29.700 0.018 0.000 0.739 73 E HN 0.277 8.488 8.360 0.029 0.166 0.458 74 E N -3.082 117.131 120.200 0.021 0.000 2.340 74 E HA -0.025 4.332 4.350 0.012 0.000 0.194 74 E C 1.665 178.275 176.600 0.016 0.000 0.996 74 E CA 0.972 57.382 56.400 0.017 0.000 0.869 74 E CB 0.449 30.160 29.700 0.018 0.000 0.835 74 E HN -0.541 7.816 8.360 0.027 0.019 0.493 75 L N -1.271 119.965 121.223 0.021 0.000 2.083 75 L HA -0.418 3.929 4.340 0.012 0.000 0.209 75 L C 1.635 178.507 176.870 0.003 0.000 1.083 75 L CA 2.889 57.735 54.840 0.011 0.000 0.752 75 L CB -0.329 41.733 42.059 0.004 0.000 0.899 75 L HN -0.697 7.431 8.230 0.028 0.119 0.433 76 E N -3.069 117.135 120.200 0.007 0.000 2.265 76 E HA -0.364 3.990 4.350 0.007 0.000 0.196 76 E C 2.098 178.702 176.600 0.008 0.000 0.996 76 E CA 2.428 58.832 56.400 0.008 0.000 0.832 76 E CB -0.798 28.908 29.700 0.010 0.000 0.756 76 E HN -0.315 8.052 8.360 0.011 0.000 0.491 77 E N 0.230 120.433 120.200 0.006 0.000 2.021 77 E HA -0.208 4.143 4.350 0.001 0.000 0.189 77 E C 2.099 178.699 176.600 -0.001 0.000 0.980 77 E CA 2.449 58.850 56.400 0.002 0.000 0.803 77 E CB 0.333 30.033 29.700 -0.000 0.000 0.766 77 E HN -0.707 7.502 8.360 0.007 0.155 0.449 78 L N -2.937 118.286 121.223 -0.001 0.000 2.083 78 L HA -0.222 4.106 4.340 -0.020 0.000 0.209 78 L C 2.356 179.235 176.870 0.014 0.000 1.083 78 L CA 3.073 57.909 54.840 -0.007 0.000 0.752 78 L CB -0.958 41.094 42.059 -0.012 0.000 0.899 78 L HN -0.537 7.694 8.230 0.002 0.000 0.433 79 M N -1.478 118.145 119.600 0.039 0.000 2.156 79 M HA -0.158 4.429 4.480 0.179 0.000 0.264 79 M C 2.668 179.007 176.300 0.064 0.000 1.067 79 M CA 3.632 58.985 55.300 0.089 0.000 1.131 79 M CB 0.014 32.650 32.600 0.060 0.000 1.368 79 M HN -0.361 7.943 8.290 0.022 0.000 0.416 80 S N -0.897 114.823 115.700 0.032 0.000 2.423 80 S HA -0.287 4.203 4.470 0.032 0.000 0.231 80 S C 2.038 176.644 174.600 0.010 0.000 1.014 80 S CA 2.845 61.059 58.200 0.023 0.000 0.965 80 S CB -0.316 62.894 63.200 0.017 0.000 0.785 80 S HN -0.284 8.040 8.310 0.024 0.000 0.495 81 D N 2.326 122.723 120.400 -0.005 0.000 2.097 81 D HA -0.252 4.378 4.640 -0.017 0.000 0.197 81 D C 2.035 178.308 176.300 -0.045 0.000 0.984 81 D CA 3.860 57.846 54.000 -0.024 0.000 0.826 81 D CB 0.207 40.986 40.800 -0.035 0.000 0.973 81 D HN -0.430 7.939 8.370 -0.002 0.000 0.460 82 I N -0.896 119.626 120.570 -0.081 0.000 2.252 82 I HA -0.582 3.494 4.170 -0.157 0.000 0.245 82 I C 1.518 177.588 176.117 -0.078 0.000 1.102 82 I CA 4.144 65.342 61.300 -0.170 0.000 1.385 82 I CB 0.018 37.745 38.000 -0.455 0.000 1.064 82 I HN -0.553 7.621 8.210 -0.060 0.000 0.414 83 K N -0.364 120.035 