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 3osn_1_A DATA FIRST_RESID 25 DATA SEQUENCE ASSRVIVHVD LDCFYAQVEM ISNPELKDKP LGVQQKYLVV TCNYEARKLG DATA SEQUENCE VKKLMNVRDA KEKCPQLVLV NGEDLTRYRE MSYKVTELLE EFSPVVERLG DATA SEQUENCE FDENFVDLTE MVEKRLQQLQ SDELSAVTVS GHVYNNQSIN LLDVLHIRLL DATA SEQUENCE VGSQIAAEMR EAMYNQLGLT GCAGVASNKL LAKLVSGVFK PNQQTVLLPE DATA SEQUENCE SCQHLIHSLN HIKEIPGIGY KTAKCLEALG INSVRDLQTF SPKILEKELG DATA SEQUENCE ISVAQRIQKL SFGEDNSPVI LSGPPQSFSE EDSFKKCSSE VEAKNKIEEL DATA SEQUENCE LASLLNRVCQ DGRKPHTVRL IIRRYSSEKH YGRESRQCPI PSHVIQKXXX DATA SEQUENCE XXYDVMTPMV DILMKLFRNM VNVKMPFHLT LLSVCFCNLK 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 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 25 A C 0.000 177.588 177.584 0.007 0.000 1.274 25 A CA 0.000 52.041 52.037 0.007 0.000 0.836 25 A CB 0.000 19.003 19.000 0.005 0.000 0.831 26 S N -0.098 115.605 115.700 0.006 0.000 2.486 26 S HA 0.283 4.764 4.470 0.019 0.000 0.220 26 S C 0.859 175.463 174.600 0.007 0.000 1.011 26 S CA 0.711 58.914 58.200 0.004 0.000 0.921 26 S CB 0.010 63.211 63.200 0.001 0.000 0.785 26 S HN 0.410 8.720 8.310 -0.000 0.000 0.517 27 S N 2.181 117.888 115.700 0.012 0.000 2.465 27 S HA 0.423 4.904 4.470 0.019 0.000 0.279 27 S C 0.089 174.702 174.600 0.021 0.000 1.201 27 S CA -0.673 57.537 58.200 0.017 0.000 1.053 27 S CB 0.374 63.588 63.200 0.024 0.000 0.953 27 S HN 0.351 8.661 8.310 -0.000 0.000 0.488 28 R N 2.049 122.561 120.500 0.020 0.000 2.596 28 R HA 0.632 4.983 4.340 0.019 0.000 0.267 28 R C -1.026 175.293 176.300 0.032 0.000 1.026 28 R CA -0.853 55.261 56.100 0.023 0.000 1.087 28 R CB 0.980 31.290 30.300 0.017 0.000 1.132 28 R HN 0.342 8.612 8.270 -0.000 0.000 0.531 29 V N 3.594 123.530 119.914 0.037 0.000 2.350 29 V HA 0.335 4.466 4.120 0.019 0.000 0.285 29 V C -0.421 175.704 176.094 0.052 0.000 1.014 29 V CA -0.651 61.675 62.300 0.044 0.000 0.831 29 V CB 1.280 33.129 31.823 0.043 0.000 1.000 29 V HN 0.502 8.692 8.190 -0.000 0.000 0.433 30 I N 5.050 125.658 120.570 0.063 0.000 2.493 30 I HA 0.541 4.723 4.170 0.019 0.000 0.298 30 I C -0.148 176.035 176.117 0.109 0.000 0.998 30 I CA -0.805 60.552 61.300 0.095 0.000 1.137 30 I CB 1.914 39.980 38.000 0.111 0.000 1.310 30 I HN 0.354 8.564 8.210 -0.000 0.000 0.445 31 V N 6.012 125.998 119.914 0.120 0.000 2.555 31 V HA 0.427 4.558 4.120 0.019 0.000 0.302 31 V C -0.718 175.456 176.094 0.132 0.000 1.038 31 V CA -0.429 61.926 62.300 0.091 0.000 0.887 31 V CB 1.863 33.692 31.823 0.010 0.000 0.991 31 V HN 0.811 9.001 8.190 -0.000 0.000 0.434 32 H N 5.784 124.827 119.070 -0.044 0.000 2.504 32 H HA 0.603 5.169 4.556 0.017 0.000 0.322 32 H C -1.526 173.660 175.328 -0.236 0.000 1.055 32 H CA -0.511 55.372 56.048 -0.275 0.000 1.231 32 H CB 1.850 31.433 29.762 -0.298 0.000 1.417 32 H HN 0.512 8.792 8.280 -0.000 0.000 0.472 33 V N 5.663 125.198 119.914 -0.631 0.000 2.435 33 V HA 0.141 4.272 4.120 0.019 0.000 0.290 33 V C -0.131 175.569 176.094 -0.657 0.000 1.030 33 V CA -0.534 61.483 62.300 -0.472 0.000 0.881 33 V CB 1.601 33.236 31.823 -0.313 0.000 0.983 33 V HN 0.767 8.957 8.190 -0.000 0.000 0.445 34 D N 4.445 124.578 120.400 -0.446 0.000 2.386 34 D HA 0.315 4.966 4.640 0.019 0.000 0.247 34 D C -0.893 175.300 176.300 -0.177 0.000 1.336 34 D CA -0.454 53.320 54.000 -0.377 0.000 0.976 34 D CB 1.521 42.160 40.800 -0.269 0.000 1.257 34 D HN 0.161 8.531 8.370 -0.000 0.000 0.570 35 L N 2.762 123.885 121.223 -0.166 0.000 2.439 35 L HA 0.215 4.567 4.340 0.019 0.000 0.269 35 L C 0.639 177.542 176.870 0.055 0.000 1.179 35 L CA 0.168 54.980 54.840 -0.046 0.000 0.828 35 L CB 0.462 42.484 42.059 -0.062 0.000 1.106 35 L HN 0.339 8.569 8.230 -0.000 0.000 0.467 36 D N 1.586 122.055 120.400 0.115 0.000 2.390 36 D HA 0.073 4.724 4.640 0.019 0.000 0.249 36 D C 0.976 177.429 176.300 0.254 0.000 1.144 36 D CA 0.177 54.300 54.000 0.205 0.000 0.880 36 D CB 0.460 41.354 40.800 0.157 0.000 1.182 36 D HN 0.864 9.234 8.370 -0.000 0.000 0.451 37 C N 1.937 121.372 119.300 0.225 0.000 3.860 37 C HA -0.253 4.218 4.460 0.019 0.000 0.292 37 C C 1.798 176.860 174.990 0.120 0.000 1.445 37 C CA -0.731 58.354 59.018 0.112 0.000 2.040 37 C CB -3.215 24.581 27.740 0.093 0.000 1.314 37 C HN 0.703 8.933 8.230 -0.000 0.000 0.678 38 F N 1.327 121.254 119.950 -0.038 0.000 2.063 38 F HA -0.179 4.359 4.527 0.017 0.000 0.298 38 F C 2.204 178.059 175.800 0.091 0.000 1.105 38 F CA 2.606 60.623 58.000 0.027 0.000 1.215 38 F CB -0.607 38.407 39.000 0.023 0.000 0.972 38 F HN 0.461 8.761 8.300 -0.000 0.000 0.483 39 Y N 0.179 120.225 120.300 -0.423 0.000 2.224 39 Y HA -0.063 4.499 4.550 0.019 0.000 0.289 39 Y C 2.676 178.365 175.900 -0.352 0.000 1.146 39 Y CA 0.649 58.258 58.100 -0.818 0.000 1.182 39 Y CB -1.771 36.102 38.460 -0.977 0.000 0.983 39 Y HN 0.185 8.465 8.280 -0.000 0.000 0.524 40 A N -0.148 122.658 122.820 -0.023 0.000 1.930 40 A HA -0.214 4.117 4.320 0.019 0.000 0.217 40 A C 2.240 179.846 177.584 0.037 0.000 1.175 40 A CA 1.476 53.527 52.037 0.024 0.000 0.627 40 A CB -0.692 18.325 19.000 0.028 0.000 0.815 40 A HN 0.478 8.628 8.150 -0.000 0.000 0.443 41 Q N -0.429 119.394 119.800 0.039 0.000 2.061 41 Q HA -0.157 4.194 4.340 0.019 0.000 0.204 41 Q C 2.218 178.233 176.000 0.025 0.000 0.984 41 Q CA 1.940 57.781 55.803 0.063 0.000 0.846 41 Q CB -0.392 28.420 28.738 0.124 0.000 0.902 41 Q HN 0.519 8.789 8.270 -0.000 0.000 0.421 42 V N 1.467 121.345 119.914 -0.061 0.000 2.287 42 V HA -0.254 3.877 4.120 0.019 0.000 0.248 42 V C 2.163 178.286 176.094 0.049 0.000 1.053 42 V CA 1.840 64.128 62.300 -0.020 0.000 1.027 42 V CB -0.565 31.234 31.823 -0.041 0.000 0.646 42 V HN 0.338 8.528 8.190 -0.000 0.000 0.447 43 E N -0.417 119.837 120.200 0.089 0.000 2.110 43 E HA -0.196 4.165 4.350 0.019 0.000 0.193 43 E C 2.183 178.813 176.600 0.050 0.000 0.988 43 E CA 1.333 57.780 56.400 0.079 0.000 0.804 43 E CB -0.342 29.416 29.700 0.097 0.000 0.745 43 E HN 0.563 8.923 8.360 -0.000 0.000 0.458 44 M N 0.069 119.699 119.600 0.051 0.000 2.159 44 M HA -0.136 4.355 4.480 0.019 0.000 0.263 44 M C 2.351 178.677 176.300 0.044 0.000 1.063 44 M CA 1.205 56.535 55.300 0.049 0.000 1.110 44 M CB -0.296 32.341 32.600 0.061 0.000 1.374 44 M HN 0.050 8.340 8.290 -0.000 0.000 0.411 45 I N -0.631 119.965 120.570 0.043 0.000 2.252 45 I HA -0.240 3.941 4.170 0.019 0.000 0.245 45 I C 2.388 178.517 176.117 0.020 0.000 1.102 45 I CA 1.075 62.394 61.300 0.033 0.000 1.385 45 I CB -0.301 37.718 38.000 0.032 0.000 1.064 45 I HN 0.181 8.391 8.210 -0.000 0.000 0.414 46 S N 0.250 115.960 115.700 0.017 0.000 2.382 46 S HA -0.130 4.352 4.470 0.019 0.000 0.228 46 S C 1.083 175.688 174.600 0.009 0.000 1.027 46 S CA 1.144 59.348 58.200 0.006 0.000 0.991 46 S CB -0.274 62.925 63.200 -0.002 0.000 0.823 46 S HN 0.384 8.694 8.310 -0.000 0.000 0.469 47 N N 0.520 119.230 118.700 0.017 0.000 2.690 47 N HA 0.251 5.002 4.740 0.019 0.000 0.255 47 N C -2.602 172.921 175.510 0.022 0.000 1.195 47 N CA -2.051 51.009 53.050 0.016 0.000 0.790 47 N CB 1.453 39.949 38.487 0.015 0.000 1.216 47 N HN -0.055 8.325 8.380 -0.000 0.000 0.528 48 P HA -0.036 4.384 4.420 -0.000 0.000 0.230 48 P C 0.600 177.914 177.300 0.025 0.000 1.158 48 P CA 0.695 63.811 63.100 0.026 0.000 0.769 48 P CB 0.557 32.272 31.700 0.024 0.000 0.807 49 E N 0.419 120.631 120.200 0.020 0.000 2.219 49 E HA -0.131 4.230 4.350 0.019 0.000 0.198 49 E C 1.807 178.420 176.600 0.022 0.000 0.998 49 E CA 1.016 57.427 56.400 0.019 0.000 0.818 49 E CB -0.534 29.175 29.700 0.015 0.000 0.741 49 E HN 0.448 8.808 8.360 -0.000 0.000 0.477 50 L N 0.182 121.421 121.223 0.025 0.000 2.591 50 L HA 0.086 4.437 4.340 0.019 0.000 0.228 50 L C 2.317 179.208 176.870 0.035 0.000 1.133 50 L CA 0.160 55.017 54.840 0.029 0.000 0.880 50 L CB -0.190 41.887 42.059 0.031 0.000 1.033 50 L HN -0.058 8.172 8.230 -0.000 0.000 0.450 51 K N 0.812 121.235 120.400 0.037 0.000 2.063 51 K HA -0.177 4.155 4.320 0.019 0.000 0.208 51 K C 0.982 177.608 176.600 0.043 0.000 1.048 51 K CA 1.608 57.922 56.287 0.045 0.000 0.928 51 K CB 0.156 32.682 32.500 0.044 0.000 0.713 51 K HN 0.163 8.413 8.250 -0.000 0.000 0.442 52 D N -0.052 120.369 120.400 0.036 0.000 2.340 52 D HA 0.077 4.728 4.640 0.019 0.000 0.217 52 D C -0.553 175.766 176.300 0.031 0.000 1.081 52 D CA 0.393 54.413 54.000 0.033 0.000 0.842 52 D CB 0.478 41.294 40.800 0.027 0.000 0.934 52 D HN 0.093 8.463 8.370 -0.000 0.000 0.511 53 K N 1.199 121.618 120.400 0.031 0.000 2.203 53 K HA 0.387 4.718 4.320 0.019 0.000 0.251 53 K C -2.582 174.035 176.600 0.028 0.000 0.944 53 K CA -1.981 54.322 56.287 0.026 0.000 0.829 53 K CB 1.953 34.467 32.500 0.022 0.000 1.125 53 K HN -0.149 8.101 8.250 -0.000 0.000 0.430 54 P HA 0.065 4.485 4.420 -0.000 0.000 0.271 54 P C -1.151 176.159 177.300 0.017 0.000 1.226 54 P CA -0.275 62.837 63.100 0.020 0.000 0.765 54 P CB 0.581 32.289 31.700 0.013 0.000 0.835 55 L N 3.472 124.705 121.223 0.017 0.000 2.436 55 L HA 0.812 5.164 4.340 0.019 0.000 0.268 55 L C -0.563 176.312 176.870 0.008 0.000 0.974 55 L CA -0.293 54.557 54.840 0.017 0.000 0.826 55 L CB 2.175 44.251 42.059 0.028 0.000 1.291 55 L HN 0.484 8.714 8.230 -0.000 0.000 0.406 56 G N 3.409 112.214 108.800 0.009 0.000 2.448 56 G HA2 0.620 4.591 3.960 0.019 0.000 0.324 56 G HA3 0.620 4.591 3.960 0.019 0.000 0.324 56 G C -1.652 173.262 174.900 0.024 0.000 1.203 56 G CA -0.617 44.486 45.100 0.005 0.000 0.954 56 G HN 0.489 8.779 8.290 -0.000 0.000 0.480 57 V N 1.612 121.546 119.914 0.033 0.000 2.347 57 V HA 0.373 4.504 4.120 0.019 0.000 0.280 57 V C 0.165 176.301 176.094 0.069 0.000 1.021 57 V CA -0.561 61.783 62.300 0.072 0.000 0.847 57 V CB 1.141 33.030 31.823 0.110 0.000 0.990 57 V HN 0.816 9.006 8.190 -0.000 0.000 0.444 58 Q N 4.127 123.965 119.800 0.065 0.000 2.256 58 Q HA 0.537 4.889 4.340 0.019 0.000 0.257 58 Q C -0.997 175.043 176.000 0.066 0.000 0.936 58 Q CA -0.571 55.261 55.803 0.048 0.000 0.903 58 Q CB 1.514 30.262 28.738 0.017 0.000 1.263 58 Q HN 0.738 9.008 8.270 -0.000 0.000 0.440 59 Q N 3.596 123.436 119.800 0.067 0.000 2.303 59 Q HA 0.280 4.631 4.340 0.019 0.000 0.267 59 Q C -0.646 175.398 176.000 0.073 0.000 1.011 59 Q CA -0.856 54.992 55.803 0.076 0.000 0.740 59 Q CB 1.671 30.468 28.738 0.098 0.000 1.250 59 Q HN 0.648 8.918 8.270 -0.000 0.000 0.458 60 K N 0.007 120.439 120.400 0.053 0.000 1.779 60 K HA -0.279 4.052 4.320 0.019 0.000 0.128 60 K C 0.422 177.025 176.600 0.006 0.000 1.288 60 K CA 1.829 58.155 56.287 0.066 0.000 0.398 60 K CB -1.256 31.394 32.500 0.249 0.000 0.609 60 K HN 0.748 8.998 8.250 -0.000 0.000 0.874 61 Y N 0.937 121.243 120.300 0.010 0.000 2.495 61 Y HA 0.356 4.917 4.550 0.018 0.000 0.293 61 Y C 0.771 176.671 175.900 -0.001 0.000 1.186 61 Y CA -0.077 58.026 58.100 0.005 0.000 1.266 61 Y CB 0.397 38.857 38.460 0.001 0.000 1.101 61 Y HN 0.084 8.364 8.280 -0.000 0.000 0.517 62 L N 0.769 122.072 121.223 0.132 0.000 2.346 62 L HA 0.425 4.776 4.340 0.019 0.000 0.276 62 L C -0.584 176.312 176.870 0.042 0.000 1.006 62 L CA -0.855 54.029 54.840 0.073 0.000 0.817 62 L CB 2.209 44.302 42.059 0.056 0.000 1.272 62 L HN -0.241 7.989 8.230 -0.000 0.000 0.421 63 V N 5.335 125.262 119.914 0.021 0.000 2.322 63 V HA 0.053 4.184 4.120 0.019 0.000 0.258 63 V C 1.079 177.165 176.094 -0.012 0.000 1.074 63 V CA -0.001 62.302 62.300 0.006 0.000 0.909 63 V CB 1.330 33.150 31.823 -0.005 0.000 1.090 63 V HN 0.684 8.874 8.190 -0.000 0.000 0.486 64 V N 3.988 123.900 119.914 -0.004 0.000 2.591 64 V HA 0.027 4.158 4.120 0.019 0.000 0.249 64 V C 0.989 177.027 176.094 -0.093 0.000 1.053 64 V CA 2.286 64.565 62.300 -0.035 0.000 1.068 64 V CB 0.721 32.545 31.823 0.003 0.000 0.689 64 V HN 0.895 9.085 8.190 -0.000 0.000 0.462 65 T N -1.409 113.097 114.554 -0.080 0.000 2.769 65 T HA 0.559 4.920 4.350 0.019 0.000 0.306 65 T C -1.508 173.147 174.700 -0.076 0.000 1.400 65 T CA -0.015 62.016 62.100 -0.115 0.000 1.007 65 T CB 1.238 69.993 68.868 -0.188 0.000 1.392 65 T HN 0.633 8.873 8.240 -0.000 0.000 0.500 66 C N 2.493 121.734 119.300 -0.098 0.000 3.239 66 C HA 0.889 5.360 4.460 0.019 0.000 0.317 66 C C -0.290 174.645 174.990 -0.092 0.000 1.310 66 C CA -1.279 57.694 59.018 -0.074 0.000 1.371 66 C CB 0.547 28.242 27.740 -0.074 0.000 1.714 66 C HN 1.042 9.272 8.230 -0.000 0.000 0.473 67 N N -0.022 118.660 118.700 -0.031 0.000 2.408 67 N HA 0.217 4.969 4.740 0.019 0.000 0.260 67 N C 0.124 175.639 175.510 0.009 0.000 1.242 67 N CA -0.464 52.604 53.050 0.029 0.000 0.959 67 N CB 0.164 38.699 38.487 0.079 0.000 1.201 67 N HN 0.799 9.179 8.380 -0.000 0.000 0.511 68 Y N -0.785 119.522 120.300 0.012 0.000 2.483 68 Y HA -0.097 4.466 4.550 0.021 0.000 0.291 68 Y C 1.446 177.352 175.900 0.009 0.000 1.143 68 Y CA 0.959 59.065 58.100 0.009 0.000 1.289 68 Y CB 0.026 38.493 38.460 0.012 0.000 0.983 68 Y HN 0.611 8.891 8.280 -0.000 0.000 0.556 69 E N -0.216 120.055 120.200 0.119 0.000 2.274 69 E HA -0.095 4.266 4.350 0.019 0.000 0.194 69 E C 2.140 178.759 176.600 0.031 0.000 0.996 69 E CA 0.904 57.345 56.400 0.069 0.000 0.840 69 E CB -0.207 29.528 29.700 0.059 0.000 0.772 69 E HN 0.428 8.788 8.360 -0.000 0.000 0.491 70 A N 0.918 123.743 122.820 0.008 0.000 1.903 70 A HA -0.016 4.316 4.320 0.019 0.000 0.213 70 A C 1.991 179.554 177.584 -0.035 0.000 1.185 70 A CA 0.706 52.734 52.037 -0.015 0.000 0.628 70 A CB -0.141 18.843 19.000 -0.026 0.000 0.830 70 A HN 0.029 8.179 8.150 -0.000 0.000 0.446 71 R N 0.336 120.793 120.500 -0.071 0.000 2.105 71 R HA -0.127 4.225 4.340 0.019 0.000 0.239 71 R C 1.837 178.119 176.300 -0.031 0.000 1.135 71 R CA 1.683 57.729 56.100 -0.090 0.000 0.967 71 R CB -0.265 29.917 30.300 -0.197 0.000 0.861 71 R HN 0.483 8.754 