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 1x6x_1_X DATA FIRST_RESID 25 DATA SEQUENCE GTEFARSEGA SALASVNPLK TTVEEALSRG WSVKSGTGTE DATKKEVPLG DATA SEQUENCE VAADANKLGT IALKPDPADG TADITLTFTM GGAGPKNKGK IITLTRTAAD DATA SEQUENCE GLWKCTSDQD EQFIPKGCSR 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 25 G HA2 0.000 nan 3.960 nan 0.000 0.244 25 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 25 G C 0.000 174.868 174.900 -0.053 0.000 0.946 25 G CA 0.000 nan 45.100 nan 0.000 0.502 26 T N -2.308 112.184 114.554 -0.104 0.000 3.200 26 T HA 0.037 4.326 4.350 -0.103 0.000 0.284 26 T C -0.135 174.386 174.700 -0.299 0.000 1.009 26 T CA -0.269 61.739 62.100 -0.153 0.000 0.907 26 T CB 0.789 69.567 68.868 -0.149 0.000 1.120 26 T HN -0.256 7.913 8.240 -0.117 0.000 0.534 27 E N 2.548 122.599 120.200 -0.248 0.000 2.467 27 E HA -0.162 3.957 4.350 -0.385 0.000 0.264 27 E C 0.095 176.554 176.600 -0.235 0.000 1.020 27 E CA 0.087 56.312 56.400 -0.291 0.000 0.945 27 E CB 0.513 30.101 29.700 -0.188 0.000 0.942 27 E HN -0.366 7.889 8.360 -0.175 0.000 0.449 28 F N 4.772 124.668 119.950 -0.090 0.000 2.833 28 F HA 0.136 4.621 4.527 -0.070 0.000 0.327 28 F C -0.411 175.294 175.800 -0.159 0.000 1.184 28 F CA -1.928 56.017 58.000 -0.090 0.000 1.328 28 F CB -2.203 36.759 39.000 -0.063 0.000 1.440 28 F HN 0.652 8.834 8.300 -0.196 0.000 0.569 29 A N 1.762 124.492 122.820 -0.150 0.000 1.933 29 A HA -0.272 4.022 4.320 -0.354 -0.186 0.218 29 A C 1.490 178.891 177.584 -0.306 0.000 1.175 29 A CA 3.121 54.874 52.037 -0.474 0.000 0.628 29 A CB -0.088 18.151 19.000 -1.268 0.000 0.814 29 A HN -0.418 7.530 8.150 -0.175 0.097 0.444 30 R N -2.337 118.137 120.500 -0.042 0.000 2.066 30 R HA -0.314 4.179 4.340 0.255 0.000 0.232 30 R C 1.302 177.630 176.300 0.047 0.000 1.131 30 R CA 3.713 59.898 56.100 0.140 0.000 0.955 30 R CB -0.393 30.026 30.300 0.198 0.000 0.851 30 R HN 0.418 8.692 8.270 0.007 0.000 0.432 31 S N -2.267 113.442 115.700 0.015 0.000 2.423 31 S HA -0.214 4.231 4.470 -0.041 0.000 0.231 31 S C 2.140 176.710 174.600 -0.051 0.000 1.014 31 S CA 2.664 60.840 58.200 -0.040 0.000 0.965 31 S CB -0.671 62.463 63.200 -0.111 0.000 0.785 31 S HN -0.049 8.282 8.310 0.034 0.000 0.495 32 E N 3.226 123.408 120.200 -0.030 0.000 2.058 32 E HA -0.371 3.949 4.350 -0.050 0.000 0.194 32 E C 2.647 179.198 176.600 -0.082 0.000 0.997 32 E CA 2.880 59.251 56.400 -0.048 0.000 0.801 32 E CB -0.322 29.357 29.700 -0.034 0.000 0.746 32 E HN -0.203 8.151 8.360 -0.010 0.000 0.450 33 G N -2.023 106.748 108.800 -0.048 0.000 2.418 33 G HA2 -0.276 3.655 3.960 -0.048 0.000 0.217 33 G HA3 -0.276 3.693 3.960 0.014 0.000 0.217 33 G C 0.724 175.580 174.900 -0.073 0.000 1.158 33 G CA 1.711 46.790 45.100 -0.036 0.000 0.771 33 G HN -0.556 7.716 8.290 -0.030 0.000 0.545 34 A N 1.101 123.886 122.820 -0.058 0.000 1.902 34 A HA -0.287 3.995 4.320 -0.062 0.000 0.217 34 A C 1.843 179.351 177.584 -0.126 0.000 1.181 34 A CA 2.958 54.951 52.037 -0.073 0.000 0.623 34 A CB -0.814 18.154 19.000 -0.053 0.000 0.818 34 A HN -0.444 7.684 8.150 -0.037 0.000 0.443 35 S N -1.381 114.228 115.700 -0.151 0.000 2.368 35 S HA -0.370 4.002 4.470 -0.164 0.000 0.225 35 S C 2.004 176.391 174.600 -0.356 0.000 1.030 35 S CA 2.841 60.922 58.200 -0.199 0.000 0.999 35 S CB -0.145 62.956 63.200 -0.164 0.000 0.844 35 S HN -0.230 8.001 8.310 -0.131 0.000 0.459 36 A N 1.271 123.791 122.820 -0.501 0.000 1.865 36 A HA -0.231 3.024 4.320 -1.775 0.000 0.217 36 A C 2.538 179.778 177.584 -0.575 0.000 1.191 36 A CA 2.868 54.300 52.037 -1.009 0.000 0.623 36 A CB -0.692 17.849 19.000 -0.766 0.000 0.826 36 A HN -0.281 7.640 8.150 -0.382 0.000 0.444 37 L N -0.671 120.391 121.223 -0.268 0.000 2.083 37 L HA -0.356 3.927 4.340 -0.094 0.000 0.209 37 L C 1.066 177.858 176.870 -0.130 0.000 1.083 37 L CA 2.718 57.477 54.840 -0.135 0.000 0.752 37 L CB -0.400 41.612 42.059 -0.078 0.000 0.899 37 L HN -0.331 7.762 8.230 -0.227 0.000 0.433 38 A N -2.637 120.092 122.820 -0.151 0.000 2.121 38 A HA -0.194 4.068 4.320 -0.096 0.000 0.218 38 A C 1.557 179.082 177.584 -0.100 0.000 1.154 38 A CA 2.533 54.501 52.037 -0.115 0.000 0.679 38 A CB -1.069 17.867 19.000 -0.107 0.000 0.795 38 A HN -0.099 7.948 8.150 -0.172 0.000 0.458 39 S