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 3lgi_1_B DATA FIRST_RESID 29 DATA SEQUENCE LNPLSTPQFD STDETPASYN LAVRRAAPAV VNVYNRGLNT NSHNQLEIRT DATA SEQUENCE LGSGVIMDQR GYIITNKHVI NDADQIIVAL QDGRVFEALL VGSDSLTDLA DATA SEQUENCE VLKINATGGL PTIPINARRV PHIGDVVLAI GNPYNLGQTI TQGIISATGR DATA SEQUENCE IGLNPTGRQN FLQTDASINH GNSGGALVNS LGELMGINTL SFDKSNDGET DATA SEQUENCE PEGIGFAIPF QLATKIMDKL IRDGRVIR 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 29 L HA 0.000 4.344 4.340 0.007 0.000 0.249 29 L C 0.000 176.874 176.870 0.006 0.000 1.165 29 L CA 0.000 54.844 54.840 0.006 0.000 0.813 29 L CB 0.000 42.063 42.059 0.007 0.000 0.961 30 N N 4.702 123.407 118.700 0.007 0.000 2.301 30 N HA 0.014 4.758 4.740 0.006 0.000 0.267 30 N C -0.126 175.387 175.510 0.006 0.000 1.304 30 N CA -0.386 52.668 53.050 0.007 0.000 0.851 30 N CB 0.789 39.282 38.487 0.009 0.000 1.070 30 N HN -0.069 8.316 8.380 0.009 0.000 0.483 31 P HA 0.015 4.437 4.420 0.003 0.000 0.229 31 P C -0.596 176.704 177.300 0.001 0.000 1.160 31 P CA 0.444 63.545 63.100 0.002 0.000 0.777 31 P CB 0.665 32.365 31.700 0.002 0.000 0.814 32 L N -0.250 120.973 121.223 0.001 0.000 2.350 32 L HA 0.089 4.427 4.340 -0.004 0.000 0.275 32 L C -0.263 176.606 176.870 -0.002 0.000 1.099 32 L CA -0.213 54.626 54.840 -0.002 0.000 0.808 32 L CB 0.376 42.434 42.059 -0.002 0.000 1.149 32 L HN -0.488 8.040 8.230 0.003 -0.296 0.442 33 S N 0.612 116.307 115.700 -0.007 0.000 2.580 33 S HA 0.084 4.552 4.470 -0.004 0.000 0.274 33 S C 0.284 174.876 174.600 -0.014 0.000 1.329 33 S CA -0.043 58.151 58.200 -0.010 0.000 1.036 33 S CB 0.295 63.484 63.200 -0.018 0.000 0.919 33 S HN -0.070 8.234 8.310 -0.010 0.000 0.515 34 T N 0.857 115.407 114.554 -0.007 0.000 2.899 34 T HA 0.375 4.721 4.350 -0.007 0.000 0.284 34 T C -2.007 172.650 174.700 -0.072 0.000 1.004 34 T CA -2.695 59.400 62.100 -0.008 0.000 1.043 34 T CB 0.187 69.082 68.868 0.046 0.000 1.013 34 T HN -0.212 8.029 8.240 0.001 0.000 0.518 35 P HA -0.010 4.261 4.420 -0.248 0.000 0.269 35 P C -1.695 175.336 177.300 -0.447 0.000 1.209 35 P CA -0.230 62.668 63.100 -0.336 0.000 0.776 35 P CB 0.591 31.984 31.700 -0.512 0.000 0.876 36 Q N 1.721 121.308 119.800 -0.355 0.000 2.243 36 Q HA 0.104 4.364 4.340 -0.132 0.000 0.252 36 Q C -0.552 175.222 176.000 -0.376 0.000 0.909 36 Q CA -0.531 55.129 55.803 -0.238 0.000 0.922 36 Q CB 0.922 29.601 28.738 -0.097 0.000 1.215 36 Q HN -0.002 8.099 8.270 -0.283 0.000 0.427 37 F N 1.664 121.613 119.950 -0.000 0.000 2.422 37 F HA 0.240 4.766 4.527 -0.001 0.000 0.333 37 F C -0.274 175.525 175.800 -0.001 0.000 1.095 37 F CA -0.654 57.345 58.000 -0.001 0.000 1.038 37 F CB 1.241 40.241 39.000 -0.001 0.000 1.156 37 F HN 0.148 8.574 8.300 0.210 0.000 0.483 38 D N 0.470 120.967 120.400 0.163 0.000 2.636 38 D HA 0.087 4.778 4.640 0.085 0.000 0.275 38 D C -1.269 175.079 176.300 0.080 0.000 1.130 38 D CA -0.898 53.155 54.000 0.088 0.000 1.031 38 D CB 1.315 42.139 40.800 0.040 0.000 1.451 38 D HN -0.061 8.414 8.370 0.175 0.000 0.505 39 S N -0.725 115.004 115.700 0.048 0.000 2.568 39 S HA -0.063 4.430 4.470 0.038 0.000 0.282 39 S C 0.141 174.762 174.600 0.035 0.000 1.338 39 S CA 0.266 58.488 58.200 0.036 0.000 1.045 39 S CB 0.618 63.831 63.200 0.021 0.000 0.873 39 S HN 0.071 8.405 8.310 0.039 0.000 0.516 40 T N 0.486 115.058 114.554 0.030 0.000 3.086 40 T HA 0.133 4.501 4.350 0.029 0.000 0.250 40 T C -0.308 174.401 174.700 0.015 0.000 1.074 40 T CA -0.504 61.611 62.100 0.026 0.000 0.988 40 T CB 0.397 69.281 68.868 0.026 0.000 0.988 40 T HN 0.030 8.286 8.240 0.027 0.000 0.530 41 D N 2.975 123.382 120.400 0.011 0.000 2.326 41 D HA 0.185 4.828 4.640 0.005 0.000 0.248 41 D C -0.954 175.347 176.300 0.002 0.000 1.001 41 D CA -0.564 53.439 54.000 0.005 0.000 0.961 41 D CB 1.556 42.358 40.800 0.003 0.000 1.183 41 D HN -0.657 7.660 8.370 0.013 0.060 0.502 42 E N 0.519 120.718 120.200 -0.002 0.000 2.422 42 E HA -0.015 4.332 4.350 -0.005 0.000 0.260 42 E C 0.111 176.705 176.600 -0.010 0.000 1.108 42 E CA -0.181 56.215 56.400 -0.006 0.000 0.943 42 E CB 0.539 30.234 29.700 -0.008 0.000 0.961 42 E HN 0.162 8.521 8.360 -0.002 0.000 0.443 43 T N 4.364 118.910 114.554 -0.014 0.000 2.749 43 T HA 0.183 4.522 4.350 -0.018 0.000 0.295 43 T C -1.930 172.752 174.700 -0.030 0.000 0.936 43 T CA -1.682 60.405 62.100 -0.021 0.000 1.060 43 T CB 0.310 69.164 68.868 -0.024 0.000 0.904 43 T HN -0.068 8.164 8.240 -0.014 0.000 0.500 44 P HA 0.044 4.442 4.420 -0.038 0.000 0.271 44 P C -0.602 176.656 177.300 -0.070 0.000 1.218 44 P CA -0.583 62.492 63.100 -0.042 0.000 0.780 44 P CB 0.419 32.098 31.700 -0.034 0.000 0.901 45 A N 2.190 124.959 122.820 -0.086 0.000 2.520 45 A HA -0.004 4.224 4.320 -0.153 0.000 0.245 45 A C -0.420 177.043 177.584 -0.203 0.000 1.072 45 A CA 0.547 52.495 52.037 -0.147 0.000 0.761 45 A CB 0.186 19.104 19.000 -0.137 0.000 1.004 45 A HN 0.025 8.132 8.150 -0.070 0.000 0.499 46 S N 2.024 117.535 115.700 -0.315 0.000 2.543 46 S HA 0.076 4.386 4.470 -0.266 0.000 0.274 46 S C -0.985 173.353 174.600 -0.437 0.000 1.149 46 S CA -0.162 57.860 58.200 -0.296 0.000 0.866 46 S CB 0.811 63.938 63.200 -0.121 0.000 1.111 46 S HN -0.164 7.935 8.310 -0.352 0.000 0.457 47 Y N 2.529 122.830 120.300 0.002 0.000 2.658 47 Y HA 0.173 4.724 4.550 0.001 0.000 0.276 47 Y C 0.216 176.117 175.900 0.001 0.000 1.167 47 Y CA -0.765 57.336 58.100 0.001 0.000 1.230 47 Y CB -0.215 38.245 38.460 0.001 0.000 1.144 47 Y HN 0.233 8.492 8.280 -0.036 0.000 0.529 48 N N 1.608 120.354 118.700 0.077 0.000 2.289 48 N HA -0.347 4.434 4.740 0.068 0.000 0.184 48 N C 1.050 176.590 175.510 0.051 0.000 1.016 48 N CA 3.240 56.324 53.050 0.057 0.000 0.872 48 N CB 0.286 38.788 38.487 0.025 0.000 0.973 48 N HN -0.403 7.927 8.380 0.025 0.065 0.433 49 L N -0.486 120.765 121.223 0.048 0.000 2.012 49 L HA -0.270 4.088 4.340 0.029 0.000 0.210 49 L C 0.947 177.845 176.870 0.047 0.000 1.073 49 L CA 3.011 57.875 54.840 0.040 0.000 0.748 49 L CB -0.335 41.745 42.059 0.035 0.000 0.891 49 L HN -0.181 8.058 8.230 0.044 0.017 0.431 50 A N -1.787 121.076 122.820 0.072 0.000 1.902 50 A HA -0.399 3.942 4.320 0.035 0.000 0.217 50 A C 2.112 179.718 177.584 0.037 0.000 1.181 50 A CA 2.962 55.031 52.037 0.052 0.000 0.623 50 A CB -0.905 18.133 19.000 0.062 0.000 0.818 50 A HN -0.606 7.606 8.150 0.103 0.000 0.443 51 V N -1.374 118.571 119.914 0.050 0.000 2.295 51 V HA -0.634 3.504 4.120 0.030 0.000 0.246 51 V C 2.379 178.490 176.094 0.028 0.000 1.049 51 V CA 4.393 66.716 62.300 0.037 0.000 1.024 51 V CB -0.337 31.514 31.823 0.046 0.000 0.648 51 V HN -0.651 7.506 8.190 0.070 0.074 0.447 52 R N -0.993 119.524 120.500 0.028 0.000 2.096 52 R HA -0.288 4.065 4.340 0.022 0.000 0.235 52 R C 2.231 178.541 176.300 0.018 0.000 1.127 52 R CA 3.349 59.462 56.100 0.022 0.000 0.968 52 R CB -0.268 30.045 30.300 0.021 0.000 0.861 52 R HN -0.147 8.143 8.270 0.033 0.000 0.440 53 R N -3.291 117.219 120.500 0.015 0.000 2.093 53 R HA -0.157 4.188 4.340 0.008 0.000 0.224 53 R C 0.904 177.207 176.300 0.004 0.000 1.101 53 R CA 2.789 58.894 56.100 0.008 0.000 0.979 53 R CB 0.301 30.603 30.300 0.004 0.000 0.877 53 R HN -0.539 7.742 8.270 0.018 0.000 0.441 54 A N -3.452 119.371 122.820 0.004 0.000 1.963 54 A HA 0.183 4.499 4.320 -0.005 0.000 0.207 54 A C 1.371 178.959 177.584 0.006 0.000 1.243 54 A CA 1.282 53.318 52.037 -0.001 0.000 0.728 54 A CB 0.638 19.632 19.000 -0.010 0.000 0.895 54 A HN -0.408 7.746 8.150 0.008 0.000 0.467 55 A N -0.519 122.308 122.820 0.012 0.000 1.978 55 A HA -0.055 4.273 4.320 0.013 0.000 0.220 55 A C -1.073 176.524 177.584 0.021 0.000 1.170 55 A CA 4.160 56.207 52.037 0.016 0.000 0.636 55 A CB -2.272 16.740 19.000 0.020 0.000 0.810 55 A HN 0.063 8.221 8.150 0.014 0.000 0.448 56 P HA -0.208 4.232 4.420 0.032 0.000 0.222 56 P C -0.378 176.941 177.300 0.031 0.000 1.147 56 P CA 1.689 64.806 63.100 0.029 0.000 0.790 56 P CB -0.280 31.436 31.700 0.027 0.000 0.780 57 A N -5.314 117.520 122.820 0.024 0.000 2.275 57 A HA 0.163 4.499 4.320 0.028 0.000 0.212 57 A C -1.596 176.003 177.584 0.024 0.000 1.201 57 A CA -0.620 51.431 52.037 0.023 0.000 0.843 57 A CB 0.819 