8.270 -0.000 0.000 0.442 72 K N 0.544 120.947 120.400 0.006 0.000 2.362 72 K HA -0.042 4.289 4.320 0.019 0.000 0.200 72 K C 1.228 177.833 176.600 0.008 0.000 1.046 72 K CA 0.722 57.022 56.287 0.021 0.000 0.952 72 K CB 0.123 32.647 32.500 0.040 0.000 0.753 72 K HN 0.250 8.500 8.250 -0.000 0.000 0.466 73 L N -0.120 121.104 121.223 0.000 0.000 2.685 73 L HA 0.231 4.583 4.340 0.019 0.000 0.233 73 L C 0.808 177.672 176.870 -0.010 0.000 1.173 73 L CA 0.149 54.987 54.840 -0.002 0.000 0.961 73 L CB -0.422 41.636 42.059 -0.001 0.000 1.217 73 L HN 0.331 8.561 8.230 -0.000 0.000 0.478 74 G N 0.800 109.591 108.800 -0.016 0.000 2.143 74 G HA2 -0.253 3.718 3.960 0.019 0.000 0.248 74 G HA3 -0.253 3.718 3.960 0.019 0.000 0.248 74 G C 0.221 175.104 174.900 -0.029 0.000 0.991 74 G CA 0.092 45.179 45.100 -0.022 0.000 0.689 74 G HN 0.184 8.474 8.290 -0.000 0.000 0.522 75 V N 1.417 121.310 119.914 -0.035 0.000 2.508 75 V HA 0.424 4.555 4.120 0.019 0.000 0.281 75 V C 0.576 176.633 176.094 -0.063 0.000 1.041 75 V CA -0.151 62.123 62.300 -0.042 0.000 1.016 75 V CB 1.360 33.159 31.823 -0.040 0.000 0.984 75 V HN 0.237 8.427 8.190 -0.000 0.000 0.478 76 K N 3.655 124.020 120.400 -0.058 0.000 2.208 76 K HA 0.489 4.821 4.320 0.019 0.000 0.247 76 K C -0.246 176.309 176.600 -0.076 0.000 0.953 76 K CA -0.963 55.282 56.287 -0.071 0.000 0.837 76 K CB 1.939 34.405 32.500 -0.057 0.000 1.131 76 K HN 0.527 8.777 8.250 -0.000 0.000 0.431 77 K N 1.827 122.172 120.400 -0.093 0.000 2.451 77 K HA 0.041 4.372 4.320 0.019 0.000 0.280 77 K C 0.162 176.719 176.600 -0.072 0.000 1.020 77 K CA 0.094 56.325 56.287 -0.094 0.000 1.008 77 K CB 0.013 32.447 32.500 -0.110 0.000 0.917 77 K HN 0.477 8.727 8.250 -0.000 0.000 0.478 78 L N 0.945 122.129 121.223 -0.065 0.000 3.634 78 L HA -0.244 4.107 4.340 0.019 0.000 0.423 78 L C 0.012 176.860 176.870 -0.038 0.000 1.253 78 L CA 0.328 55.139 54.840 -0.049 0.000 0.885 78 L CB -1.683 40.343 42.059 -0.055 0.000 1.789 78 L HN 0.743 8.973 8.230 -0.000 0.000 0.904 79 M N 1.388 120.968 119.600 -0.032 0.000 2.264 79 M HA 0.370 4.862 4.480 0.019 0.000 0.352 79 M C 0.830 177.127 176.300 -0.004 0.000 1.173 79 M CA -0.270 55.016 55.300 -0.022 0.000 1.075 79 M CB 1.076 33.661 32.600 -0.026 0.000 1.621 79 M HN 0.363 8.653 8.290 -0.000 0.000 0.457 80 N N 2.584 121.287 118.700 0.005 0.000 2.444 80 N HA 0.088 4.840 4.740 0.019 0.000 0.255 80 N C 0.220 175.751 175.510 0.034 0.000 1.255 80 N CA -0.717 52.351 53.050 0.032 0.000 0.933 80 N CB 0.880 39.390 38.487 0.038 0.000 1.143 80 N HN 0.505 8.885 8.380 -0.000 0.000 0.453 81 V N 0.951 120.898 119.914 0.056 0.000 2.515 81 V HA -0.143 3.988 4.120 0.019 0.000 0.250 81 V C 2.614 178.725 176.094 0.029 0.000 1.058 81 V CA 1.570 63.891 62.300 0.035 0.000 1.064 81 V CB -1.001 30.839 31.823 0.028 0.000 0.675 81 V HN 0.735 8.925 8.190 -0.000 0.000 0.461 82 R N -0.007 120.519 120.500 0.042 0.000 2.066 82 R HA -0.153 4.198 4.340 0.019 0.000 0.232 82 R C 2.136 178.446 176.300 0.017 0.000 1.131 82 R CA 1.786 57.904 56.100 0.030 0.000 0.955 82 R CB -0.309 30.014 30.300 0.039 0.000 0.851 82 R HN 0.462 8.732 8.270 -0.000 0.000 0.432 83 D N 0.289 120.698 120.400 0.014 0.000 2.133 83 D HA -0.187 4.464 4.640 0.019 0.000 0.195 83 D C 1.633 177.933 176.300 0.000 0.000 0.997 83 D CA 1.618 55.620 54.000 0.004 0.000 0.840 83 D CB -0.221 40.579 40.800 -0.001 0.000 0.947 83 D HN 0.370 8.740 8.370 -0.000 0.000 0.452 84 A N 1.053 123.874 122.820 0.002 0.000 1.873 84 A HA -0.168 4.163 4.320 0.019 0.000 0.215 84 A C 2.073 179.656 177.584 -0.002 0.000 1.186 84 A CA 1.238 53.273 52.037 -0.003 0.000 0.616 84 A CB -0.208 18.791 19.000 -0.003 0.000 0.823 84 A HN 0.039 8.189 8.150 -0.000 0.000 0.442 85 K N -0.266 120.135 120.400 0.002 0.000 2.026 85 K HA -0.147 4.184 4.320 0.019 0.000 0.208 85 K C 1.873 178.474 176.600 0.002 0.000 1.048 85 K CA 1.204 57.492 56.287 0.002 0.000 0.929 85 K CB -0.410 32.093 32.500 0.004 0.000 0.713 85 K HN 0.532 8.782 8.250 -0.000 0.000 0.439 86 E N 1.141 121.343 120.200 0.003 0.000 2.171 86 E HA -0.211 4.150 4.350 0.019 0.000 0.197 86 E C 1.825 178.424 176.600 -0.001 0.000 0.997 86 E CA 1.341 57.742 56.400 0.002 0.000 0.810 86 E CB 0.203 29.904 29.700 0.002 0.000 0.738 86 E HN 0.027 8.387 8.360 -0.000 0.000 0.467 87 K N -0.378 120.021 120.400 -0.003 0.000 2.067 87 K HA -0.005 4.326 4.320 0.019 0.000 0.203 87 K C 0.558 177.156 176.600 -0.003 0.000 1.048 87 K CA 0.678 56.962 56.287 -0.005 0.000 0.954 87 K CB 0.125 32.620 32.500 -0.009 0.000 0.737 87 K HN 0.100 8.350 8.250 -0.000 0.000 0.444 88 C N 1.694 120.992 119.300 -0.003 0.000 2.653 88 C HA 0.526 4.998 4.460 0.019 0.000 0.291 88 C C -2.149 172.841 174.990 0.000 0.000 1.064 88 C CA -2.174 56.843 59.018 -0.001 0.000 1.469 88 C CB 0.544 28.282 27.740 -0.003 0.000 1.861 88 C HN 0.260 8.490 8.230 -0.000 0.000 0.434 89 P HA -0.166 4.254 4.420 -0.000 0.000 0.219 89 P C 1.589 178.890 177.300 0.003 0.000 1.146 89 P CA 1.399 64.500 63.100 0.002 0.000 0.808 89 P CB 0.043 31.744 31.700 0.002 0.000 0.779 90 Q N -0.478 119.324 119.800 0.003 0.000 2.403 90 Q HA 0.023 4.375 4.340 0.019 0.000 0.203 90 Q C 0.638 176.641 176.000 0.005 0.000 0.932 90 Q CA 0.053 55.858 55.803 0.005 0.000 0.945 90 Q CB -1.028 27.713 28.738 0.006 0.000 1.045 90 Q HN 0.217 8.487 8.270 -0.000 0.000 0.511 91 L N 2.069 123.294 121.223 0.004 0.000 2.559 91 L HA 0.035 4.386 4.340 0.019 0.000 0.274 91 L C -0.600 176.273 176.870 0.005 0.000 1.205 91 L CA 0.079 54.921 54.840 0.004 0.000 0.907 91 L CB 0.687 42.747 42.059 0.001 0.000 1.153 91 L HN -0.082 8.148 8.230 -0.000 0.000 0.490 92 V N 6.934 126.853 119.914 0.008 0.000 2.583 92 V HA 0.288 4.420 4.120 0.019 0.000 0.287 92 V C 0.385 176.485 176.094 0.010 0.000 1.051 92 V CA -0.401 61.904 62.300 0.009 0.000 1.010 92 V CB 1.065 32.895 31.823 0.013 0.000 0.988 92 V HN 0.633 8.823 8.190 -0.000 0.000 0.478 93 L N 5.130 126.359 121.223 0.009 0.000 2.346 93 L HA 0.713 5.064 4.340 0.019 0.000 0.276 93 L C -0.650 176.230 176.870 0.017 0.000 1.006 93 L CA -0.656 54.191 54.840 0.012 0.000 0.817 93 L CB 2.073 44.135 42.059 0.004 0.000 1.272 93 L HN 0.337 8.567 8.230 -0.000 0.000 0.421 94 V N 2.060 121.992 119.914 0.030 0.000 2.656 94 V HA 0.295 4.426 4.120 0.019 0.000 0.307 94 V C -0.163 175.962 176.094 0.051 0.000 1.051 94 V CA -0.815 61.508 62.300 0.038 0.000 0.893 94 V CB 2.100 33.952 31.823 0.049 0.000 0.999 94 V HN 0.733 8.923 8.190 -0.000 0.000 0.426 95 N N 2.835 121.558 118.700 0.039 0.000 2.452 95 N HA 0.138 4.890 4.740 0.019 0.000 0.266 95 N C 0.656 176.213 175.510 0.078 0.000 1.175 95 N CA 0.586 53.662 53.050 0.044 0.000 0.945 95 N CB 1.733 40.231 38.487 0.019 0.000 1.063 95 N HN 0.939 9.319 8.380 -0.000 0.000 0.472 96 G N 2.799 111.672 108.800 0.120 0.000 3.774 96 G HA2 0.059 4.031 3.960 0.019 0.000 0.287 96 G HA3 0.059 4.031 3.960 0.019 0.000 0.287 96 G C 0.857 175.856 174.900 0.165 0.000 1.030 96 G CA -0.221 45.006 45.100 0.212 0.000 0.824 96 G HN 0.636 8.926 8.290 -0.000 0.000 0.518 97 E N 0.278 120.531 120.200 0.089 0.000 2.150 97 E HA -0.073 4.289 4.350 0.019 0.000 0.193 97 E C 0.398 177.031 176.600 0.055 0.000 0.985 97 E CA 0.465 56.911 56.400 0.077 0.000 0.814 97 E CB 0.250 29.986 29.700 0.060 0.000 0.752 97 E HN 0.284 8.644 8.360 -0.000 0.000 0.466 98 D N 0.347 120.748 120.400 0.001 0.000 2.316 98 D HA 0.040 4.692 4.640 0.019 0.000 0.245 98 D C 0.361 176.584 176.300 -0.127 0.000 1.171 98 D CA -0.048 53.929 54.000 -0.039 0.000 0.856 98 D CB 0.932 41.693 40.800 -0.066 0.000 1.090 98 D HN 0.030 8.400 8.370 -0.000 0.000 0.476 99 L N 3.100 124.309 121.223 -0.022 0.000 2.611 99 L HA 0.026 4.377 4.340 0.019 0.000 0.229 99 L C 1.948 178.794 176.870 -0.039 0.000 1.137 99 L CA -0.023 54.831 54.840 0.024 0.000 0.901 99 L CB -0.205 42.042 42.059 0.313 0.000 1.098 99 L HN 0.353 8.583 8.230 -0.000 0.000 0.456 100 T N 0.119 114.615 114.554 -0.098 0.000 2.665 100 T HA -0.215 4.146 4.350 0.019 0.000 0.268 100 T C 2.055 176.691 174.700 -0.106 0.000 1.035 100 T CA 1.603 63.673 62.100 -0.050 0.000 1.151 100 T CB -0.121 68.715 68.868 -0.054 0.000 0.862 100 T HN 0.373 8.613 8.240 -0.000 0.000 0.438 101 R N -0.273 120.057 120.500 -0.283 0.000 2.115 101 R HA 0.036 4.387 4.340 0.019 0.000 0.226 101 R C 2.328 178.537 176.300 -0.151 0.000 1.100 101 R CA 1.133 57.087 56.100 -0.243 0.000 0.980 101 R CB -0.359 29.752 30.300 -0.314 0.000 0.875 101 R HN 0.560 8.830 8.270 -0.000 0.000 0.445 102 Y N 0.035 120.302 120.300 -0.054 0.000 2.220 102 Y HA -0.110 4.451 4.550 0.020 0.000 0.291 102 Y C 2.664 178.655 175.900 0.152 0.000 1.129 102 Y CA 0.595 58.693 58.100 -0.004 0.000 1.161 102 Y CB -0.120 38.315 38.460 -0.041 0.000 0.997 102 Y HN -0.018 8.262 8.280 -0.000 0.000 0.522 103 R N 1.119 121.720 120.500 0.168 0.000 2.081 103 R HA -0.192 4.159 4.340 0.019 0.000 0.235 103 R C 1.807 178.128 176.300 0.035 0.000 1.131 103 R CA 1.935 57.924 56.100 -0.185 0.000 0.960 103 R CB -0.161 30.133 30.300 -0.010 0.000 0.856 103 R HN 0.428 8.698 8.270 -0.000 0.000 0.436 104 E N 0.073 120.327 120.200 0.090 0.000 2.051 104 E HA -0.249 4.112 4.350 0.019 0.000 0.192 104 E C 1.931 178.619 176.600 0.146 0.000 0.991 104 E CA 1.676 58.145 56.400 0.116 0.000 0.799 104 E CB -0.161 29.574 29.700 0.059 0.000 0.748 104 E HN 0.209 8.569 8.360 -0.000 0.000 0.449 105 M N 0.651 120.354 119.600 0.171 0.000 2.149 105 M HA -0.168 4.323 4.480 0.019 0.000 0.261 105 M C 2.281 178.734 176.300 0.254 0.000 1.064 105 M CA 1.367 56.815 55.300 0.246 0.000 1.102 105 M CB -0.239 32.551 32.600 0.316 0.000 1.369 105 M HN -0.024 8.266 8.290 -0.000 0.000 0.408 106 S N -1.086 114.745 115.700 0.220 0.000 2.368 106 S HA -0.176 4.305 4.470 0.019 0.000 0.225 106 S C 1.867 176.308 174.600 -0.265 0.000 1.030 106 S CA 1.370 59.493 58.200 -0.128 0.000 0.999 106 S CB -0.475 62.485 63.200 -0.401 0.000 0.844 106 S HN 0.661 8.971 8.310 -0.000 0.000 0.459 107 Y N 1.393 121.654 120.300 -0.065 0.000 2.314 107 Y HA 0.085 4.647 4.550 0.020 0.000 0.293 107 Y C 2.451 178.350 175.900 -0.002 0.000 1.129 107 Y CA 1.119 59.194 58.100 -0.041 0.000 1.201 107 Y CB -0.022 38.414 38.460 -0.039 0.000 0.999 107 Y HN 0.229 8.509 8.280 -0.000 0.000 0.541 108 K N -0.498 119.985 120.400 0.137 0.000 2.097 108 K HA -0.131 4.200 4.320 0.019 0.000 0.205 108 K C 1.981 178.622 176.600 0.068 0.000 1.050 108 K CA 1.351 57.699 56.287 0.101 0.000 0.938 108 K CB -0.381 32.175 32.500 0.095 0.000 0.718 108 K HN 0.109 8.359 8.250 -0.000 0.000 0.442 109 V N 1.311 121.244 119.914 0.032 0.000 2.261 109 V HA -0.268 3.864 4.120 0.019 0.000 0.246 109 V C 2.152 178.235 176.094 -0.018 0.000 1.047 109 V CA 2.189 64.483 62.300 -0.011 0.000 1.015 109 V CB -0.643 31.126 31.823 -0.091 0.000 0.642 109 V HN 0.395 8.585 8.190 -0.000 0.000 0.446 110 T N -0.569 113.955 114.554 -0.050 0.000 2.788 110 T HA -0.200 4.162 4.350 0.019 0.000 0.268 110 T C 1.792 176.524 174.700 0.053 0.000 1.044 110 T CA 1.637 63.721 62.100 -0.026 0.000 1.139 110 T CB -0.244 68.583 68.868 -0.068 0.000 0.867 110 T HN 0.591 8.831 8.240 -0.000 0.000 0.454 111 E N 0.613 120.863 120.200 0.083 0.000 2.106 111 E HA -0.028 4.333 4.350 0.019 0.000 0.192 111 E C 2.212 178.870 176.600 0.096 0.000 0.984 111 E CA 0.598 57.055 56.400 0.095 0.000 0.806 111 E CB -0.237 29.521 29.700 0.097 0.000 0.750 111 E HN 0.400 8.760 8.360 -0.000 0.000 0.458 112 L N 0.945 122.228 121.223 0.100 0.000 2.046 112 L HA -0.188 4.164 4.340 0.019 0.000 0.208 112 L C 2.157 179.172 176.870 0.241 0.000 1.077 112 L CA 1.179 56.105 54.840 0.144 0.000 0.747 112 L CB -0.089 42.050 42.059 0.133 0.000 0.896 112 L HN 0.136 8.366 8.230 -0.000 0.000 0.432 113 L N -0.295 121.028 121.223 0.166 0.000 2.131 113 L HA -0.199 4.152 4.340 0.019 0.000 0.210 113 L C 2.437 179.443 176.870 0.227 0.000 1.092 113 L CA 1.332 56.278 54.840 0.177 0.000 0.759 113 L CB -0.617 41.456 42.059 0.025 0.000 0.903 113 L HN 0.338 8.568 8.230 -0.000 0.000 0.435 114 E N -0.098 120.193 120.200 0.150 0.000 2.268 114 E HA -0.245 4.116 4.350 0.019 0.000 0.195 114 E C 1.970 178.638 176.600 0.113 0.000 0.995 114 E CA 0.720 57.192 56.400 0.121 0.000 0.836 114 E CB 0.028 29.782 29.700 0.089 0.000 0.763 114 E HN 0.461 8.821 8.360 -0.000 0.000 0.491 115 E N 0.014 120.280 120.200 0.111 0.000 2.208 115 E HA -0.156 4.205 4.350 0.019 0.000 0.193 115 E C 1.341 177.902 176.600 -0.064 0.000 0.988 115 E CA 0.565 56.969 56.400 0.006 0.000 0.828 115 E CB 0.065 29.742 29.700 -0.038 0.000 0.763 115 E HN 0.177 8.537 8.360 -0.000 0.000 0.478 116 F N 0.424 120.385 119.950 0.018 0.000 2.060 116 F HA 0.021 4.560 4.527 0.020 0.000 0.295 116 F C 1.323 177.135 175.800 0.020 0.000 1.120 116 F CA 0.774 58.785 58.000 0.018 0.000 1.205 116 F CB 0.101 39.112 39.000 0.017 0.000 0.986 116 F HN -0.184 8.116 8.300 -0.000 0.000 0.470 117 S N -1.034 114.799 115.700 0.222 0.000 2.543 117 S HA 0.296 4.777 4.470 0.019 0.000 0.271 117 S C -2.131 172.532 174.600 0.106 0.000 1.148 117 S CA -1.119 57.160 58.200 0.131 0.000 0.914 117 S CB 1.713 64.992 63.200 0.131 0.000 1.096 117 S HN -0.212 8.098 8.310 -0.000 0.000 0.471 118 P HA 0.066 4.486 4.420 -0.000 0.000 0.231 118 P C 0.091 177.431 177.300 0.068 0.000 1.168 118 P CA 0.442 63.583 63.100 0.068 0.000 0.779 118 P CB -0.012 31.719 31.700 0.051 0.000 0.844 119 V N 2.032 121.986 119.914 0.067 0.000 2.313 119 V HA 0.108 4.239 4.120 0.019 0.000 0.252 119 V C 0.304 176.445 176.094 0.078 0.000 1.112 119 V CA -0.123 62.215 62.300 0.064 0.000 0.984 119 V CB 0.553 32.408 31.823 0.053 0.000 1.157 119 V HN -0.186 8.004 8.190 -0.000 0.000 0.493 120 V N 4.225 124.187 119.914 0.080 0.000 2.444 120 V HA 0.422 4.553 4.120 0.019 0.000 0.294 120 V C -0.050 176.102 176.094 0.097 