N -2.085 113.539 115.700 -0.126 0.000 2.470 39 S HA -0.110 4.351 4.470 -0.014 0.000 0.225 39 S C 0.848 175.473 174.600 0.042 0.000 1.006 39 S CA 1.960 60.145 58.200 -0.026 0.000 0.934 39 S CB 0.653 63.868 63.200 0.024 0.000 0.778 39 S HN -0.394 7.650 8.310 -0.212 0.139 0.517 40 V N -2.856 117.073 119.914 0.025 0.000 3.212 40 V HA 0.094 4.245 4.120 0.052 0.000 0.244 40 V C 1.286 177.346 176.094 -0.057 0.000 1.151 40 V CA 0.772 63.094 62.300 0.036 0.000 1.119 40 V CB 0.189 32.075 31.823 0.105 0.000 0.838 40 V HN -0.779 7.401 8.190 -0.017 0.000 0.470 41 N N 3.057 121.704 118.700 -0.089 0.000 2.094 41 N HA -0.166 4.455 4.740 -0.198 0.000 0.191 41 N C -0.290 175.114 175.510 -0.177 0.000 1.023 41 N CA 4.534 57.493 53.050 -0.151 0.000 0.857 41 N CB -1.643 36.772 38.487 -0.121 0.000 1.013 41 N HN 0.162 8.497 8.380 -0.075 0.000 0.426 42 P HA -0.139 4.211 4.420 -0.117 0.000 0.220 42 P C 0.366 177.597 177.300 -0.116 0.000 1.148 42 P CA 2.101 65.136 63.100 -0.108 0.000 0.803 42 P CB -0.120 31.540 31.700 -0.067 0.000 0.782 43 L N -4.875 116.283 121.223 -0.108 0.000 2.362 43 L HA -0.228 4.085 4.340 -0.044 0.000 0.219 43 L C 1.748 178.536 176.870 -0.136 0.000 1.134 43 L CA 1.502 56.297 54.840 -0.076 0.000 0.807 43 L CB -0.877 41.170 42.059 -0.019 0.000 0.927 43 L HN -0.538 7.604 8.230 -0.098 0.029 0.447 44 K N -0.945 119.244 120.400 -0.352 0.000 2.103 44 K HA -0.374 3.560 4.320 -0.643 0.000 0.207 44 K C 2.270 178.750 176.600 -0.201 0.000 1.048 44 K CA 3.550 59.483 56.287 -0.589 0.000 0.930 44 K CB -0.509 31.310 32.500 -1.134 0.000 0.716 44 K HN -0.552 7.442 8.250 -0.386 0.025 0.444 45 T N 0.898 115.357 114.554 -0.158 0.000 2.746 45 T HA -0.281 4.040 4.350 -0.049 0.000 0.267 45 T C 1.909 176.601 174.700 -0.013 0.000 1.039 45 T CA 4.628 66.689 62.100 -0.066 0.000 1.142 45 T CB -0.458 68.368 68.868 -0.071 0.000 0.866 45 T HN -0.602 7.526 8.240 -0.186 0.000 0.444 46 T N 4.216 118.762 114.554 -0.014 0.000 2.684 46 T HA -0.383 3.968 4.350 0.001 0.000 0.267 46 T C 2.044 176.778 174.700 0.056 0.000 1.036 46 T CA 4.876 66.983 62.100 0.012 0.000 1.148 46 T CB -0.415 68.460 68.868 0.012 0.000 0.863 46 T HN -0.744 7.475 8.240 -0.035 0.000 0.436 47 V N 1.099 121.075 119.914 0.104 0.000 2.261 47 V HA -0.549 3.662 4.120 0.152 0.000 0.246 47 V C 1.846 178.042 176.094 0.170 0.000 1.047 47 V CA 4.600 67.007 62.300 0.180 0.000 1.015 47 V CB -0.829 31.198 31.823 0.340 0.000 0.642 47 V HN -0.042 8.203 8.190 0.092 0.000 0.446 48 E N -1.591 118.718 120.200 0.183 0.000 2.110 48 E HA -0.366 4.087 4.350 0.171 0.000 0.193 48 E C 2.621 179.272 176.600 0.083 0.000 0.988 48 E CA 3.027 59.518 56.400 0.153 0.000 0.804 48 E CB -0.739 29.054 29.700 0.156 0.000 0.745 48 E HN -0.375 8.095 8.360 0.183 0.000 0.458 49 E N -0.238 119.991 120.200 0.049 0.000 2.072 49 E HA -0.262 4.089 4.350 0.003 0.000 0.191 49 E C 2.209 178.807 176.600 -0.003 0.000 0.985 49 E CA 2.669 59.072 56.400 0.006 0.000 0.801 49 E CB -0.154 29.532 29.700 -0.022 0.000 0.750 49 E HN -0.380 8.008 8.360 0.047 0.000 0.452 50 A N 0.185 123.019 122.820 0.025 0.000 1.877 50 A HA -0.267 4.043 4.320 -0.016 0.000 0.216 50 A C 2.152 179.801 177.584 0.108 0.000 1.186 50 A CA 3.067 55.136 52.037 0.053 0.000 0.620 50 A CB -0.502 18.565 19.000 0.111 0.000 0.822 50 A HN -0.590 7.585 8.150 0.042 0.000 0.443 51 L N -3.120 118.166 121.223 0.105 0.000 2.131 51 L HA -0.260 4.274 4.340 0.122 -0.121 0.210 51 L C 3.162 180.085 176.870 0.089 0.000 1.092 51 L CA 2.365 57.268 54.840 0.105 0.000 0.759 51 L CB -0.370 41.742 42.059 0.089 0.000 0.903 51 L HN -0.223 8.068 8.230 0.102 0.000 0.435 52 S N -0.091 115.648 115.700 0.065 0.000 2.442 52 S HA -0.236 4.265 4.470 0.051 0.000 0.236 52 S C 1.252 175.884 174.600 0.052 0.000 1.007 52 S CA 2.517 60.746 58.200 0.048 0.000 0.965 52 S CB -0.203 63.013 63.200 0.027 0.000 0.773 52 S HN 0.034 8.364 8.310 0.059 0.015 0.504 53 R N -1.194 119.344 120.500 0.064 0.000 2.334 53 R HA 0.137 4.527 4.340 0.083 0.000 0.216 53 R C -0.136 176.328 176.300 0.273 0.000 0.905 53 R CA -0.717 55.448 56.100 0.107 0.000 1.064 53 R CB 0.014 30.261 30.300 -0.088 0.000 1.046 53 R HN -0.792 7.480 8.270 0.058 0.033 0.508 54 G N -2.252 106.682 108.800 0.225 0.000 2.160 54 G HA2 -0.310 3.738 3.960 