19.828 19.000 0.015 0.000 0.873 57 A HN -0.638 7.492 8.150 0.019 0.031 0.492 58 V N 0.188 120.116 119.914 0.023 0.000 2.370 58 V HA 0.503 4.796 4.120 0.019 -0.162 0.279 58 V C -0.501 175.609 176.094 0.027 0.000 1.029 58 V CA -0.374 61.938 62.300 0.020 0.000 0.870 58 V CB 1.027 32.857 31.823 0.012 0.000 0.984 58 V HN -0.736 7.312 8.190 0.023 0.157 0.451 59 V N 0.704 120.634 119.914 0.026 0.000 2.994 59 V HA 0.624 4.859 4.120 0.052 -0.083 0.318 59 V C -1.294 174.802 176.094 0.003 0.000 1.085 59 V CA -3.527 58.796 62.300 0.038 0.000 0.998 59 V CB 2.826 34.685 31.823 0.061 0.000 1.063 59 V HN 0.453 8.655 8.190 0.021 0.000 0.447 60 N N 1.561 120.265 118.700 0.005 0.000 2.455 60 N HA 0.245 4.892 4.740 -0.154 0.000 0.280 60 N C -0.880 174.523 175.510 -0.178 0.000 1.055 60 N CA -1.093 51.889 53.050 -0.113 0.000 0.961 60 N CB 1.019 39.470 38.487 -0.060 0.000 1.121 60 N HN 0.011 8.422 8.380 0.052 0.000 0.476 61 V N 3.044 122.764 119.914 -0.324 0.000 2.495 61 V HA 0.558 4.817 4.120 -0.062 -0.177 0.298 61 V C -1.422 174.425 176.094 -0.412 0.000 1.031 61 V CA -1.064 61.110 62.300 -0.211 0.000 0.871 61 V CB 2.379 34.149 31.823 -0.089 0.000 0.988 61 V HN 0.241 8.114 8.190 -0.350 0.107 0.432 62 Y N 4.905 125.221 120.300 0.027 0.000 2.350 62 Y HA 0.265 4.826 4.550 0.017 0.000 0.338 62 Y C -1.450 174.461 175.900 0.018 0.000 0.961 62 Y CA -1.548 56.564 58.100 0.020 0.000 1.100 62 Y CB 2.930 41.401 38.460 0.020 0.000 1.179 62 Y HN 0.710 9.104 8.280 0.189 0.000 0.454 63 N N 4.134 122.918 118.700 0.140 0.000 2.439 63 N HA 0.249 5.038 4.740 0.082 0.000 0.249 63 N C -1.323 174.242 175.510 0.091 0.000 1.003 63 N CA -0.899 52.204 53.050 0.089 0.000 0.942 63 N CB 1.176 39.692 38.487 0.049 0.000 1.115 63 N HN 0.162 8.611 8.380 0.116 0.000 0.505 64 R N 5.486 126.030 120.500 0.074 0.000 2.460 64 R HA 0.736 5.300 4.340 0.048 -0.195 0.303 64 R C -0.787 175.528 176.300 0.026 0.000 0.968 64 R CA -1.557 54.571 56.100 0.047 0.000 0.889 64 R CB 3.189 33.509 30.300 0.034 0.000 1.123 64 R HN 0.497 8.810 8.270 0.072 0.000 0.455 65 G N 0.607 109.415 108.800 0.013 0.000 2.513 65 G HA2 0.608 4.709 3.960 0.005 0.000 0.317 65 G HA3 0.608 4.570 3.960 0.003 0.000 0.317 65 G C -1.997 172.896 174.900 -0.011 0.000 1.277 65 G CA -1.419 43.683 45.100 0.003 0.000 0.955 65 G HN 0.290 8.588 8.290 0.012 0.000 0.484 66 L N 2.650 123.865 121.223 -0.013 0.000 2.513 66 L HA -0.339 4.106 4.340 -0.035 -0.126 0.272 66 L C -0.261 176.587 176.870 -0.038 0.000 1.187 66 L CA 0.439 55.263 54.840 -0.027 0.000 0.895 66 L CB -0.086 41.962 42.059 -0.018 0.000 1.147 66 L HN -0.012 8.505 8.230 -0.008 -0.291 0.483 67 N N 4.408 123.067 118.700 -0.067 0.000 2.508 67 N HA 0.038 4.747 4.740 -0.052 0.000 0.253 67 N C 0.793 176.262 175.510 -0.068 0.000 1.145 67 N CA -0.910 52.095 53.050 -0.075 0.000 0.973 67 N CB -0.355 38.062 38.487 -0.117 0.000 1.305 67 N HN -0.093 8.235 8.380 -0.087 0.000 0.506 68 T N 2.503 117.035 114.554 -0.037 0.000 2.833 68 T HA -0.037 4.575 4.350 -0.021 -0.274 0.269 68 T C 1.036 175.725 174.700 -0.017 0.000 1.054 68 T CA 2.038 64.125 62.100 -0.022 0.000 1.135 68 T CB -0.053 68.808 68.868 -0.011 0.000 0.869 68 T HN -0.314 7.909 8.240 -0.030 0.000 0.466 69 N N -0.277 118.411 118.700 -0.020 0.000 2.370 69 N HA 0.094 4.832 4.740 -0.002 0.000 0.198 69 N C -0.975 174.529 175.510 -0.010 0.000 1.156 69 N CA 0.590 53.634 53.050 -0.010 0.000 0.839 69 N CB 0.081 38.564 38.487 -0.006 0.000 0.989 69 N HN -0.399 8.070 8.380 -0.025 -0.105 0.468 70 S N -0.756 114.925 115.700 -0.033 0.000 4.383 70 S HA 0.367 4.853 4.470 0.027 0.000 0.216 70 S C -0.343 174.264 174.600 0.012 0.000 1.122 70 S CA -0.785 57.400 58.200 -0.026 0.000 1.745 70 S CB 1.148 64.265 63.200 -0.138 0.000 1.094 70 S HN -0.403 7.800 8.310 -0.051 0.077 0.754 71 H N -0.359 118.713 119.070 0.003 0.000 2.507 71 H HA 0.263 4.820 4.556 0.002 0.000 0.294 71 H C -0.084 175.245 175.328 0.002 0.000 1.064 71 H CA -0.802 55.247 56.048 0.002 0.000 1.138 71 H CB 0.230 29.993 29.762 0.001 0.000 1.515 71 H HN -0.147 8.005 8.280 -0.495 -0.168 0.547 72 N N -2.360 116.279 118.700 -0.102 0.000 2.829 72 N HA -0.340 4.477 4.740 -0.067 -0.117 0.250 72 N C -0.837 174.627 175.510 -0.076 0.000 1.090 72 N CA 1.511 54.524 53.050 -0.062 0.000 0.781 72 N CB -1.547 36.941 38.487 0.001 0.000 1.124 72 N HN -0.119 8.109 8.380 -0.147 0.064 0.559 73 Q N -2.184 117.499 119.800 -0.196 0.000 2.340 73 Q HA 0.084 4.404 4.340 -0.034 0.000 0.249 73 Q C -1.074 174.870 176.000 -0.094 0.000 0.957 73 Q CA -0.499 55.230 55.803 -0.125 0.000 0.882 73 Q CB 0.794 29.416 28.738 -0.193 0.000 1.235 73 Q HN -0.184 7.821 8.270 -0.385 0.034 0.439 74 L N 3.309 124.506 121.223 -0.043 0.000 2.397 74 L HA 0.080 4.559 4.340 -0.031 -0.157 0.271 74 L C -0.176 176.674 176.870 -0.033 0.000 1.148 74 L CA 0.595 55.416 54.840 -0.031 0.000 0.825 74 L CB 0.246 42.297 42.059 -0.014 0.000 1.117 74 L HN 0.325 8.540 8.230 -0.025 0.000 0.456 75 E N 1.956 122.141 120.200 -0.024 0.000 2.390 75 E HA 0.253 4.593 4.350 -0.017 0.000 0.277 75 E C -2.170 174.436 176.600 0.009 0.000 0.939 75 E CA -1.720 54.671 56.400 -0.015 0.000 0.769 75 E CB 3.980 33.667 29.700 -0.022 0.000 1.251 75 E HN -0.274 8.075 8.360 -0.018 0.000 0.450 76 I N 2.578 123.163 120.570 0.025 0.000 2.664 76 I HA -0.197 4.169 4.170 0.084 -0.146 0.284 76 I C 0.542 176.692 176.117 0.055 0.000 1.154 76 I CA 1.482 62.823 61.300 0.068 0.000 1.402 76 I CB -0.493 37.574 38.000 0.112 0.000 1.395 76 I HN 0.384 8.603 8.210 0.016 0.000 0.545 77 R N 7.797 128.327 120.500 0.050 0.000 2.128 77 R HA 0.173 4.528 4.340 0.025 0.000 0.211 77 R C -0.022 176.295 176.300 0.029 0.000 1.067 77 R CA 0.393 56.512 56.100 0.032 0.000 1.010 77 R CB 1.124 31.437 30.300 0.023 0.000 0.922 77 R HN 0.642 8.946 8.270 0.057 0.000 0.457 78 T N -1.660 112.916 114.554 0.038 0.000 2.769 78 T HA 0.189 4.542 4.350 0.005 0.000 0.306 78 T C -2.785 171.925 174.700 0.017 0.000 1.400 78 T CA -1.156 60.952 62.100 0.013 0.000 1.007 78 T CB 0.803 69.666 68.868 -0.009 0.000 1.392 78 T HN -0.772 7.501 8.240 0.053 0.000 0.500 79 L N -1.666 119.536 121.223 -0.034 0.000 2.479 79 L HA 0.950 5.315 4.340 -0.119 -0.097 0.255 79 L C -1.746 175.043 176.870 -0.136 0.000 1.026 79 L CA -1.488 53.286 54.840 -0.111 0.000 0.842 79 L CB 4.305 46.277 42.059 -0.146 0.000 1.444 79 L HN -0.015 8.185 8.230 -0.050 0.000 0.409 80 G N -1.636 107.048 108.800 -0.194 0.000 2.677 80 G HA2 0.478 4.415 3.960 -0.119 0.000 0.283 80 G HA3 0.478 4.460 3.960 -0.093 -0.078 0.283 80 G C -2.091 172.713 174.900 -0.159 0.000 1.221 80 G CA 0.750 45.769 45.100 -0.135 0.000 0.851 80 G HN 0.242 8.364 8.290 -0.280 0.000 0.504 81 S N -0.953 114.692 115.700 -0.091 0.000 2.740 81 S HA 1.008 5.550 4.470 -0.095 -0.129 0.300 81 S C -1.222 173.358 174.600 -0.033 0.000 1.147 81 S CA -1.731 56.427 58.200 -0.070 0.000 0.871 81 S CB 3.991 67.163 63.200 -0.046 0.000 1.173 81 S HN 0.458 8.730 8.310 -0.063 0.000 0.510 82 G N -2.142 106.651 108.800 -0.013 0.000 2.660 82 G HA2 0.791 5.037 3.960 0.013 0.000 0.290 82 G HA3 0.791 4.758 3.960 0.012 0.000 0.290 82 G C -3.186 171.724 174.900 0.018 0.000 1.432 82 G CA -0.020 45.085 45.100 0.009 0.000 0.807 82 G HN -0.104 8.178 8.290 -0.013 0.000 0.485 83 V N 0.103 120.033 119.914 0.027 0.000 2.483 83 V HA 0.428 4.704 4.120 0.024 -0.142 0.297 83 V C -0.909 175.205 176.094 0.033 0.000 1.027 83 V CA -1.461 60.856 62.300 0.028 0.000 0.855 83 V CB 3.330 35.172 31.823 0.031 0.000 0.995 83 V HN 0.246 8.455 8.190 0.032 0.000 0.424 84 I N 7.890 128.476 120.570 0.028 0.000 2.505 84 I HA -0.148 4.160 4.170 0.029 -0.120 0.287 84 I C -0.160 175.977 176.117 0.034 0.000 1.104 84 I CA 1.466 62.782 61.300 0.026 0.000 1.387 84 I CB -0.271 37.736 38.000 0.012 0.000 1.404 84 I HN 0.634 8.858 8.210 0.025 0.000 0.528 85 M N 7.625 127.258 119.600 0.055 0.000 2.534 85 M HA 0.062 4.568 4.480 0.043 0.000 0.263 85 M C -0.221 176.114 176.300 0.059 0.000 1.152 85 M CA -0.148 55.186 55.300 0.057 0.000 1.145 85 M CB 0.283 32.925 32.600 0.069 0.000 1.333 85 M HN 0.461 8.793 8.290 0.071 0.000 0.477 86 D N -4.052 116.394 120.400 0.077 0.000 2.599 86 D HA 0.270 4.939 4.640 0.047 0.000 