0.000 1.022 120 V CA -0.681 61.672 62.300 0.089 0.000 0.850 120 V CB 2.007 33.873 31.823 0.072 0.000 0.992 120 V HN 0.855 9.045 8.190 -0.000 0.000 0.426 121 E N 4.611 124.895 120.200 0.141 0.000 2.133 121 E HA 0.489 4.850 4.350 0.019 0.000 0.274 121 E C -0.367 176.338 176.600 0.175 0.000 0.930 121 E CA -0.755 55.741 56.400 0.160 0.000 0.770 121 E CB 1.093 30.909 29.700 0.194 0.000 1.104 121 E HN 0.564 8.924 8.360 -0.000 0.000 0.403 122 R N 3.390 123.951 120.500 0.103 0.000 2.410 122 R HA 0.408 4.759 4.340 0.019 0.000 0.288 122 R C -0.535 175.829 176.300 0.105 0.000 1.051 122 R CA -0.424 55.703 56.100 0.045 0.000 1.021 122 R CB 0.916 31.204 30.300 -0.021 0.000 1.032 122 R HN 0.468 8.738 8.270 -0.000 0.000 0.481 123 L N 3.227 124.497 121.223 0.078 0.000 2.415 123 L HA 0.360 4.711 4.340 0.019 0.000 0.268 123 L C 0.204 177.108 176.870 0.058 0.000 0.984 123 L CA 0.083 54.992 54.840 0.115 0.000 0.853 123 L CB 1.195 43.377 42.059 0.205 0.000 1.215 123 L HN 0.957 9.187 8.230 -0.000 0.000 0.419 124 G N 3.161 112.008 108.800 0.079 0.000 2.641 124 G HA2 -0.343 3.628 3.960 0.019 0.000 0.254 124 G HA3 -0.343 3.628 3.960 0.019 0.000 0.254 124 G C 0.236 175.267 174.900 0.218 0.000 1.315 124 G CA 0.576 45.734 45.100 0.097 0.000 0.907 124 G HN 0.622 8.912 8.290 -0.000 0.000 0.572 125 F N 0.691 120.602 119.950 -0.066 0.000 2.754 125 F HA 0.171 4.709 4.527 0.018 0.000 0.297 125 F C 2.101 177.664 175.800 -0.394 0.000 1.122 125 F CA 0.667 58.598 58.000 -0.115 0.000 1.400 125 F CB 0.361 39.469 39.000 0.181 0.000 1.117 125 F HN 0.491 8.791 8.300 -0.000 0.000 0.587 126 D N -1.578 118.707 120.400 -0.192 0.000 2.503 126 D HA 0.082 4.733 4.640 0.019 0.000 0.218 126 D C -0.155 175.934 176.300 -0.352 0.000 1.183 126 D CA 0.052 53.769 54.000 -0.472 0.000 0.827 126 D CB -0.232 40.337 40.800 -0.386 0.000 1.034 126 D HN 0.127 8.497 8.370 -0.000 0.000 0.510 127 E N 0.028 120.064 120.200 -0.272 0.000 2.266 127 E HA 0.483 4.844 4.350 0.019 0.000 0.268 127 E C -0.836 175.575 176.600 -0.315 0.000 0.879 127 E CA -0.901 55.286 56.400 -0.354 0.000 0.762 127 E CB 1.735 31.300 29.700 -0.224 0.000 1.199 127 E HN 0.005 8.365 8.360 -0.000 0.000 0.422 128 N N 1.839 120.286 118.700 -0.421 0.000 2.242 128 N HA 0.405 5.157 4.740 0.019 0.000 0.292 128 N C -1.412 173.905 175.510 -0.322 0.000 1.125 128 N CA -0.488 52.412 53.050 -0.250 0.000 0.783 128 N CB 1.615 39.998 38.487 -0.174 0.000 1.558 128 N HN 0.218 8.598 8.380 -0.000 0.000 0.472 129 F N 0.551 120.517 119.950 0.027 0.000 2.450 129 F HA 0.544 5.083 4.527 0.019 0.000 0.332 129 F C 0.345 176.156 175.800 0.018 0.000 1.093 129 F CA -0.743 57.288 58.000 0.052 0.000 1.003 129 F CB 1.560 40.601 39.000 0.069 0.000 1.151 129 F HN -0.029 8.271 8.300 -0.000 0.000 0.474 130 V N 1.329 121.361 119.914 0.198 0.000 2.656 130 V HA 0.279 4.410 4.120 0.019 0.000 0.307 130 V C -0.951 175.212 176.094 0.115 0.000 1.051 130 V CA -0.933 61.440 62.300 0.121 0.000 0.893 130 V CB 1.923 33.781 31.823 0.057 0.000 0.999 130 V HN 0.632 8.822 8.190 -0.000 0.000 0.426 131 D N 3.660 124.115 120.400 0.092 0.000 2.347 131 D HA 0.316 4.967 4.640 0.019 0.000 0.235 131 D C 0.515 176.854 176.300 0.066 0.000 1.149 131 D CA -0.096 53.947 54.000 0.071 0.000 0.850 131 D CB 1.542 42.372 40.800 0.050 0.000 1.061 131 D HN 0.513 8.883 8.370 -0.000 0.000 0.487 132 L N 3.062 124.322 121.223 0.061 0.000 2.607 132 L HA 0.024 4.376 4.340 0.019 0.000 0.228 132 L C 2.027 178.929 176.870 0.052 0.000 1.123 132 L CA -0.046 54.830 54.840 0.060 0.000 0.890 132 L CB -0.071 42.020 42.059 0.054 0.000 1.103 132 L HN 0.341 8.571 8.230 -0.000 0.000 0.468 133 T N -0.089 114.492 114.554 0.045 0.000 2.665 133 T HA -0.240 4.121 4.350 0.019 0.000 0.268 133 T C 1.698 176.420 174.700 0.037 0.000 1.035 133 T CA 1.679 63.802 62.100 0.038 0.000 1.151 133 T CB -0.064 68.823 68.868 0.032 0.000 0.862 133 T HN 0.411 8.651 8.240 -0.000 0.000 0.438 134 E N 0.271 120.494 120.200 0.038 0.000 2.072 134 E HA -0.026 4.336 4.350 0.019 0.000 0.191 134 E C 2.201 178.825 176.600 0.039 0.000 0.985 134 E CA 0.757 57.177 56.400 0.035 0.000 0.801 134 E CB -0.205 29.515 29.700 0.034 0.000 0.750 134 E HN 0.433 8.793 8.360 -0.000 0.000 0.452 135 M N 0.551 120.180 119.600 0.050 0.000 2.117 135 M HA -0.173 4.318 4.480 0.019 0.000 0.262 135 M C 2.184 178.516 176.300 0.052 0.000 1.065 135 M CA 1.225 56.559 55.300 0.057 0.000 1.114 135 M CB 0.099 32.748 32.600 0.081 0.000 1.361 135 M HN -0.022 8.268 8.290 -0.000 0.000 0.408 136 V N 0.680 120.623 119.914 0.049 0.000 2.287 136 V HA -0.263 3.868 4.120 0.019 0.000 0.248 136 V C 2.346 178.462 176.094 0.036 0.000 1.053 136 V CA 1.888 64.214 62.300 0.043 0.000 1.027 136 V CB -0.865 30.983 31.823 0.042 0.000 0.646 136 V HN 0.473 8.663 8.190 -0.000 0.000 0.447 137 E N 0.058 120.277 120.200 0.033 0.000 2.118 137 E HA -0.247 4.114 4.350 0.019 0.000 0.195 137 E C 2.200 178.815 176.600 0.025 0.000 0.992 137 E CA 1.296 57.712 56.400 0.027 0.000 0.804 137 E CB -0.265 29.450 29.700 0.025 0.000 0.741 137 E HN 0.577 8.937 8.360 -0.000 0.000 0.458 138 K N 0.884 121.300 120.400 0.027 0.000 2.057 138 K HA -0.094 4.238 4.320 0.019 0.000 0.206 138 K C 2.189 178.804 176.600 0.024 0.000 1.050 138 K CA 0.853 57.154 56.287 0.024 0.000 0.935 138 K CB 0.084 32.599 32.500 0.025 0.000 0.715 138 K HN -0.037 8.213 8.250 -0.000 0.000 0.439 139 R N 0.470 120.987 120.500 0.029 0.000 2.081 139 R HA -0.081 4.271 4.340 0.019 0.000 0.235 139 R C 2.446 178.761 176.300 0.024 0.000 1.131 139 R CA 1.282 57.399 56.100 0.028 0.000 0.960 139 R CB -0.375 29.947 30.300 0.035 0.000 0.856 139 R HN 0.218 8.488 8.270 -0.000 0.000 0.436 140 L N 0.678 121.916 121.223 0.025 0.000 2.083 140 L HA -0.217 4.135 4.340 0.019 0.000 0.209 140 L C 2.411 179.291 176.870 0.018 0.000 1.083 140 L CA 1.408 56.261 54.840 0.022 0.000 0.752 140 L CB -0.397 41.675 42.059 0.023 0.000 0.899 140 L HN 0.224 8.454 8.230 -0.000 0.000 0.433 141 Q N -0.716 119.094 119.800 0.017 0.000 2.291 141 Q HA -0.235 4.117 4.340 0.019 0.000 0.206 141 Q C 2.166 178.173 176.000 0.013 0.000 0.976 141 Q CA 1.094 56.906 55.803 0.014 0.000 0.875 141 Q CB 0.045 28.791 28.738 0.013 0.000 0.927 141 Q HN 0.342 8.612 8.270 -0.000 0.000 0.450 142 Q N -0.225 119.584 119.800 0.014 0.000 2.311 142 Q HA 0.080 4.432 4.340 0.019 0.000 0.203 142 Q C 0.021 176.028 176.000 0.011 0.000 0.954 142 Q CA 0.569 56.380 55.803 0.012 0.000 0.885 142 Q CB 0.246 28.992 28.738 0.013 0.000 0.963 142 Q HN 0.326 8.596 8.270 -0.000 0.000 0.471 143 L N 1.203 122.433 121.223 0.013 0.000 2.397 143 L HA 0.089 4.440 4.340 0.019 0.000 0.271 143 L C 1.129 178.005 176.870 0.010 0.000 1.148 143 L CA 0.012 54.859 54.840 0.012 0.000 0.825 143 L CB 0.638 42.706 42.059 0.014 0.000 1.117 143 L HN 0.126 8.356 8.230 -0.000 0.000 0.456 144 Q N 0.940 120.745 119.800 0.009 0.000 2.403 144 Q HA -0.031 4.321 4.340 0.019 0.000 0.203 144 Q C 1.012 177.016 176.000 0.007 0.000 0.932 144 Q CA 0.707 56.515 55.803 0.007 0.000 0.945 144 Q CB 0.312 29.054 28.738 0.006 0.000 1.045 144 Q HN 0.953 9.223 8.270 -0.000 0.000 0.511 145 S N -0.483 115.222 115.700 0.008 0.000 2.765 145 S HA -0.153 4.328 4.470 0.019 0.000 0.266 145 S C 0.405 175.009 174.600 0.006 0.000 1.302 145 S CA 1.244 59.448 58.200 0.007 0.000 1.274 145 S CB -1.948 61.255 63.200 0.006 0.000 1.559 145 S HN 0.636 8.946 8.310 -0.000 0.000 0.658 146 D N 0.654 121.058 120.400 0.006 0.000 2.513 146 D HA 0.258 4.909 4.640 0.019 0.000 0.222 146 D C 0.883 177.186 176.300 0.006 0.000 1.210 146 D CA 0.213 54.216 54.000 0.005 0.000 0.825 146 D CB -0.172 40.630 40.800 0.004 0.000 1.037 146 D HN 0.702 9.072 8.370 -0.000 0.000 0.506 147 E N -0.257 119.947 120.200 0.007 0.000 2.541 147 E HA 0.102 4.464 4.350 0.019 0.000 0.219 147 E C 1.404 178.010 176.600 0.010 0.000 0.922 147 E CA -0.306 56.099 56.400 0.008 0.000 1.095 147 E CB 0.578 30.283 29.700 0.008 0.000 1.112 147 E HN -0.019 8.341 8.360 -0.000 0.000 0.516 148 L N 1.712 122.941 121.223 0.011 0.000 2.083 148 L HA -0.097 4.254 4.340 0.019 0.000 0.209 148 L C 2.069 178.948 176.870 0.014 0.000 1.083 148 L CA 1.761 56.609 54.840 0.013 0.000 0.752 148 L CB -0.304 41.762 42.059 0.012 0.000 0.899 148 L HN -0.042 8.188 8.230 -0.000 0.000 0.433 149 S N -0.629 115.077 115.700 0.011 0.000 2.474 149 S HA -0.035 4.446 4.470 0.019 0.000 0.235 149 S C 1.837 176.444 174.600 0.011 0.000 0.997 149 S CA 0.773 58.979 58.200 0.011 0.000 0.949 149 S CB -0.417 62.788 63.200 0.008 0.000 0.766 149 S HN 0.516 8.826 8.310 -0.000 0.000 0.517 150 A N 1.012 123.838 122.820 0.010 0.000 2.275 150 A HA 0.382 4.714 4.320 0.019 0.000 0.212 150 A C 0.782 178.372 177.584 0.009 0.000 1.201 150 A CA -0.207 51.835 52.037 0.008 0.000 0.843 150 A CB -0.161 18.843 19.000 0.006 0.000 0.873 150 A HN 0.265 8.415 8.150 -0.000 0.000 0.492 151 V N 2.464 122.386 119.914 0.013 0.000 2.557 151 V HA 0.249 4.380 4.120 0.019 0.000 0.301 151 V C 0.815 176.916 176.094 0.012 0.000 1.026 151 V CA 0.982 63.291 62.300 0.015 0.000 1.137 151 V CB 0.252 32.088 31.823 0.023 0.000 0.917 151 V HN 0.628 8.818 8.190 -0.000 0.000 0.484 152 T N 2.168 116.725 114.554 0.005 0.000 2.916 152 T HA 0.625 4.986 4.350 0.019 0.000 0.292 152 T C -0.462 174.233 174.700 -0.009 0.000 1.055 152 T CA -0.765 61.333 62.100 -0.003 0.000 1.009 152 T CB 1.775 70.635 68.868 -0.012 0.000 1.118 152 T HN 0.422 8.662 8.240 -0.000 0.000 0.497 153 V N 1.524 121.426 119.914 -0.019 0.000 2.775 153 V HA 0.542 4.674 4.120 0.019 0.000 0.299 153 V C 0.317 176.385 176.094 -0.044 0.000 1.062 153 V CA -0.058 62.225 62.300 -0.028 0.000 1.063 153 V CB 1.487 33.287 31.823 -0.038 0.000 0.994 153 V HN 1.136 9.326 8.190 -0.000 0.000 0.483 154 S N 4.595 120.269 115.700 -0.043 0.000 2.433 154 S HA 0.733 5.214 4.470 0.019 0.000 0.310 154 S C 0.089 174.639 174.600 -0.084 0.000 1.097 154 S CA 0.492 58.656 58.200 -0.061 0.000 1.103 154 S CB 0.137 63.312 63.200 -0.041 0.000 0.992 154 S HN 2.219 10.529 8.310 -0.000 0.000 0.469 155 G N 4.189 112.900 108.800 -0.150 0.000 2.568 155 G HA2 -0.139 3.832 3.960 0.019 0.000 0.222 155 G HA3 -0.139 3.832 3.960 0.019 0.000 0.222 155 G C -0.802 173.921 174.900 -0.294 0.000 1.321 155 G CA -0.668 44.290 45.100 -0.237 0.000 0.893 155 G HN 0.877 9.167 8.290 -0.000 0.000 0.569 156 H N -0.703 118.264 119.070 -0.171 0.000 2.562 156 H HA 0.456 5.011 4.556 -0.001 0.000 0.352 156 H C 0.117 175.409 175.328 -0.059 0.000 1.125 156 H CA 0.266 56.184 56.048 -0.218 0.000 1.379 156 H CB 1.377 30.838 29.762 -0.502 0.000 1.464 156 H HN 0.398 8.678 8.280 -0.000 0.000 0.563 157 V N 3.832 123.789 119.914 0.073 0.000 2.394 157 V HA -0.008 4.123 4.120 0.019 0.000 0.282 157 V C -0.060 176.125 176.094 0.152 0.000 1.031 157 V CA -0.758 61.594 62.300 0.086 0.000 0.881 157 V CB 0.704 32.533 31.823 0.010 0.000 0.982 157 V HN 0.627 8.817 8.190 -0.000 0.000 0.451 158 Y N 5.785 126.139 120.300 0.090 0.000 2.717 158 Y HA 0.012 4.576 4.550 0.023 0.000 0.330 158 Y C 1.320 177.232 175.900 0.021 0.000 1.217 158 Y CA 1.283 59.444 58.100 0.100 0.000 1.506 158 Y CB 0.089 38.588 38.460 0.066 0.000 1.268 158 Y HN 0.922 9.202 8.280 -0.000 0.000 0.561 159 N N 3.741 121.954 118.700 -0.813 0.000 2.741 159 N HA -0.368 4.383 4.740 0.019 0.000 0.251 159 N C -0.203 175.119 175.510 -0.313 0.000 1.112 159 N CA 1.349 53.949 53.050 -0.749 0.000 0.750 159 N CB -1.594 36.333 38.487 -0.933 0.000 1.119 159 N HN 0.912 9.292 8.380 -0.000 0.000 0.561 160 N N -0.949 117.660 118.700 -0.152 0.000 2.708 160 N HA -0.289 4.462 4.740 0.019 0.000 0.249 160 N C -0.466 175.003 175.510 -0.068 0.000 1.097 160 N CA 1.245 54.251 53.050 -0.073 0.000 0.710 160 N CB -0.583 37.867 38.487 -0.063 0.000 1.032 160 N HN 0.762 9.143 8.380 -0.000 0.000 0.551 161 Q N 0.401 120.160 119.800 -0.069 0.000 2.352 161 Q HA 0.189 4.540 4.340 0.019 0.000 0.260 161 Q C -0.386 175.598 176.000 -0.026 0.000 0.976 161 Q CA 0.029 55.803 55.803 -0.047 0.000 0.881 161 Q CB 0.687 29.403 28.738 -0.037 0.000 1.235 161 Q HN 0.153 8.423 8.270 -0.000 0.000 0.419 162 S N 3.339 119.041 115.700 0.002 0.000 2.533 162 S HA 0.163 4.644 4.470 0.019 0.000 0.282 162 S C 0.087 174.722 174.600 0.058 0.000 1.304 162 S CA -0.256 57.960 58.200 0.026 0.000 1.063 162 S CB 0.166 63.391 63.200 0.041 0.000 0.881 162 S HN 0.458 8.768 8.310 -0.000 0.000 0.493 163 I N 3.624 124.228 120.570 0.057 0.000 2.428 163 I HA 0.175 4.356 4.170 0.019 0.000 0.289 163 I C 0.503 176.754 176.117 0.223 0.000 1.019 163 I CA -0.321 61.059 61.300 0.132 0.000 1.351 163 I CB 0.632 38.669 38.000 0.061 0.000 1.412 163 I HN 0.450 8.660 8.210 -0.000 0.000 0.513 164 N N 6.625 125.579 118.700 0.424 0.000 2.511 164 N HA 0.274 5.025 4.740 0.019 0.000 0.249 164 N C 0.372 175.925 175.510 0.070 0.000 0.971 164 N CA -0.294 52.826 53.050 0.115 0.000 0.938 164 N CB 1.226 39.673 38.487 -0.066 0.000 1.131 164 N HN 0.581 8.961 8.380 -0.000 0.000 0.505 165 L N 2.924 124.181 121.223 0.057 0.000 2.456 165 L HA 0.009 4.360 4.340 0.019 0.000 0.224 165 L C 1.498 178.375 176.870 0.011 0.000 1.148 165 L CA 0.708 55.573 54.840 0.043 0.000 0.825 165 L CB 0.032 42.110 42.059 0.032 0.000 0.937 165 L HN 0.514 8.744 8.230 -0.000 0.000 0.450 166 L N -1.179 120.036 121.223 -0.015 0.000 2.592 166 L HA 0.083 4.434 4.340 0.019 0.000 0.227 166 L C 0.532 177.368 176.870 -0.057 0.000 1.127 166 L CA -0.008 54.815 54.840 -0.028 0.000 0.884 166 L CB -0.147 41.896 42.059 -0.026 0.000 1.065 166 L HN 0.108 8.338 8.230 -0.000 0.000 0.457 167 D N 0.799 121.137 120.400 -0.104 0.000 2.347 167 D HA 0.093 4.745 4.640 0.019 0.000 0.235 167 D C 1.315 177.574 176.300 -0.068 0.000 1.149 167 D CA -0.120 53.778 54.000 -0.169 0.000 0.850 167 D CB 2.021 42.531 40.800 -0.485 0.000 1.061 