120.400 -0.001 0.000 2.074 83 K HA -0.471 3.883 4.320 0.057 0.000 0.209 83 K C 2.270 178.893 176.600 0.039 0.000 1.048 83 K CA 3.292 59.604 56.287 0.041 0.000 0.926 83 K CB -0.664 31.872 32.500 0.060 0.000 0.713 83 K HN -0.492 7.764 8.250 0.010 0.000 0.444 84 K N -2.094 118.323 120.400 0.029 0.000 2.001 84 K HA -0.185 4.160 4.320 0.043 0.000 0.208 84 K C 2.692 179.332 176.600 0.066 0.000 1.048 84 K CA 2.808 59.118 56.287 0.039 0.000 0.932 84 K CB -0.276 32.239 32.500 0.025 0.000 0.715 84 K HN -0.692 7.567 8.250 0.015 0.000 0.437 85 T N 1.480 116.074 114.554 0.066 0.000 2.737 85 T HA -0.289 4.193 4.350 0.221 0.000 0.265 85 T C 1.725 176.527 174.700 0.170 0.000 1.038 85 T CA 3.996 66.182 62.100 0.143 0.000 1.144 85 T CB -0.286 68.624 68.868 0.070 0.000 0.866 85 T HN -0.739 7.518 8.240 0.027 0.000 0.434 86 A N 1.066 123.955 122.820 0.114 0.000 1.927 86 A HA -0.387 4.085 4.320 0.253 0.000 0.220 86 A C 2.058 179.729 177.584 0.146 0.000 1.185 86 A CA 3.345 55.476 52.037 0.157 0.000 0.639 86 A CB -0.897 18.156 19.000 0.087 0.000 0.820 86 A HN 0.272 8.456 8.150 0.056 0.000 0.451 87 N N -3.660 115.096 118.700 0.094 0.000 2.188 87 N HA -0.282 4.496 4.740 0.063 0.000 0.184 87 N C 2.308 177.833 175.510 0.026 0.000 1.018 87 N CA 2.960 56.046 53.050 0.061 0.000 0.858 87 N CB 0.162 38.680 38.487 0.051 0.000 0.989 87 N HN -0.517 7.914 8.380 0.085 0.000 0.426 88 K N -0.475 119.953 120.400 0.046 0.000 2.032 88 K HA -0.330 3.976 4.320 -0.023 0.000 0.209 88 K C 1.436 177.936 176.600 -0.167 0.000 1.048 88 K CA 2.970 59.259 56.287 0.003 0.000 0.927 88 K CB 0.018 32.617 32.500 0.165 0.000 0.712 88 K HN -0.682 7.544 8.250 0.086 0.075 0.441 89 V N -1.765 118.057 119.914 -0.153 0.000 2.283 89 V HA -0.238 3.566 4.120 -0.526 0.000 0.243 89 V C 1.894 177.783 176.094 -0.341 0.000 1.039 89 V CA 2.159 64.266 62.300 -0.321 0.000 1.016 89 V CB 0.217 31.947 31.823 -0.156 0.000 0.650 89 V HN 0.039 8.246 8.190 0.029 0.000 0.449 90 R N -0.212 120.155 120.500 -0.222 0.000 2.117 90 R HA -0.364 3.698 4.340 -0.464 0.000 0.243 90 R C 2.109 178.320 176.300 -0.147 0.000 1.143 90 R CA 3.634 59.611 56.100 -0.205 0.000 0.968 90 R CB -0.854 29.499 30.300 0.088 0.000 0.863 90 R HN 0.123 8.358 8.270 -0.058 0.000 0.444 91 S N -0.030 115.604 115.700 -0.110 0.000 2.453 91 S HA -0.113 4.319 4.470 -0.064 0.000 0.231 91 S C 1.891 176.415 174.600 -0.127 0.000 1.005 91 S CA 3.093 61.238 58.200 -0.092 0.000 0.949 91 S CB -0.354 62.807 63.200 -0.065 0.000 0.774 91 S HN -0.393 7.822 8.310 -0.103 0.033 0.510 92 K N 2.409 122.692 120.400 -0.195 0.000 2.228 92 K HA -0.039 4.185 4.320 -0.160 0.000 0.202 92 K C 2.323 178.814 