0.252 86 D C -0.188 176.143 176.300 0.051 0.000 1.232 86 D CA -0.789 53.253 54.000 0.070 0.000 0.819 86 D CB 1.467 42.323 40.800 0.094 0.000 1.401 86 D HN -0.779 7.644 8.370 0.089 0.000 0.429 87 Q N -1.543 118.277 119.800 0.032 0.000 2.364 87 Q HA -0.276 4.059 4.340 -0.007 0.000 0.209 87 Q C 1.008 176.996 176.000 -0.019 0.000 0.977 87 Q CA 2.296 58.101 55.803 0.004 0.000 0.885 87 Q CB -0.341 28.401 28.738 0.007 0.000 0.941 87 Q HN 0.379 8.671 8.270 0.036 0.000 0.464 88 R N -1.945 118.560 120.500 0.009 0.000 2.189 88 R HA -0.268 4.041 4.340 -0.052 0.000 0.223 88 R C 0.299 176.480 176.300 -0.199 0.000 1.092 88 R CA 1.582 57.655 56.100 -0.044 0.000 0.989 88 R CB 0.666 31.012 30.300 0.075 0.000 0.876 88 R HN -0.423 8.066 8.270 0.059 -0.183 0.457 89 G N -4.584 104.108 108.800 -0.179 0.000 2.143 89 G HA2 -0.330 3.505 3.960 -0.209 0.000 0.175 89 G HA3 -0.330 3.591 3.960 -0.341 -0.166 0.175 89 G C -0.975 173.739 174.900 -0.310 0.000 1.004 89 G CA -0.547 44.391 45.100 -0.271 0.000 0.671 89 G HN -0.188 8.021 8.290 -0.079 0.034 0.512 90 Y N 0.802 121.073 120.300 -0.049 0.000 2.335 90 Y HA 0.328 5.050 4.550 -0.034 -0.193 0.331 90 Y C -0.895 174.991 175.900 -0.023 0.000 1.094 90 Y CA 0.971 59.052 58.100 -0.032 0.000 1.253 90 Y CB 0.951 39.400 38.460 -0.020 0.000 1.203 90 Y HN -1.078 7.222 8.280 0.033 0.000 0.508 91 I N 1.633 122.280 120.570 0.129 0.000 2.533 91 I HA 0.551 4.953 4.170 0.066 -0.192 0.290 91 I C -0.994 175.170 176.117 0.077 0.000 1.056 91 I CA -1.565 59.778 61.300 0.072 0.000 1.057 91 I CB 4.037 42.055 38.000 0.031 0.000 1.240 91 I HN 0.435 8.732 8.210 0.146 0.000 0.423 92 I N 6.792 127.399 120.570 0.063 0.000 2.396 92 I HA 0.587 4.954 4.170 0.057 -0.163 0.292 92 I C -0.700 175.444 176.117 0.044 0.000 0.999 92 I CA -0.580 60.753 61.300 0.055 0.000 1.310 92 I CB 1.666 39.699 38.000 0.054 0.000 1.404 92 I HN 0.211 8.456 8.210 0.059 0.000 0.496 93 T N 5.342 119.921 114.554 0.042 0.000 2.654 93 T HA 0.374 4.743 4.350 0.032 0.000 0.289 93 T C -2.052 172.674 174.700 0.043 0.000 1.062 93 T CA -2.707 59.413 62.100 0.034 0.000 1.041 93 T CB 1.440 70.323 68.868 0.024 0.000 1.417 93 T HN 0.453 8.719 8.240 0.043 0.000 0.510 94 N N 0.114 118.841 118.700 0.045 0.000 2.456 94 N HA 0.275 5.214 4.740 0.075 -0.154 0.288 94 N C 0.381 175.930 175.510 0.064 0.000 1.059 94 N CA -0.754 52.337 53.050 0.069 0.000 0.946 94 N CB 1.623 40.158 38.487 0.081 0.000 1.150 94 N HN 0.346 8.747 8.380 0.035 0.000 0.479 95 K N 5.163 125.601 120.400 0.063 0.000 2.057 95 K HA -0.363 3.953 4.320 -0.007 0.000 0.207 95 K C 1.686 178.265 176.600 -0.034 0.000 1.049 95 K CA 3.226 59.512 56.287 -0.002 0.000 0.931 95 K CB 0.154 32.626 32.500 -0.047 0.000 0.714 95 K HN -0.094 8.163 8.250 0.079 0.041 0.440 96 H N -2.435 116.639 119.070 0.006 0.000 2.421 96 H HA -0.220 4.335 4.556 -0.001 0.000 0.298 96 H C 1.904 177.226 175.328 -0.010 0.000 1.087 96 H CA 3.380 59.427 56.048 -0.001 0.000 1.330 96 H CB -0.130 29.631 29.762 -0.001 0.000 1.388 96 H HN -0.636 8.184 8.280 0.251 -0.389 0.526 97 V N -3.870 116.105 119.914 0.101 0.000 2.343 97 V HA -0.289 3.851 4.120 0.034 0.000 0.247 97 V C 1.014 177.122 176.094 0.023 0.000 1.051 97 V CA 2.640 64.965 62.300 0.040 0.000 1.036 97 V CB 0.411 32.242 31.823 0.014 0.000 0.654 97 V HN -0.615 7.626 8.190 0.108 0.014 0.451 98 I N -10.703 109.876 120.570 0.016 0.000 3.956 98 I HA 0.077 4.257 4.170 0.017 0.000 0.333 98 I C -0.628 175.487 176.117 -0.004 0.000 1.302 98 I CA -1.765 59.541 61.300 0.010 0.000 1.122 98 I CB -0.158 37.851 38.000 0.014 0.000 1.013 98 I HN -0.865 7.355 8.210 0.016 0.000 0.405 99 N N 3.607 122.294 118.700 -0.023 0.000 2.412 99 N HA -0.171 4.540 4.740 -0.048 0.000 0.258 99 N C -0.411 175.088 175.510 -0.018 0.000 1.236 99 N CA 1.712 54.737 53.050 -0.042 0.000 0.882 99 N CB -0.170 38.265 38.487 -0.085 0.000 1.066 99 N HN -0.588 7.778 8.380 -0.024 0.000 0.465 100 D N -4.288 116.102 120.400 -0.016 0.000 2.981 100 D HA -0.334 4.301 4.640 -0.008 0.000 0.223 100 D C -1.424 174.877 176.300 0.002 0.000 1.151 100 D CA 1.049 55.045 54.000 -0.007 0.000 0.827 100 D CB -1.576 39.221 40.800 -0.006 0.000 1.101 100 D HN 0.181 8.539 8.370 -0.021 0.000 0.426 101 A N -2.767 120.056 122.820 0.006 0.000 2.401 101 A HA -0.121 4.359 4.320 0.018 -0.149 0.259 101 A C -0.163 177.429 177.584 0.014 0.000 1.103 101 A CA -0.275 51.771 52.037 0.016 0.000 0.789 101 A CB 0.861 19.875 19.000 0.024 0.000 1.035 101 A HN -0.703 7.420 8.150 0.004 0.030 0.491 102 D N 2.149 122.558 120.400 0.015 0.000 2.271 102 D HA -0.017 4.629 4.640 0.011 0.000 0.206 102 D C 0.211 176.522 176.300 0.018 0.000 0.967 102 D CA 2.072 56.080 54.000 0.013 0.000 0.867 102 D CB 1.330 42.134 40.800 0.008 0.000 0.960 102 D HN 0.012 8.391 8.370 0.016 0.000 0.509 103 Q N -1.658 118.158 119.800 0.026 0.000 2.284 103 Q HA 0.279 4.639 4.340 0.032 0.000 0.269 103 Q C -2.501 173.530 176.000 0.051 0.000 1.026 103 Q CA -0.304 55.520 55.803 0.034 0.000 0.831 103 Q CB 3.623 32.378 28.738 0.029 0.000 1.322 103 Q HN -0.597 7.690 8.270 0.028 0.000 0.419 104 I N 6.922 127.527 120.570 0.058 0.000 2.339 104 I HA 0.644 5.055 4.170 0.088 -0.188 0.290 104 I C -1.411 174.767 176.117 0.102 0.000 0.994 104 I CA -1.150 60.197 61.300 0.078 0.000 1.191 104 I CB 1.718 39.754 38.000 0.060 0.000 1.343 104 I HN 0.598 8.839 8.210 0.052 0.000 0.458 105 I N 7.267 127.928 120.570 0.151 0.000 2.412 105 I HA 0.680 5.100 4.170 0.147 -0.162 0.296 105 I C -1.104 175.157 176.117 0.240 0.000 0.987 105 I CA -3.070 58.339 61.300 0.181 0.000 1.180 105 I CB 1.565 39.662 38.000 0.161 0.000 1.340 105 I HN 0.362 8.681 8.210 0.181 0.000 0.455 106 V N 6.186 126.234 119.914 0.223 0.000 2.487 106 V HA 0.562 4.974 4.120 0.189 -0.178 0.298 106 V C -2.136 174.104 176.094 0.243 0.000 1.028 106 V CA -1.881 60.549 62.300 0.218 0.000 0.860 106 V CB 3.239 35.176 31.823 0.189 0.000 0.991 106 V HN 0.603 8.924 8.190 0.219 0.000 0.427 107 A N 7.224 130.179 122.820 0.226 0.000 2.331 107 A HA 0.834 5.393 4.320 0.142 -0.153 0.320 107 A C -1.894 175.778 177.584 0.147 0.000 1.138 107 A CA -2.263 49.883 52.037 0.182 0.000 0.790 107 A CB 3.002 22.137 19.000 0.226 0.000 1.206 107 A HN 0.777 9.055 8.150 0.214 0.000 0.470 108 L N 2.010 123.313 121.223 0.132 0.000 2.416 108 L HA 0.207 4.613 4.340 0.110 0.000 0.262 108 L C 1.768 178.684 176.870 0.078 0.000 1.093 108 L CA -0.845 54.065 54.840 0.116 0.000 0.801 108 L CB 1.690 43.839 42.059 0.151 0.000 1.191 108 L HN 0.439 8.740 8.230 0.119 0.000 0.459 109 Q N 1.959 121.798 119.800 0.065 0.000 2.369 109 Q HA -0.265 4.105 4.340 0.050 0.000 0.206 109 Q C 0.445 176.469 176.000 0.041 0.000 0.963 109 Q CA 2.515 58.348 55.803 0.050 0.000 0.894 109 Q CB -0.574 28.189 28.738 0.043 0.000 0.965 109 Q HN 0.869 9.178 8.270 0.065 0.000 0.475 110 D N -4.835 115.591 120.400 0.045 0.000 2.349 110 D HA -0.059 4.598 4.640 0.029 0.000 0.224 110 D C 0.738 177.050 176.300 0.019 0.000 1.029 110 D CA -0.595 53.425 54.000 0.034 0.000 0.879 110 D CB -0.992 39.833 40.800 0.040 0.000 0.906 110 D HN -0.542 7.832 8.370 0.056 0.030 0.528 111 G N -0.185 108.625 108.800 0.016 0.000 2.194 111 G HA2 -0.450 3.508 3.960 -0.002 0.000 0.236 111 G HA3 -0.450 3.502 3.960 -0.013 0.000 0.236 111 G C -0.366 174.503 174.900 -0.051 0.000 0.987 111 G CA -0.178 44.916 45.100 -0.009 0.000 0.635 111 G HN -0.445 7.698 8.290 0.028 0.164 0.520 112 R N 0.783 121.248 120.500 -0.059 0.000 2.543 112 R HA 0.004 4.190 4.340 -0.255 0.000 0.277 112 R C -1.312 174.826 176.300 -0.270 0.000 1.074 112 R CA 0.535 56.510 56.100 -0.209 0.000 1.076 112 R CB 1.154 31.357 30.300 -0.161 0.000 0.993 112 R HN -0.368 8.121 8.270 -0.012 -0.226 0.459 113 V N 1.879 121.494 119.914 -0.499 0.000 2.638 113 V HA 0.780 4.994 4.120 -0.143 -0.180 0.306 113 V C -0.563 175.204 176.094 -0.544 0.000 1.052 113 V CA -1.499 60.606 62.300 -0.326 0.000 0.885 113 V CB 2.889 34.614 31.823 -0.164 0.000 0.999 113 V HN 0.044 7.867 8.190 -0.611 0.000 0.424 114 F N 5.730 125.694 119.950 0.024 0.000 2.588 114 F HA 0.420 4.951 4.527 0.007 0.000 0.314 114 F C -1.814 173.998 175.800 0.020 0.000 1.069 114 F CA -1.401 56.607 58.000 0.014 0.000 0.931 