167 D HN -0.015 8.355 8.370 -0.000 0.000 0.487 168 V N 3.051 122.946 119.914 -0.032 0.000 2.469 168 V HA -0.230 3.901 4.120 0.019 0.000 0.251 168 V C 2.181 178.297 176.094 0.038 0.000 1.064 168 V CA 1.153 63.458 62.300 0.008 0.000 1.066 168 V CB -0.826 31.000 31.823 0.006 0.000 0.667 168 V HN 0.531 8.721 8.190 -0.000 0.000 0.461 169 L N -0.667 120.581 121.223 0.043 0.000 2.093 169 L HA -0.071 4.280 4.340 0.019 0.000 0.208 169 L C 2.839 179.823 176.870 0.189 0.000 1.085 169 L CA 1.758 56.659 54.840 0.101 0.000 0.755 169 L CB -0.909 41.217 42.059 0.110 0.000 0.904 169 L HN 0.339 8.569 8.230 -0.000 0.000 0.435 170 H N -0.184 118.900 119.070 0.023 0.000 2.326 170 H HA -0.104 4.464 4.556 0.021 0.000 0.301 170 H C 2.275 177.616 175.328 0.021 0.000 1.081 170 H CA 1.181 57.243 56.048 0.024 0.000 1.334 170 H CB -0.171 29.605 29.762 0.022 0.000 1.385 170 H HN 0.076 8.356 8.280 -0.000 0.000 0.504 171 I N 0.822 121.484 120.570 0.153 0.000 2.194 171 I HA -0.271 3.910 4.170 0.019 0.000 0.246 171 I C 2.259 178.415 176.117 0.065 0.000 1.093 171 I CA 1.333 62.684 61.300 0.084 0.000 1.355 171 I CB -0.785 37.248 38.000 0.056 0.000 1.046 171 I HN 0.238 8.448 8.210 -0.000 0.000 0.413 172 R N 0.349 120.889 120.500 0.066 0.000 2.081 172 R HA -0.107 4.244 4.340 0.019 0.000 0.235 172 R C 2.374 178.705 176.300 0.051 0.000 1.131 172 R CA 1.059 57.191 56.100 0.053 0.000 0.960 172 R CB -0.370 29.960 30.300 0.050 0.000 0.856 172 R HN 0.302 8.572 8.270 -0.000 0.000 0.436 173 L N 0.458 121.715 121.223 0.057 0.000 2.093 173 L HA -0.144 4.207 4.340 0.019 0.000 0.208 173 L C 2.260 179.148 176.870 0.029 0.000 1.085 173 L CA 1.014 55.879 54.840 0.041 0.000 0.755 173 L CB -0.384 41.695 42.059 0.033 0.000 0.904 173 L HN 0.190 8.420 8.230 -0.000 0.000 0.435 174 L N -1.037 120.205 121.223 0.031 0.000 2.046 174 L HA -0.185 4.166 4.340 0.019 0.000 0.208 174 L C 2.533 179.416 176.870 0.022 0.000 1.077 174 L CA 0.894 55.746 54.840 0.020 0.000 0.747 174 L CB -0.601 41.472 42.059 0.024 0.000 0.896 174 L HN 0.097 8.327 8.230 -0.000 0.000 0.432 175 V N 0.324 120.257 119.914 0.030 0.000 2.427 175 V HA -0.179 3.952 4.120 0.019 0.000 0.248 175 V C 2.667 178.780 176.094 0.030 0.000 1.051 175 V CA 1.831 64.149 62.300 0.031 0.000 1.048 175 V CB -1.154 30.691 31.823 0.035 0.000 0.666 175 V HN 0.563 8.753 8.190 -0.000 0.000 0.456 176 G N 0.522 109.341 108.800 0.030 0.000 2.476 176 G HA2 -0.340 3.632 3.960 0.019 0.000 0.218 176 G HA3 -0.340 3.632 3.960 0.019 0.000 0.218 176 G C 1.895 176.803 174.900 0.013 0.000 1.164 176 G CA 1.571 46.686 45.100 0.026 0.000 0.768 176 G HN 0.654 8.944 8.290 -0.000 0.000 0.560 177 S N 0.186 115.893 115.700 0.011 0.000 2.382 177 S HA -0.162 4.320 4.470 0.019 0.000 0.228 177 S C 2.222 176.818 174.600 -0.007 0.000 1.027 177 S CA 1.730 59.930 58.200 0.000 0.000 0.991 177 S CB -0.409 62.791 63.200 -0.001 0.000 0.823 177 S HN 0.577 8.887 8.310 -0.000 0.000 0.469 178 Q N 0.685 120.488 119.800 0.004 0.000 2.079 178 Q HA 0.088 4.440 4.340 0.019 0.000 0.200 178 Q C 2.268 178.277 176.000 0.016 0.000 0.974 178 Q CA 1.621 57.430 55.803 0.009 0.000 0.840 178 Q CB -0.429 28.321 28.738 0.020 0.000 0.898 178 Q HN 0.614 8.884 8.270 -0.000 0.000 0.430 179 I N 0.747 121.330 120.570 0.021 0.000 2.226 179 I HA -0.277 3.905 4.170 0.019 0.000 0.245 179 I C 2.437 178.504 176.117 -0.084 0.000 1.100 179 I CA 0.932 62.245 61.300 0.021 0.000 1.374 179 I CB -0.410 37.616 38.000 0.044 0.000 1.057 179 I HN 0.163 8.373 8.210 -0.000 0.000 0.413 180 A N 0.830 123.602 122.820 -0.080 0.000 1.908 180 A HA -0.225 4.106 4.320 0.019 0.000 0.218 180 A C 2.557 180.076 177.584 -0.110 0.000 1.181 180 A CA 2.048 54.015 52.037 -0.117 0.000 0.627 180 A CB -0.926 18.035 19.000 -0.066 0.000 0.818 180 A HN 0.440 8.590 8.150 -0.000 0.000 0.445 181 A N -0.235 122.549 122.820 -0.060 0.000 1.908 181 A HA -0.203 4.128 4.320 0.019 0.000 0.218 181 A C 1.906 179.474 177.584 -0.026 0.000 1.181 181 A CA 1.771 53.784 52.037 -0.041 0.000 0.627 181 A CB -0.600 18.385 19.000 -0.025 0.000 0.818 181 A HN 0.652 8.802 8.150 -0.000 0.000 0.445 182 E N -0.657 119.541 120.200 -0.003 0.000 2.085 182 E HA -0.211 4.151 4.350 0.019 0.000 0.194 182 E C 2.102 178.712 176.600 0.016 0.000 0.994 182 E CA 1.619 58.068 56.400 0.081 0.000 0.801 182 E CB -0.299 29.537 29.700 0.227 0.000 0.743 182 E HN 0.672 9.032 8.360 -0.000 0.000 0.453 183 M N 0.132 119.539 119.600 -0.323 0.000 2.117 183 M HA -0.163 4.328 4.480 0.019 0.000 0.262 183 M C 2.311 178.510 176.300 -0.167 0.000 1.065 183 M CA 1.473 56.447 55.300 -0.543 0.000 1.114 183 M CB -0.175 31.994 32.600 -0.718 0.000 1.361 183 M HN 0.003 8.293 8.290 -0.000 0.000 0.408 184 R N -0.092 120.341 120.500 -0.112 0.000 2.081 184 R HA -0.169 4.182 4.340 0.019 0.000 0.235 184 R C 2.118 178.443 176.300 0.043 0.000 1.131 184 R CA 1.572 57.650 56.100 -0.037 0.000 0.960 184 R CB -0.431 29.842 30.300 -0.045 0.000 0.856 184 R HN 0.488 8.758 8.270 -0.000 0.000 0.436 185 E N 0.602 120.834 120.200 0.052 0.000 2.110 185 E HA -0.172 4.189 4.350 0.019 0.000 0.193 185 E C 1.840 178.528 176.600 0.146 0.000 0.988 185 E CA 1.200 57.665 56.400 0.109 0.000 0.804 185 E CB 0.021 29.773 29.700 0.088 0.000 0.745 185 E HN 0.358 8.718 8.360 -0.000 0.000 0.458 186 A N 0.469 123.376 122.820 0.144 0.000 1.929 186 A HA -0.091 4.240 4.320 0.019 0.000 0.216 186 A C 2.142 179.803 177.584 0.128 0.000 1.176 186 A CA 1.143 53.279 52.037 0.167 0.000 0.628 186 A CB -0.356 18.824 19.000 0.300 0.000 0.816 186 A HN 0.276 8.426 8.150 -0.000 0.000 0.444 187 M N -2.244 117.422 119.600 0.110 0.000 2.175 187 M HA -0.108 4.384 4.480 0.019 0.000 0.264 187 M C 2.199 178.566 176.300 0.112 0.000 1.063 187 M CA 1.601 56.957 55.300 0.093 0.000 1.119 187 M CB -0.372 32.267 32.600 0.065 0.000 1.377 187 M HN 0.603 8.893 8.290 -0.000 0.000 0.415 188 Y N 1.513 121.832 120.300 0.032 0.000 2.163 188 Y HA -0.193 4.372 4.550 0.025 0.000 0.288 188 Y C 2.151 178.073 175.900 0.037 0.000 1.136 188 Y CA 1.644 59.763 58.100 0.032 0.000 1.147 188 Y CB -0.358 38.114 38.460 0.020 0.000 0.987 188 Y HN 0.236 8.516 8.280 -0.000 0.000 0.509 189 N N -0.016 118.684 118.700 -0.000 0.000 2.244 189 N HA -0.141 4.610 4.740 0.019 0.000 0.183 189 N C 1.599 177.058 175.510 -0.084 0.000 1.016 189 N CA 1.604 54.616 53.050 -0.063 0.000 0.866 189 N CB -0.233 38.282 38.487 0.047 0.000 0.980 189 N HN 0.589 8.969 8.380 -0.000 0.000 0.430 190 Q N -0.625 119.156 119.800 -0.032 0.000 2.373 190 Q HA 0.255 4.606 4.340 0.019 0.000 0.210 190 Q C 1.294 177.279 176.000 -0.025 0.000 0.913 190 Q CA 0.398 56.192 55.803 -0.015 0.000 0.911 190 Q CB 0.746 29.501 28.738 0.028 0.000 1.040 190 Q HN 0.275 8.545 8.270 -0.000 0.000 0.521 191 L N -1.898 119.307 121.223 -0.029 0.000 2.920 191 L HA 0.359 4.710 4.340 0.019 0.000 0.257 191 L C 0.920 177.767 176.870 -0.039 0.000 1.150 191 L CA 0.335 55.172 54.840 -0.006 0.000 0.959 191 L CB 0.922 43.012 42.059 0.051 0.000 1.321 191 L HN 0.306 8.536 8.230 -0.000 0.000 0.555 192 G N 1.314 110.019 108.800 -0.159 0.000 2.143 192 G HA2 -0.257 3.715 3.960 0.019 0.000 0.249 192 G HA3 -0.257 3.715 3.960 0.019 0.000 0.249 192 G C -0.005 174.904 174.900 0.016 0.000 0.981 192 G CA 0.006 44.967 45.100 -0.233 0.000 0.665 192 G HN 0.193 8.483 8.290 -0.000 0.000 0.528 193 L N 1.379 122.680 121.223 0.131 0.000 2.317 193 L HA 0.707 5.058 4.340 0.019 0.000 0.281 193 L C 0.917 177.959 176.870 0.286 0.000 1.024 193 L CA -0.422 54.552 54.840 0.224 0.000 0.810 193 L CB 1.983 44.162 42.059 0.199 0.000 1.240 193 L HN 0.312 8.542 8.230 -0.000 0.000 0.427 194 T N -0.780 113.907 114.554 0.222 0.000 2.945 194 T HA 0.905 5.266 4.350 0.019 0.000 0.286 194 T C -0.026 174.712 174.700 0.064 0.000 1.025 194 T CA -0.573 61.594 62.100 0.112 0.000 1.039 194 T CB 2.212 71.096 68.868 0.028 0.000 1.068 194 T HN 0.828 9.068 8.240 -0.000 0.000 0.497 195 G N -0.761 108.044 108.800 0.008 0.000 2.550 195 G HA2 0.518 4.489 3.960 0.019 0.000 0.293 195 G HA3 0.518 4.489 3.960 0.019 0.000 0.293 195 G C -1.286 173.590 174.900 -0.040 0.000 1.402 195 G CA -0.728 44.362 45.100 -0.016 0.000 0.784 195 G HN 1.001 9.291 8.290 -0.000 0.000 0.482 196 C N -0.467 118.805 119.300 -0.048 0.000 2.401 196 C HA 1.001 5.473 4.460 0.019 0.000 0.356 196 C C 0.733 175.686 174.990 -0.060 0.000 1.192 196 C CA 0.338 59.339 59.018 -0.028 0.000 2.028 196 C CB 0.957 28.702 27.740 0.009 0.000 2.344 196 C HN 1.241 9.471 8.230 -0.000 0.000 0.525 197 A N 0.366 123.172 122.820 -0.022 0.000 2.539 197 A HA 0.900 5.232 4.320 0.019 0.000 0.296 197 A C -0.591 177.013 177.584 0.035 0.000 1.073 197 A CA -0.187 51.829 52.037 -0.035 0.000 0.700 197 A CB 1.307 20.271 19.000 -0.058 0.000 1.296 197 A HN 1.303 9.453 8.150 -0.000 0.000 0.405 198 G N -0.263 108.572 108.800 0.058 0.000 2.566 198 G HA2 0.587 4.558 3.960 0.019 0.000 0.311 198 G HA3 0.587 4.558 3.960 0.019 0.000 0.311 198 G C -1.501 173.442 174.900 0.072 0.000 1.322 198 G CA -0.448 44.701 45.100 0.082 0.000 0.969 198 G HN 0.963 9.253 8.290 -0.000 0.000 0.490 199 V N 1.011 120.961 119.914 0.059 0.000 2.487 199 V HA 0.880 5.011 4.120 0.019 0.000 0.298 199 V C 0.285 176.406 176.094 0.046 0.000 1.028 199 V CA -0.047 62.285 62.300 0.052 0.000 0.860 199 V CB 0.901 32.746 31.823 0.037 0.000 0.991 199 V HN 1.308 9.498 8.190 -0.000 0.000 0.427 200 A N 3.212 126.061 122.820 0.049 0.000 2.557 200 A HA 0.708 5.039 4.320 0.019 0.000 0.292 200 A C 0.560 178.166 177.584 0.037 0.000 1.139 200 A CA 0.226 52.283 52.037 0.034 0.000 0.665 200 A CB 1.197 20.206 19.000 0.015 0.000 1.285 200 A HN 1.028 9.178 8.150 -0.000 0.000 0.433 201 S N -0.215 115.501 115.700 0.028 0.000 2.603 201 S HA 0.141 4.622 4.470 0.019 0.000 0.220 201 S C 0.410 175.019 174.600 0.016 0.000 0.967 201 S CA 0.577 58.794 58.200 0.027 0.000 0.920 201 S CB -0.884 62.332 63.200 0.027 0.000 0.773 201 S HN 1.051 9.361 8.310 -0.000 0.000 0.529 202 N N -0.469 118.238 118.700 0.011 0.000 3.106 202 N HA 0.278 5.029 4.740 0.019 0.000 0.253 202 N C -0.379 175.124 175.510 -0.013 0.000 1.506 202 N CA -0.973 52.070 53.050 -0.012 0.000 0.876 202 N CB 0.845 39.316 38.487 -0.027 0.000 1.452 202 N HN -0.206 8.174 8.380 -0.000 0.000 0.542 203 K N -0.354 119.995 120.400 -0.086 0.000 2.103 203 K HA -0.043 4.288 4.320 0.019 0.000 0.204 203 K C 1.870 178.449 176.600 -0.034 0.000 1.052 203 K CA 0.893 57.097 56.287 -0.138 0.000 0.945 203 K CB -0.321 31.822 32.500 -0.596 0.000 0.722 203 K HN 0.387 8.637 8.250 -0.000 0.000 0.443 204 L N 1.650 122.826 121.223 -0.078 0.000 1.990 204 L HA -0.197 4.154 4.340 0.019 0.000 0.213 204 L C 1.876 178.718 176.870 -0.045 0.000 1.072 204 L CA 1.725 56.532 54.840 -0.055 0.000 0.755 204 L CB -0.428 41.595 42.059 -0.061 0.000 0.889 204 L HN 0.115 8.345 8.230 -0.000 0.000 0.432 205 L N -0.814 120.386 121.223 -0.038 0.000 2.156 205 L HA -0.098 4.253 4.340 0.019 0.000 0.208 205 L C 2.667 179.514 176.870 -0.038 0.000 1.095 205 L CA 0.897 55.704 54.840 -0.054 0.000 0.770 205 L CB -0.898 41.135 42.059 -0.043 0.000 0.914 205 L HN 0.420 8.650 8.230 -0.000 0.000 0.439 206 A N 0.494 123.328 122.820 0.023 0.000 1.877 206 A HA -0.262 4.069 4.320 0.019 0.000 0.216 206 A C 2.381 179.970 177.584 0.008 0.000 1.186 206 A CA 2.014 54.092 52.037 0.069 0.000 0.620 206 A CB -0.435 18.678 19.000 0.188 0.000 0.822 206 A HN 0.311 8.461 8.150 -0.000 0.000 0.443 207 K N -0.258 120.079 120.400 -0.104 0.000 2.063 207 K HA -0.093 4.239 4.320 0.019 0.000 0.208 207 K C 1.872 178.350 176.600 -0.204 0.000 1.048 207 K CA 1.524 57.520 56.287 -0.484 0.000 0.928 207 K CB -0.346 31.876 32.500 -0.463 0.000 0.713 207 K HN 0.472 8.722 8.250 -0.000 0.000 0.442 208 L N 0.168 121.316 121.223 -0.125 0.000 2.083 208 L HA -0.140 4.211 4.340 0.019 0.000 0.209 208 L C 2.386 179.195 176.870 -0.102 0.000 1.083 208 L CA 0.786 55.560 54.840 -0.110 0.000 0.752 208 L CB -0.289 41.693 42.059 -0.128 0.000 0.899 208 L HN 0.120 8.350 8.230 -0.000 0.000 0.433 209 V N -0.641 119.215 119.914 -0.096 0.000 3.235 209 V HA -0.123 4.008 4.120 0.019 0.000 0.259 209 V C 2.488 178.600 176.094 0.029 0.000 1.133 209 V CA 1.372 63.620 62.300 -0.086 0.000 1.128 209 V CB 0.213 31.973 31.823 -0.104 0.000 0.757 209 V HN 0.608 8.798 8.190 -0.000 0.000 0.469 210 S N -0.089 115.646 115.700 0.058 0.000 2.447 210 S HA -0.010 4.471 4.470 0.019 0.000 0.233 210 S C 1.814 176.470 174.600 0.092 0.000 1.006 210 S CA 1.094 59.361 58.200 0.111 0.000 0.957 210 S CB -0.350 62.983 63.200 0.221 0.000 0.773 210 S HN 0.595 8.905 8.310 -0.000 0.000 0.507 211 G N 0.588 109.423 108.800 0.059 0.000 3.042 211 G HA2 0.241 4.212 3.960 0.019 0.000 0.212 211 G HA3 0.241 4.212 3.960 0.019 0.000 0.212 211 G C 1.079 175.977 174.900 -0.003 0.000 1.166 211 G CA 0.281 45.404 45.100 0.038 0.000 0.767 211 G HN 0.430 8.720 8.290 -0.000 0.000 0.546 212 V N -0.063 119.848 119.914 -0.004 0.000 2.358 212 V HA 0.117 4.248 4.120 0.019 0.000 0.246 212 V C 0.565 176.395 176.094 -0.440 0.000 1.047 212 V CA 1.023 63.236 62.300 -0.144 0.000 1.035 212 V CB -0.457 31.370 31.823 0.007 0.000 0.658 212 V HN 0.253 8.443 8.190 -0.000 0.000 0.452 213 F N 1.261 121.171 119.950 -0.067 0.000 2.427 213 F HA 0.582 5.113 4.527 0.007 0.000 0.348 213 F C 0.100 175.861 175.800 -0.065 0.000 1.125 213 F CA -0.765 57.150 58.000 -0.143 0.000 0.989 213 F CB 1.242 40.007 39.000 -0.392 0.000 1.165 213 F HN 0.029 8.329 8.300 -0.000 0.000 0.442 214 K N 3.485 123.937 120.400 0.087 0.000 2.536 214 K HA 0.701 5.032 4.320 0.019 0.000 0.269 214 K C -3.350 173.220 176.600 -0.050 0.000 0.965 214 K CA -1.811 54.491 56.287 0.025 0.000 0.860 214 K CB 2.232 34.770 32.500 0.063 0.000 1.423 214 K HN 0.209 8.459 8.250 -0.000 0.000 0.438 215 P HA 0.168 4.588 