176.600 -0.181 0.000 1.051 92 K CA 1.776 57.939 56.287 -0.207 0.000 0.960 92 K CB -0.127 32.198 32.500 -0.292 0.000 0.743 92 K HN -0.232 7.694 8.250 -0.241 0.179 0.458 93 L N -0.354 120.750 121.223 -0.200 0.000 2.072 93 L HA -0.308 4.017 4.340 -0.025 0.000 0.205 93 L C 2.259 179.161 176.870 0.053 0.000 1.079 93 L CA 3.005 57.787 54.840 -0.096 0.000 0.752 93 L CB -0.341 41.519 42.059 -0.332 0.000 0.906 93 L HN -0.380 7.683 8.230 -0.279 0.000 0.436 94 K N -1.041 119.348 120.400 -0.019 0.000 2.026 94 K HA -0.471 3.861 4.320 0.020 0.000 0.208 94 K C 1.966 178.539 176.600 -0.046 0.000 1.048 94 K CA 3.926 60.207 56.287 -0.011 0.000 0.929 94 K CB -0.333 32.158 32.500 -0.014 0.000 0.713 94 K HN -0.181 8.025 8.250 -0.073 0.000 0.439 95 S N -1.145 114.520 115.700 -0.058 0.000 2.420 95 S HA -0.262 4.179 4.470 -0.048 0.000 0.237 95 S C 1.918 176.482 174.600 -0.061 0.000 1.023 95 S CA 3.506 61.672 58.200 -0.058 0.000 0.991 95 S CB -0.811 62.353 63.200 -0.060 0.000 0.792 95 S HN -0.507 7.762 8.310 -0.067 0.000 0.488 96 I N 2.294 122.813 120.570 -0.085 0.000 2.277 96 I HA -0.306 3.874 4.170 0.017 0.000 0.243 96 I C 1.675 177.609 176.117 -0.305 0.000 1.094 96 I CA 0.363 61.596 61.300 -0.111 0.000 1.393 96 I CB -1.477 36.500 38.000 -0.039 0.000 1.078 96 I HN -0.868 7.273 8.210 -0.075 0.023 0.417 97 E N 0.426 120.351 120.200 -0.458 0.000 2.077 97 E HA -0.449 3.628 4.350 -0.455 0.000 0.193 97 E C 2.495 179.001 176.600 -0.156 0.000 0.989 97 E CA 3.382 59.568 56.400 -0.356 0.000 0.800 97 E CB -0.162 29.418 29.700 -0.200 0.000 0.746 97 E HN -0.639 7.534 8.360 -0.311 0.000 0.452 98 Q N -2.138 117.601 119.800 -0.102 0.000 2.096 98 Q HA -0.314 3.994 4.340 -0.054 0.000 0.204 98 Q C 2.498 178.460 176.000 -0.063 0.000 0.982 98 Q CA 2.715 58.480 55.803 -0.064 0.000 0.850 98 Q CB -0.076 28.634 28.738 -0.046 0.000 0.901 98 Q HN 0.529 8.627 8.270 -0.101 0.111 0.422 99 S N -2.615 113.047 115.700 -0.064 0.000 2.428 99 S HA -0.219 4.222 4.470 -0.049 0.000 0.230 99 S C 1.381 175.937 174.600 -0.073 0.000 1.014 99 S CA 2.239 60.407 58.200 -0.053 0.000 0.957 99 S CB -0.255 62.934 63.200 -0.018 0.000 0.784 99 S HN -0.688 7.578 8.310 -0.074 0.000 0.499 100 I N 1.530 122.043 120.570 -0.094 0.000 2.141 100 I HA -0.517 3.594 4.170 -0.099 0.000 0.236 100 I C 1.023 177.095 176.117 -0.076 0.000 1.071 100 I CA 4.134 65.376 61.300 -0.096 0.000 1.345 100 I CB 0.127 38.058 38.000 -0.115 0.000 1.066 100 I HN -0.627 7.516 8.210 -0.112 0.000 0.406 101 E N -1.458 118.701 120.200 -0.068 0.000 2.273 101 E HA -0.422 4.106 4.350 -0.045 -0.205 0.198 101 E C 2.668 179.240 176.600 -0.047 0.000 1.002 101 E CA 2.558 