0.145 0.000 0.251 54 G HA3 -0.310 3.755 3.960 0.174 0.000 0.251 54 G C -0.069 175.002 174.900 0.284 0.000 1.008 54 G CA 0.398 45.624 45.100 0.209 0.000 0.724 54 G HN -0.468 7.757 8.290 0.167 0.166 0.514 55 W N -0.339 120.971 121.300 0.015 0.000 2.436 55 W HA 0.263 5.008 4.660 0.013 -0.077 0.347 55 W C -0.464 176.066 176.519 0.018 0.000 1.136 55 W CA -1.794 55.561 57.345 0.016 0.000 1.286 55 W CB 1.531 31.001 29.460 0.017 0.000 1.253 55 W HN -0.629 7.826 8.180 0.519 0.037 0.617 56 S N -0.817 115.005 115.700 0.203 0.000 2.669 56 S HA 0.550 5.205 4.470 0.119 -0.114 0.270 56 S C -0.593 174.106 174.600 0.165 0.000 1.225 56 S CA -0.106 58.175 58.200 0.135 0.000 0.991 56 S CB 1.610 64.848 63.200 0.063 0.000 0.987 56 S HN 0.297 8.693 8.310 0.142 0.000 0.552 57 V N -3.689 116.298 119.914 0.121 0.000 2.547 57 V HA 0.952 5.346 4.120 0.128 -0.198 0.299 57 V C -1.125 175.021 176.094 0.086 0.000 1.040 57 V CA -3.246 59.122 62.300 0.113 0.000 0.913 57 V CB 1.160 33.048 31.823 0.109 0.000 0.992 57 V HN 0.177 8.428 8.190 0.102 0.000 0.449 58 K N 1.560 122.008 120.400 0.080 0.000 2.395 58 K HA 0.733 5.214 4.320 0.053 -0.129 0.247 58 K C -0.449 176.183 176.600 0.054 0.000 0.973 58 K CA -2.473 53.849 56.287 0.059 0.000 0.828 58 K CB 3.565 36.097 32.500 0.053 0.000 1.272 58 K HN 0.248 8.550 8.250 0.087 0.000 0.439 59 S N 0.140 115.866 115.700 0.042 0.000 2.589 59 S HA 0.105 4.600 4.470 0.042 0.000 0.265 59 S C 0.719 175.339 174.600 0.033 0.000 1.342 59 S CA 0.848 59.070 58.200 0.037 0.000 1.005 59 S CB 0.394 63.611 63.200 0.027 0.000 0.909 59 S HN 0.067 8.689 8.310 0.038 -0.290 0.555 60 G N -0.312 108.506 108.800 0.029 0.000 2.615 60 G HA2 -0.273 3.807 3.960 0.021 0.000 0.218 60 G HA3 -0.273 3.700 3.960 0.022 0.000 0.218 60 G C -1.850 173.066 174.900 0.028 0.000 1.339 60 G CA -0.501 44.614 45.100 0.024 0.000 0.884 60 G HN 0.315 8.623 8.290 0.030 0.000 0.559 61 T N -1.538 113.031 114.554 0.024 0.000 2.952 61 T HA 0.055 4.420 4.350 0.025 0.000 0.286 61 T C -0.204 174.512 174.700 0.026 0.000 1.024 61 T CA -0.848 61.266 62.100 0.024 0.000 1.029 61 T CB 2.370 71.249 68.868 0.019 0.000 1.094 61 T HN 0.157 8.409 8.240 0.021 0.000 0.515 62 G N -0.241 108.575 108.800 0.026 0.000 2.332 62 G HA2 -0.082 3.894 3.960 0.025 0.000 0.265 62 G HA3 -0.082 3.898 3.960 0.033 0.000 0.265 62 G C -1.845 173.076 174.900 0.034 0.000 1.329 62 G CA -0.363 44.755 45.100 0.029 0.000 0.949 62 G HN -0.111 8.194 8.290 0.024 0.000 0.476 63 T N -1.366 113.213 114.554 0.042 0.000 2.940 63 T HA 0.261 4.636 4.350 0.041 0.000 0.288 63 T C -0.818 173.931 174.700 0.081 0.000 1.033 63 T CA -1.341 60.789 62.100 0.050 0.000 1.033 63 T CB 2.130 71.026 68.868 0.046 0.000 1.079 63 T HN -0.165 8.100 8.240 0.043 0.000 0.496 64 E N 1.791 122.049 120.200 0.098 0.000 2.465 64 E HA -0.335 4.281 4.350 0.214 -0.138 0.260 64 E C -0.693 176.047 176.600 0.233 0.000 0.980 64 E CA 0.744 57.260 56.400 0.194 0.000 0.927 64 E CB 0.479 30.272 29.700 0.155 0.000 0.934 64 E HN 0.070 8.472 8.360 0.071 0.000 0.459 65 D N 4.371 124.919 120.400 0.247 0.000 2.428 65 D HA 0.126 4.828 4.640 0.104 0.000 0.221 65 D C -0.399 175.944 176.300 0.071 0.000 1.123 65 D CA -1.362 52.713 54.000 0.125 0.000 0.869 65 D CB 0.778 41.612 40.800 0.057 0.000 1.032 65 D HN 0.023 8.559 8.370 0.277 0.000 0.506 66 A N 6.181 129.054 122.820 0.090 0.000 2.167 66 A HA -0.028 4.210 4.320 -0.137 0.000 0.214 66 A C 1.296 178.794 177.584 -0.144 0.000 1.151 66 A CA 2.179 54.212 52.037 -0.007 0.000 0.735 66 A CB -0.160 18.926 19.000 0.143 0.000 0.802 66 A HN 0.590 8.810 8.150 0.117 0.000 0.467 67 T N -0.292 114.207 114.554 -0.093 0.000 2.732 67 T HA -0.221 4.074 4.350 -0.091 0.000 0.261 67 T C 1.270 175.877 174.700 -0.155 0.000 1.040 67 T CA 3.542 65.583 62.100 -0.098 0.000 1.145 67 T CB 0.063 68.900 68.868 -0.052 0.000 0.866 67 T HN -0.313 8.066 8.240 -0.051 -0.169 0.427 68 K N -1.413 118.890 120.400 -0.162 0.000 2.393 68 K HA 0.103 4.328 4.320 -0.158 0.000 0.193 68 K C -0.367 176.049 176.600 -0.307 0.000 1.026 68 K CA -0.518 55.663 56.287 -0.176 0.000 1.064 68 K CB 1.035 33.477 32.500 -0.097 0.000 0.833 68 K HN -0.584 7.852 8.250 -0.130 -0.265 0.521 69 K N -2.996 117.076 120.400 -0.546 0.000 3.419 69 K HA -0.410 2.879 4.320 -1.855 -0.082 0.272 69 K C -2.273 174.093 176.600 -0.390 0.000 0.973 69 K CA 0.780 56.380 56.287 -1.145 0.000 0.749 69 K CB -2.714 28.897 32.500 -1.481 0.000 1.403 69 K HN -0.429 7.466 8.250 -0.513 0.048 0.456 70 E N -2.000 118.188 120.200 -0.019 0.000 2.199 70 E HA 0.563 5.198 4.350 0.186 -0.174 0.265 70 E C -1.234 175.557 176.600 0.318 0.000 0.882 70 E CA -1.515 54.986 56.400 0.168 0.000 0.759 70 E CB 3.981 33.721 29.700 0.067 0.000 1.148 70 E HN -0.608 7.731 8.360 -0.035 0.000 0.412 71 V N 4.257 124.353 119.914 0.304 0.000 2.370 71 V HA 0.350 4.594 4.120 0.206 0.000 0.279 71 V C -2.140 174.028 176.094 0.123 0.000 1.029 71 V CA -3.362 59.060 62.300 0.204 0.000 0.870 71 V CB 0.938 32.845 31.823 0.139 0.000 0.984 71 V HN 0.655 9.015 8.190 0.285 0.000 0.451 72 P HA 0.211 4.841 4.420 0.067 -0.170 0.271 72 P C -0.117 177.215 177.300 0.055 0.000 1.218 72 P CA -0.890 62.249 63.100 0.066 0.000 0.780 72 P CB 1.000 32.732 31.700 0.053 0.000 0.901 73 L N 0.013 121.268 121.223 0.052 0.000 2.127 73 L HA -0.389 3.980 4.340 0.048 0.000 0.211 73 L C 1.007 177.896 176.870 0.032 0.000 1.089 73 L CA 1.744 56.611 54.840 0.045 0.000 0.757 73 L CB 0.163 42.251 42.059 0.049 0.000 0.899 73 L HN 0.020 8.282 8.230 0.053 0.000 0.434 74 G N -4.656 104.161 108.800 0.029 0.000 2.175 74 G HA2 -0.349 3.624 3.960 0.022 0.000 0.244 74 G HA3 -0.349 3.621 3.960 0.017 0.000 0.244 74 G C -0.782 174.129 174.900 0.020 0.000 0.982 74 G CA 0.031 45.144 45.100 0.021 0.000 0.641 74 G HN -0.142 8.160 8.290 0.032 0.007 0.527 75 V N 1.182 121.111 119.914 0.025 0.000 2.555 75 V HA 0.186 4.321 4.120 0.024 0.000 0.302 75 V C -1.794 174.316 176.094 0.027 0.000 1.038 75 V CA -2.296 60.020 62.300 0.028 0.000 0.887 75 V CB 2.183 34.028 31.823 0.036 0.000 0.991 75 V HN -0.549 7.608 8.190 0.028 0.050 0.434 76 A N 6.498 129.333 122.820 0.025 0.000 2.407 76 A HA 0.075 4.404 4.320 0.016 0.000 0.248 76 A C 0.678 178.272 177.584 0.017 0.000 1.082 76 A CA 0.287 52.336 52.037 0.019 0.000 0.785 76 A CB 0.738 19.749 19.000 0.017 0.000 1.020 76 A HN 0.233 8.398 8.150 0.025 0.000 0.489 77 A N 0.730 123.550 122.820 0.001 0.000 1.978 77 A HA -0.252 4.055 4.320 -0.022 0.000 0.220 77 A C 0.215 177.777 177.584 -0.036 0.000 1.170 77 A CA 2.499 54.523 52.037 -0.023 0.000 0.636 77 A CB -0.317 18.662 19.000 -0.034 0.000 0.810 77 A HN 0.560 8.710 8.150 0.000 0.000 0.448 78 D N -5.462 114.931 120.400 -0.012 0.000 2.463 78 D HA 0.199 4.827 4.640 -0.019 0.000 0.224 78 D C 0.728 177.049 176.300 0.035 0.000 1.174 78 D CA -1.283 52.716 54.000 -0.002 0.000 0.829 78 D CB -1.737 39.061 40.800 -0.004 0.000 0.993 78 D HN 0.047 8.388 8.370 -0.004 0.027 0.497 79 A N 0.741 123.593 122.820 0.053 0.000 1.940 79 A HA -0.336 4.011 4.320 0.046 0.000 0.219 79 A C -0.158 177.478 177.584 0.087 0.000 1.176 79 A CA 2.494 54.569 52.037 0.064 0.000 0.631 79 A CB -0.290 18.750 19.000 0.066 0.000 0.814 79 A HN -0.528 7.592 8.150 0.050 0.060 0.446 80 N N -1.863 116.929 118.700 0.153 0.000 2.444 80 N HA 0.035 4.843 4.740 0.114 0.000 0.262 80 N C -0.014 175.615 175.510 0.199 0.000 0.974 80 N CA -1.260 51.901 53.050 0.184 0.000 0.933 80 N CB 0.951 39.602 38.487 0.274 0.000 1.137 80 N HN -0.237 8.243 8.380 0.188 0.013 0.498 81 K N 5.513 125.985 120.400 0.120 0.000 2.555 81 K HA -0.141 4.230 4.320 0.085 0.000 0.193 81 K C 0.820 177.494 176.600 0.124 0.000 1.032 81 K CA 0.145 56.490 56.287 0.098 0.000 1.004 81 K CB -0.971 31.565 32.500 0.060 0.000 0.804 81 K HN 0.637 8.942 8.250 0.092 0.000 0.496 82 L N -3.414 117.927 121.223 0.197 0.000 2.465 82 L HA -0.250 4.183 4.340 0.156 0.000 0.224 82 L C -0.116 176.943 176.870 0.314 0.000 1.145 82 L CA 1.256 56.238 54.840 0.237 0.000 0.834 82 L CB -0.208 41.976 42.059 0.209 0.000 0.944 82 L HN -0.329 8.283 8.230 0.211 -0.256 0.451 83 G N -4.691 104.248 108.800 0.232 0.000 2.399 83 G HA2 0.106 4.020 3.960 -0.077 0.000 0.256 83 G HA3 0.106 4.127 3.960 -0.203 -0.183 0.256 83 G C -2.689 171.953 174.900 -0.430 0.000 1.236 83 G CA 0.378 45.400 45.100 -0.130 0.000 0.914 83 G HN -0.341 8.059 8.290 0.246 0.038 0.482 84 T N -1.138 112.979 114.554 -0.727 0.000 2.893 84 T HA 0.870 5.204 4.350 -0.380 -0.212 0.293 84 T C -1.026 173.301 174.700 -0.622 0.000 1.027 84 T CA -2.402 59.395 