4.420 -0.000 0.000 0.278 215 P C -0.648 176.535 177.300 -0.195 0.000 1.266 215 P CA -0.377 62.482 63.100 -0.401 0.000 0.807 215 P CB 0.251 31.321 31.700 -1.049 0.000 1.094 216 N N -0.728 117.889 118.700 -0.138 0.000 2.725 216 N HA -0.186 4.566 4.740 0.019 0.000 0.251 216 N C -0.950 174.533 175.510 -0.046 0.000 1.031 216 N CA 1.049 54.042 53.050 -0.094 0.000 0.720 216 N CB -1.146 37.261 38.487 -0.132 0.000 0.930 216 N HN 0.538 8.918 8.380 -0.000 0.000 0.543 217 Q N -0.663 119.142 119.800 0.009 0.000 2.615 217 Q HA 0.553 4.904 4.340 0.019 0.000 0.298 217 Q C -0.869 175.187 176.000 0.092 0.000 1.023 217 Q CA -0.945 54.903 55.803 0.075 0.000 0.768 217 Q CB 1.781 30.630 28.738 0.184 0.000 1.500 217 Q HN 0.463 8.733 8.270 -0.000 0.000 0.441 218 Q N -0.627 119.255 119.800 0.135 0.000 2.456 218 Q HA 0.795 5.146 4.340 0.019 0.000 0.284 218 Q C -1.416 174.699 176.000 0.192 0.000 1.061 218 Q CA -0.857 55.017 55.803 0.118 0.000 0.799 218 Q CB 2.455 31.215 28.738 0.037 0.000 1.445 218 Q HN 0.471 8.741 8.270 -0.000 0.000 0.411 219 T N 0.755 115.415 114.554 0.177 0.000 2.912 219 T HA 0.503 4.865 4.350 0.019 0.000 0.299 219 T C -1.480 173.306 174.700 0.144 0.000 1.052 219 T CA -0.687 61.547 62.100 0.223 0.000 0.996 219 T CB 1.951 71.028 68.868 0.348 0.000 1.070 219 T HN 0.513 8.753 8.240 -0.000 0.000 0.465 220 V N 3.573 123.566 119.914 0.131 0.000 2.555 220 V HA 0.771 4.902 4.120 0.019 0.000 0.302 220 V C -1.168 174.988 176.094 0.104 0.000 1.038 220 V CA -1.002 61.349 62.300 0.084 0.000 0.887 220 V CB 1.526 33.374 31.823 0.041 0.000 0.991 220 V HN 0.779 8.969 8.190 -0.000 0.000 0.434 221 L N 7.394 128.655 121.223 0.063 0.000 2.265 221 L HA 0.579 4.930 4.340 0.019 0.000 0.289 221 L C -0.562 176.323 176.870 0.025 0.000 1.033 221 L CA 0.194 55.067 54.840 0.056 0.000 0.814 221 L CB 1.010 43.055 42.059 -0.024 0.000 1.203 221 L HN 0.645 8.875 8.230 -0.000 0.000 0.423 222 L N 6.927 128.154 121.223 0.007 0.000 2.399 222 L HA 0.427 4.778 4.340 0.019 0.000 0.266 222 L C -1.324 175.569 176.870 0.039 0.000 1.114 222 L CA -1.682 53.119 54.840 -0.065 0.000 0.804 222 L CB 0.594 42.458 42.059 -0.326 0.000 1.146 222 L HN 0.466 8.696 8.230 -0.000 0.000 0.451 223 P HA -0.139 4.281 4.420 -0.000 0.000 0.216 223 P C 0.817 178.184 177.300 0.112 0.000 1.150 223 P CA 1.024 64.186 63.100 0.103 0.000 0.837 223 P CB 0.267 32.041 31.700 0.123 0.000 0.786 224 E N -0.951 119.330 120.200 0.136 0.000 2.333 224 E HA -0.050 4.311 4.350 0.019 0.000 0.198 224 E C 1.454 178.131 176.600 0.129 0.000 1.007 224 E CA 0.925 57.401 56.400 0.126 0.000 0.845 224 E CB -0.678 29.101 29.700 0.131 0.000 0.766 224 E HN 0.160 8.520 8.360 -0.000 0.000 0.507 225 S N -0.740 115.045 115.700 0.141 0.000 2.540 225 S HA 0.005 4.486 4.470 0.019 0.000 0.218 225 S C 1.559 176.294 174.600 0.225 0.000 0.977 225 S CA -0.219 58.108 58.200 0.211 0.000 0.918 225 S CB -0.087 63.279 63.200 0.278 0.000 0.806 225 S HN 0.503 8.813 8.310 -0.000 0.000 0.496 226 C N 2.080 121.459 119.300 0.132 0.000 2.413 226 C HA -0.123 4.348 4.460 0.019 0.000 0.276 226 C C 2.614 177.657 174.990 0.088 0.000 1.248 226 C CA 1.134 60.194 59.018 0.069 0.000 1.742 226 C CB -0.871 26.903 27.740 0.057 0.000 2.017 226 C HN 0.452 8.682 8.230 -0.000 0.000 0.481 227 Q N -0.320 119.569 119.800 0.149 0.000 2.119 227 Q HA -0.141 4.210 4.340 0.019 0.000 0.201 227 Q C 2.129 178.278 176.000 0.249 0.000 0.972 227 Q CA 1.631 57.540 55.803 0.177 0.000 0.847 227 Q CB -0.942 27.944 28.738 0.245 0.000 0.903 227 Q HN 0.829 9.099 8.270 -0.000 0.000 0.433 228 H N 0.462 119.650 119.070 0.197 0.000 2.353 228 H HA -0.102 4.465 4.556 0.019 0.000 0.300 228 H C 2.020 177.489 175.328 0.235 0.000 1.090 228 H CA 1.263 57.455 56.048 0.241 0.000 1.327 228 H CB 0.047 29.971 29.762 0.271 0.000 1.383 228 H HN 0.164 8.444 8.280 -0.000 0.000 0.508 229 L N 0.842 122.261 121.223 0.326 0.000 1.989 229 L HA -0.144 4.208 4.340 0.019 0.000 0.211 229 L C 2.618 179.449 176.870 -0.065 0.000 1.071 229 L CA 1.487 56.311 54.840 -0.026 0.000 0.749 229 L CB -1.072 40.744 42.059 -0.406 0.000 0.890 229 L HN 0.251 8.481 8.230 -0.000 0.000 0.431 230 I N -0.782 119.717 120.570 -0.117 0.000 2.264 230 I HA -0.304 3.877 4.170 0.019 0.000 0.248 230 I C 2.247 178.198 176.117 -0.276 0.000 1.111 230 I CA 1.502 62.667 61.300 -0.226 0.000 1.382 230 I CB -0.441 37.384 38.000 -0.292 0.000 1.060 230 I HN 0.396 8.606 8.210 -0.000 0.000 0.418 231 H N -0.763 118.269 119.070 -0.063 0.000 2.551 231 H HA 0.112 4.678 4.556 0.018 0.000 0.266 231 H C 2.394 177.660 175.328 -0.103 0.000 0.977 231 H CA 1.006 57.000 56.048 -0.090 0.000 1.163 231 H CB -0.191 29.514 29.762 -0.094 0.000 1.381 231 H HN 0.438 8.718 8.280 -0.000 0.000 0.581 232 S N 0.421 116.113 115.700 -0.013 0.000 2.447 232 S HA -0.024 4.457 4.470 0.019 0.000 0.233 232 S C 1.116 175.708 174.600 -0.013 0.000 1.006 232 S CA -0.038 58.151 58.200 -0.017 0.000 0.957 232 S CB -0.513 62.724 63.200 0.061 0.000 0.773 232 S HN 0.160 8.470 8.310 -0.000 0.000 0.507 233 L N 2.282 123.487 121.223 -0.030 0.000 2.483 233 L HA 0.193 4.545 4.340 0.019 0.000 0.276 233 L C 1.101 177.965 176.870 -0.010 0.000 1.213 233 L CA -0.318 54.505 54.840 -0.029 0.000 0.843 233 L CB 0.077 42.102 42.059 -0.057 0.000 1.107 233 L HN 0.240 8.470 8.230 -0.000 0.000 0.487 234 N N 0.106 118.814 118.700 0.013 0.000 2.254 234 N HA 0.056 4.807 4.740 0.019 0.000 0.190 234 N C -0.186 175.383 175.510 0.099 0.000 1.107 234 N CA 0.324 53.397 53.050 0.037 0.000 0.869 234 N CB 0.537 39.044 38.487 0.032 0.000 0.983 234 N HN 0.551 8.931 8.380 -0.000 0.000 0.487 235 H N -0.414 118.634 119.070 -0.037 0.000 3.060 235 H HA 0.066 4.632 4.556 0.018 0.000 0.330 235 H C 0.492 175.789 175.328 -0.052 0.000 1.305 235 H CA -0.489 55.534 56.048 -0.042 0.000 1.209 235 H CB 1.335 31.076 29.762 -0.035 0.000 1.913 235 H HN -0.184 8.096 8.280 -0.000 0.000 0.534 236 I N 1.642 121.981 120.570 -0.384 0.000 2.567 236 I HA -0.177 4.004 4.170 0.019 0.000 0.257 236 I C 2.289 178.404 176.117 -0.004 0.000 1.184 236 I CA 1.230 62.414 61.300 -0.195 0.000 1.451 236 I CB -0.616 37.219 38.000 -0.276 0.000 1.089 236 I HN 0.435 8.645 8.210 -0.000 0.000 0.441 237 K N 1.583 122.094 120.400 0.185 0.000 2.360 237 K HA -0.140 4.191 4.320 0.019 0.000 0.201 237 K C 1.403 178.032 176.600 0.048 0.000 1.046 237 K CA 1.581 57.934 56.287 0.110 0.000 0.945 237 K CB -0.578 31.996 32.500 0.124 0.000 0.750 237 K HN 0.518 8.768 8.250 -0.000 0.000 0.464 238 E N 0.930 121.153 120.200 0.040 0.000 2.427 238 E HA 0.065 4.427 4.350 0.019 0.000 0.196 238 E C 0.182 176.769 176.600 -0.022 0.000 1.028 238 E CA 0.050 56.453 56.400 0.004 0.000 0.864 238 E CB 0.021 29.722 29.700 0.002 0.000 0.813 238 E HN 0.332 8.692 8.360 -0.000 0.000 0.514 239 I N 3.111 123.662 120.570 -0.032 0.000 2.396 239 I HA 0.081 4.263 4.170 0.019 0.000 0.289 239 I C -2.226 173.870 176.117 -0.035 0.000 1.056 239 I CA -2.340 58.931 61.300 -0.050 0.000 1.365 239 I CB 0.615 38.573 38.000 -0.069 0.000 1.407 239 I HN -0.274 7.936 8.210 -0.000 0.000 0.509 240 P HA 0.087 4.507 4.420 -0.000 0.000 0.267 240 P C 0.760 178.045 177.300 -0.025 0.000 1.209 240 P CA 0.536 63.623 63.100 -0.022 0.000 0.763 240 P CB 0.704 32.393 31.700 -0.019 0.000 0.816 241 G N 3.045 111.835 108.800 -0.016 0.000 2.253 241 G HA2 -0.184 3.787 3.960 0.019 0.000 0.209 241 G HA3 -0.184 3.787 3.960 0.019 0.000 0.209 241 G C 0.019 174.907 174.900 -0.021 0.000 0.997 241 G CA -0.476 44.612 45.100 -0.019 0.000 0.640 241 G HN 0.487 8.777 8.290 -0.000 0.000 0.496 242 I N 2.676 123.232 120.570 -0.023 0.000 2.291 242 I HA 0.547 4.729 4.170 0.019 0.000 0.290 242 I C 1.225 177.338 176.117 -0.006 0.000 1.050 242 I CA -0.040 61.246 61.300 -0.025 0.000 1.245 242 I CB 0.939 38.916 38.000 -0.038 0.000 1.405 242 I HN 0.196 8.406 8.210 -0.000 0.000 0.478 243 G N 3.620 112.419 108.800 -0.002 0.000 2.702 243 G HA2 0.084 4.056 3.960 0.019 0.000 0.254 243 G HA3 0.084 4.056 3.960 0.019 0.000 0.254 243 G C 0.282 175.210 174.900 0.046 0.000 1.380 243 G CA -0.225 44.893 45.100 0.031 0.000 1.042 243 G HN 0.572 8.862 8.290 -0.000 0.000 0.557 244 Y N 0.390 120.678 120.300 -0.020 0.000 2.097 244 Y HA -0.153 4.408 4.550 0.018 0.000 0.282 244 Y C 2.751 178.638 175.900 -0.021 0.000 1.152 244 Y CA 2.768 60.854 58.100 -0.023 0.000 1.136 244 Y CB 0.015 38.459 38.460 -0.027 0.000 0.975 244 Y HN 0.384 8.664 8.280 -0.000 0.000 0.498 245 K N -0.167 120.057 120.400 -0.293 0.000 2.009 245 K HA -0.166 4.166 4.320 0.019 0.000 0.210 245 K C 1.910 178.336 176.600 -0.290 0.000 1.049 245 K CA 2.320 58.377 56.287 -0.383 0.000 0.929 245 K CB -0.799 31.619 32.500 -0.136 0.000 0.714 245 K HN 0.443 8.693 8.250 -0.000 0.000 0.440 246 T N 1.205 115.660 114.554 -0.165 0.000 2.746 246 T HA -0.072 4.290 4.350 0.019 0.000 0.267 246 T C 1.962 176.583 174.700 -0.130 0.000 1.039 246 T CA 1.512 63.538 62.100 -0.123 0.000 1.142 246 T CB -0.340 68.481 68.868 -0.078 0.000 0.866 246 T HN 0.436 8.676 8.240 -0.000 0.000 0.444 247 A N 1.483 124.235 122.820 -0.113 0.000 1.908 247 A HA -0.129 4.203 4.320 0.019 0.000 0.218 247 A C 2.238 179.765 177.584 -0.096 0.000 1.181 247 A CA 1.743 53.744 52.037 -0.059 0.000 0.627 247 A CB -0.452 18.557 19.000 0.016 0.000 0.818 247 A HN 0.254 8.404 8.150 -0.000 0.000 0.445 248 K N -0.340 119.926 120.400 -0.224 0.000 2.057 248 K HA -0.109 4.222 4.320 0.019 0.000 0.206 248 K C 2.023 178.524 176.600 -0.165 0.000 1.050 248 K CA 1.233 57.380 56.287 -0.234 0.000 0.935 248 K CB -1.236 30.992 32.500 -0.453 0.000 0.715 248 K HN 0.548 8.798 8.250 -0.000 0.000 0.439 249 C N 0.259 119.457 119.300 -0.170 0.000 2.413 249 C HA -0.087 4.385 4.460 0.019 0.000 0.277 249 C C 2.404 177.312 174.990 -0.137 0.000 1.228 249 C CA 0.870 59.808 59.018 -0.133 0.000 1.731 249 C CB -1.062 26.603 27.740 -0.125 0.000 2.042 249 C HN 0.508 8.738 8.230 -0.000 0.000 0.468 250 L N 0.570 121.705 121.223 -0.148 0.000 2.017 250 L HA -0.154 4.197 4.340 0.019 0.000 0.208 250 L C 2.735 179.510 176.870 -0.157 0.000 1.073 250 L CA 2.167 56.891 54.840 -0.193 0.000 0.745 250 L CB -0.923 41.022 42.059 -0.190 0.000 0.894 250 L HN 0.439 8.669 8.230 -0.000 0.000 0.432 251 E N 0.273 120.426 120.200 -0.078 0.000 2.097 251 E HA -0.263 4.098 4.350 0.019 0.000 0.196 251 E C 2.242 178.812 176.600 -0.049 0.000 1.000 251 E CA 1.283 57.667 56.400 -0.026 0.000 0.804 251 E CB -0.255 29.458 29.700 0.023 0.000 0.740 251 E HN 0.530 8.890 8.360 -0.000 0.000 0.454 252 A N 0.739 123.519 122.820 -0.066 0.000 2.067 252 A HA -0.086 4.245 4.320 0.019 0.000 0.219 252 A C 1.976 179.528 177.584 -0.054 0.000 1.158 252 A CA 0.835 52.840 52.037 -0.052 0.000 0.661 252 A CB -0.266 18.701 19.000 -0.055 0.000 0.801 252 A HN 0.143 8.293 8.150 -0.000 0.000 0.452 253 L N -1.239 119.923 121.223 -0.103 0.000 2.592 253 L HA 0.225 4.576 4.340 0.019 0.000 0.227 253 L C 1.569 178.390 176.870 -0.082 0.000 1.127 253 L CA 0.502 55.275 54.840 -0.112 0.000 0.884 253 L CB -0.023 41.865 42.059 -0.285 0.000 1.065 253 L HN 0.545 8.775 8.230 -0.000 0.000 0.457 254 G N 0.867 109.628 108.800 -0.066 0.000 2.143 254 G HA2 -0.286 3.685 3.960 0.019 0.000 0.249 254 G HA3 -0.286 3.685 3.960 0.019 0.000 0.249 254 G C 0.166 175.029 174.900 -0.063 0.000 0.981 254 G CA -0.211 44.874 45.100 -0.025 0.000 0.665 254 G HN 0.302 8.592 8.290 -0.000 0.000 0.528 255 I N 1.252 121.722 120.570 -0.166 0.000 2.301 255 I HA 0.305 4.487 4.170 0.019 0.000 0.292 255 I C 0.939 176.942 176.117 -0.189 0.000 1.046 255 I CA -0.611 60.566 61.300 -0.206 0.000 1.282 255 I CB 0.820 38.600 38.000 -0.366 0.000 1.409 255 I HN 0.075 8.285 8.210 -0.000 0.000 0.484 256 N N 2.836 121.430 118.700 -0.178 0.000 2.594 256 N HA 0.044 4.795 4.740 0.019 0.000 0.237 256 N C 0.592 175.846 175.510 -0.427 0.000 1.057 256 N CA 0.256 53.137 53.050 -0.281 0.000 0.883 256 N CB 0.421 38.897 38.487 -0.018 0.000 1.538 256 N HN 0.598 8.978 8.380 -0.000 0.000 0.451 257 S N 0.344 115.920 115.700 -0.206 0.000 2.669 257 S HA 0.324 4.805 4.470 0.019 0.000 0.270 257 S C 1.658 176.158 174.600 -0.167 0.000 1.225 257 S CA -0.702 57.401 58.200 -0.163 0.000 0.991 257 S CB 1.500 64.663 63.200 -0.062 0.000 0.987 257 S HN -0.106 8.204 8.310 -0.000 0.000 0.552 258 V N 1.320 121.158 119.914 -0.127 0.000 2.295 258 V HA -0.159 3.972 4.120 0.019 0.000 0.246 258 V C 2.919 178.937 176.094 -0.127 0.000 1.049 258 V CA 2.291 64.493 62.300 -0.162 0.000 1.024 258 V CB -1.051 30.648 31.823 -0.206 0.000 0.648 258 V HN 0.922 9.112 8.190 -0.000 0.000 0.447 259 R N -0.095 120.417 120.500 0.019 0.000 2.091 259 R HA -0.199 4.152 4.340 0.019 0.000 0.238 259 R C 2.100 178.386 176.300 -0.024 0.000 1.136 259 R CA 1.951 58.077 56.100 0.042 0.000 0.959 259 R CB -0.404 29.929 30.300 0.054 0.000 0.856 259 R HN 0.538 8.808 8.270 -0.000 0.000 0.437 260 D N 0.599 120.979 120.400 -0.033 0.000 2.133 260 D HA -0.222 4.429 4.640 0.019 0.000 0.192 260 D C 1.768 178.072 176.300 0.006 0.000 1.001 260 D CA 1.155 55.150 54.000 -0.009 0.000 0.844 260 D CB -0.208 40.563 40.800 -0.048 0.000 0.944 260 D HN 0.194 8.564 8.370 -0.000 0.000 0.447 261 L N 0.845 122.020 121.223 -0.079 0.000 2.072 261 L HA -0.097 4.255 4.340 0.019 0.000 0.205 261 L C 2.139 178.974 176.870 -0.058 0.000 1.079 261 L CA 1.522 56.313 54.840 -0.082 0.000 0.752 261 L CB -0.604 41.363 42.059 -0.152 0.000 0.906 261 L HN -0.026 8.204 8.230 -0.000 0.000 0.436 262 Q N -0.881 118.797 119.800 -0.203 0.000 2.135 262 Q HA -0.180 4.172 4.340 0.019 0.000 0.204 262 Q C 1.617 177.622 176.000 0.009 0.000 0.981 262 Q CA 2.200 57.769 55.803 -0.391 0.000 0.856 262 Q CB -0.287 28.033 28.738 -0.697 0.000 0.902 262 Q HN 0.727 8.997 8.270 -0.000 0.000 0.425 263 T N -2.787 111.798 114.554 0.053 0.000 