114 F CB 4.580 43.584 39.000 0.006 0.000 1.260 114 F HN 0.610 9.004 8.300 0.156 0.000 0.465 115 E N 1.543 121.868 120.200 0.209 0.000 2.259 115 E HA 0.381 4.947 4.350 0.119 -0.145 0.281 115 E C -1.084 175.585 176.600 0.115 0.000 1.027 115 E CA -0.945 55.533 56.400 0.129 0.000 0.838 115 E CB 1.772 31.519 29.700 0.080 0.000 1.066 115 E HN 0.268 8.750 8.360 0.203 0.000 0.401 116 A N 5.769 128.639 122.820 0.083 0.000 2.325 116 A HA 0.601 5.050 4.320 0.017 -0.119 0.333 116 A C -1.596 176.003 177.584 0.025 0.000 1.155 116 A CA -1.701 50.360 52.037 0.040 0.000 0.814 116 A CB 2.779 21.803 19.000 0.039 0.000 1.206 116 A HN 0.495 8.696 8.150 0.085 0.000 0.482 117 L N 0.015 121.240 121.223 0.003 0.000 2.343 117 L HA 0.293 4.642 4.340 0.015 0.000 0.275 117 L C -0.642 176.238 176.870 0.018 0.000 1.056 117 L CA -1.156 53.689 54.840 0.009 0.000 0.804 117 L CB 2.194 44.252 42.059 -0.002 0.000 1.203 117 L HN -0.153 8.067 8.230 -0.017 0.000 0.440 118 L N 3.139 124.376 121.223 0.023 0.000 2.278 118 L HA 0.058 4.418 4.340 0.033 0.000 0.287 118 L C -0.330 176.562 176.870 0.038 0.000 1.072 118 L CA 0.233 55.090 54.840 0.029 0.000 0.819 118 L CB 0.061 42.132 42.059 0.020 0.000 1.176 118 L HN 0.187 8.429 8.230 0.021 0.000 0.435 119 V N 6.530 126.478 119.914 0.058 0.000 2.446 119 V HA 0.026 4.190 4.120 0.073 0.000 0.244 119 V C -0.476 175.643 176.094 0.043 0.000 1.039 119 V CA 1.761 64.106 62.300 0.075 0.000 1.045 119 V CB 0.691 32.599 31.823 0.142 0.000 0.681 119 V HN 0.673 8.902 8.190 0.064 0.000 0.459 120 G N -5.627 103.193 108.800 0.032 0.000 2.328 120 G HA2 0.051 4.016 3.960 0.009 0.000 0.295 120 G HA3 0.051 4.016 3.960 0.009 0.000 0.295 120 G C -3.366 171.539 174.900 0.008 0.000 1.413 120 G CA 0.134 45.242 45.100 0.013 0.000 0.817 120 G HN -0.781 7.532 8.290 0.038 0.000 0.546 121 S N -1.758 113.940 115.700 -0.003 0.000 2.607 121 S HA 0.614 5.199 4.470 -0.001 -0.115 0.273 121 S C -2.213 172.378 174.600 -0.014 0.000 1.148 121 S CA -1.216 56.979 58.200 -0.008 0.000 0.833 121 S CB 3.735 66.924 63.200 -0.018 0.000 1.130 121 S HN 0.142 8.448 8.310 -0.007 0.000 0.470 122 D N -0.312 120.080 120.400 -0.013 0.000 2.575 122 D HA 0.352 4.980 4.640 -0.020 0.000 0.250 122 D C 0.402 176.693 176.300 -0.014 0.000 1.279 122 D CA -1.336 52.654 54.000 -0.016 0.000 0.925 122 D CB 2.823 43.614 40.800 -0.015 0.000 1.261 122 D HN 0.077 8.442 8.370 -0.008 0.000 0.567 123 S N 6.685 122.372 115.700 -0.021 0.000 2.423 123 S HA -0.215 4.244 4.470 -0.018 0.000 0.231 123 S C 1.162 175.762 174.600 0.000 0.000 1.014 123 S CA 2.448 60.639 58.200 -0.016 0.000 0.965 123 S CB -0.289 62.895 63.200 -0.026 0.000 0.785 123 S HN 0.394 8.689 8.310 -0.025 0.000 0.495 124 L N -1.608 119.606 121.223 -0.015 0.000 2.201 124 L HA -0.123 4.201 4.340 -0.027 0.000 0.212 124 L C 0.770 177.618 176.870 -0.036 0.000 1.105 124 L CA 1.878 56.701 54.840 -0.029 0.000 0.775 124 L CB 0.029 42.064 42.059 -0.041 0.000 0.913 124 L HN -0.714 7.692 8.230 -0.020 -0.188 0.440 125 T N -10.403 104.140 114.554 -0.018 0.000 3.003 125 T HA 0.064 4.387 4.350 -0.044 0.000 0.261 125 T C -0.027 174.701 174.700 0.046 0.000 1.003 125 T CA -0.993 61.099 62.100 -0.013 0.000 0.917 125 T CB 1.961 70.817 68.868 -0.021 0.000 1.084 125 T HN -0.730 7.577 8.240 -0.011 -0.074 0.522 126 D N 1.390 121.827 120.400 0.061 0.000 2.837 126 D HA -0.270 4.428 4.640 0.096 0.000 0.230 126 D C -1.410 174.943 176.300 0.088 0.000 1.152 126 D CA 1.441 55.506 54.000 0.109 0.000 0.736 126 D CB -0.780 40.136 40.800 0.192 0.000 1.084 126 D HN -0.131 8.154 8.370 0.041 0.110 0.429 127 L N -3.048 118.205 121.223 0.050 0.000 2.334 127 L HA 0.530 5.037 4.340 0.055 -0.133 0.272 127 L C -1.962 174.924 176.870 0.027 0.000 1.020 127 L CA -1.032 53.834 54.840 0.043 0.000 0.812 127 L CB 2.931 45.010 42.059 0.033 0.000 1.264 127 L HN -0.836 7.395 8.230 0.034 0.019 0.439 128 A N 0.096 122.934 122.820 0.030 0.000 2.498 128 A HA 0.822 5.274 4.320 0.017 -0.122 0.298 128 A C -2.285 175.320 177.584 0.036 0.000 1.075 128 A CA -1.680 50.372 52.037 0.024 0.000 0.714 128 A CB 4.010 23.021 19.000 0.019 0.000 1.299 128 A HN 0.554 8.726 8.150 0.037 0.000 0.407 129 V N 0.554 120.494 119.914 0.043 0.000 2.540 129 V HA 0.868 5.229 4.120 0.073 -0.196 0.302 129 V C -1.127 175.018 176.094 0.086 0.000 1.035 129 V CA -1.856 60.487 62.300 0.072 0.000 0.873 129 V CB 2.561 34.429 31.823 0.075 0.000 0.992 129 V HN 0.149 8.361 8.190 0.037 0.000 0.428 130 L N 5.212 126.488 121.223 0.088 0.000 2.313 130 L HA 0.908 5.443 4.340 0.053 -0.164 0.268 130 L C -1.414 175.479 176.870 0.038 0.000 1.010 130 L CA -2.139 52.735 54.840 0.057 0.000 0.814 130 L CB 3.251 45.329 42.059 0.031 0.000 1.304 130 L HN 0.779 9.063 8.230 0.089 0.000 0.441 131 K N 0.624 120.995 120.400 -0.047 0.000 2.443 131 K HA 0.711 5.048 4.320 -0.314 -0.204 0.252 131 K C -1.396 175.084 176.600 -0.199 0.000 0.933 131 K CA -1.377 54.777 56.287 -0.222 0.000 0.792 131 K CB 3.480 35.803 32.500 -0.294 0.000 1.185 131 K HN 0.117 8.349 8.250 -0.030 0.000 0.425 132 I N 0.269 120.672 120.570 -0.278 0.000 2.648 132 I HA 0.438 4.485 4.170 -0.204 0.000 0.304 132 I C -2.371 173.534 176.117 -0.353 0.000 1.009 132 I CA -2.050 59.068 61.300 -0.304 0.000 1.114 132 I CB 2.821 40.544 38.000 -0.461 0.000 1.293 132 I HN 0.224 8.239 8.210 -0.326 0.000 0.449 133 N N 3.447 121.972 118.700 -0.292 0.000 2.564 133 N HA 0.216 4.824 4.740 -0.220 0.000 0.248 133 N C -1.550 173.841 175.510 -0.199 0.000 0.986 133 N CA -0.989 51.937 53.050 -0.206 0.000 0.921 133 N CB 0.333 38.765 38.487 -0.091 0.000 1.136 133 N HN 0.267 8.507 8.380 -0.234 0.000 0.509 134 A N 4.359 127.035 122.820 -0.239 0.000 2.374 134 A HA 0.434 4.795 4.320 0.068 0.000 0.317 134 A C -0.043 177.537 177.584 -0.006 0.000 1.094 134 A CA -0.966 51.001 52.037 -0.117 0.000 0.765 134 A CB 2.070 20.883 19.000 -0.311 0.000 1.268 134 A HN 0.023 8.029 8.150 -0.240 0.000 0.438 135 T N -0.059 114.542 114.554 0.078 0.000 2.852 135 T HA -0.102 4.265 4.350 0.029 0.000 0.256 135 T C 0.845 175.571 174.700 0.043 0.000 1.038 135 T CA 0.407 62.538 62.100 0.051 0.000 1.141 135 T CB 0.228 69.133 68.868 0.062 0.000 0.869 135 T HN 0.026 8.355 8.240 0.147 0.000 0.439 136 G N 1.194 110.036 108.800 0.071 0.000 2.420 136 G HA2 0.099 4.085 3.960 0.042 0.000 0.284 136 G HA3 0.099 4.102 3.960 0.071 0.000 0.284 136 G C 0.028 174.954 174.900 0.043 0.000 1.177 136 G CA -0.752 44.383 45.100 0.058 0.000 0.841 136 G HN -0.566 7.789 8.290 0.109 0.000 0.527 137 G N 1.260 110.077 108.800 0.028 0.000 2.368 137 G HA2 -0.158 3.805 3.960 0.005 0.000 0.233 137 G HA3 -0.158 3.812 3.960 0.017 0.000 0.233 137 G C -0.882 174.030 174.900 0.021 0.000 1.267 137 G CA -0.204 44.906 45.100 0.017 0.000 0.873 137 G HN 0.210 8.516 8.290 0.027 0.000 0.539 138 L N 3.494 124.718 121.223 0.002 0.000 2.322 138 L HA 0.256 4.610 4.340 0.022 0.000 0.279 138 L C -1.593 175.283 176.870 0.010 0.000 1.036 138 L CA -2.563 52.278 54.840 0.002 0.000 0.807 138 L CB 1.198 43.231 42.059 -0.044 0.000 1.226 138 L HN 0.263 8.488 8.230 -0.008 0.000 0.433 139 P HA 0.135 4.566 4.420 0.018 0.000 0.275 139 P C -1.625 175.683 177.300 0.014 0.000 1.228 139 P CA -0.497 62.615 63.100 0.020 0.000 0.786 139 P CB 0.379 32.096 31.700 0.027 0.000 0.927 140 T N -3.163 111.398 114.554 0.012 0.000 2.908 140 T HA 0.134 4.620 4.350 0.013 -0.128 0.290 140 T C -0.144 174.559 174.700 0.005 0.000 1.034 140 T CA -2.510 59.596 62.100 0.011 0.000 1.010 140 T CB 3.272 72.147 68.868 0.012 0.000 1.068 140 T HN -0.336 7.911 8.240 0.011 0.000 0.481 141 I N 2.049 122.621 120.570 0.004 0.000 2.529 141 I HA 0.162 4.326 4.170 -0.009 0.000 0.284 141 I C -2.042 174.060 176.117 -0.025 0.000 1.082 141 I CA -2.842 58.452 61.300 -0.010 0.000 1.406 141 I CB 1.451 39.446 38.000 -0.008 0.000 1.405 141 I HN -0.217 7.999 8.210 0.009 0.000 0.548 142 P HA 0.100 4.494 4.420 -0.042 0.000 0.271 142 P C -1.852 175.386 177.300 -0.103 0.000 1.220 142 P CA -0.221 62.846 63.100 -0.056 0.000 0.768 142 P CB 0.458 32.127 31.700 -0.053 0.000 0.848 143 I N 2.650 123.159 120.570 -0.102 0.000 2.447 143 I HA 0.160 4.161 4.170 -0.283 0.000 0.287 143 I C -1.304 174.729 176.117 -0.139 0.000 1.023 143 I CA -0.492 60.707 61.300 -0.169 0.000 1.083 143 I CB 3.331 41.281 38.000 -0.084 0.000 1.245 143 I HN 0.012 8.181 8.210 -0.069 0.000 0.434 144 N N 7.402 125.968 118.700 -0.224 0.000 2.558 144 N HA 0.129 4.839 4.740 -0.050 0.000 0.242 144 N C 0.050 175.546 175.510 -0.023 0.000 0.979 144 N CA -1.447 51.540 53.050 -0.106 0.000 0.931 144 N CB 0.385 38.814 38.487 -0.096 0.000 1.122 144 N HN 0.247 8.402 8.380 -0.374 0.000 0.508 145 A N 5.415 128.294 122.820 0.099 0.000 2.172 145 A HA -0.177 4.442 4.320 0.498 0.000 0.216 145 A C 0.457 178.165 177.584 0.207 0.000 1.154 145 A CA 1.752 53.942 52.037 0.255 0.000 0.701 145 A CB -0.052 19.046 19.000 0.162 0.000 0.789 145 A HN 0.635 8.825 8.150 0.068 0.000 0.465 146 R N -3.329 117.244 120.500 0.122 0.000 2.334 146 R HA 0.040 4.433 4.340 0.088 0.000 0.216 146 R C -0.334 176.023 176.300 0.094 0.000 0.905 146 R CA -0.209 55.945 56.100 0.090 0.000 1.064 146 R CB 0.152 30.485 30.300 0.054 0.000 1.046 146 R HN -0.637 7.896 8.270 0.088 -0.210 0.508 147 R N 1.316 121.888 120.500 0.119 0.000 2.298 147 R HA -0.049 4.324 4.340 0.055 0.000 0.310 147 R C -0.958 175.416 176.300 0.123 0.000 1.068 147 R CA -0.225 55.925 56.100 0.083 0.000 0.957 147 R CB 0.294 30.600 30.300 0.010 0.000 1.003 147 R HN -0.649 7.656 8.270 0.140 0.048 0.454 148 V N 8.246 128.158 119.914 -0.003 0.000 2.350 148 V HA 0.190 4.289 4.120 -0.034 0.000 0.276 148 V C -1.759 174.137 176.094 -0.330 0.000 1.028 148 V CA -3.082 59.142 62.300 -0.128 0.000 0.860 148 V CB 1.225 32.935 31.823 -0.189 0.000 0.990 148 V HN 0.110 8.289 8.190 -0.019 0.000 0.453 149 P HA -0.006 4.352 4.420 -0.103 0.000 0.271 149 P C -1.608 175.518 177.300 -0.289 0.000 1.216 149 P CA -0.316 62.697 63.100 -0.146 0.000 0.771 149 P CB 0.642 32.348 31.700 0.009 0.000 0.864 150 H N 2.367 121.465 119.070 0.046 0.000 2.569 150 H HA 0.252 4.829 4.556 0.035 0.000 0.357 150 H C -0.113 175.231 175.328 0.028 0.000 1.153 150 H CA -1.428 54.641 56.048 0.034 0.000 1.193 150 H CB 3.995 33.775 29.762 0.029 0.000 1.602 150 H HN 0.138 8.740 8.280 0.015 -0.313 0.523 151 I N 2.399 123.066 120.570 0.162 0.000 2.741 151 I HA -0.646 3.683 4.170 0.073 -0.115 0.288 151 I C 1.223 177.387 176.117 0.078 0.000 1.192 151 I CA 2.361 63.715 61.300 0.091 0.000 1.426 151 I CB -0.716 37.327 38.000 0.072 0.000 1.367 151 I HN 0.601 8.916 8.210 0.175 0.000 0.563 152 G N 6.836 115.667 108.800 0.051 0.000 2.213 152 G HA2 -0.393 3.582 3.960 0.025 0.000 0.226 152 G HA3 -0.393 3.590 3.960 0.039 0.000 0.226 152 G C -0.430 174.493 174.900 0.038 0.000 0.992 152 G CA -0.563 44.559 45.100 0.038 0.000 0.632 152 G HN 0.572 8.887 8.290 0.041 0.000 0.511 153 D N 2.469 122.901 120.400 0.054 0.000 2.455 153 D HA -0.058 4.613 4.640 0.050 0.000 0.241 153 D C -0.075 176.223 176.300 -0.005 0.000 1.138 153 D CA 1.413 55.438 54.000 0.042 0.000 0.877 153 D CB 0.553 41.386 40.800 0.054 0.000 1.187 153 D HN -0.346 8.008 8.370 0.073 0.059 0.451 154 V N 2.314 122.212 119.914 -0.028 0.000 2.637 154 V HA 0.011 4.220 4.120 -0.107 -0.153 0.296 154 V C -0.101 175.903 176.094 -0.150 0.000 1.046 154 V CA 0.941 63.173 62.300 -0.114 0.000 1.066 154 V CB 0.250 31.968 31.823 -0.174 0.000 0.968 154 V HN 0.177 8.364 8.190 -0.005 0.000 0.483 155 V N 0.090 119.902 119.914 -0.170 0.000 2.962 155 V HA 0.992 5.190 4.120 -0.143 -0.163 0.313 155 V C -1.612 174.376 176.094 -0.177 0.000 1.099 155 V CA -3.356 58.856 62.300 -0.146 0.000 0.971 155 V CB 4.005 35.780 31.823 -0.080 0.000 1.028 155 V HN 0.126 8.108 8.190 -0.167 0.107 0.430 156 L N 0.409 121.548 121.223 -0.140 0.000 2.341 156 L HA 0.868 5.338 4.340 -0.119 -0.202 0.278 156 L C -1.061 175.771 176.870 -0.064 0.000 1.005 156 L CA -2.092 52.683 54.840 -0.110 0.000 0.818 156 L CB 2.884 44.887 42.059 -0.093 0.000 1.259 156 L HN 0.442 8.602 8.230 -0.117 0.000 0.418 157 A N 3.350 126.139 122.820 -0.051 0.000 2.290 157 A HA 0.841 5.317 4.320 -0.030 -0.174 0.310 157 A C -1.368 176.202 177.584 -0.022 0.000 1.202 157 A CA -1.872 50.145 52.037 -0.034 0.000 0.837 157 A CB 2.143 21.121 19.000 -0.037 0.000 1.139 157 A HN 0.610 8.727 8.150 -0.055 0.000 0.509 158 I N 2.695 123.256 120.570 -0.015 0.000 2.447 158 I HA 0.733 5.086 4.170 -0.005 -0.186 0.287 158 I C -0.761 175.351 176.117 -0.008 0.000 1.023 158 I CA -1.384 59.912 61.300 -0.007 0.000 1.083 158 I CB 2.119 40.117 38.000 -0.003 0.000 1.245 158 I HN 0.248 8.450 8.210 -0.014 0.000 0.434 159 G N 5.056 113.851 108.800 -0.009 0.000 2.490 159 G HA2 0.266 4.214 3.960 -0.021 0.000 0.308 159 G HA3 0.266 4.211 3.960 -0.026 0.000 0.308 159 G C -3.304 171.585 174.900 -0.018 0.000 1.286 159 G CA 0.565 45.654 45.100 -0.019 0.000 0.825 159 G HN -0.175 8.112 8.290 -0.005 0.000 0.479 160 N N 0.313 118.990 118.700 -0.039 0.000 2.818 160 N HA 0.661 5.400 4.740 -0.001 0.000 0.301 160 N C -2.000 173.491 175.510 -0.032 0.000 1.821 160 N CA -3.833 49.199 53.050 -0.029 0.000 0.930 160 N CB 1.590 40.038 38.487 -0.066 0.000 1.263 160 N HN -0.219 8.128 8.380 -0.056 0.000 0.487 161 P HA 0.002 4.527 4.420 -0.176 -0.210 0.264 161 P C 0.223 177.558 177.300 0.059 0.000 1.193 161 P CA 0.450 63.512 63.100 -0.062 0.000 0.763 161 P CB -0.113 31.595 31.700 0.012 0.000 0.810 162 Y N 0.561 120.891 120.300 0.052 0.000 4.236 162 Y HA -0.534 4.060 4.550 0.074 0.000 0.220 162 Y C -0.887 175.049 175.900 0.060 0.000 1.115 162 Y CA 1.518 59.654 58.100 0.059 0.000 1.811 162 Y CB -2.092 36.395 38.460 0.046 0.000 1.581 162 Y HN 0.387 8.416 8.280 -0.419 0.000 0.643 163 N N -3.271 115.514 118.700 0.142 0.000 2.725 163 N HA -0.353 4.592 4.740 0.124 -0.130 0.249 163 N C 0.170 175.766 175.510 0.143 0.000 1.103 163 N CA 1.176 54.316 53.050 0.150 0.000 0.707 163 N CB -0.850 37.756 38.487 0.199 0.000 1.043 163 N HN -0.379 8.008 8.380 0.076 0.038 0.553 164 L N -2.208 119.094 121.223 0.131 0.000 2.492 164 L HA -0.078 4.321 4.340 0.097 0.000 0.223 164 L C 0.846 177.766 176.870 0.082 0.000 1.132 164 L CA 1.012 55.914 54.840 0.103 0.000 0.850 164 L CB 0.317 42.438 42.059 0.103 0.000 0.966 164 L HN -0.496 7.796 8.230 0.137 0.020 0.454 165 G N -2.935 105.915 108.800 0.084 0.000 2.515 165 G HA2 -0.284 3.725 3.960 0.081 0.000 0.686 165 G HA3 -0.284 3.715 3.960 0.064 0.000 0.686 165 G C -2.295 172.636 174.900 0.052 0.000 1.274 165 G CA -0.912 44.230 45.100 0.070 0.000 0.874 165 G HN -0.512 8.056 8.290 0.089 -0.224 0.631 166 Q N 1.960 121.787 119.800 0.044 0.000 2.283 166 Q HA -0.139 4.417 4.340 0.023 -0.202 0.301 166 Q C -0.292 175.727 176.000 0.030 0.000 1.063 166 Q CA 1.449 57.270 55.803 0.031 0.000 0.952 166 Q CB 0.585 29.341 28.738 0.030 0.000 1.166 166 Q HN 0.347 8.646 8.270 0.048 0.000 0.381 167 T N 8.858 123.427 114.554 0.024 0.000 2.886 167 T HA 0.245 4.612 4.350 0.028 0.000 0.292 167 T C -1.908 172.801 174.700 0.016 0.000 1.012 167 T CA -0.808 61.307 62.100 0.025 0.000 0.982 167 T CB 2.111 70.998 68.868 0.031 0.000 1.018 167 T HN 0.472 8.723 8.240 0.018 0.000 0.451 168 I N 4.800 125.380 120.570 0.017 0.000 2.354 168 I HA 0.761 5.133 4.170 0.003 -0.201 0.292 168 I C 0.139 176.260 176.117 0.007 0.000 0.989 168 I CA -2.467 58.839 61.300 0.010 0.000 1.188 168 I CB 0.686 38.697 38.000 0.019 0.000 1.342 168 I HN 0.328 8.551 8.210 0.022 0.000 0.457 169 T N 4.563 119.112 114.554 -0.009 0.000 2.924 169 T HA 0.374 4.722 4.350 -0.003 0.000 0.291 169 T C -1.912 172.764 174.700 -0.040 0.000 1.045 169 T CA -2.092 59.999 62.100 -0.015 0.000 1.015 169 T CB 2.484 71.342 68.868 -0.017 0.000 1.103 169 T HN 0.271 8.501 8.240 -0.016 0.000 0.496 170 Q N 4.482 124.256 119.800 -0.044 0.000 2.353 170 Q HA 0.749 5.178 4.340 -0.128 -0.166 0.268 170 Q C -1.137 174.815 176.000 -0.080 0.000 1.045 170 Q CA -1.139 54.609 55.803 -0.091 0.000 0.811 170 Q CB 3.507 32.193 28.738 -0.087 0.000 1.305 170 Q HN 0.047 8.301 8.270 -0.027 0.000 0.447 171 G N 4.256 112.992 108.800 -0.106 0.000 2.772 171 G HA2 0.724 4.647 3.960 -0.062 0.000 0.284 171 G HA3 0.724 4.819 3.960 -0.072 -0.178 0.284 171 G C -2.536 172.312 174.900 -0.087 0.000 1.217 171 G CA 0.081 45.134 45.100 -0.079 0.000 0.831 171 G HN 0.486 8.695 8.290 -0.136 0.000 0.523 172 I N -6.022 114.511 120.570 -0.061 0.000 3.145 172 I HA 0.892 5.188 4.170 -0.056 -0.159 0.313 172 I C -0.843 175.252 176.117 -0.036 0.000 1.122 172 I CA -2.700 58.572 61.300 -0.046 0.000 0.987 172 I CB 4.443 42.430 38.000 -0.022 0.000 1.236 172 I HN 0.686 9.221 8.210 -0.055 -0.358 0.453 173 I N 1.440 122.001 120.570 -0.015 0.000 2.505 173 I HA 0.027 4.313 4.170 -0.009 -0.121 0.287 173 I C 0.514 176.634 176.117 0.006 0.000 1.104 173 I CA -0.784 60.516 61.300 0.001 0.000 1.387 173 I CB -2.344 35.671 38.000 0.026 0.000 1.404 173 I HN 0.197 8.401 8.210 -0.008 0.000 0.528 174 S N 9.595 125.290 115.700 -0.008 0.000 2.478 174 S HA 0.016 4.487 4.470 0.001 0.000 0.222 174 S C -1.045 173.569 174.600 0.023 0.000 1.008 174 S CA 1.239 59.437 58.200 -0.003 0.000 0.928 174 S CB 0.689 63.870 63.200 -0.033 0.000 0.781 174 S HN 0.726 8.914 8.310 -0.022 0.110 0.518 175 A N -2.317 120.526 122.820 0.039 0.000 2.599 175 A HA 0.340 4.695 4.320 0.059 0.000 0.294 175 A C -2.407 175.224 177.584 0.079 0.000 1.055 175 A CA 0.306 52.381 52.037 0.064 0.000 0.683 175 A CB 1.850 20.899 19.000 0.081 0.000 1.278 175 A HN -0.901 7.270 8.150 0.035 0.000 0.412 176 T N -3.699 110.901 114.554 0.077 0.000 3.132 176 T HA 0.074 4.473 4.350 0.082 0.000 0.274 176 T C -0.414 174.329 174.700 0.072 0.000 1.011 176 T CA -0.837 61.307 62.100 0.073 0.000 0.899 176 T CB 0.607 69.506 68.868 0.051 0.000 1.089 176 T HN 0.260 8.543 8.240 0.071 0.000 0.543 177 G N 0.146 108.999 108.800 0.087 0.000 2.361 177 G HA2 -0.084 4.050 3.960 0.086 0.000 0.305 177 G HA3 -0.084 3.925 3.960 0.040 -0.025 0.305 177 G C -2.006 172.929 174.900 0.060 0.000 1.367 177 G CA -0.170 44.971 45.100 0.068 0.000 0.951 177 G HN -0.626 7.723 8.290 0.099 0.000 0.615 178 R N -0.655 119.867 120.500 0.038 0.000 2.686 178 R HA 0.436 4.798 4.340 0.036 0.000 0.283 178 R C -0.721 175.583 176.300 0.008 0.000 0.978 178 R CA -2.245 53.872 56.100 0.030 0.000 0.897 178 R CB 2.173 32.494 30.300 0.035 0.000 1.192 178 R HN 0.157 8.328 8.270 0.022 0.113 0.457 179 I N 1.206 121.781 120.570 0.008 0.000 2.480 179 I HA -0.036 4.131 4.170 -0.005 0.000 0.251 179 I C 1.162 177.277 176.117 -0.005 0.000 1.124 179 I CA 0.333 61.633 61.300 -0.000 0.000 1.444 179 I CB -0.048 37.954 38.000 0.003 0.000 1.098 179 I HN 0.344 8.562 8.210 0.014 0.000 0.428 180 G N -1.114 107.686 108.800 -0.000 0.000 2.462 180 G HA2 0.122 4.078 3.960 -0.007 0.000 0.319 180 G HA3 0.122 4.082 3.960 0.000 0.000 0.319 180 G C -1.236 173.659 174.900 -0.008 0.000 1.171 180 G CA -1.185 43.913 45.100 -0.004 0.000 0.920 180 G HN -0.589 7.704 8.290 0.005 0.000 0.499 181 L N -0.836 120.380 121.223 -0.012 0.000 2.485 181 L HA -0.094 4.231 4.340 -0.025 0.000 0.275 181 L C -0.515 176.347 176.870 -0.014 0.000 1.207 181 L CA 0.724 55.553 54.840 -0.018 0.000 0.855 181 L CB -0.079 41.968 42.059 -0.019 0.000 1.114 181 L HN 0.182 8.405 8.230 -0.011 0.000 0.485 182 N N 2.370 121.057 118.700 -0.021 0.000 3.020 182 N HA 0.301 5.034 4.740 -0.011 0.000 0.248 182 N C -1.868 173.617 175.510 -0.042 0.000 1.480 182 N CA -0.975 52.064 53.050 -0.019 0.000 0.874 182 N CB -0.023 38.461 38.487 -0.005 0.000 1.433 182 N HN -0.352 8.010 8.380 -0.029 0.000 0.530 183 P HA -0.075 4.306 4.420 -0.065 0.000 0.225 183 P C -0.050 177.155 177.300 -0.158 0.000 1.148 183 P CA 1.873 64.921 63.100 -0.087 0.000 0.779 183 P CB 0.090 31.742 31.700 -0.080 0.000 0.780 184 T N -6.497 107.945 114.554 -0.187 0.000 3.055 184 T HA -0.123 4.012 4.350 -0.359 0.000 0.265 184 T C 1.313 175.951 174.700 -0.102 0.000 1.111 184 T CA 0.433 62.386 62.100 -0.245 0.000 1.118 184 T CB 0.353 69.061 68.868 -0.266 0.000 0.909 184 T HN -0.434 7.945 8.240 -0.147 -0.227 0.501 185 G N 1.472 110.223 108.800 -0.083 0.000 2.184 185 G HA2 -0.387 3.535 3.960 -0.063 0.000 0.264 185 G HA3 -0.387 3.532 3.960 -0.068 0.000 0.264 185 G C -0.483 174.361 174.900 -0.095 0.000 0.975 185 G CA 0.274 45.331 45.100 -0.072 0.000 0.642 185 G HN -0.279 7.816 8.290 -0.081 0.147 0.536 186 R N -2.270 118.163 120.500 -0.112 0.000 2.888 186 R HA 0.364 4.580 4.340 -0.206 0.000 0.266 186 R C -1.288 174.924 176.300 -0.147 0.000 1.020 186 R CA -2.485 53.485 56.100 -0.216 0.000 0.963 186 R CB 2.108 32.080 30.300 -0.547 0.000 1.197 186 R HN -0.457 7.707 8.270 -0.074 0.062 0.481 187 Q N -2.029 117.671 119.800 -0.166 0.000 2.280 187 Q HA 0.135 4.444 4.340 -0.051 0.000 0.228 187 Q C 0.069 176.022 176.000 -0.079 0.000 0.857 187 Q CA 0.861 56.611 55.803 -0.089 0.000 0.939 187 Q CB 1.206 29.898 28.738 -0.076 0.000 1.114 187 Q HN 0.467 8.611 8.270 -0.210 0.000 0.514 188 N N -1.255 117.355 118.700 -0.151 0.000 2.197 188 N HA 0.089 4.801 4.740 -0.047 0.000 0.228 188 N C -1.523 173.967 175.510 -0.034 0.000 1.212 188 N CA -0.596 52.394 53.050 -0.100 0.000 0.883 188 N CB 0.110 38.517 38.487 -0.135 0.000 1.107 188 N HN -0.105 8.121 8.380 -0.257 0.000 0.519 189 F N -0.123 119.829 119.950 0.003 0.000 2.563 189 F HA -0.146 4.523 4.527 0.049 -0.113 0.363 189 F C 0.175 176.030 175.800 0.092 0.000 1.123 189 F CA 0.893 58.926 58.000 0.056 0.000 1.307 189 F CB 0.332 39.381 39.000 0.081 0.000 1.115 189 F HN -0.625 7.670 8.300 -0.009 0.000 0.592 190 L N 1.391 122.818 121.223 0.340 0.000 2.397 190 L HA 0.045 4.632 4.340 0.167 -0.146 0.271 190 L C -0.620 176.366 176.870 0.193 0.000 1.148 190 L CA -0.401 54.562 54.840 0.204 0.000 0.825 190 L CB 0.565 42.708 42.059 0.139 0.000 1.117 190 L HN 0.108 8.551 8.230 0.355 0.000 0.456 191 Q N 3.244 123.105 119.800 0.101 0.000 2.342 191 Q HA 0.813 5.215 4.340 -0.193 -0.178 0.267 191 Q C -1.188 174.746 176.000 -0.109 0.000 1.038 191 Q CA -1.663 54.098 55.803 -0.070 0.000 0.832 191 Q CB 3.967 32.687 28.738 -0.029 0.000 1.323 191 Q HN 0.252 8.579 8.270 0.095 0.000 0.448 192 T N 3.757 118.189 114.554 -0.204 0.000 2.868 192 T HA 0.701 5.147 4.350 -0.095 -0.154 0.306 192 T C -1.663 172.944 174.700 -0.156 0.000 1.224 192 T CA -2.739 59.280 62.100 -0.135 0.000 1.012 192 T CB 1.571 70.380 68.868 -0.099 0.000 1.221 192 T HN 0.547 8.593 8.240 -0.324 0.000 0.499 193 D N 3.626 123.963 120.400 -0.105 0.000 2.368 193 D HA 0.194 4.826 4.640 -0.110 -0.058 0.218 193 D C -0.062 176.192 176.300 -0.078 0.000 1.112 193 D CA -1.664 52.281 54.000 -0.092 0.000 0.834 193 D CB -0.208 40.553 40.800 -0.065 0.000 0.953 193 D HN -0.074 8.245 8.370 -0.085 0.000 0.505 194 A N 1.287 124.059 122.820 -0.080 0.000 2.524 194 A HA -0.153 4.284 4.320 -0.061 -0.155 0.250 194 A C -0.627 176.918 177.584 -0.065 0.000 1.078 194 A CA 0.759 52.755 52.037 -0.068 0.000 0.761 194 A CB 0.360 19.318 19.000 -0.071 0.000 1.012 194 A HN -0.726 7.327 8.150 -0.086 0.045 0.500 195 S N 0.837 116.507 115.700 -0.049 0.000 2.546 195 S HA -0.104 4.335 4.470 -0.052 0.000 0.290 195 S C -0.788 173.786 174.600 -0.043 0.000 1.262 195 S CA 0.481 58.655 58.200 -0.043 0.000 1.083 195 S CB 0.346 63.531 63.200 -0.025 0.000 0.859 195 S HN -0.026 8.259 8.310 -0.042 0.000 0.495 196 I N 4.656 125.194 120.570 -0.052 0.000 2.474 196 I HA 0.107 4.369 4.170 -0.046 -0.119 0.294 196 I C -1.410 174.670 176.117 -0.061 0.000 1.005 196 I CA -1.266 60.003 61.300 -0.052 0.000 1.113 196 I CB 1.409 39.377 38.000 -0.054 0.000 1.289 196 I HN 0.029 8.203 8.210 -0.059 0.000 0.436 197 N N 3.512 122.162 118.700 -0.082 0.000 2.571 197 N HA 0.283 4.918 4.740 -0.177 0.000 0.273 197 N C -1.463 173.925 175.510 -0.204 0.000 1.340 197 N CA -1.399 51.550 53.050 -0.168 0.000 0.789 197 N CB 4.313 42.713 38.487 -0.145 0.000 1.514 197 N HN 0.026 8.646 8.380 -0.076 -0.285 0.499 198 H N 0.789 119.618 119.070 -0.402 0.000 3.167 198 H HA -0.338 4.071 4.556 -0.244 0.000 0.306 198 H C 0.748 175.812 175.328 -0.440 0.000 0.965 198 H CA 2.575 58.380 56.048 -0.405 0.000 1.408 198 H CB 0.230 29.717 29.762 -0.459 0.000 1.406 198 H HN 0.473 8.422 8.280 -0.551 0.000 0.576 199 G N 3.615 112.339 108.800 -0.125 0.000 2.278 199 G HA2 -0.484 3.544 3.960 -0.125 0.000 0.210 199 G HA3 -0.484 3.531 3.960 -0.156 -0.149 0.210 199 G C 0.163 175.005 174.900 -0.097 0.000 1.000 199 G CA 0.551 45.572 45.100 -0.132 0.000 0.635 199 G HN 0.689 8.932 8.290 -0.079 0.000 0.495 200 N N 0.724 119.378 118.700 -0.077 0.000 2.416 200 N HA -0.080 4.631 4.740 -0.048 