62.100 -0.505 0.000 0.988 84 T CB 3.193 71.911 68.868 -0.251 0.000 1.043 84 T HN -0.005 7.751 8.240 -0.806 0.000 0.461 85 I N 4.343 124.715 120.570 -0.331 0.000 2.353 85 I HA 0.679 4.968 4.170 -0.167 -0.219 0.293 85 I C -0.977 175.095 176.117 -0.076 0.000 0.992 85 I CA -1.005 60.203 61.300 -0.152 0.000 1.268 85 I CB 1.728 39.724 38.000 -0.007 0.000 1.387 85 I HN 0.037 8.109 8.210 -0.231 0.000 0.478 86 A N 6.076 128.877 122.820 -0.033 0.000 2.475 86 A HA 0.439 4.755 4.320 -0.007 0.000 0.301 86 A C -2.649 174.953 177.584 0.031 0.000 1.059 86 A CA -1.345 50.689 52.037 -0.006 0.000 0.710 86 A CB 3.582 22.572 19.000 -0.018 0.000 1.288 86 A HN 0.273 8.412 8.150 -0.017 0.000 0.408 87 L N 0.762 122.007 121.223 0.036 0.000 2.322 87 L HA 1.009 5.574 4.340 0.073 -0.181 0.281 87 L C -0.857 176.037 176.870 0.040 0.000 1.014 87 L CA -0.777 54.096 54.840 0.055 0.000 0.815 87 L CB 2.669 44.763 42.059 0.059 0.000 1.247 87 L HN 0.239 8.485 8.230 0.027 0.000 0.421 88 K N 5.749 126.175 120.400 0.043 0.000 2.464 88 K HA 0.567 4.901 4.320 0.023 0.000 0.253 88 K C -2.702 173.911 176.600 0.022 0.000 0.933 88 K CA -3.186 53.117 56.287 0.026 0.000 0.801 88 K CB 2.877 35.389 32.500 0.020 0.000 1.271 88 K HN 0.228 8.510 8.250 0.053 0.000 0.430 89 P HA -0.082 4.344 4.420 0.011 0.000 0.272 89 P C -2.117 175.195 177.300 0.021 0.000 1.240 89 P CA -0.125 62.982 63.100 0.012 0.000 0.791 89 P CB 0.664 32.367 31.700 0.005 0.000 0.978 90 D N -1.538 118.873 120.400 0.018 0.000 2.421 90 D HA 0.267 4.925 4.640 0.029 0.000 0.254 90 D C -1.544 174.766 176.300 0.016 0.000 1.238 90 D CA -3.234 50.779 54.000 0.022 0.000 0.919 90 D CB 0.563 41.376 40.800 0.021 0.000 1.152 90 D HN -0.077 8.301 8.370 0.013 0.000 0.552 91 P HA 0.352 4.913 4.420 0.035 -0.120 0.278 91 P C -2.139 175.176 177.300 0.025 0.000 1.266 91 P CA -0.871 62.245 63.100 0.027 0.000 0.807 91 P CB 1.881 33.596 31.700 0.024 0.000 1.094 92 A N -1.247 121.596 122.820 0.037 0.000 2.330 92 A HA 0.290 4.622 4.320 0.020 0.000 0.313 92 A C -1.312 176.295 177.584 0.039 0.000 1.124 92 A CA -0.850 51.206 52.037 0.032 0.000 0.774 92 A CB 2.904 21.926 19.000 0.037 0.000 1.198 92 A HN 0.095 8.274 8.150 0.048 0.000 0.465 93 D N 2.079 122.493 120.400 0.024 0.000 2.398 93 D HA 0.025 4.692 4.640 0.046 0.000 0.210 93 D C 0.666 176.981 176.300 0.026 0.000 1.094 93 D CA -1.193 52.824 54.000 0.029 0.000 0.839 93 D CB 0.397 41.205 40.800 0.013 0.000 0.963 93 D HN 0.454 8.832 8.370 0.014 0.000 0.506 94 G N -0.930 107.877 108.800 0.011 0.000 2.199 94 G HA2 -0.326 3.622 3.960 -0.021 0.000 0.254 94 G HA3 -0.326 3.639 3.960 0.008 0.000 0.254 94 G C 0.906 175.794 174.900 -0.020 0.000 0.982 94 G CA 0.693 45.790 45.100 -0.005 0.000 0.632 94 G HN 0.265 8.558 8.290 0.006 0.000 0.529 95 T N -1.887 112.658 114.554 -0.015 0.000 3.107 95 T HA -0.034 4.304 4.350 -0.020 0.000 0.249 95 T C -0.471 174.213 174.700 -0.027 0.000 1.096 95 T CA 0.151 62.240 62.100 -0.019 0.000 1.012 95 T CB 0.166 69.027 68.868 -0.012 0.000 0.977 95 T HN -0.266 8.209 8.240 -0.009 -0.241 0.527 96 A N 1.185 123.984 122.820 -0.035 0.000 2.556 96 A HA 0.144 4.439 4.320 -0.040 0.000 0.294 96 A C -2.608 174.938 177.584 -0.063 0.000 1.091 96 A CA -0.831 51.182 52.037 -0.040 0.000 0.704 96 A CB 2.338 21.321 19.000 -0.028 0.000 1.300 96 A HN -0.707 7.365 8.150 -0.036 0.057 0.406 97 D N -0.640 119.719 120.400 -0.069 0.000 2.506 97 D HA -0.088 4.639 4.640 -0.136 -0.168 0.234 97 D C -0.296 175.950 176.300 -0.089 0.000 1.143 97 D CA 1.030 54.970 54.000 -0.099 0.000 0.871 97 D CB 0.338 41.091 40.800 -0.078 0.000 1.190 97 D HN -0.087 8.249 8.370 -0.057 0.000 0.459 98 I N 2.683 123.170 120.570 -0.138 0.000 2.474 98 I HA 0.302 4.622 4.170 -0.039 -0.173 0.294 98 I C -0.738 175.349 176.117 -0.050 0.000 1.005 98 I CA -1.095 60.154 61.300 -0.086 0.000 1.113 98 I CB 3.111 41.052 38.000 -0.099 0.000 1.289 98 I HN 0.225 8.308 8.210 -0.211 0.000 0.436 99 T N 3.806 118.379 114.554 0.031 0.000 2.856 99 T HA 0.922 5.572 4.350 0.120 -0.228 0.283 99 T C -0.922 173.863 174.700 0.142 0.000 1.008 99 T CA -2.551 59.605 62.100 0.093 0.000 0.997 99 T CB 2.439 71.346 68.868 0.066 0.000 0.992 99 T HN 0.665 8.924 8.240 0.031 0.000 0.454 100 L N 5.535 126.881 121.223 0.206 0.000 2.298 