58.928 56.400 -0.050 0.000 0.828 101 E CB -0.947 28.727 29.700 -0.042 0.000 0.747 101 E HN -0.605 7.707 8.360 -0.080 0.000 0.491 102 Q N -1.374 118.395 119.800 -0.051 0.000 2.163 102 Q HA -0.121 4.194 4.340 -0.042 0.000 0.198 102 Q C 1.708 177.674 176.000 -0.057 0.000 0.954 102 Q CA 2.158 57.932 55.803 -0.049 0.000 0.851 102 Q CB 0.283 28.993 28.738 -0.046 0.000 0.928 102 Q HN -0.353 7.815 8.270 -0.059 0.067 0.459 103 E N -3.154 117.005 120.200 -0.069 0.000 2.489 103 E HA -0.056 4.248 4.350 -0.076 0.000 0.193 103 E C 0.206 176.765 176.600 -0.069 0.000 1.057 103 E CA 0.703 57.056 56.400 -0.078 0.000 0.866 103 E CB -0.053 29.585 29.700 -0.102 0.000 0.916 103 E HN -0.588 7.731 8.360 -0.070 0.000 0.500 104 E N -0.181 119.984 120.200 -0.059 0.000 2.014 104 E HA -0.167 4.153 4.350 -0.050 0.000 0.190 104 E C 1.912 178.488 176.600 -0.040 0.000 0.980 104 E CA 2.070 58.441 56.400 -0.048 0.000 0.807 104 E CB 0.027 29.700 29.700 -0.046 0.000 0.770 104 E HN -0.595 7.671 8.360 -0.058 0.060 0.451 105 G N 0.248 109.026 108.800 -0.037 0.000 2.581 105 G HA2 -0.296 3.648 3.960 -0.027 0.000 0.223 105 G HA3 -0.296 3.646 3.960 -0.030 0.000 0.223 105 G C 1.034 175.915 174.900 -0.032 0.000 1.094 105 G CA 2.019 47.101 45.100 -0.031 0.000 0.736 105 G HN -0.137 8.129 8.290 -0.040 0.000 0.588 106 L N -1.122 120.078 121.223 -0.039 0.000 2.447 106 L HA -0.178 4.140 4.340 -0.036 0.000 0.225 106 L C -0.254 176.595 176.870 -0.035 0.000 1.148 106 L CA 0.341 55.157 54.840 -0.040 0.000 0.808 106 L CB -0.325 41.703 42.059 -0.051 0.000 0.928 106 L HN -0.531 7.610 8.230 -0.044 0.063 0.448 107 N N -3.040 115.641 118.700 -0.032 0.000 2.556 107 N HA -0.291 4.434 4.740 -0.026 0.000 0.276 107 N C -1.162 174.329 175.510 -0.032 0.000 1.259 107 N CA 1.254 54.287 53.050 -0.028 0.000 0.654 107 N CB -1.406 37.067 38.487 -0.023 0.000 0.889 107 N HN -0.432 7.832 8.380 -0.033 0.097 0.547 108 R N 1.828 122.307 120.500 -0.035 0.000 2.668 108 R HA 0.225 4.544 4.340 -0.036 0.000 0.272 108 R C -1.327 174.952 176.300 -0.035 0.000 1.019 108 R CA -0.977 55.100 56.100 -0.038 0.000 0.894 108 R CB 3.207 33.476 30.300 -0.051 0.000 1.228 108 R HN 0.031 8.281 8.270 -0.034 0.000 0.460 109 S N 1.888 117.569 115.700 -0.032 0.000 2.737 109 S HA 0.252 4.704 4.470 -0.030 0.000 0.269 109 S C -1.536 173.047 174.600 -0.028 0.000 1.150 109 S CA 0.023 58.207 58.200 -0.028 0.000 1.077 109 S CB 0.119 63.307 63.200 -0.020 0.000 1.075 109 S HN 0.272 8.562 8.310 -0.034 0.000 0.476 110 S N 6.894 122.574 115.700 -0.033 0.000 2.564 110 S HA 0.195 4.651 4.470 -0.024 0.000 0.274 110 S C -0.331 174.251 174.600 -0.030 0.000 1.124 110 S CA -0.452 