0.000 0.177 200 N C 0.021 175.513 175.510 -0.030 0.000 1.036 200 N CA 1.528 54.548 53.050 -0.049 0.000 0.901 200 N CB 0.932 39.393 38.487 -0.042 0.000 0.976 200 N HN 0.012 8.284 8.380 -0.083 0.057 0.444 201 S N -1.623 114.063 115.700 -0.024 0.000 2.546 201 S HA -0.449 4.153 4.470 0.011 -0.126 0.290 201 S C 0.618 175.218 174.600 0.000 0.000 1.290 201 S CA 2.861 61.061 58.200 -0.001 0.000 1.069 201 S CB 0.120 63.324 63.200 0.006 0.000 0.846 201 S HN -0.457 7.835 8.310 -0.030 0.000 0.495 202 G N 4.780 113.592 108.800 0.021 0.000 2.195 202 G HA2 -0.426 3.557 3.960 0.039 0.000 0.246 202 G HA3 -0.426 3.691 3.960 0.016 -0.147 0.246 202 G C -0.349 174.561 174.900 0.018 0.000 0.984 202 G CA 0.088 45.203 45.100 0.024 0.000 0.633 202 G HN 0.713 9.089 8.290 0.032 -0.066 0.525 203 G N 0.356 109.161 108.800 0.007 0.000 2.563 203 G HA2 0.402 4.365 3.960 0.004 0.000 0.283 203 G HA3 0.402 4.497 3.960 -0.004 -0.137 0.283 203 G C -2.384 172.525 174.900 0.015 0.000 1.309 203 G CA -1.543 43.559 45.100 0.004 0.000 1.022 203 G HN -0.438 7.785 8.290 0.003 0.068 0.501 204 A N -2.157 120.669 122.820 0.009 0.000 2.306 204 A HA 0.585 5.050 4.320 0.022 -0.131 0.314 204 A C -2.106 175.480 177.584 0.002 0.000 1.164 204 A CA -1.659 50.385 52.037 0.011 0.000 0.822 204 A CB 2.582 21.583 19.000 0.002 0.000 1.130 204 A HN -0.221 7.931 8.150 0.003 0.000 0.496 205 L N 4.227 125.455 121.223 0.009 0.000 2.305 205 L HA 0.834 5.345 4.340 -0.018 -0.182 0.284 205 L C -1.626 175.234 176.870 -0.017 0.000 1.013 205 L CA -1.195 53.642 54.840 -0.005 0.000 0.819 205 L CB 2.996 45.062 42.059 0.011 0.000 1.227 205 L HN 0.115 8.359 8.230 0.023 0.000 0.417 206 V N 1.227 121.118 119.914 -0.038 0.000 3.001 206 V HA 0.968 5.202 4.120 -0.063 -0.152 0.314 206 V C -1.518 174.537 176.094 -0.064 0.000 1.099 206 V CA -3.791 58.476 62.300 -0.055 0.000 0.989 206 V CB 3.773 35.565 31.823 -0.051 0.000 1.040 206 V HN 0.623 8.787 8.190 -0.044 0.000 0.434 207 N N 0.886 119.548 118.700 -0.064 0.000 2.431 207 N HA 0.451 5.312 4.740 -0.072 -0.165 0.289 207 N C 1.847 177.328 175.510 -0.048 0.000 1.277 207 N CA -1.558 51.457 53.050 -0.058 0.000 0.972 207 N CB 0.891 39.356 38.487 -0.037 0.000 1.143 207 N HN -0.108 8.229 8.380 -0.072 0.000 0.578 208 S N -1.107 114.581 115.700 -0.020 0.000 2.555 208 S HA -0.132 4.365 4.470 0.045 0.000 0.230 208 S C 0.652 175.295 174.600 0.071 0.000 0.978 208 S CA 2.074 60.308 58.200 0.057 0.000 0.934 208 S CB -0.820 62.477 63.200 0.160 0.000 0.766 208 S HN 0.369 8.671 8.310 -0.013 0.000 0.533 209 L N -2.312 118.926 121.223 0.025 0.000 2.607 209 L HA 0.201 4.558 4.340 0.029 0.000 0.228 209 L C 0.715 177.584 176.870 -0.003 0.000 1.123 209 L CA -0.155 54.694 54.840 0.015 0.000 0.890 209 L CB 0.094 42.153 42.059 -0.000 0.000 1.103 209 L HN -0.559 7.884 8.230 0.007 -0.210 0.468 210 G N -1.854 106.939 108.800 -0.012 0.000 2.176 210 G HA2 -0.477 3.470 3.960 -0.021 0.000 0.253 210 G HA3 -0.477 3.474 3.960 -0.015 0.000 0.253 210 G C -0.499 174.367 174.900 -0.057 0.000 0.979 210 G CA 0.046 45.131 45.100 -0.024 0.000 0.641 210 G HN -0.245 7.929 8.290 -0.012 0.109 0.530 211 E N 0.087 120.238 120.200 -0.082 0.000 2.316 211 E HA -0.152 4.254 4.350 -0.150 -0.145 0.275 211 E C -0.542 175.941 176.600 -0.195 0.000 1.029 211 E CA -0.426 55.884 56.400 -0.150 0.000 0.871 211 E CB 0.848 30.446 29.700 -0.171 0.000 1.022 211 E HN -0.675 7.814 8.360 -0.069 -0.171 0.418 212 L N 5.461 126.532 121.223 -0.254 0.000 2.534 212 L HA -0.221 4.042 4.340 -0.129 0.000 0.271 212 L C -0.852 175.814 176.870 -0.341 0.000 1.178 212 L CA 1.404 56.106 54.840 -0.229 0.000 0.907 212 L CB 0.179 42.131 42.059 -0.178 0.000 1.164 212 L HN 0.097 8.173 8.230 -0.258 0.000 0.482 213 M N 4.115 123.664 119.600 -0.084 0.000 2.615 213 M HA 0.175 4.745 4.480 0.150 0.000 0.262 213 M C 0.048 176.510 176.300 0.270 0.000 1.198 213 M CA 0.120 55.483 55.300 0.104 0.000 1.165 213 M CB 1.739 34.375 32.600 0.061 0.000 1.310 213 M HN 0.578 8.841 8.290 -0.046 0.000 0.494 214 G N -4.087 104.810 108.800 0.162 0.000 2.495 214 G HA2 0.334 4.511 3.960 0.213 0.000 0.294 214 G HA3 0.334 4.395 3.960 0.153 -0.009 0.294 214 G C -2.949 172.019 174.900 0.113 0.000 1.397 214 G CA 0.415 45.615 45.100 0.167 0.000 0.790 214 G HN -0.537 7.811 8.290 0.097 0.000 0.486 215 I N -0.819 119.820 120.570 0.115 0.000 2.355 215 I HA 0.600 4.989 4.170 0.071 -0.176 0.288 215 I C -0.651 175.519 176.117 0.089 0.000 0.999 215 I CA -3.501 57.852 61.300 0.089 0.000 1.163 215 I CB 0.276 38.330 38.000 0.090 0.000 1.316 215 I HN 0.050 8.339 8.210 0.131 0.000 0.454 216 N N 8.704 127.438 118.700 0.057 0.000 2.454 216 N HA 0.049 4.952 4.740 0.047 -0.136 0.254 216 N C 0.577 176.119 175.510 0.053 0.000 1.228 216 N CA 1.015 54.091 53.050 0.043 0.000 0.900 216 N CB 0.757 39.251 38.487 0.012 0.000 1.089 216 N HN 0.135 8.541 8.380 0.044 0.000 0.449 217 T N -2.369 112.215 114.554 0.050 0.000 2.888 217 T HA 0.393 4.955 4.350 0.074 -0.168 0.283 217 T C 0.537 175.256 174.700 0.032 0.000 1.013 217 T CA -1.753 60.378 62.100 0.053 0.000 0.938 217 T CB 2.043 70.926 68.868 0.025 0.000 1.298 217 T HN 0.092 8.354 8.240 0.036 0.000 0.580 218 L N -2.960 118.275 121.223 0.019 0.000 2.516 218 L HA 0.115 4.468 4.340 0.022 0.000 0.288 218 L C 0.058 176.969 176.870 0.068 0.000 1.246 218 L CA 0.693 55.544 54.840 0.019 0.000 0.844 218 L CB -0.072 41.964 42.059 -0.040 0.000 1.106 218 L HN 0.271 8.508 8.230 0.012 0.000 0.509 219 S N -1.050 114.713 115.700 0.104 0.000 2.592 219 S HA -0.027 4.505 4.470 0.103 0.000 0.271 219 S C -0.285 174.445 174.600 0.217 0.000 1.326 219 S CA -0.791 57.482 58.200 0.122 0.000 1.024 219 S CB 0.921 64.157 63.200 0.060 0.000 0.921 219 S HN -0.164 8.220 8.310 0.122 0.000 0.527 220 F N 4.575 124.548 119.950 0.039 0.000 2.335 220 F HA 0.143 4.715 4.527 0.075 0.000 0.365 220 F C -1.418 174.395 175.800 0.021 0.000 1.122 220 F CA -1.655 56.385 58.000 0.066 0.000 1.151 220 F CB -0.147 38.937 39.000 0.141 0.000 1.282 220 F HN 0.491 8.959 8.300 0.279 0.000 0.513 221 D N 5.115 125.538 120.400 0.038 0.000 2.262 221 D HA 0.053 4.600 4.640 -0.156 0.000 0.212 221 D C -0.960 175.212 176.300 -0.213 0.000 0.964 221 D CA 1.467 55.403 54.000 -0.108 0.000 0.875 221 D CB 1.561 42.371 40.800 0.017 0.000 0.996 221 D HN 0.252 8.749 8.370 0.211 0.000 0.497 222 K N -2.477 117.827 120.400 -0.160 0.000 2.501 222 K HA 0.370 4.724 4.320 -0.193 -0.150 0.252 222 K C -1.312 175.273 176.600 -0.024 0.000 0.934 222 K CA -1.552 54.661 56.287 -0.124 0.000 0.797 222 K CB 2.903 35.394 32.500 -0.015 0.000 1.270 222 K HN -0.747 7.486 8.250 -0.029 0.000 0.431 223 S N 4.149 119.821 115.700 -0.046 0.000 2.645 223 S HA 0.147 4.829 4.470 0.353 0.000 0.266 223 S C 0.934 175.610 174.600 0.127 0.000 1.258 223 S CA -0.483 57.800 58.200 0.140 0.000 0.990 223 S CB 2.036 65.285 63.200 0.082 0.000 0.967 223 S HN 0.310 8.559 8.310 -0.102 0.000 0.556 224 N N -0.025 118.760 118.700 0.141 0.000 2.166 224 N HA -0.279 4.511 4.740 0.083 0.000 0.186 224 N C 1.005 176.550 175.510 0.058 0.000 1.019 224 N CA 2.263 55.365 53.050 0.087 0.000 0.856 224 N CB -0.522 38.010 38.487 0.075 0.000 0.993 224 N HN 0.244 8.728 8.380 0.174 0.000 0.426 225 D N -1.287 119.146 120.400 0.055 0.000 2.348 225 D HA -0.033 4.626 4.640 0.031 0.000 0.216 225 D C 0.799 177.112 176.300 0.022 0.000 0.970 225 D CA 0.113 54.134 54.000 0.035 0.000 0.889 225 D CB -0.056 40.763 40.800 0.033 0.000 0.912 225 D HN 0.366 8.770 8.370 0.068 0.007 0.524 226 G N -1.154 107.658 108.800 0.020 0.000 2.159 226 G HA2 -0.383 3.581 3.960 0.006 0.000 0.227 226 G HA3 -0.383 3.580 3.960 0.005 0.000 0.227 226 G C -0.231 174.658 174.900 -0.018 0.000 0.986 226 G CA -0.237 44.865 45.100 0.004 0.000 0.651 226 G HN -0.237 7.894 8.290 0.030 0.177 0.523 227 E N 0.418 120.603 120.200 -0.025 0.000 2.374 227 E HA 0.059 4.385 4.350 -0.041 0.000 0.260 227 E C -0.507 176.032 176.600 -0.101 0.000 1.101 227 E CA -0.140 56.231 56.400 -0.049 0.000 0.907 227 E CB 1.077 30.755 29.700 -0.037 0.000 1.014 227 E HN -0.177 8.176 8.360 -0.011 0.000 0.427 228 T N 4.707 119.197 114.554 -0.107 0.000 2.762 228 T HA 0.415 4.654 4.350 -0.185 0.000 0.303 228 