100 L HA 0.751 5.362 4.340 0.139 -0.188 0.284 100 L C -0.564 176.393 176.870 0.145 0.000 1.013 100 L CA -1.271 53.673 54.840 0.175 0.000 0.824 100 L CB 1.793 43.972 42.059 0.200 0.000 1.221 100 L HN 0.573 8.958 8.230 0.258 0.000 0.418 101 T N 0.831 115.448 114.554 0.105 0.000 2.888 101 T HA 0.816 5.431 4.350 0.128 -0.188 0.284 101 T C -1.392 173.371 174.700 0.106 0.000 1.017 101 T CA -2.604 59.557 62.100 0.101 0.000 1.022 101 T CB 2.889 71.790 68.868 0.055 0.000 1.013 101 T HN 0.523 8.812 8.240 0.083 0.000 0.465 102 F N 4.901 124.870 119.950 0.033 0.000 2.403 102 F HA 0.472 5.193 4.527 0.022 -0.181 0.355 102 F C -1.867 173.947 175.800 0.023 0.000 1.119 102 F CA -1.935 56.079 58.000 0.024 0.000 1.007 102 F CB 2.924 41.935 39.000 0.018 0.000 1.194 102 F HN 0.592 9.039 8.300 0.245 0.000 0.443 103 T N 10.092 124.484 114.554 -0.269 0.000 2.743 103 T HA 0.354 4.714 4.350 0.017 0.000 0.292 103 T C -0.680 173.967 174.700 -0.088 0.000 0.972 103 T CA 0.434 62.473 62.100 -0.101 0.000 0.967 103 T CB 0.850 69.646 68.868 -0.121 0.000 0.926 103 T HN 0.721 8.627 8.240 -0.556 0.000 0.459 104 M N 8.994 128.658 119.600 0.107 0.000 3.709 104 M HA 0.263 5.060 4.480 0.303 -0.136 0.202 104 M C 0.501 176.851 176.300 0.084 0.000 1.360 104 M CA -0.142 55.271 55.300 0.188 0.000 1.600 104 M CB -1.836 30.888 32.600 0.208 0.000 1.061 104 M HN 0.490 8.849 8.290 0.114 0.000 0.575 105 G N 0.295 109.109 108.800 0.023 0.000 2.509 105 G HA2 -0.182 3.786 3.960 0.013 0.000 0.218 105 G HA3 -0.182 3.772 3.960 -0.011 0.000 0.218 105 G C -0.034 174.881 174.900 0.025 0.000 1.124 105 G CA 1.570 46.676 45.100 0.010 0.000 0.776 105 G HN -0.062 8.154 8.290 -0.021 0.062 0.547 106 G N -0.780 108.050 108.800 0.051 0.000 3.088 106 G HA2 0.195 4.177 3.960 0.035 0.000 0.217 106 G HA3 0.195 4.386 3.960 0.066 -0.191 0.217 106 G C -0.798 174.135 174.900 0.056 0.000 1.159 106 G CA -1.237 43.895 45.100 0.054 0.000 0.760 106 G HN -0.385 7.817 8.290 0.072 0.132 0.550 107 A N 0.529 123.384 122.820 0.059 0.000 2.259 107 A HA 0.075 4.497 4.320 0.044 -0.076 0.278 107 A C -0.022 177.566 177.584 0.006 0.000 1.107 107 A CA -0.595 51.466 52.037 0.039 0.000 0.828 107 A CB 1.592 20.617 19.000 0.041 0.000 1.111 107 A HN -0.880 7.256 8.150 0.064 0.053 0.498 108 G N -2.370 106.418 108.800 -0.020 0.000 2.631 108 G HA2 0.134 4.070 3.960 -0.040 0.000 0.271 108 G HA3 0.134 4.092 3.960 -0.070 -0.040 0.271 108 G C -1.313 173.560 174.900 -0.045 0.000 1.302 108 G CA -1.265 43.807 45.100 -0.047 0.000 1.002 108 G HN -0.189 8.421 8.290 -0.022 -0.333 0.519 109 P HA -0.174 4.234 4.420 -0.019 0.000 0.218 109 P C 0.018 177.302 177.300 -0.026 0.000 1.149 109 P CA 1.654 64.736 63.100 -0.030 0.000 0.817 109 P CB 0.105 31.788 31.700 -0.028 0.000 0.785 110 K N -5.665 114.701 120.400 -0.057 0.000 2.097 110 K HA -0.208 4.116 4.320 0.008 0.000 0.205 110 K C 1.157 177.742 176.600 -0.025 0.000 1.050 110 K CA 2.270 58.532 56.287 -0.043 0.000 0.938 110 K CB 0.020 32.439 32.500 -0.136 0.000 0.718 110 K HN -0.122 8.895 8.250 -0.086 -0.819 0.442 111 N N -3.642 115.024 118.700 -0.055 0.000 2.282 111 N HA 0.087 4.837 4.740 0.018 0.000 0.185 111 N C -0.511 175.011 175.510 0.021 0.000 1.099 111 N CA -0.030 53.013 53.050 -0.011 0.000 0.878 111 N CB 1.747 40.214 38.487 -0.034 0.000 0.993 111 N HN -0.759 7.776 8.380 -0.080 -0.203 0.481 112 K N 1.159 121.566 120.400 0.011 0.000 2.448 112 K HA -0.240 4.341 4.320 0.032 -0.241 0.278 112 K C 0.762 177.378 176.600 0.028 0.000 1.009 112 K CA 1.842 58.142 56.287 0.022 0.000 0.995 112 K CB 0.137 32.643 32.500 0.011 0.000 0.917 112 K HN -0.572 7.676 8.250 -0.002 0.000 0.481 113 G N 3.872 112.690 108.800 0.030 0.000 2.179 113 G HA2 -0.326 3.647 3.960 0.022 0.000 0.260 113 G HA3 -0.326 3.648 3.960 0.024 0.000 0.260 113 G C -0.020 174.904 174.900 0.039 0.000 0.977 113 G CA 0.405 45.521 45.100 0.028 0.000 0.641 113 G HN -0.038 8.271 8.290 0.032 0.000 0.533 114 K N -0.112 120.321 120.400 0.055 0.000 2.095 114 K HA 0.417 4.882 4.320 0.060 -0.110 0.252 114 K C -1.639 175.014 176.600 0.087 0.000 0.977 114 K CA -1.900 54.428 56.287 0.068 0.000 0.900 114 K CB 2.039 34.586 32.500 0.077 0.000 1.060 114 K HN -0.550 7.681 8.250 0.058 0.053 0.449 115 I N 0.184 120.807 120.570 0.087 0.000 