57.729 58.200 -0.031 0.000 0.869 110 S CB 1.310 64.485 63.200 -0.042 0.000 1.105 110 S HN -0.161 8.127 8.310 -0.037 0.000 0.472 111 A N 3.336 126.144 122.820 -0.020 0.000 1.969 111 A HA 0.009 4.322 4.320 -0.012 0.000 0.218 111 A C 1.503 179.074 177.584 -0.022 0.000 1.169 111 A CA 1.883 53.913 52.037 -0.013 0.000 0.635 111 A CB 0.189 19.190 19.000 0.001 0.000 0.810 111 A HN 0.573 8.712 8.150 -0.017 0.000 0.445 112 D N -0.869 119.511 120.400 -0.034 0.000 2.123 112 D HA -0.270 4.342 4.640 -0.047 0.000 0.196 112 D C 2.034 178.251 176.300 -0.138 0.000 0.992 112 D CA 3.381 57.341 54.000 -0.068 0.000 0.833 112 D CB -0.214 40.551 40.800 -0.057 0.000 0.954 112 D HN -0.494 7.858 8.370 -0.030 0.000 0.455 113 L N -2.780 118.371 121.223 -0.119 0.000 2.127 113 L HA -0.280 3.954 4.340 -0.177 0.000 0.211 113 L C 1.217 178.024 176.870 -0.105 0.000 1.089 113 L CA 2.768 57.530 54.840 -0.129 0.000 0.757 113 L CB 0.077 42.081 42.059 -0.092 0.000 0.899 113 L HN -0.446 7.685 8.230 -0.083 0.049 0.434 114 R N -2.224 118.235 120.500 -0.067 0.000 2.128 114 R HA -0.160 4.163 4.340 -0.028 0.000 0.211 114 R C 2.570 178.859 176.300 -0.019 0.000 1.067 114 R CA 2.592 58.673 56.100 -0.033 0.000 1.010 114 R CB 0.173 30.463 30.300 -0.018 0.000 0.922 114 R HN -0.794 7.240 8.270 -0.069 0.195 0.457 115 I N -0.270 120.285 120.570 -0.025 0.000 2.248 115 I HA -0.466 3.730 4.170 0.043 0.000 0.248 115 I C 1.496 177.592 176.117 -0.035 0.000 1.107 115 I CA 4.281 65.581 61.300 -0.000 0.000 1.373 115 I CB -0.368 37.650 38.000 0.030 0.000 1.055 115 I HN -0.054 8.132 8.210 -0.039 0.000 0.418 116 R N -2.024 118.389 120.500 -0.145 0.000 2.066 116 R HA -0.388 3.874 4.340 -0.131 0.000 0.232 116 R C 2.342 178.701 176.300 0.098 0.000 1.131 116 R CA 3.537 59.552 56.100 -0.142 0.000 0.955 116 R CB -0.390 29.665 30.300 -0.409 0.000 0.851 116 R HN -0.606 7.531 8.270 -0.170 0.032 0.432 117 K N -2.082 118.346 120.400 0.047 0.000 2.148 117 K HA -0.199 4.216 4.320 0.159 0.000 0.204 117 K C 2.205 178.872 176.600 0.111 0.000 1.050 117 K CA 3.249 59.594 56.287 0.097 0.000 0.942 117 K CB -0.456 32.071 32.500 0.046 0.000 0.724 117 K HN -0.604 7.638 8.250 -0.014 0.000 0.446 118 T N 2.196 116.799 114.554 0.081 0.000 2.708 118 T HA -0.305 4.085 4.350 0.067 0.000 0.266 118 T C 2.203 176.957 174.700 0.090 0.000 1.037 118 T CA 4.426 66.572 62.100 0.078 0.000 1.146 118 T CB -0.404 68.505 68.868 0.069 0.000 0.865 118 T HN -0.504 7.680 8.240 0.060 0.092 0.435 119 Q N -0.080 119.788 119.800 0.115 0.000 2.123 119 Q HA -0.277 4.109 4.340 0.077 0.000 0.199 119 Q C 2.220 178.269 176.000 0.081 0.000 0.966 119 Q CA 2.924 58.788 55.803 0.101 