T C -1.720 172.866 174.700 -0.189 0.000 0.977 228 T CA -2.258 59.751 62.100 -0.151 0.000 0.961 228 T CB 0.658 69.463 68.868 -0.105 0.000 0.944 228 T HN 0.168 8.358 8.240 -0.083 0.000 0.481 229 P HA 0.064 4.353 4.420 -0.219 0.000 0.271 229 P C -1.793 175.386 177.300 -0.202 0.000 1.216 229 P CA -0.290 62.619 63.100 -0.317 0.000 0.776 229 P CB 0.727 32.004 31.700 -0.705 0.000 0.881 230 E N 1.516 121.643 120.200 -0.122 0.000 2.210 230 E HA 0.057 4.349 4.350 -0.097 0.000 0.266 230 E C -0.176 176.382 176.600 -0.070 0.000 0.883 230 E CA -0.586 55.761 56.400 -0.088 0.000 0.761 230 E CB 1.319 30.980 29.700 -0.064 0.000 1.156 230 E HN -0.001 8.300 8.360 -0.099 0.000 0.412 231 G N 2.684 111.441 108.800 -0.073 0.000 2.198 231 G HA2 -0.397 3.517 3.960 -0.076 0.000 0.260 231 G HA3 -0.397 3.526 3.960 -0.061 0.000 0.260 231 G C -1.248 173.596 174.900 -0.094 0.000 1.025 231 G CA 0.552 45.608 45.100 -0.073 0.000 0.769 231 G HN 0.606 8.851 8.290 -0.076 0.000 0.507 232 I N 0.168 120.679 120.570 -0.097 0.000 2.420 232 I HA 0.138 4.169 4.170 -0.232 0.000 0.282 232 I C -1.968 173.983 176.117 -0.278 0.000 1.019 232 I CA -0.796 60.411 61.300 -0.154 0.000 1.130 232 I CB 1.146 39.188 38.000 0.069 0.000 1.262 232 I HN -0.447 7.688 8.210 -0.082 0.025 0.454 233 G N 4.269 112.739 108.800 -0.549 0.000 2.672 233 G HA2 0.739 4.435 3.960 -0.440 0.000 0.292 233 G HA3 0.739 4.512 3.960 -0.312 0.000 0.292 233 G C -2.690 171.665 174.900 -0.909 0.000 1.375 233 G CA -1.016 43.751 45.100 -0.555 0.000 0.890 233 G HN 0.019 7.980 8.290 -0.549 0.000 0.476 234 F N -2.181 117.645 119.950 -0.207 0.000 2.588 234 F HA 0.930 5.488 4.527 -0.256 -0.185 0.314 234 F C -1.855 173.815 175.800 -0.216 0.000 1.069 234 F CA -2.100 55.690 58.000 -0.351 0.000 0.931 234 F CB 4.862 43.326 39.000 -0.893 0.000 1.260 234 F HN -0.171 8.040 8.300 -0.148 0.000 0.465 235 A N -0.728 122.158 122.820 0.109 0.000 2.515 235 A HA 0.761 5.296 4.320 0.141 -0.130 0.298 235 A C -2.185 175.598 177.584 0.331 0.000 1.059 235 A CA -1.810 50.328 52.037 0.169 0.000 0.698 235 A CB 3.801 22.866 19.000 0.109 0.000 1.289 235 A HN 0.710 8.962 8.150 0.171 0.000 0.404 236 I N 1.628 122.371 120.570 0.287 0.000 2.471 236 I HA 0.190 4.518 4.170 0.263 0.000 0.286 236 I C -1.827 174.377 176.117 0.145 0.000 1.079 236 I CA -1.550 59.886 61.300 0.226 0.000 1.398 236 I CB 0.627 38.719 38.000 0.154 0.000 1.403 236 I HN 0.191 8.543 8.210 0.235 0.000 0.530 237 P HA 0.074 4.684 4.420 0.105 -0.127 0.268 237 P C 0.873 178.176 177.300 0.005 0.000 1.205 237 P CA -0.354 62.771 63.100 0.041 0.000 0.771 237 P CB 0.239 31.904 31.700 -0.057 0.000 0.858 238 F N 3.164 123.122 119.950 0.013 0.000 2.216 238 F HA -0.360 4.174 4.527 0.012 0.000 0.300 238 F C 1.109 176.908 175.800 -0.002 0.000 1.085 238 F CA 3.802 61.805 58.000 0.006 0.000 1.326 238 F CB -0.601 38.400 39.000 0.002 0.000 1.027 238 F HN -0.191 8.285 8.300 0.294 0.000 0.497 239 Q N -0.265 118.999 119.800 -0.893 0.000 2.084 239 Q HA -0.318 3.711 4.340 -0.517 0.000 0.202 239 Q C 2.450 178.300 176.000 -0.249 0.000 0.978 239 Q CA 3.272 58.703 55.803 -0.620 0.000 0.844 239 Q CB -0.840 27.492 28.738 -0.677 0.000 0.898 239 Q HN 0.180 7.720 8.270 -1.185 0.019 0.426 240 L N -0.316 120.786 121.223 -0.201 0.000 2.056 240 L HA -0.250 4.023 4.340 -0.111 0.000 0.207 240 L C 1.004 177.839 176.870 -0.059 0.000 1.078 240 L CA 2.411 57.183 54.840 -0.113 0.000 0.749 240 L CB -0.588 41.410 42.059 -0.102 0.000 0.901 240 L HN -0.762 7.329 8.230 -0.232 0.000 0.433 241 A N -2.124 120.681 122.820 -0.024 0.000 1.908 241 A HA -0.410 3.919 4.320 0.014 0.000 0.218 241 A C 1.965 179.561 177.584 0.019 0.000 1.181 241 A CA 3.408 55.457 52.037 0.020 0.000 0.627 241 A CB -1.013 18.029 19.000 0.070 0.000 0.818 241 A HN -0.197 7.937 8.150 -0.027 0.000 0.445 242 T N -1.480 113.092 114.554 0.029 0.000 2.821 242 T HA -0.389 3.980 4.350 0.032 0.000 0.267 242 T C 1.598 176.291 174.700 -0.010 0.000 1.046 242 T CA 4.081 66.198 62.100 0.028 0.000 1.139 242 T CB -0.486 68.424 68.868 0.069 0.000 0.871 242 T HN -0.280 7.980 8.240 0.033 0.000 0.454 243 K N 1.843 122.225 120.400 -0.030 0.000 2.057 243 K HA -0.275 4.022 4.320 -0.039 0.000 0.207 243 K C 2.182 178.758 176.600 -0.040 0.000 1.049 243 K CA 3.344 59.606 56.287 -0.041 0.000 0.931 243 K CB -0.217 32.250 32.500 -0.055 0.000 0.714 243 K HN -0.753 7.474 8.250 -0.039 0.000 0.440 244 I N -0.912 119.637 120.570 -0.035 0.000 2.252 244 I HA -0.393 3.756 4.170 -0.036 0.000 0.245 244 I C 1.822 177.920 176.117 -0.033 0.000 1.102 244 I CA 2.483 63.764 61.300 -0.032 0.000 1.385 244 I CB -0.901 37.086 38.000 -0.023 0.000 1.064 244 I HN -0.271 7.919 8.210 -0.033 0.000 0.414 245 M N 1.102 120.686 119.600 -0.028 0.000 2.080 245 M HA -0.554 3.906 4.480 -0.033 0.000 0.260 245 M C 1.484 177.733 176.300 -0.084 0.000 1.068 245 M CA 4.584 59.859 55.300 -0.042 0.000 1.109 245 M CB -0.223 32.362 32.600 -0.026 0.000 1.342 245 M HN -0.094 8.184 8.290 -0.019 0.000 0.405 246 D N -0.992 119.360 120.400 -0.079 0.000 2.123 246 D HA -0.367 4.192 4.640 -0.135 0.000 0.196 246 D C 2.586 178.832 176.300 -0.089 0.000 0.992 246 D CA 3.446 57.388 54.000 -0.098 0.000 0.833 246 D CB -0.676 40.082 40.800 -0.069 0.000 0.954 246 D HN -0.284 8.050 8.370 -0.059 0.000 0.455 247 K N -0.489 119.873 120.400 -0.065 0.000 2.057 247 K HA -0.249 4.040 4.320 -0.052 0.000 0.206 247 K C 2.431 178.998 176.600 -0.054 0.000 1.050 247 K CA 3.324 59.578 56.287 -0.054 0.000 0.935 247 K CB 0.036 32.510 32.500 -0.042 0.000 0.715 247 K HN -0.799 7.417 8.250 -0.057 0.000 0.439 248 L N -1.393 119.797 121.223 -0.054 0.000 2.141 248 L HA -0.340 3.980 4.340 -0.032 0.000 0.209 248 L C 2.170 179.005 176.870 -0.059 0.000 1.094 248 L CA 2.835 57.650 54.840 -0.043 0.000 0.763 248 L CB -0.236 41.806 42.059 -0.027 0.000 0.908 248 L HN -0.408 7.790 8.230 -0.054 0.000 0.437 249 I N -2.249 118.251 120.570 -0.118 0.000 2.286 249 I HA -0.473 3.608 4.170 -0.149 0.000 0.245 249 I C 1.762 177.812 176.117 -0.112 0.000 1.104 249 I CA 3.383 64.571 61.300 -0.185 0.000 1.397 249 I CB -0.149 37.601 38.000 -0.416 0.000 1.072 249 I HN -0.265 7.866 8.210 -0.133 0.000 0.417 250 R N -1.192 119.252 120.500 -0.094 0.000 2.073 250 R HA -0.178 4.127 4.340 -0.060 0.000 0.229 250 R C 1.640 177.918 176.300 -0.037 0.000 1.120 250 R CA 2.725 58.788 56.100 -0.061 0.000 0.967 250 R CB 0.638 30.904 30.300 -0.057 0.000 0.862 250 R HN -0.453 7.758 8.270 -0.098 0.000 0.436 251 D N -5.284 115.096 120.400 -0.034 0.000 2.479 251 D HA 0.216 4.845 4.640 -0.018 0.000 0.216 251 D C -0.358 175.933 176.300 -0.015 0.000 1.110 251 D CA 0.409 54.396 54.000 -0.022 0.000 0.841 251 D CB 2.972 43.758 40.800 -0.024 0.000 1.040 251 D HN -0.265 8.081 8.370 -0.040 0.000 0.505 252 G N 0.392 109.183 108.800 -0.016 0.000 2.162 252 G HA2 -0.446 3.633 3.960 -0.001 0.000 0.260 252 G HA3 -0.446 3.513 3.960 -0.001 0.000 0.260 252 G C -1.647 173.247 174.900 -0.009 0.000 0.976 252 G CA 0.893 45.989 45.100 -0.006 0.000 0.655 252 G HN 0.134 8.303 8.290 -0.023 0.108 0.533 253 R N -5.297 115.194 120.500 -0.016 0.000 2.709 253 R HA 0.242 4.572 4.340 -0.016 0.000 0.270 253 R C -2.217 174.070 176.300 -0.022 0.000 1.038 253 R CA -1.570 54.520 56.100 -0.017 0.000 0.872 253 R CB 2.121 32.412 30.300 -0.015 0.000 1.259 253 R HN -1.011 7.187 8.270 -0.019 0.060 0.473 254 V N 1.494 121.394 119.914 -0.023 0.000 2.368 254 V HA 0.058 4.161 4.120 -0.028 0.000 0.266 254 V C -0.946 175.134 176.094 -0.025 0.000 1.045 254 V CA -0.173 62.111 62.300 -0.026 0.000 0.899 254 V CB 0.195 32.001 31.823 -0.028 0.000 1.006 254 V HN 0.319 8.496 8.190 -0.021 0.000 0.470 255 I N 8.828 129.383 120.570 -0.025 0.000 2.331 255 I HA 0.077 4.234 4.170 -0.022 0.000 0.292 255 I C -0.929 175.173 176.117 -0.025 0.000 0.998 255 I CA -0.335 60.952 61.300 -0.023 0.000 1.267 255 I CB 0.563 38.550 38.000 -0.021 0.000 1.386 255 I HN 0.204 8.398 8.210 -0.026 0.000 0.476 256 R N 0.000 120.485 120.500 -0.025 0.000 2.786 256 R HA 0.000 4.323 4.340 -0.028 0.000 0.208 256 R CA 0.000 56.084 56.100 -0.027 0.000 0.921 256 R CB 0.000 30.282 30.300 -0.030 0.000 0.687 256 R HN 0.000 8.256 8.270 -0.024 0.000 0.535