2.533 115 I HA 0.579 5.014 4.170 0.122 -0.191 0.290 115 I C -1.217 174.966 176.117 0.110 0.000 1.056 115 I CA -1.070 60.290 61.300 0.099 0.000 1.057 115 I CB 3.702 41.742 38.000 0.066 0.000 1.240 115 I HN 0.344 8.935 8.210 0.079 -0.333 0.423 116 I N 7.558 128.215 120.570 0.145 0.000 2.336 116 I HA 0.342 4.707 4.170 0.104 -0.133 0.292 116 I C -0.857 175.339 176.117 0.131 0.000 0.991 116 I CA -0.778 60.599 61.300 0.128 0.000 1.227 116 I CB 1.837 39.911 38.000 0.124 0.000 1.366 116 I HN 0.308 8.632 8.210 0.191 0.000 0.466 117 T N 9.648 124.268 114.554 0.110 0.000 2.786 117 T HA 0.461 5.027 4.350 0.122 -0.142 0.283 117 T C -1.287 173.495 174.700 0.137 0.000 0.992 117 T CA -0.468 61.701 62.100 0.115 0.000 0.954 117 T CB 1.300 70.222 68.868 0.090 0.000 0.934 117 T HN 0.730 9.029 8.240 0.099 0.000 0.440 118 L N 8.327 129.660 121.223 0.183 0.000 2.272 118 L HA 0.612 5.302 4.340 0.255 -0.197 0.289 118 L C -0.704 176.368 176.870 0.338 0.000 1.032 118 L CA -1.202 53.809 54.840 0.284 0.000 0.810 118 L CB 0.796 43.029 42.059 0.290 0.000 1.205 118 L HN 0.882 9.222 8.230 0.184 0.000 0.422 119 T N 6.451 121.159 114.554 0.256 0.000 2.779 119 T HA 0.554 5.112 4.350 0.026 -0.192 0.280 119 T C -1.474 173.127 174.700 -0.164 0.000 0.987 119 T CA -0.287 61.846 62.100 0.054 0.000 0.966 119 T CB 1.519 70.398 68.868 0.019 0.000 0.933 119 T HN 0.337 8.729 8.240 0.253 0.000 0.442 120 R N 8.502 128.638 120.500 -0.607 0.000 2.215 120 R HA 0.602 4.495 4.340 -1.107 -0.217 0.337 120 R C -0.257 175.746 176.300 -0.495 0.000 1.010 120 R CA -1.847 53.623 56.100 -1.050 0.000 0.871 120 R CB 1.698 30.930 30.300 -1.779 0.000 1.134 120 R HN 0.726 8.681 8.270 -0.525 0.000 0.477 121 T N 5.893 120.247 114.554 -0.335 0.000 2.814 121 T HA 0.131 4.559 4.350 -0.169 -0.179 0.297 121 T C 0.133 174.722 174.700 -0.185 0.000 0.956 121 T CA -0.204 61.779 62.100 -0.195 0.000 1.123 121 T CB 0.627 69.423 68.868 -0.120 0.000 0.902 121 T HN 0.062 8.110 8.240 -0.320 0.000 0.528 122 A N 7.593 130.329 122.820 -0.141 0.000 2.067 122 A HA -0.248 3.995 4.320 -0.129 0.000 0.219 122 A C 0.667 178.205 177.584 -0.077 0.000 1.158 122 A CA 2.371 54.342 52.037 -0.110 0.000 0.661 122 A CB -0.618 18.334 19.000 -0.081 0.000 0.801 122 A HN 0.328 8.713 8.150 -0.125 -0.310 0.452 123 A N -2.986 119.795 122.820 -0.066 0.000 2.014 123 A HA -0.163 4.135 4.320 -0.037 0.000 0.218 123 A C 0.445 178.004 177.584 -0.041 0.000 1.163 123 A CA 2.286 54.297 52.037 -0.044 0.000 0.652 123 A CB 0.055 19.033 19.000 -0.036 0.000 0.808 123 A HN 0.489 8.569 8.150 -0.070 0.027 0.449 124 D N -4.837 115.531 120.400 -0.053 0.000 2.514 124 D HA 0.007 4.631 4.640 -0.027 0.000 0.225 124 D C 1.319 177.592 176.300 -0.046 0.000 1.159 124 D CA -0.752 53.224 54.000 -0.039 0.000 0.823 124 D CB 0.625 41.408 40.800 -0.029 0.000 1.097 124 D HN -0.592 7.714 8.370 -0.070 0.022 0.519 125 G N 0.223 108.970 108.800 -0.087 0.000 2.168 125 G HA2 -0.470 3.398 3.960 -0.154 0.000 0.257 125 G HA3 -0.470 3.461 3.960 -0.048 0.000 0.257 125 G C -0.869 173.961 174.900 -0.116 0.000 0.997 125 G CA 0.990 46.028 45.100 -0.103 0.000 0.708 125 G HN -0.129 8.097 8.290 -0.107 0.000 0.520 126 L N -1.773 119.374 121.223 -0.127 0.000 2.344 126 L HA 0.243 4.621 4.340 0.064 0.000 0.272 126 L C -1.004 175.780 176.870 -0.144 0.000 1.035 126 L CA -1.167 53.649 54.840 -0.040 0.000 0.807 126 L CB 1.561 43.625 42.059 0.010 0.000 1.237 126 L HN -0.672 7.722 8.230 -0.130 -0.242 0.442 127 W N -0.562 120.745 121.300 0.011 0.000 2.551 127 W HA 0.659 5.546 4.660 0.014 -0.218 0.330 127 W C -0.533 175.994 176.519 0.012 0.000 1.063 127 W CA -1.361 55.992 57.345 0.013 0.000 1.222 127 W CB 2.542 32.010 29.460 0.013 0.000 1.349 127 W HN -0.084 8.305 8.180 0.349 0.000 0.536 128 K N 1.352 121.912 120.400 0.266 0.000 2.482 128 K HA 0.437 4.852 4.320 0.158 0.000 0.257 128 K C -2.215 174.492 176.600 0.178 0.000 0.969 128 K CA -1.629 54.760 56.287 0.170 0.000 0.842 128 K CB 4.154 36.712 32.500 0.096 0.000 1.359 128 K HN 0.680 9.089 8.250 0.265 0.000 0.441 129 C N 3.502 122.874 119.300 0.120 0.000 2.340 129 C HA 0.806 5.523 4.460 0.121 -0.184 0.323 129 C C -1.201 173.835 174.990 0.077 0.000 1.260 129 C CA -2.465 56.614 59.018 0.101 0.000 1.464 129 C CB 1.575 29.358 