3.086 263 T HA 0.120 4.481 4.350 0.019 0.000 0.250 263 T C 0.195 174.967 174.700 0.121 0.000 1.074 263 T CA -0.448 61.715 62.100 0.104 0.000 0.988 263 T CB -0.118 68.790 68.868 0.068 0.000 0.988 263 T HN 0.024 8.264 8.240 -0.000 0.000 0.530 264 F N 3.319 123.272 119.950 0.005 0.000 2.459 264 F HA 0.449 4.987 4.527 0.019 0.000 0.346 264 F C 0.898 176.710 175.800 0.019 0.000 1.128 264 F CA -0.825 57.176 58.000 0.002 0.000 1.268 264 F CB 0.999 39.989 39.000 -0.016 0.000 1.161 264 F HN 0.114 8.414 8.300 -0.000 0.000 0.583 265 S N 6.649 121.975 115.700 -0.623 0.000 2.555 265 S HA 0.094 4.575 4.470 0.019 0.000 0.293 265 S C -1.681 172.899 174.600 -0.032 0.000 1.248 265 S CA -0.975 57.026 58.200 -0.331 0.000 1.096 265 S CB 0.537 63.463 63.200 -0.457 0.000 0.881 265 S HN 0.514 8.824 8.310 -0.000 0.000 0.498 266 P HA -0.142 4.278 4.420 -0.000 0.000 0.216 266 P C 0.903 178.239 177.300 0.059 0.000 1.154 266 P CA 1.423 64.566 63.100 0.071 0.000 0.865 266 P CB 0.102 31.828 31.700 0.044 0.000 0.789 267 K N -0.896 119.514 120.400 0.017 0.000 2.103 267 K HA -0.017 4.314 4.320 0.019 0.000 0.204 267 K C 2.029 178.651 176.600 0.038 0.000 1.052 267 K CA 1.169 57.465 56.287 0.015 0.000 0.945 267 K CB -1.066 31.427 32.500 -0.011 0.000 0.722 267 K HN 0.183 8.433 8.250 -0.000 0.000 0.443 268 I N 0.113 120.708 120.570 0.041 0.000 2.286 268 I HA -0.182 3.999 4.170 0.019 0.000 0.245 268 I C 1.972 178.216 176.117 0.211 0.000 1.104 268 I CA 0.499 61.867 61.300 0.114 0.000 1.397 268 I CB -0.149 37.909 38.000 0.097 0.000 1.072 268 I HN 0.032 8.242 8.210 -0.000 0.000 0.417 269 L N 1.039 122.436 121.223 0.290 0.000 2.042 269 L HA -0.245 4.106 4.340 0.019 0.000 0.210 269 L C 2.426 179.355 176.870 0.097 0.000 1.076 269 L CA 1.959 56.926 54.840 0.211 0.000 0.749 269 L CB -0.527 41.671 42.059 0.231 0.000 0.893 269 L HN 0.208 8.438 8.230 -0.000 0.000 0.432 270 E N -0.937 119.311 120.200 0.079 0.000 2.106 270 E HA -0.273 4.088 4.350 0.019 0.000 0.192 270 E C 2.114 178.735 176.600 0.035 0.000 0.984 270 E CA 1.176 57.603 56.400 0.045 0.000 0.806 270 E CB -0.132 29.589 29.700 0.035 0.000 0.750 270 E HN 0.446 8.806 8.360 -0.000 0.000 0.458 271 K N 1.016 121.441 120.400 0.042 0.000 2.097 271 K HA -0.185 4.147 4.320 0.019 0.000 0.205 271 K C 1.809 178.425 176.600 0.027 0.000 1.050 271 K CA 1.231 57.537 56.287 0.032 0.000 0.938 271 K CB 0.183 32.703 32.500 0.034 0.000 0.718 271 K HN -0.102 8.148 8.250 -0.000 0.000 0.442 272 E N 0.444 120.665 120.200 0.036 0.000 2.076 272 E HA 0.003 4.364 4.350 0.019 0.000 0.190 272 E C 1.506 178.106 176.600 -0.002 0.000 0.979 272 E CA 0.942 57.352 56.400 0.017 0.000 0.807 272 E CB 0.232 29.943 29.700 0.018 0.000 0.761 272 E HN 0.266 8.626 8.360 -0.000 0.000 0.454 273 L N -1.062 120.162 121.223 0.001 0.000 2.693 273 L HA 0.353 4.704 4.340 0.019 0.000 0.235 273 L C 0.564 177.431 176.870 -0.006 0.000 1.127 273 L CA -0.044 54.789 54.840 -0.012 0.000 0.914 273 L CB 0.289 42.335 42.059 -0.021 0.000 1.193 273 L HN 0.198 8.428 8.230 -0.000 0.000 0.502 274 G N 0.609 109.411 108.800 0.003 0.000 2.733 274 G HA2 -0.273 3.698 3.960 0.019 0.000 0.686 274 G HA3 -0.273 3.698 3.960 0.019 0.000 0.686 274 G C 0.269 175.174 174.900 0.007 0.000 1.373 274 G CA -0.068 45.034 45.100 0.004 0.000 0.838 274 G HN 0.105 8.395 8.290 -0.000 0.000 0.588 275 I N 0.658 121.233 120.570 0.008 0.000 2.286 275 I HA -0.093 4.089 4.170 0.019 0.000 0.248 275 I C 2.692 178.813 176.117 0.007 0.000 1.115 275 I CA 2.597 63.903 61.300 0.010 0.000 1.392 275 I CB -0.107 37.897 38.000 0.008 0.000 1.065 275 I HN 0.795 9.005 8.210 -0.000 0.000 0.418 276 S N -0.249 115.453 115.700 0.002 0.000 2.338 276 S HA -0.157 4.324 4.470 0.019 0.000 0.218 276 S C 2.029 176.627 174.600 -0.002 0.000 1.032 276 S CA 1.878 60.078 58.200 -0.001 0.000 0.999 276 S CB -0.528 62.670 63.200 -0.003 0.000 0.905 276 S HN 0.332 8.642 8.310 -0.000 0.000 0.439 277 V N 2.810 122.721 119.914 -0.005 0.000 2.233 277 V HA -0.175 3.957 4.120 0.019 0.000 0.247 277 V C 2.985 179.076 176.094 -0.004 0.000 1.050 277 V CA 1.983 64.277 62.300 -0.010 0.000 1.010 277 V CB -1.690 30.122 31.823 -0.018 0.000 0.637 277 V HN 0.650 8.840 8.190 -0.000 0.000 0.444 278 A N -0.671 122.151 122.820 0.005 0.000 1.859 278 A HA -0.347 3.985 4.320 0.019 0.000 0.217 278 A C 2.210 179.811 177.584 0.029 0.000 1.198 278 A CA 2.464 54.513 52.037 0.020 0.000 0.629 278 A CB -0.664 18.357 19.000 0.035 0.000 0.830 278 A HN 0.653 8.803 8.150 -0.000 0.000 0.446 279 Q N -1.516 118.299 119.800 0.025 0.000 2.119 279 Q HA -0.147 4.204 4.340 0.019 0.000 0.201 279 Q C 2.414 178.430 176.000 0.026 0.000 0.972 279 Q CA 1.388 57.208 55.803 0.029 0.000 0.847 279 Q CB -0.151 28.597 28.738 0.017 0.000 0.903 279 Q HN 0.704 8.973 8.270 -0.000 0.000 0.433 280 R N 1.118 121.625 120.500 0.012 0.000 2.075 280 R HA -0.114 4.237 4.340 0.019 0.000 0.232 280 R C 2.364 178.668 176.300 0.008 0.000 1.126 280 R CA 1.307 57.410 56.100 0.006 0.000 0.963 280 R CB -0.209 30.087 30.300 -0.007 0.000 0.858 280 R HN 0.396 8.666 8.270 -0.000 0.000 0.435 281 I N -1.673 118.898 120.570 0.002 0.000 2.500 281 I HA -0.093 4.088 4.170 0.019 0.000 0.252 281 I C 2.279 178.398 176.117 0.004 0.000 1.142 281 I CA 1.086 62.379 61.300 -0.011 0.000 1.451 281 I CB -0.374 37.607 38.000 -0.033 0.000 1.093 281 I HN 0.200 8.410 8.210 -0.000 0.000 0.430 282 Q N 1.707 121.531 119.800 0.041 0.000 2.119 282 Q HA -0.173 4.178 4.340 0.019 0.000 0.201 282 Q C 2.166 178.281 176.000 0.190 0.000 0.972 282 Q CA 1.547 57.408 55.803 0.095 0.000 0.847 282 Q CB 0.072 28.892 28.738 0.136 0.000 0.903 282 Q HN 0.531 8.801 8.270 -0.000 0.000 0.433 283 K N 0.077 120.566 120.400 0.148 0.000 2.026 283 K HA -0.132 4.199 4.320 0.019 0.000 0.208 283 K C 2.083 178.762 176.600 0.132 0.000 1.048 283 K CA 1.327 57.713 56.287 0.165 0.000 0.929 283 K CB -0.157 32.384 32.500 0.069 0.000 0.713 283 K HN 0.239 8.489 8.250 -0.000 0.000 0.439 284 L N 1.188 122.440 121.223 0.048 0.000 2.089 284 L HA -0.267 4.084 4.340 0.019 0.000 0.213 284 L C 2.587 179.435 176.870 -0.036 0.000 1.079 284 L CA 1.671 56.510 54.840 -0.002 0.000 0.758 284 L CB -0.831 41.208 42.059 -0.032 0.000 0.891 284 L HN 0.310 8.540 8.230 -0.000 0.000 0.433 285 S N -0.741 114.917 115.700 -0.071 0.000 2.447 285 S HA -0.131 4.350 4.470 0.019 0.000 0.233 285 S C 1.574 175.968 174.600 -0.345 0.000 1.006 285 S CA 0.847 58.912 58.200 -0.225 0.000 0.957 285 S CB -0.629 62.398 63.200 -0.288 0.000 0.773 285 S HN 0.373 8.683 8.310 -0.000 0.000 0.507 286 F N 1.903 121.812 119.950 -0.068 0.000 2.797 286 F HA 0.388 4.926 4.527 0.019 0.000 0.302 286 F C 1.980 177.740 175.800 -0.066 0.000 1.130 286 F CA 0.242 58.206 58.000 -0.059 0.000 1.387 286 F CB 0.029 39.014 39.000 -0.024 0.000 1.107 286 F HN 0.418 8.718 8.300 -0.000 0.000 0.577 287 G N 0.519 109.347 108.800 0.046 0.000 2.157 287 G HA2 -0.268 3.703 3.960 0.019 0.000 0.248 287 G HA3 -0.268 3.703 3.960 0.019 0.000 0.248 287 G C 0.016 174.936 174.900 0.032 0.000 0.979 287 G CA -0.308 44.801 45.100 0.015 0.000 0.650 287 G HN 0.391 8.681 8.290 -0.000 0.000 0.529 288 E N 0.474 120.711 120.200 0.062 0.000 2.175 288 E HA 0.536 4.897 4.350 0.019 0.000 0.278 288 E C -1.074 175.532 176.600 0.010 0.000 0.969 288 E CA -0.555 55.866 56.400 0.035 0.000 0.796 288 E CB 1.513 31.237 29.700 0.040 0.000 1.104 288 E HN 0.173 8.533 8.360 -0.000 0.000 0.395 289 D N 2.531 122.924 120.400 -0.012 0.000 2.354 289 D HA 0.111 4.762 4.640 0.019 0.000 0.230 289 D C -0.899 175.377 176.300 -0.041 0.000 1.361 289 D CA -0.375 53.605 54.000 -0.033 0.000 0.992 289 D CB 0.290 41.059 40.800 -0.052 0.000 1.409 289 D HN 0.355 8.725 8.370 -0.000 0.000 0.573 290 N N 0.836 119.515 118.700 -0.036 0.000 2.370 290 N HA 0.048 4.799 4.740 0.019 0.000 0.198 290 N C 0.108 175.589 175.510 -0.049 0.000 1.156 290 N CA -0.216 52.812 53.050 -0.036 0.000 0.839 290 N CB 0.414 38.885 38.487 -0.026 0.000 0.989 290 N HN 0.380 8.760 8.380 -0.000 0.000 0.468 291 S N 1.347 117.005 115.700 -0.069 0.000 2.562 291 S HA 0.240 4.722 4.470 0.019 0.000 0.281 291 S C -2.211 172.333 174.600 -0.094 0.000 1.333 291 S CA -1.270 56.882 58.200 -0.081 0.000 1.052 291 S CB 0.835 63.971 63.200 -0.105 0.000 0.884 291 S HN 0.038 8.348 8.310 -0.000 0.000 0.506 292 P HA 0.266 4.686 4.420 -0.000 0.000 0.279 292 P C -0.648 176.598 177.300 -0.090 0.000 1.252 292 P CA -0.710 62.352 63.100 -0.065 0.000 0.811 292 P CB 0.637 32.315 31.700 -0.037 0.000 1.035 293 V N 3.396 123.267 119.914 -0.071 0.000 2.521 293 V HA 0.055 4.186 4.120 0.019 0.000 0.286 293 V C 0.791 176.878 176.094 -0.013 0.000 1.034 293 V CA 0.112 62.380 62.300 -0.054 0.000 1.045 293 V CB -0.157 31.671 31.823 0.008 0.000 0.974 293 V HN 0.340 8.530 8.190 -0.000 0.000 0.480 294 I N 5.398 125.964 120.570 -0.006 0.000 2.392 294 I HA 0.332 4.513 4.170 0.019 0.000 0.295 294 I C 0.099 176.240 176.117 0.039 0.000 0.985 294 I CA -0.702 60.606 61.300 0.013 0.000 1.221 294 I CB 1.670 39.674 38.000 0.007 0.000 1.366 294 I HN 0.493 8.703 8.210 -0.000 0.000 0.467 295 L N 5.189 126.436 121.223 0.041 0.000 2.456 295 L HA 0.093 4.444 4.340 0.019 0.000 0.277 295 L C 1.333 178.238 176.870 0.058 0.000 1.124 295 L CA 0.256 55.127 54.840 0.053 0.000 0.880 295 L CB 0.881 42.968 42.059 0.047 0.000 1.192 295 L HN 0.699 8.929 8.230 -0.000 0.000 0.463 296 S N 3.444 119.187 115.700 0.071 0.000 2.368 296 S HA 0.033 4.514 4.470 0.019 0.000 0.224 296 S C 1.135 175.787 174.600 0.086 0.000 1.029 296 S CA 0.700 58.947 58.200 0.079 0.000 0.988 296 S CB -0.335 62.919 63.200 0.089 0.000 0.838 296 S HN 1.123 9.433 8.310 -0.000 0.000 0.462 297 G N 2.111 110.968 108.800 0.095 0.000 2.575 297 G HA2 -0.249 3.722 3.960 0.019 0.000 0.267 297 G HA3 -0.249 3.722 3.960 0.019 0.000 0.267 297 G C -2.648 172.320 174.900 0.113 0.000 1.264 297 G CA -0.214 44.941 45.100 0.092 0.000 0.935 297 G HN 0.410 8.700 8.290 -0.000 0.000 0.568 298 P HA 0.369 4.789 4.420 -0.000 0.000 0.274 298 P C -2.257 175.055 177.300 0.019 0.000 1.231 298 P CA -0.940 62.174 63.100 0.022 0.000 0.790 298 P CB 0.121 31.832 31.700 0.019 0.000 0.951 299 P HA 0.108 4.528 4.420 -0.000 0.000 0.272 299 P C 0.417 177.652 177.300 -0.109 0.000 1.223 299 P CA 0.004 63.041 63.100 -0.106 0.000 0.784 299 P CB 0.709 32.218 31.700 -0.318 0.000 0.923 300 Q N -0.268 119.498 119.800 -0.056 0.000 2.424 300 Q HA 0.093 4.445 4.340 0.019 0.000 0.204 300 Q C 0.752 176.762 176.000 0.018 0.000 0.933 300 Q CA 0.654 56.459 55.803 0.004 0.000 0.929 300 Q CB 0.079 28.833 28.738 0.027 0.000 1.037 300 Q HN 0.675 8.945 8.270 -0.000 0.000 0.511 301 S N -1.080 114.574 115.700 -0.077 0.000 2.596 301 S HA 0.725 5.206 4.470 0.019 0.000 0.270 301 S C -1.196 173.280 174.600 -0.207 0.000 1.155 301 S CA -0.871 57.336 58.200 0.011 0.000 0.827 301 S CB 1.155 64.393 63.200 0.064 0.000 1.130 301 S HN 0.014 8.324 8.310 -0.000 0.000 0.467 302 F N 1.449 121.505 119.950 0.177 0.000 2.562 302 F HA 0.732 5.271 4.527 0.019 0.000 0.319 302 F C 0.298 176.208 175.800 0.184 0.000 1.154 302 F CA -0.068 58.045 58.000 0.189 0.000 0.931 302 F CB 2.496 41.622 39.000 0.210 0.000 1.198 302 F HN 0.991 9.291 8.300 -0.000 0.000 0.444 303 S N 2.192 118.068 115.700 0.293 0.000 2.651 303 S HA 0.835 5.316 4.470 0.019 0.000 0.279 303 S C -1.441 173.267 174.600 0.180 0.000 1.148 303 S CA -0.862 57.456 58.200 0.197 0.000 0.837 303 S CB 2.908 66.179 63.200 0.119 0.000 1.138 303 S HN 0.584 8.894 8.310 -0.000 0.000 0.478 304 E N 0.136 120.414 120.200 0.130 0.000 2.383 304 E HA 0.493 4.854 4.350 0.019 0.000 0.275 304 E C -1.421 175.229 176.600 0.083 0.000 0.918 304 E CA -0.825 55.645 56.400 0.115 0.000 0.764 304 E CB 2.419 32.192 29.700 0.122 0.000 1.252 304 E HN 0.759 9.119 8.360 -0.000 0.000 0.449 305 E N 1.073 121.319 120.200 0.077 0.000 2.343 305 E HA 0.493 4.854 4.350 0.019 0.000 0.270 305 E C -1.494 175.146 176.600 0.067 0.000 0.895 305 E CA -0.791 55.642 56.400 0.056 0.000 0.767 305 E CB 2.577 32.294 29.700 0.029 0.000 1.248 305 E HN 0.315 8.675 8.360 -0.000 0.000 0.440 306 D N 0.108 120.549 120.400 0.068 0.000 2.934 306 D HA 0.290 4.941 4.640 0.019 0.000 0.230 306 D C -1.584 174.657 176.300 -0.099 0.000 1.204 306 D CA -0.238 53.812 54.000 0.084 0.000 0.873 306 D CB 2.174 43.093 40.800 0.199 0.000 1.645 306 D HN 0.216 8.586 8.370 -0.000 0.000 0.502 307 S N 1.659 117.273 115.700 -0.143 0.000 2.549 307 S HA 0.921 5.402 4.470 0.019 0.000 0.297 307 S C -1.366 173.113 174.600 -0.201 0.000 1.115 307 S CA -0.476 57.495 58.200 -0.382 0.000 1.059 307 S CB 0.262 63.377 63.200 -0.142 0.000 1.046 307 S HN 0.349 8.659 8.310 -0.000 0.000 0.506 308 F N 0.387 120.373 119.950 0.060 0.000 2.744 308 F HA 0.565 5.103 4.527 0.019 0.000 0.311 308 F C -1.082 174.744 175.800 0.044 0.000 1.144 308 F CA -1.262 56.778 58.000 0.067 0.000 0.938 308 F CB 0.705 39.739 39.000 0.057 0.000 1.292 308 F HN 0.154 8.454 8.300 -0.000 0.000 0.444 309 K N 1.761 122.323 120.400 0.270 0.000 2.300 309 K HA 0.334 4.665 4.320 0.019 0.000 0.264 309 K C -0.459 176.265 176.600 0.205 0.000 1.083 309 K CA -0.464 55.924 56.287 0.168 0.000 0.958 309 K CB 0.781 33.327 32.500 0.078 0.000 1.318 309 K HN 0.722 8.972 8.250 -0.000 0.000 0.448 310 K N 0.688 121.245 120.400 0.261 0.000 3.035 310 K HA -0.219 4.112 4.320 0.019 0.000 0.262 310 K C -0.059 176.599 176.600 0.097 0.000 1.024 310 K CA 0.546 56.944 56.287 0.183 0.000 0.748 310 K CB -1.624 30.936 32.500 0.099 0.000 1.247 310 K HN 0.595 8.845 8.250 -0.000 0.000 0.482 311 C N -0.180 119.149 119.300 0.049 0.000 2.780 311 C HA 0.266 4.737 4.460 0.019 0.000 0.287 311 C C 0.628 175.381 174.990 -0.394 0.000 1.288 311 C CA -0.220 58.711 59.018 -0.145 0.000 1.713 311 C CB -0.088 27.550 27.740 -0.170 0.000 1.955 311 C HN 0.477 8.707 8.230 -0.000 0.000 0.613 312 S N 0.675 116.189 115.700 -0.309 0.000 2.423 312 S HA 0.493 4.975 4.470 0.019 0.000 0.213 312 S C -0.937 173.661 174.600 -0.003 0.000 1.131 312 S CA 0.040 58.085 58.200 -0.260 0.000 1.155 312 S CB 0.388 63.307 63.200 -0.469 0.000 1.202 312 S HN 0.267 8.577 8.310 -0.000 0.000 0.441 313 S N 2.883 118.576 115.700 -0.010 0.000 2.649 313 S HA 0.658 5.139 4.470 0.019 0.000 0.274 313 S C -1.495 173.100 174.600 -0.007 0.000 1.176 313 S CA -0.402 57.822 58.200 0.039 0.000 0.988 313 S CB 1.525 64.758 63.200 0.054 0.000 1.071 313 S HN 0.718 9.028 8.310 -0.000 0.000 0.478 314 E N 1.733 121.926 120.200 -0.012 0.000 2.390 314 E HA 0.463 4.824 4.350 0.019 0.000 0.280 314 E C -0.275 176.298 176.600 -0.045 0.000 0.992 314 E CA -0.526 55.884 56.400 0.017 0.000 0.790 314 E CB 1.800 31.545 29.700 0.074 0.000 1.248 314 E HN 0.483 8.843 8.360 -0.000 0.000 0.447 315 V N 2.308 122.160 119.914 -0.103 0.000 4.253 315 V HA -0.264 3.867 4.120 0.019 0.000 0.233 315 V C 0.632 176.647 176.094 -0.132 0.000 0.511 315 V CA 2.229 64.435 62.300 -0.157 0.000 0.872 315 V CB -0.646 31.120 31.823 -0.096 0.000 0.899 315 V HN 0.716 8.906 8.190 -0.000 0.000 1.196 316 E N -0.569 119.550 120.200 -0.135 0.000 2.489 316 E HA 0.388 4.750 4.350 0.019 0.000 0.204 316 E C 1.748 178.243 176.600 -0.174 0.000 1.006 316 E CA 1.037 57.353 56.400 -0.140 0.000 0.936 316 E CB 0.315 29.929 29.700 -0.144 0.000 1.002 316 E HN 0.742 9.102 8.360 -0.000 0.000 0.488 317 A N 1.030 123.727 122.820 -0.205 0.000 1.872 317 A HA -0.105 4.227 4.320 0.019 0.000 0.214 317 A C 2.120 179.545 177.584 -0.264 0.000 1.187 317 A CA 1.519 53.406 52.037 -0.250 0.000 0.614 317 A CB -0.398 18.315 19.000 -0.477 0.000 0.826 317 A HN 0.196 8.346 8.150 -0.000 0.000 0.442 318 K N -0.309 119.915 120.400 -0.295 0.000 2.057 318 K HA -0.228 4.104 4.320 0.019 0.000 0.207 318 K C 1.982 178.510 176.600 -0.121 0.000 1.049 318 K CA 1.751 57.911 56.287 -0.212 0.000 0.931 318 K CB -0.279 32.111 32.500 -0.184 0.000 0.714 318 K HN 0.478 8.728 8.250 -0.000 0.000 0.440 319 N N 0.433 119.068 118.700 -0.108 0.000 2.043 319 N HA -0.170 4.581 4.740 0.019 0.000 0.193 319 N C 1.474 176.953 175.510 -0.052 0.000 1.037 319 N CA 1.681 54.688 53.050 -0.071 0.000 0.851 319 N CB 0.109 38.553 38.487 -0.071 0.000 1.027 319 N HN 0.072 8.452 8.380 -0.000 0.000 0.422 320 K N 0.429 120.792 120.400 -0.061 0.000 2.063 320 K HA -0.078 4.253 4.320 0.019 0.000 0.208 320 K C 2.080 178.689 176.600 0.016 0.000 1.048 320 K CA 0.965 57.243 56.287 -0.014 0.000 0.928 320 K CB -0.611 31.886 32.500 -0.004 0.000 0.713 320 K HN 0.403 8.653 8.250 -0.000 0.000 0.442 321 I N 1.273 121.839 120.570 -0.008 0.000 2.315 321 I HA -0.216 3.965 4.170 0.019 0.000 0.248 321 I C 2.264 178.386 176.117 0.008 0.000 1.117 321 I CA 1.013 62.317 61.300 0.007 0.000 1.404 321 I CB -0.191 37.797 38.000 -0.020 0.000 1.071 321 I HN 0.227 8.437 8.210 -0.000 0.000 0.419 322 E N 0.567 120.762 120.200 -0.008 0.000 2.070 322 E HA -0.326 4.035 4.350 0.019 0.000 0.197 322 E C 2.056 178.668 176.600 0.019 0.000 1.004 322 E CA 1.746 58.148 56.400 0.004 0.000 0.805 322 E CB -0.191 29.502 29.700 -0.011 0.000 0.744 322 E HN 0.515 8.875 8.360 -0.000 0.000 0.451 323 E N 0.907 121.118 120.200 0.018 0.000 2.077 323 E HA -0.197 4.164 4.350 0.019 0.000 0.193 323 E C 2.262 178.890 176.600 0.047 0.000 0.989 323 E CA 0.720 57.137 56.400 0.028 0.000 0.800 323 E CB -0.039 29.677 29.700 0.026 0.000 0.746 323 E HN 0.190 8.550 8.360 -0.000 0.000 0.452 324 L N 0.797 122.053 121.223 0.056 0.000 2.042 324 L HA -0.199 4.152 4.340 0.019 0.000 0.210 324 L C 2.720 179.642 176.870 0.087 0.000 1.076 324 L CA 0.628 55.512 54.840 0.072 0.000 0.749 324 L CB -0.473 41.628 42.059 0.069 0.000 0.893 324 L HN 0.346 8.576 8.230 -0.000 0.000 0.432 325 L N 0.014 121.285 121.223 0.080 0.000 2.046 325 L HA -0.185 4.166 4.340 0.019 0.000 0.208 325 L C 2.771 179.710 176.870 0.115 0.000 1.077 325 L CA 2.057 56.971 54.840 0.124 0.000 0.747 325 L CB -1.047 41.072 42.059 0.101 0.000 0.896 325 L HN 0.253 8.483 8.230 -0.000 0.000 0.432 326 A N -0.919 121.942 122.820 0.069 0.000 1.859 326 A HA -0.294 4.038 4.320 0.019 0.000 0.217 326 A C 2.576 180.186 177.584 0.043 0.000 1.198 326 A CA 2.407 54.470 52.037 0.044 0.000 0.629 326 A CB -1.073 17.944 19.000 0.028 0.000 0.830 326 A HN 0.502 8.652 8.150 -0.000 0.000 0.446 327 S N -0.767 114.966 115.700 0.055 0.000 2.356 327 S HA -0.083 4.398 4.470 0.019 0.000 0.223 327 S C 1.955 176.595 174.600 0.066 0.000 1.032 327 S CA 1.423 59.656 58.200 0.054 0.000 1.005 327 S CB -0.498 62.741 63.200 0.065 0.000 0.867 327 S HN 0.460 8.770 8.310 -0.000 0.000 0.449 328 L N 0.756 122.052 121.223 0.122 0.000 2.083 328 L HA -0.107 4.244 4.340 0.019 0.000 0.209 328 L C 2.279 179.164 176.870 0.025 0.000 1.083 328 L CA 0.650 55.593 54.840 0.170 0.000 0.752 328 L CB -0.431 41.860 42.059 0.388 0.000 0.899 328 L HN 0.329 8.559 8.230 -0.000 0.000 0.433 329 L N -0.319 120.911 121.223 0.011 0.000 2.083 329 L HA -0.216 4.135 4.340 0.019 0.000 0.209 329 L C 2.255 179.039 176.870 -0.144 0.000 1.083 329 L CA 1.579 56.346 54.840 -0.123 0.000 0.752 329 L CB -1.248 40.772 42.059 -0.065 0.000 0.899 329 L HN 0.318 8.548 8.230 -0.000 0.000 0.433 330 N N -0.810 117.841 118.700 -0.082 0.000 2.120 330 N HA -0.187 4.564 4.740 0.019 0.000 0.188 330 N C 1.996 177.431 175.510 -0.124 0.000 1.024 330 N CA 0.988 53.987 53.050 -0.084 0.000 0.852 330 N CB 0.126 38.587 38.487 -0.043 0.000 1.003 330 N HN 0.336 8.716 8.380 -0.000 0.000 0.424 331 R N 0.618 121.035 120.500 -0.138 0.000 2.062 331 R HA -0.054 4.297 4.340 0.019 0.000 0.231 331 R C 2.298 178.334 176.300 -0.440 0.000 1.136 331 R CA 0.850 56.834 56.100 -0.194 0.000 0.948 331 R CB -0.518 29.736 30.300 -0.076 0.000 0.845 331 R HN 0.047 8.317 8.270 -0.000 0.000 0.430 332 V N 0.707 120.242 119.914 -0.632 0.000 2.282 332 V HA -0.383 3.748 4.120 0.019 0.000 0.249 332 V C 2.570 178.434 176.094 -0.383 0.000 1.057 332 V CA 1.978 63.871 62.300 -0.678 0.000 1.032 332 V CB -0.585 30.827 31.823 -0.686 0.000 0.645 332 V HN 0.577 8.767 8.190 -0.000 0.000 0.447 333 C N -0.668 118.462 119.300 -0.283 0.000 2.425 333 C HA -0.182 4.289 4.460 0.019 0.000 0.277 333 C C 2.755 177.658 174.990 -0.144 0.000 1.280 333 C CA 1.543 60.450 59.018 -0.186 0.000 1.744 333 C CB -0.981 26.672 27.740 -0.144 0.000 1.989 333 C HN 0.615 8.845 8.230 -0.000 0.000 0.491 334 Q N 0.055 119.769 119.800 -0.142 0.000 2.311 334 Q HA -0.117 4.234 4.340 0.019 0.000 0.203 334 Q C 1.971 177.916 176.000 -0.092 0.000 0.954 334 Q CA 1.333 57.078 55.803 -0.096 0.000 0.885 334 Q CB -0.516 28.179 28.738 -0.072 0.000 0.963 334 Q HN 0.780 9.050 8.270 -0.000 0.000 0.471 335 D N -1.121 119.197 120.400 -0.136 0.000 2.097 335 D HA -0.142 4.509 4.640 0.019 0.000 0.197 335 D C 1.190 177.455 176.300 -0.059 0.000 0.984 335 D CA 1.892 55.843 54.000 -0.082 0.000 0.826 335 D CB 0.372 41.104 40.800 -0.113 0.000 0.973 335 D HN 0.415 8.785 8.370 -0.000 0.000 0.460 336 G N 0.744 109.490 108.800 -0.090 0.000 2.345 336 G HA2 -0.252 3.720 3.960 0.019 0.000 0.218 336 G HA3 -0.252 3.720 3.960 0.019 0.000 0.218 336 G C 0.596 175.468 174.900 -0.047 0.000 1.058 336 G CA 0.207 45.271 45.100 -0.060 0.000 0.632 336 G HN 0.413 8.703 8.290 -0.000 0.000 0.508 337 R N 0.772 121.258 120.500 -0.024 0.000 2.707 337 R HA 0.600 4.951 4.340 0.019 0.000 0.270 337 R C -0.127 176.156 176.300 -0.029 0.000 1.083 337 R CA 0.171 56.277 56.100 0.009 0.000 1.182 337 R CB 0.442 30.783 30.300 0.068 0.000 1.084 337 R HN 0.232 8.502 8.270 -0.000 0.000 0.528 338 K N 1.850 122.256 120.400 0.010 0.000 2.324 338 K HA 0.385 4.716 4.320 0.019 0.000 0.253 338 K C -2.501 174.120 176.600 0.035 0.000 0.932 338 K CA -1.852 54.401 56.287 -0.056 0.000 0.799 338 K CB 2.126 34.561 32.500 -0.110 0.000 1.154 338 K HN 0.305 8.555 8.250 -0.000 0.000 0.425 339 P HA 0.191 4.611 4.420 -0.000 0.000 0.288 339 P C -0.634 176.695 177.300 0.048 0.000 1.267 339 P CA -0.256 62.908 63.100 0.106 0.000 0.815 339 P CB 0.861 32.609 31.700 0.080 0.000 0.989 340 H N -0.315 118.806 119.070 0.086 0.000 2.755 340 H HA 0.216 4.783 4.556 0.019 0.000 0.273 340 H C -0.207 175.175 175.328 0.090 0.000 1.055 340 H CA 0.158 56.246 56.048 0.067 0.000 1.191 340 H CB 0.962 30.750 29.762 0.045 0.000 1.536 340 H HN 0.353 8.633 8.280 -0.000 0.000 0.529 341 T N 1.468 116.162 114.554 0.233 0.000 2.916 341 T HA 0.304 4.665 4.350 0.019 0.000 0.298 341 T C -0.824 173.990 174.700 0.190 0.000 1.031 341 T CA -0.440 61.763 62.100 0.172 0.000 0.993 341 T CB 2.965 71.914 68.868 0.136 0.000 1.045 341 T HN -0.088 8.152 8.240 -0.000 0.000 0.454 342 V N 3.011 122.988 119.914 0.105 0.000 2.715 342 V HA 0.855 4.987 4.120 0.019 0.000 0.310 342 V C -0.708 175.351 176.094 -0.058 0.000 1.054 342 V CA -0.882 61.396 62.300 -0.036 0.000 0.928 342 V CB 1.914 33.685 31.823 -0.086 0.000 1.007 342 V HN 0.849 9.039 8.190 -0.000 0.000 0.437 343 R N 4.733 125.160 120.500 -0.122 0.000 2.673 343 R HA 0.630 4.981 4.340 0.019 0.000 0.281 343 R C -2.098 174.157 176.300 -0.075 0.000 0.991 343 R CA -0.606 55.456 56.100 -0.062 0.000 0.896 343 R CB 1.863 32.147 30.300 -0.027 0.000 1.201 343 R HN 0.770 9.040 8.270 -0.000 0.000 0.457 344 L N 5.662 126.868 121.223 -0.028 0.000 2.329 344 L HA 0.594 4.945 4.340 0.019 0.000 0.279 344 L C -1.357 175.519 176.870 0.010 0.000 1.014 344 L CA -1.026 53.814 54.840 0.000 0.000 0.814 344 L CB 1.579 43.664 42.059 0.044 0.000 1.257 344 L HN 0.695 8.925 8.230 -0.000 0.000 0.424 345 I N 5.393 125.975 120.570 0.020 0.000 2.465 345 I HA 0.468 4.649 4.170 0.019 0.000 0.291 345 I C -0.095 176.039 176.117 0.029 0.000 1.014 345 I CA -0.266 61.042 61.300 0.012 0.000 1.093 345 I CB 1.956 39.958 38.000 0.005 0.000 1.267 345 I HN 0.470 8.680 8.210 -0.000 0.000 0.431 346 I N 2.261 122.835 120.570 0.007 0.000 3.067 346 I HA 0.773 4.954 4.170 0.019 0.000 0.312 346 I C -0.817 175.292 176.117 -0.014 0.000 1.073 346 I CA -0.942 60.367 61.300 0.015 0.000 1.016 346 I CB 2.244 40.235 38.000 -0.016 0.000 1.227 346 I HN 0.587 8.797 8.210 -0.000 0.000 0.456 347 R N 2.090 122.582 120.500 -0.015 0.000 2.621 347 R HA 0.618 4.969 4.340 0.019 0.000 0.284 347 R C -1.337 174.954 176.300 -0.014 0.000 0.998 347 R CA -0.735 55.345 56.100 -0.034 0.000 0.895 347 R CB 2.245 32.504 30.300 -0.068 0.000 1.195 347 R HN 0.813 9.083 8.270 -0.000 0.000 0.450 348 R N 1.112 121.602 120.500 -0.017 0.000 2.828 348 R HA 0.675 5.027 4.340 0.019 0.000 0.264 348 R C -0.830 175.465 176.300 -0.009 0.000 1.022 348 R CA -0.165 55.932 56.100 -0.004 0.000 1.021 348 R CB 1.564 31.856 30.300 -0.013 0.000 1.163 348 R HN 0.568 8.838 8.270 -0.000 0.000 0.494 349 Y N -1.118 119.182 120.300 0.001 0.000 2.744 349 Y HA 0.678 5.240 4.550 0.019 0.000 0.330 349 Y C -0.646 175.255 175.900 0.001 0.000 1.263 349 Y CA -1.134 56.963 58.100 -0.004 0.000 1.065 349 Y CB 1.747 40.204 38.460 -0.004 0.000 1.306 349 Y HN 0.652 8.932 8.280 -0.000 0.000 0.459 350 S N -0.819 114.881 115.700 -0.001 0.000 2.823 350 S HA 0.607 5.088 4.470 0.019 0.000 0.316 350 S C 1.219 175.814 174.600 -0.008 0.000 1.116 350 S CA 0.033 58.227 58.200 -0.009 0.000 0.911 350 S CB 1.470 64.665 63.200 -0.009 0.000 1.276 350 S HN 1.529 9.839 8.310 -0.000 0.000 0.565 351 S N 0.426 116.120 115.700 -0.011 0.000 2.460 351 S HA 0.434 4.915 4.470 0.019 0.000 0.185 351 S C 0.592 175.179 174.600 -0.022 0.000 0.908 351 S CA 0.465 58.656 58.200 -0.015 0.000 0.894 351 S CB -0.960 62.232 63.200 -0.014 0.000 0.855 351 S HN 0.926 9.236 8.310 -0.000 0.000 0.574 352 E N 0.713 120.900 120.200 -0.022 0.000 2.129 352 E HA 0.687 5.048 4.350 0.019 0.000 0.268 352 E C -0.040 176.546 176.600 -0.024 0.000 0.900 352 E CA -0.374 56.009 56.400 -0.028 0.000 0.755 352 E CB 0.709 30.393 29.700 -0.027 0.000 1.117 352 E HN 0.813 9.173 8.360 -0.000 0.000 0.410 353 K N -0.327 120.057 120.400 -0.026 0.000 2.924 353 K HA 0.685 5.016 4.320 0.019 0.000 0.232 353 K C 0.916 177.505 176.600 -0.018 0.000 1.932 353 K CA 1.448 57.723 56.287 -0.020 0.000 1.209 353 K CB -0.096 32.394 32.500 -0.016 0.000 2.242 353 K HN 1.913 10.163 8.250 -0.000 0.000 0.463 354 H N -3.324 115.733 119.070 -0.022 0.000 3.046 354 H HA 0.567 5.134 4.556 0.019 0.000 0.361 354 H C 0.878 176.190 175.328 -0.026 0.000 1.235 354 H CA 0.325 56.363 56.048 -0.017 0.000 1.146 354 H CB 0.043 29.800 29.762 -0.008 0.000 1.859 354 H HN 1.011 9.291 8.280 -0.000 0.000 0.548 355 Y N 0.679 120.964 120.300 -0.026 0.000 2.163 355 Y HA 0.352 4.913 4.550 0.019 0.000 0.288 355 Y C 2.416 178.299 175.900 -0.028 0.000 1.136 355 Y CA 0.929 59.009 58.100 -0.034 0.000 1.147 355 Y CB -0.669 37.770 38.460 -0.036 0.000 0.987 355 Y HN 1.539 9.819 8.280 -0.000 0.000 0.509 356 G N 1.681 110.471 108.800 -0.016 0.000 2.134 356 G HA2 0.174 4.145 3.960 0.019 0.000 0.253 356 G HA3 0.174 4.145 3.960 0.019 0.000 0.253 356 G C 0.166 175.053 174.900 -0.022 0.000 0.960 356 G CA 0.113 45.203 45.100 -0.016 0.000 0.922 356 G HN 0.762 9.052 8.290 -0.000 0.000 0.394 357 R N 1.530 122.016 120.500 -0.022 0.000 2.541 357 R HA 0.589 4.941 4.340 0.019 0.000 0.254 357 R C 0.125 176.412 176.300 -0.023 0.000 1.130 357 R CA -0.463 55.622 56.100 -0.026 0.000 1.152 357 R CB 1.045 31.329 30.300 -0.025 0.000 1.222 357 R HN 0.653 8.923 8.270 -0.000 0.000 0.579 358 E N -0.333 119.851 120.200 -0.026 0.000 2.293 358 E HA 0.399 4.760 4.350 0.019 0.000 0.270 358 E C -1.348 175.236 176.600 -0.026 0.000 0.879 358 E CA -0.688 55.695 56.400 -0.029 0.000 0.756 358 E CB 2.302 31.977 29.700 -0.041 0.000 1.208 358 E HN 0.622 8.982 8.360 -0.000 0.000 0.428 359 S N 2.135 117.823 115.700 -0.021 0.000 2.627 359 S HA 