0.000 0.845 119 Q CB -0.145 28.658 28.738 0.108 0.000 0.907 119 Q HN -0.619 7.726 8.270 0.124 0.000 0.439 120 H N 1.330 120.427 119.070 0.045 0.000 2.321 120 H HA -0.284 4.261 4.556 -0.017 0.000 0.300 120 H C 2.185 177.525 175.328 0.019 0.000 1.087 120 H CA 3.758 59.818 56.048 0.018 0.000 1.319 120 H CB 0.514 30.299 29.762 0.037 0.000 1.379 120 H HN -0.363 8.067 8.280 0.249 0.000 0.501 121 S N -2.624 113.081 115.700 0.009 0.000 2.423 121 S HA -0.130 4.308 4.470 -0.053 0.000 0.231 121 S C 2.353 176.939 174.600 -0.024 0.000 1.014 121 S CA 2.636 60.828 58.200 -0.014 0.000 0.965 121 S CB -0.006 63.219 63.200 0.042 0.000 0.785 121 S HN -0.093 8.287 8.310 0.116 0.000 0.495 122 T N 5.476 120.024 114.554 -0.009 0.000 2.809 122 T HA -0.189 4.164 4.350 0.005 0.000 0.260 122 T C 1.556 176.244 174.700 -0.020 0.000 1.039 122 T CA 3.516 65.615 62.100 -0.001 0.000 1.141 122 T CB 0.009 68.890 68.868 0.022 0.000 0.869 122 T HN -0.765 7.480 8.240 0.007 0.000 0.437 123 L N 0.565 121.754 121.223 -0.057 0.000 2.017 123 L HA -0.395 3.929 4.340 -0.028 0.000 0.208 123 L C 2.137 178.958 176.870 -0.081 0.000 1.073 123 L CA 3.341 58.132 54.840 -0.080 0.000 0.745 123 L CB -0.269 41.711 42.059 -0.132 0.000 0.894 123 L HN 0.086 8.278 8.230 -0.064 0.000 0.432 124 S N -2.007 113.580 115.700 -0.189 0.000 2.406 124 S HA -0.265 4.216 4.470 0.018 0.000 0.228 124 S C 1.905 176.522 174.600 0.028 0.000 1.020 124 S CA 3.068 61.212 58.200 -0.093 0.000 0.965 124 S CB -0.419 62.621 63.200 -0.267 0.000 0.798 124 S HN 0.337 8.377 8.310 -0.277 0.104 0.488 125 R N 2.207 122.706 120.500 -0.001 0.000 2.075 125 R HA -0.228 4.124 4.340 0.020 0.000 0.232 125 R C 1.960 178.277 176.300 0.029 0.000 1.126 125 R CA 2.494 58.604 56.100 0.017 0.000 0.963 125 R CB -0.319 29.986 30.300 0.008 0.000 0.858 125 R HN -0.658 7.590 8.270 -0.037 0.000 0.435 126 K N -0.666 119.758 120.400 0.039 0.000 2.103 126 K HA -0.219 4.262 4.320 0.025 -0.146 0.204 126 K C 2.198 178.840 176.600 0.071 0.000 1.052 126 K CA 2.839 59.153 56.287 0.045 0.000 0.945 126 K CB -0.272 32.254 32.500 0.044 0.000 0.722 126 K HN -0.682 7.587 8.250 0.032 0.000 0.443 127 F N -0.017 119.911 119.950 -0.037 0.000 2.171 127 F HA -0.298 4.216 4.527 -0.022 0.000 0.300 127 F C 1.250 177.040 175.800 -0.017 0.000 1.090 127 F CA 3.035 61.016 58.000 -0.031 0.000 1.293 127 F CB 0.209 39.179 39.000 -0.050 0.000 1.013 127 F HN -0.517 7.901 8.300 0.197 0.000 0.486 128 V N -0.468 119.427 119.914 -0.032 0.000 2.379 128 V HA -0.463 3.557 4.120 -0.167 0.000 0.245 128 V C 1.948 177.990 176.094 -0.086 0.000 1.044 128 V CA 3.468 65.720 62.300 -0.080 0.000 1.036 128 V CB -0.456 