27.740 0.073 0.000 2.156 129 C HN 0.871 9.160 8.230 0.100 0.000 0.476 130 T N 7.018 121.619 114.554 0.077 0.000 2.907 130 T HA 1.036 5.645 4.350 0.055 -0.225 0.292 130 T C -1.711 173.028 174.700 0.066 0.000 1.043 130 T CA -1.797 60.340 62.100 0.062 0.000 1.003 130 T CB 3.339 72.240 68.868 0.055 0.000 1.084 130 T HN 0.683 8.975 8.240 0.087 0.000 0.483 131 S N 0.999 116.735 115.700 0.059 0.000 2.546 131 S HA 0.719 5.415 4.470 0.072 -0.183 0.274 131 S C -1.097 173.538 174.600 0.060 0.000 1.121 131 S CA -2.257 55.983 58.200 0.066 0.000 0.887 131 S CB 1.901 65.143 63.200 0.070 0.000 1.094 131 S HN 0.125 8.467 8.310 0.053 0.000 0.474 132 D N 3.002 123.440 120.400 0.063 0.000 2.368 132 D HA 0.198 4.868 4.640 0.050 0.000 0.218 132 D C 0.369 176.710 176.300 0.067 0.000 1.112 132 D CA -1.452 52.582 54.000 0.057 0.000 0.834 132 D CB -0.018 40.811 40.800 0.049 0.000 0.953 132 D HN -0.117 8.293 8.370 0.068 0.000 0.505 133 Q N 0.600 120.450 119.800 0.084 0.000 2.524 133 Q HA -0.180 4.226 4.340 0.110 0.000 0.246 133 Q C 0.080 176.144 176.000 0.106 0.000 1.063 133 Q CA 0.947 56.817 55.803 0.111 0.000 0.945 133 Q CB 0.781 29.605 28.738 0.144 0.000 1.292 133 Q HN -0.631 7.633 8.270 0.084 0.056 0.518 134 D N 0.521 121.009 120.400 0.146 0.000 2.488 134 D HA -0.226 4.456 4.640 0.070 0.000 0.238 134 D C 1.289 177.616 176.300 0.046 0.000 1.138 134 D CA 1.466 55.530 54.000 0.108 0.000 0.873 134 D CB 0.743 41.640 40.800 0.162 0.000 1.183 134 D HN 0.473 8.953 8.370 0.183 0.000 0.458 135 E N 5.355 125.547 120.200 -0.013 0.000 2.204 135 E HA -0.441 3.905 4.350 -0.007 0.000 0.195 135 E C 2.118 178.646 176.600 -0.120 0.000 0.990 135 E CA 2.778 59.155 56.400 -0.038 0.000 0.821 135 E CB -0.190 29.491 29.700 -0.031 0.000 0.750 135 E HN 0.440 8.793 8.360 -0.013 0.000 0.477 136 Q N 0.078 119.719 119.800 -0.265 0.000 2.248 136 Q HA -0.226 3.891 4.340 -0.372 0.000 0.208 136 Q C 1.081 176.705 176.000 -0.627 0.000 0.984 136 Q CA 2.510 57.990 55.803 -0.538 0.000 0.875 136 Q CB -0.253 27.967 28.738 -0.863 0.000 0.910 136 Q HN 0.234 8.344 8.270 -0.245 0.013 0.433 137 F N -6.239 113.719 119.950 0.014 0.000 2.682 137 F HA 0.207 4.742 4.527 0.013 0.000 0.308 137 F C -1.026 174.781 175.800 0.011 0.000 1.093 137 F CA -1.625 56.383 58.000 0.014 0.000 1.244 137 F CB 0.761 39.772 39.000 0.019 0.000 1.052 137 F HN -0.485 7.679 8.300 -0.155 0.043 0.573 138 I N 1.645 122.277 120.570 0.104 0.000 2.533 138 I HA -0.043 4.359 4.170 0.095 -0.175 0.284 138 I C -1.631 174.520 176.117 0.057 0.000 1.109 138 I CA -1.098 60.248 61.300 0.078 0.000 1.412 138 I CB -0.016 38.011 38.000 0.046 0.000 1.396 138 I HN -1.008 7.228 8.210 0.045 0.000 0.543 139 P HA 0.150 4.592 4.420 0.035 0.000 0.274 139 P C -1.135 176.176 177.300 0.018 0.000 1.246 139 P CA -1.111 62.007 63.100 0.030 0.000 0.795 139 P CB 0.977 32.686 31.700 0.014 0.000 1.006 140 K N 0.986 121.391 120.400 0.010 0.000 2.491 140 K HA -0.405 3.919 4.320 0.005 0.000 0.279 140 K C 1.195 177.798 176.600 0.005 0.000 1.026 140 K CA 1.826 58.116 56.287 0.004 0.000 1.070 140 K CB 0.188 32.687 32.500 -0.002 0.000 0.887 140 K HN 0.157 8.412 8.250 0.008 0.000 0.481 141 G N 5.336 114.142 108.800 0.009 0.000 2.195 141 G HA2 -0.293 3.676 3.960 0.015 0.000 0.246 141 G HA3 -0.293 3.674 3.960 0.012 0.000 0.246 141 G C -1.276 173.639 174.900 0.025 0.000 0.984 141 G CA -0.062 45.047 45.100 0.015 0.000 0.633 141 G HN 0.415 8.711 8.290 0.009 0.000 0.525 142 C N 0.693 120.008 119.300 0.026 0.000 2.366 142 C HA 0.463 5.133 4.460 0.042 -0.184 0.345 142 C C -1.355 173.654 174.990 0.031 0.000 1.209 142 C CA -1.573 57.466 59.018 0.035 0.000 2.050 142 C CB 1.871 29.634 27.740 0.038 0.000 2.359 142 C HN -0.504 7.676 8.230 0.022 0.063 0.527 143 S N 4.631 120.352 115.700 0.036 0.000 2.715 143 S HA 0.405 4.890 4.470 0.024 0.000 0.307 143 S C -0.562 174.057 174.600 0.032 0.000 1.119 143 S CA -1.026 57.192 58.200 0.029 0.000 0.937 143 S CB 2.528 65.744 63.200 0.027 0.000 1.150 143 S HN 0.657 8.992 8.310 0.041 0.000 0.521 144 R N 0.000 120.516 120.500 0.026 0.000 2.786 144 R HA 0.000 4.545 4.340 0.033 -0.185 0.208 144 R CA 0.000 56.117 56.100 0.028 0.000 0.921 144 R CB 0.000 30.313 30.300 0.021 0.000 0.687 144 R HN 0.000 8.283 8.270 0.021 0.000 0.535