0.732 5.214 4.470 0.019 0.000 0.283 359 S C -0.851 173.740 174.600 -0.014 0.000 1.127 359 S CA -1.155 57.036 58.200 -0.015 0.000 0.863 359 S CB 1.896 65.092 63.200 -0.007 0.000 1.121 359 S HN 0.311 8.621 8.310 -0.000 0.000 0.479 360 R N 1.349 121.843 120.500 -0.009 0.000 2.621 360 R HA 0.524 4.875 4.340 0.019 0.000 0.284 360 R C -1.015 175.287 176.300 0.003 0.000 0.998 360 R CA -0.435 55.664 56.100 -0.002 0.000 0.895 360 R CB 1.765 32.064 30.300 -0.002 0.000 1.195 360 R HN 1.009 9.279 8.270 -0.000 0.000 0.450 361 Q N 0.562 120.367 119.800 0.009 0.000 2.495 361 Q HA 0.826 5.177 4.340 0.019 0.000 0.287 361 Q C -0.801 175.212 176.000 0.023 0.000 1.078 361 Q CA -0.899 54.912 55.803 0.013 0.000 0.793 361 Q CB 2.410 31.158 28.738 0.018 0.000 1.459 361 Q HN 0.796 9.066 8.270 -0.000 0.000 0.422 362 C N -2.522 116.796 119.300 0.031 0.000 3.312 362 C HA 0.705 5.176 4.460 0.019 0.000 0.332 362 C C -2.947 172.075 174.990 0.052 0.000 1.340 362 C CA -1.763 57.278 59.018 0.038 0.000 1.265 362 C CB 0.822 28.582 27.740 0.034 0.000 1.563 362 C HN 0.761 8.991 8.230 -0.000 0.000 0.471 363 P HA 0.341 4.761 4.420 -0.000 0.000 0.269 363 P C -0.453 176.879 177.300 0.054 0.000 1.215 363 P CA 0.102 63.244 63.100 0.071 0.000 0.780 363 P CB 0.327 32.066 31.700 0.066 0.000 0.898 364 I N 3.784 124.386 120.570 0.053 0.000 2.496 364 I HA 0.156 4.337 4.170 0.019 0.000 0.285 364 I C -1.841 174.240 176.117 -0.060 0.000 1.080 364 I CA -2.022 59.282 61.300 0.005 0.000 1.404 364 I CB 0.365 38.370 38.000 0.007 0.000 1.403 364 I HN 0.196 8.406 8.210 -0.000 0.000 0.539 365 P HA 0.020 4.440 4.420 -0.000 0.000 0.269 365 P C 0.641 177.771 177.300 -0.283 0.000 1.209 365 P CA -0.174 62.814 63.100 -0.187 0.000 0.776 365 P CB 0.680 32.214 31.700 -0.277 0.000 0.876 366 S N 1.977 117.589 115.700 -0.147 0.000 2.359 366 S HA -0.286 4.195 4.470 0.019 0.000 0.224 366 S C 1.797 176.326 174.600 -0.117 0.000 1.035 366 S CA 1.627 59.775 58.200 -0.088 0.000 1.018 366 S CB -1.615 61.596 63.200 0.019 0.000 0.876 366 S HN 0.669 8.979 8.310 -0.000 0.000 0.448 367 H N 1.452 120.514 119.070 -0.013 0.000 2.387 367 H HA 0.022 4.589 4.556 0.019 0.000 0.299 367 H C 2.125 177.436 175.328 -0.028 0.000 1.090 367 H CA 1.544 57.582 56.048 -0.017 0.000 1.332 367 H CB -1.073 28.684 29.762 -0.008 0.000 1.386 367 H HN 0.400 8.680 8.280 -0.000 0.000 0.516 368 V N 2.033 121.591 119.914 -0.593 0.000 2.490 368 V HA -0.170 3.961 4.120 0.019 0.000 0.250 368 V C 1.945 177.928 176.094 -0.185 0.000 1.061 368 V CA 1.147 63.264 62.300 -0.306 0.000 1.064 368 V CB -0.541 31.076 31.823 -0.342 0.000 0.670 368 V HN 0.218 8.408 8.190 -0.000 0.000 0.461 369 I N 1.709 122.151 120.570 -0.214 0.000 2.668 369 I HA 0.068 4.249 4.170 0.019 0.000 0.309 369 I C 0.509 176.539 176.117 -0.145 0.000 1.195 369 I CA 0.621 61.793 61.300 -0.213 0.000 1.919 369 I CB -0.397 37.413 38.000 -0.316 0.000 1.551 369 I HN 0.250 8.460 8.210 -0.000 0.000 0.908 370 Q N 3.534 123.264 119.800 -0.116 0.000 3.853 370 Q HA 0.288 4.639 4.340 0.019 0.000 0.220 370 Q C -0.983 174.973 176.000 -0.074 0.000 0.826 370 Q CA -0.306 55.452 55.803 -0.075 0.000 0.821 370 Q CB 0.380 29.097 28.738 -0.035 0.000 1.546 370 Q HN 0.225 8.495 8.270 -0.000 0.000 0.410 378 D N 1.261 121.665 120.400 0.007 0.000 2.191 378 D HA -0.164 4.487 4.640 0.019 0.000 0.190 378 D C 1.492 177.802 176.300 0.017 0.000 1.007 378 D CA 3.005 57.011 54.000 0.011 0.000 0.865 378 D CB -0.696 40.106 40.800 0.004 0.000 0.929 378 D HN 0.625 8.995 8.370 -0.000 0.000 0.447 379 V N -0.061 119.859 119.914 0.009 0.000 3.085 379 V HA 0.002 4.133 4.120 0.019 0.000 0.245 379 V C 2.579 178.687 176.094 0.023 0.000 1.114 379 V CA 0.545 62.850 62.300 0.008 0.000 1.108 379 V CB 0.149 31.962 31.823 -0.018 0.000 0.798 379 V HN 0.131 8.321 8.190 -0.000 0.000 0.471 380 M N 1.115 120.728 119.600 0.021 0.000 2.066 380 M HA -0.144 4.347 4.480 0.019 0.000 0.259 380 M C 2.628 178.946 176.300 0.030 0.000 1.074 380 M CA 2.684 58.001 55.300 0.028 0.000 1.114 380 M CB -1.635 30.975 32.600 0.017 0.000 1.306 380 M HN 0.625 8.915 8.290 -0.000 0.000 0.411 381 T N -0.851 113.717 114.554 0.023 0.000 2.635 381 T HA -0.130 4.232 4.350 0.019 0.000 0.267 381 T C -0.783 173.937 174.700 0.033 0.000 1.040 381 T CA 1.466 63.579 62.100 0.022 0.000 1.156 381 T CB -2.283 66.594 68.868 0.016 0.000 0.863 381 T HN 0.174 8.414 8.240 -0.000 0.000 0.430 382 P HA -0.017 4.403 4.420 -0.000 0.000 0.215 382 P C 1.843 179.176 177.300 0.055 0.000 1.153 382 P CA 1.112 64.249 63.100 0.062 0.000 0.853 382 P CB -0.185 31.564 31.700 0.083 0.000 0.788 383 M N -1.294 118.340 119.600 0.057 0.000 2.156 383 M HA -0.070 4.421 4.480 0.019 0.000 0.264 383 M C 2.068 178.401 176.300 0.055 0.000 1.067 383 M CA 1.380 56.724 55.300 0.074 0.000 1.131 383 M CB -1.514 31.158 32.600 0.120 0.000 1.368 383 M HN -0.173 8.117 8.290 -0.000 0.000 0.416 384 V N 0.497 120.435 119.914 0.041 0.000 2.343 384 V HA -0.249 3.882 4.120 0.019 0.000 0.247 384 V C 2.076 178.180 176.094 0.017 0.000 1.051 384 V CA 1.895 64.207 62.300 0.020 0.000 1.036 384 V CB -0.726 31.100 31.823 0.006 0.000 0.654 384 V HN 0.332 8.522 8.190 -0.000 0.000 0.451 385 D N -0.048 120.367 120.400 0.025 0.000 2.144 385 D HA -0.104 4.547 4.640 0.019 0.000 0.200 385 D C 2.014 178.336 176.300 0.038 0.000 0.978 385 D CA 1.126 55.143 54.000 0.027 0.000 0.833 385 D CB -0.131 40.687 40.800 0.030 0.000 0.961 385 D HN 0.416 8.786 8.370 -0.000 0.000 0.470 386 I N 0.103 120.699 120.570 0.043 0.000 2.127 386 I HA -0.286 3.895 4.170 0.019 0.000 0.241 386 I C 2.457 178.602 176.117 0.048 0.000 1.075 386 I CA 0.773 62.100 61.300 0.045 0.000 1.334 386 I CB -0.231 37.796 38.000 0.045 0.000 1.040 386 I HN 0.032 8.242 8.210 -0.000 0.000 0.405 387 L N -0.504 120.743 121.223 0.041 0.000 2.042 387 L HA -0.254 4.097 4.340 0.019 0.000 0.210 387 L C 2.619 179.545 176.870 0.094 0.000 1.076 387 L CA 1.143 56.013 54.840 0.051 0.000 0.749 387 L CB -0.443 41.632 42.059 0.026 0.000 0.893 387 L HN 0.307 8.537 8.230 -0.000 0.000 0.432 388 M N -0.520 119.116 119.600 0.061 0.000 2.229 388 M HA -0.159 4.332 4.480 0.019 0.000 0.264 388 M C 2.130 178.517 176.300 0.145 0.000 1.063 388 M CA 1.585 56.928 55.300 0.072 0.000 1.114 388 M CB -0.853 31.739 32.600 -0.013 0.000 1.387 388 M HN 0.144 8.434 8.290 -0.000 0.000 0.420 389 K N 0.082 120.542 120.400 0.100 0.000 2.057 389 K HA -0.015 4.316 4.320 0.019 0.000 0.206 389 K C 2.010 178.669 176.600 0.098 0.000 1.050 389 K CA 0.932 57.274 56.287 0.092 0.000 0.935 389 K CB -0.199 32.338 32.500 0.062 0.000 0.715 389 K HN 0.274 8.524 8.250 -0.000 0.000 0.439 390 L N -0.086 121.195 121.223 0.096 0.000 2.141 390 L HA -0.141 4.211 4.340 0.019 0.000 0.209 390 L C 2.280 179.202 176.870 0.087 0.000 1.094 390 L CA 0.885 55.769 54.840 0.073 0.000 0.763 390 L CB -0.415 41.679 42.059 0.059 0.000 0.908 390 L HN 0.118 8.348 8.230 -0.000 0.000 0.437 391 F N 1.245 121.199 119.950 0.006 0.000 2.069 391 F HA -0.241 4.297 4.527 0.019 0.000 0.298 391 F C 2.729 178.536 175.800 0.011 0.000 1.113 391 F CA 1.625 59.631 58.000 0.010 0.000 1.214 391 F CB -0.096 38.911 39.000 0.012 0.000 0.978 391 F HN -0.157 8.143 8.300 -0.000 0.000 0.474 392 R N 0.158 120.787 120.500 0.216 0.000 2.096 392 R HA -0.197 4.154 4.340 0.019 0.000 0.235 392 R C 2.217 178.515 176.300 -0.005 0.000 1.127 392 R CA 1.403 57.569 56.100 0.110 0.000 0.968 392 R CB -0.799 29.578 30.300 0.129 0.000 0.861 392 R HN 0.374 8.644 8.270 -0.000 0.000 0.440 393 N N 0.069 118.768 118.700 -0.002 0.000 2.348 393 N HA -0.174 4.577 4.740 0.019 0.000 0.185 393 N C 1.408 176.882 175.510 -0.060 0.000 1.019 393 N CA 1.199 54.237 53.050 -0.020 0.000 0.880 393 N CB 0.143 38.627 38.487 -0.005 0.000 0.965 393 N HN 0.291 8.671 8.380 -0.000 0.000 0.437 394 M N -0.261 119.266 119.600 -0.122 0.000 2.657 394 M HA 0.103 4.594 4.480 0.019 0.000 0.262 394 M C -0.142 176.035 176.300 -0.205 0.000 1.213 394 M CA 0.298 55.501 55.300 -0.161 0.000 1.182 394 M CB 1.085 33.562 32.600 -0.205 0.000 1.303 394 M HN -0.215 8.075 8.290 -0.000 0.000 0.501 395 V N 2.478 122.214 119.914 -0.296 0.000 2.448 395 V HA 0.220 4.352 4.120 0.019 0.000 0.295 395 V C -0.580 175.444 176.094 -0.115 0.000 1.025 395 V CA -1.104 61.032 62.300 -0.273 0.000 0.859 395 V CB 1.441 32.927 31.823 -0.562 0.000 0.988 395 V HN 0.407 8.597 8.190 -0.000 0.000 0.431 396 N N 4.113 122.779 118.700 -0.057 0.000 2.415 396 N HA 0.118 4.869 4.740 0.019 0.000 0.246 396 N C 0.753 176.275 175.510 0.020 0.000 1.078 396 N CA -0.430 52.613 53.050 -0.011 0.000 0.942 396 N CB 1.910 40.391 38.487 -0.010 0.000 1.140 396 N HN 0.503 8.883 8.380 -0.000 0.000 0.501 397 V N -0.397 119.549 119.914 0.052 0.000 3.241 397 V HA -0.079 4.052 4.120 0.019 0.000 0.269 397 V C 0.469 176.597 176.094 0.057 0.000 1.151 397 V CA 1.126 63.479 62.300 0.088 0.000 1.158 397 V CB -1.384 30.507 31.823 0.114 0.000 0.764 397 V HN 0.528 8.718 8.190 -0.000 0.000 0.508 398 K N -1.341 119.081 120.400 0.037 0.000 2.395 398 K HA 0.795 5.127 4.320 0.019 0.000 0.247 398 K C 0.025 176.637 176.600 0.020 0.000 0.973 398 K CA -0.161 56.143 56.287 0.027 0.000 0.828 398 K CB 1.620 34.134 32.500 0.022 0.000 1.272 398 K HN 0.141 8.391 8.250 -0.000 0.000 0.439 399 M N -1.147 118.463 119.600 0.017 0.000 2.297 399 M HA -0.123 4.368 4.480 0.019 0.000 0.200 399 M C -2.317 173.989 176.300 0.011 0.000 0.414 399 M CA 0.513 55.820 55.300 0.012 0.000 0.449 399 M CB -3.125 29.480 32.600 0.008 0.000 1.436 399 M HN 0.353 8.643 8.290 -0.000 0.000 0.912 400 P HA 0.857 5.277 4.420 -0.000 0.000 0.276 400 P C 0.111 177.420 177.300 0.015 0.000 1.261 400 P CA 0.515 63.627 63.100 0.020 0.000 0.800 400 P CB 0.457 32.178 31.700 0.036 0.000 1.066 401 F N -2.294 117.664 119.950 0.014 0.000 2.561 401 F HA 0.673 5.211 4.527 0.019 0.000 0.321 401 F C 0.351 176.170 175.800 0.032 0.000 1.065 401 F CA -1.056 56.951 58.000 0.012 0.000 0.934 401 F CB -0.066 38.929 39.000 -0.008 0.000 1.215 401 F HN 0.619 8.919 8.300 -0.000 0.000 0.471 402 H N 1.985 121.077 119.070 0.038 0.000 2.604 402 H HA 0.708 5.275 4.556 0.019 0.000 0.306 402 H C -0.592 174.791 175.328 0.092 0.000 1.075 402 H CA -0.638 55.449 56.048 0.065 0.000 1.357 402 H CB 0.751 30.544 29.762 0.052 0.000 1.426 402 H HN 0.886 9.166 8.280 -0.000 0.000 0.470 403 L N 2.723 124.041 121.223 0.158 0.000 2.334 403 L HA 0.348 4.699 4.340 0.019 0.000 0.277 403 L C 1.360 178.437 176.870 0.346 0.000 1.075 403 L CA -0.225 54.757 54.840 0.236 0.000 0.804 403 L CB 2.127 44.384 42.059 0.329 0.000 1.174 403 L HN 0.785 9.015 8.230 -0.000 0.000 0.438 404 T N 2.418 117.047 114.554 0.125 0.000 3.043 404 T HA 0.360 4.722 4.350 0.019 0.000 0.272 404 T C -0.429 173.836 174.700 -0.725 0.000 0.990 404 T CA -0.081 61.931 62.100 -0.147 0.000 0.897 404 T CB 0.138 68.948 68.868 -0.097 0.000 1.111 404 T HN 0.382 8.622 8.240 -0.000 0.000 0.529 405 L N 0.868 121.762 121.223 -0.550 0.000 2.643 405 L HA 0.616 4.968 4.340 0.019 0.000 0.257 405 L C -2.381 174.467 176.870 -0.037 0.000 0.922 405 L CA -0.714 53.808 54.840 -0.530 0.000 0.909 405 L CB 1.746 43.636 42.059 -0.282 0.000 1.424 405 L HN 0.063 8.293 8.230 -0.000 0.000 0.422 406 L N 3.424 124.702 121.223 0.092 0.000 2.386 406 L HA 0.842 5.193 4.340 0.019 0.000 0.271 406 L C -0.619 176.317 176.870 0.110 0.000 0.993 406 L CA -0.459 54.500 54.840 0.199 0.000 0.819 406 L CB 2.180 44.439 42.059 0.334 0.000 1.294 406 L HN 0.646 8.876 8.230 -0.000 0.000 0.414 407 S N 1.921 117.668 115.700 0.079 0.000 2.546 407 S HA 0.786 5.267 4.470 0.019 0.000 0.272 407 S C -1.338 173.277 174.600 0.025 0.000 1.140 407 S CA -0.471 57.758 58.200 0.049 0.000 0.920 407 S CB 1.838 65.054 63.200 0.027 0.000 1.083 407 S HN 0.236 8.546 8.310 -0.000 0.000 0.476 408 V N 2.999 122.915 119.914 0.003 0.000 2.628 408 V HA 0.713 4.844 4.120 0.019 0.000 0.306 408 V C -0.212 175.824 176.094 -0.096 0.000 1.045 408 V CA -0.750 61.500 62.300 -0.083 0.000 0.905 408 V CB 1.417 33.160 31.823 -0.132 0.000 0.997 408 V HN 1.017 9.207 8.190 -0.000 0.000 0.436 409 C N 5.221 124.419 119.300 -0.169 0.000 2.482 409 C HA 0.737 5.208 4.460 0.019 0.000 0.317 409 C C -0.879 173.996 174.990 -0.191 0.000 1.197 409 C CA -0.725 58.245 59.018 -0.081 0.000 1.432 409 C CB 0.183 27.926 27.740 0.006 0.000 2.062 409 C HN 0.745 8.975 8.230 -0.000 0.000 0.471 410 F N 5.197 125.239 119.950 0.154 0.000 2.420 410 F HA 0.667 5.205 4.527 0.018 0.000 0.342 410 F C 1.048 176.963 175.800 0.192 0.000 1.113 410 F CA -0.093 57.998 58.000 0.153 0.000 1.059 410 F CB 1.192 40.279 39.000 0.144 0.000 1.128 410 F HN 0.984 9.284 8.300 -0.000 0.000 0.475 411 C N 0.806 120.310 119.300 0.339 0.000 3.275 411 C HA 0.524 4.995 4.460 0.019 0.000 0.373 411 C C 0.225 175.350 174.990 0.225 0.000 1.934 411 C CA -1.238 57.931 59.018 0.251 0.000 1.228 411 C CB 1.363 29.198 27.740 0.158 0.000 2.317 411 C HN 1.006 9.236 8.230 -0.000 0.000 0.437 412 N N 0.053 118.851 118.700 0.163 0.000 2.708 412 N HA -0.148 4.603 4.740 0.019 0.000 0.255 412 N C -0.920 174.695 175.510 0.175 0.000 1.046 412 N CA -0.034 53.095 53.050 0.132 0.000 0.715 412 N CB -0.363 38.200 38.487 0.127 0.000 0.895 412 N HN 0.634 9.014 8.380 -0.000 0.000 0.545 413 L N 1.693 123.019 121.223 0.172 0.000 2.360 413 L HA 0.296 4.647 4.340 0.019 0.000 0.276 413 L C 0.850 177.796 176.870 0.126 0.000 1.121 413 L CA 0.983 55.939 54.840 0.194 0.000 0.845 413 L CB 0.956 43.137 42.059 0.204 0.000 1.143 413 L HN 0.266 8.496 8.230 -0.000 0.000 0.452 414 K N 0.000 120.497 120.400 0.161 0.000 2.780 414 K HA 0.000 4.331 4.320 0.019 0.000 0.191 414 K CA 0.000 56.326 56.287 0.066 0.000 0.838 414 K CB 0.000 32.413 32.500 -0.145 0.000 1.064 414 K HN 0.000 8.250 8.250 -0.000 0.000 0.543