31.371 31.823 0.006 0.000 0.664 128 V HN -0.004 8.236 8.190 0.084 0.000 0.453 129 E N -0.623 119.548 120.200 -0.049 0.000 2.171 129 E HA -0.381 3.952 4.350 -0.028 0.000 0.197 129 E C 1.393 177.961 176.600 -0.054 0.000 0.997 129 E CA 3.052 59.429 56.400 -0.038 0.000 0.810 129 E CB -0.187 29.503 29.700 -0.016 0.000 0.738 129 E HN -0.614 7.729 8.360 -0.027 0.000 0.467 130 V N -0.847 119.010 119.914 -0.095 0.000 2.521 130 V HA -0.053 4.036 4.120 -0.051 0.000 0.239 130 V C 1.143 177.153 176.094 -0.139 0.000 1.053 130 V CA 1.727 63.967 62.300 -0.101 0.000 1.073 130 V CB 0.778 32.542 31.823 -0.097 0.000 0.746 130 V HN -0.731 7.357 8.190 -0.118 0.031 0.476 131 M N 0.730 120.142 119.600 -0.315 0.000 2.117 131 M HA -0.276 4.094 4.480 -0.183 0.000 0.262 131 M C 2.135 178.359 176.300 -0.126 0.000 1.065 131 M CA 1.919 57.028 55.300 -0.318 0.000 1.114 131 M CB -0.917 31.200 32.600 -0.804 0.000 1.361 131 M HN 0.112 8.142 8.290 -0.432 0.000 0.408 132 S N -1.481 114.149 115.700 -0.117 0.000 2.419 132 S HA -0.322 4.128 4.470 -0.035 0.000 0.233 132 S C 2.224 176.810 174.600 -0.023 0.000 1.016 132 S CA 3.115 61.286 58.200 -0.049 0.000 0.974 132 S CB -0.555 62.622 63.200 -0.038 0.000 0.786 132 S HN -0.262 7.846 8.310 -0.166 0.102 0.492 133 E N 2.656 122.845 120.200 -0.018 0.000 2.072 133 E HA -0.253 4.095 4.350 -0.003 0.000 0.190 133 E C 2.023 178.638 176.600 0.026 0.000 0.982 133 E CA 2.257 58.659 56.400 0.003 0.000 0.803 133 E CB -0.381 29.321 29.700 0.003 0.000 0.755 133 E HN -0.151 8.050 8.360 -0.040 0.135 0.453 134 Y N 1.402 121.656 120.300 -0.076 0.000 2.224 134 Y HA -0.276 4.239 4.550 -0.059 0.000 0.289 134 Y C 1.782 177.659 175.900 -0.038 0.000 1.146 134 Y CA 3.490 61.550 58.100 -0.067 0.000 1.182 134 Y CB -0.088 38.316 38.460 -0.094 0.000 0.983 134 Y HN 0.387 8.629 8.280 0.117 0.108 0.524 135 N N -1.114 117.569 118.700 -0.029 0.000 2.104 135 N HA -0.466 4.231 4.740 -0.072 0.000 0.190 135 N C 1.446 176.912 175.510 -0.073 0.000 1.024 135 N CA 3.291 56.307 53.050 -0.055 0.000 0.853 135 N CB -0.048 38.432 38.487 -0.012 0.000 1.008 135 N HN -0.284 8.114 8.380 0.029 0.000 0.424 136 A N -2.798 119.990 122.820 -0.053 0.000 2.066 136 A HA -0.114 4.190 4.320 -0.028 0.000 0.218 136 A C 1.617 179.177 177.584 -0.040 0.000 1.157 136 A CA 2.156 54.171 52.037 -0.036 0.000 0.670 136 A CB -0.561 18.430 19.000 -0.015 0.000 0.804 136 A HN -0.591 7.535 8.150 -0.040 0.000 0.453 137 T N 1.482 115.981 114.554 -0.092 0.000 2.737 137 T HA -0.417 3.963 4.350 0.051 0.000 0.265 137 T C 1.637 176.341 174.700 0.007 0.000 1.038 137 T CA 5.121 67.187 62.100 -0.058 0.000 1.144 137 T CB -0.407 68.350 68.868 -0.186 0.000 0.866 137 T HN -0.469 7.531 8.240 -0.139 0.156 0.434 138 Q N 1.542 121.251 119.800 -0.151 0.000 2.079 138 Q HA -0.386 3.964 4.340 0.017 0.000 0.200 138 Q C 2.001 178.008 176.000 0.012 0.000 0.974 138 Q CA 3.462 59.224 55.803 -0.068 0.000 0.840 138 Q CB -0.068 28.567 28.738 -0.171 0.000 0.898 138 Q HN -0.593 7.496 8.270 -0.302 0.000 0.430 139 S N -0.612 115.083 115.700 -0.009 0.000 2.383 139 S HA -0.309 4.170 4.470 0.014 0.000 0.227 139 S C 1.604 176.215 174.600 0.019 0.000 1.026 139 S CA 3.620 61.824 58.200 0.007 0.000 0.981 139 S CB -0.281 62.915 63.200 -0.007 0.000 0.818 139 S HN -0.440 7.843 8.310 -0.044 0.000 0.472 140 D N 0.410 120.827 120.400 0.029 0.000 2.309 140 D HA -0.250 4.395 4.640 0.007 0.000 0.212 140 D C 0.919 177.240 176.300 0.034 0.000 0.968 140 D CA 2.650 56.670 54.000 0.032 0.000 0.882 140 D CB -0.093 40.734 40.800 0.045 0.000 0.918 140 D HN -0.292 8.092 8.370 0.023 0.000 0.503 141 Y N -2.067 118.169 120.300 -0.107 0.000 2.293 141 Y HA -0.352 4.032 4.550 -0.276 0.000 0.291 141 Y C -0.715 175.092 175.900 -0.154 0.000 1.137 141 Y CA 3.442 61.402 58.100 -0.233 0.000 1.202 141 Y CB 0.884 39.100 38.460 -0.407 0.000 0.990 141 Y HN -0.805 7.441 8.280 0.150 0.124 0.537 142 R N -7.266 113.205 120.500 -0.048 0.000 2.539 142 R HA 0.192 4.444 4.340 -0.147 0.000 0.342 142 R C 0.636 176.910 176.300 -0.044 0.000 0.941 142 R CA -0.361 55.699 56.100 -0.065 0.000 1.146 142 R CB 0.911 31.221 30.300 0.017 0.000 1.541 142 R HN -0.814 7.487 8.270 0.052 0.000 0.525 143 E N 2.050 122.230 120.200 -0.033 0.000 2.033 143 E HA -0.224 4.113 4.350 -0.022 0.000 0.189 143 E C 0.933 177.510 176.600 -0.038 0.000 0.979 143 E CA 1.638 58.022 56.400 -0.027 0.000 0.802 143 E CB -0.306 29.385 29.700 -0.015 0.000 0.763 143 E HN 0.166 8.502 8.360 -0.041 0.000 0.449 144 R N -1.407 119.064 120.500 -0.049 0.000 2.064 144 R HA -0.071 4.242 4.340 -0.046 0.000 0.221 144 R C 0.697 176.947 176.300 -0.085 0.000 1.136 144 R CA 0.431 56.497 56.100 -0.056 0.000 0.980 144 R CB -0.005 30.265 30.300 -0.049 0.000 0.876 144 R HN -0.187 8.054 8.270 -0.049 0.000 0.437 145 S N -1.281 114.340 115.700 -0.132 0.000 3.420 145 S HA -0.336 4.173 4.470 -0.291 -0.214 0.367 145 S C 0.079 174.591 174.600 -0.147 0.000 1.063 145 S CA 0.846 58.927 58.200 -0.198 0.000 1.073 145 S CB -1.311 61.770 63.200 -0.199 0.000 0.905 145 S HN 0.223 8.455 8.310 -0.129 0.000 0.485 146 K N 0.000 120.332 120.400 -0.114 0.000 2.780 146 K HA 0.000 4.282 4.320 -0.064 0.000 0.191 146 K CA 0.000 56.241 56.287 -0.076 0.000 0.838 146 K CB 0.000 32.463 32.500 -0.062 0.000 1.064 146 K HN 0.000 8.053 8.250 -0.117 0.127 0.543