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 1jfb_1_A DATA FIRST_RESID 5 DATA SEQUENCE APSFPFSRAS GPEPPAEFAK LRATNPVSQV KLFDGSLAWL VTKHKDVCFV DATA SEQUENCE ATSEKLSKVR TRQGFPELSA SGKQAAKAKP TFVDMDPPEH MHQRSMVEPT DATA SEQUENCE FTPEAVKNLQ PYIQRTVDDL LEQMKQKGCA NGPVDLVKEF ALPVPSYIIY DATA SEQUENCE TLLGVPFNDL EYLTQQNAIR TNGSSTAREA SAANQELLDY LAILVEQRLV DATA SEQUENCE EPKDDIISKL CTEQVKPGNI DKSDAVQIAF LLLVAGNATM VNMIALGVAT DATA SEQUENCE LAQHPDQLAQ LKANPSLAPQ FVEELCRYHT ASALAIKRTA KEDVMIGDKL DATA SEQUENCE VRANEGIIAS NQSANRDEEV FENPDEFNMN RKWPPQDPLG FGFGDHRCIA DATA SEQUENCE EHLAKAELTT VFSTLYQKFP DLKVAVPLGK INYTPLNRDV GIVDLPVIF 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 5 A HA 0.000 4.318 4.320 -0.003 0.000 0.244 5 A C 0.000 177.605 177.584 0.034 0.000 1.274 5 A CA 0.000 52.030 52.037 -0.011 0.000 0.836 5 A CB 0.000 18.962 19.000 -0.064 0.000 0.831 6 P HA 0.125 4.608 4.420 0.105 0.000 0.277 6 P C -0.543 176.883 177.300 0.209 0.000 1.240 6 P CA -0.715 62.480 63.100 0.158 0.000 0.798 6 P CB 0.989 32.824 31.700 0.226 0.000 0.979 7 S N 0.119 115.931 115.700 0.186 0.000 2.562 7 S HA 0.296 5.063 4.470 0.128 -0.220 0.281 7 S C -0.650 174.086 174.600 0.227 0.000 1.333 7 S CA 1.377 59.676 58.200 0.166 0.000 1.052 7 S CB 0.652 63.918 63.200 0.110 0.000 0.884 7 S HN 0.156 8.557 8.310 0.153 0.000 0.506 8 F N 4.276 124.185 119.950 -0.068 0.000 2.569 8 F HA 0.389 4.675 4.527 -0.403 0.000 0.312 8 F C -2.723 172.996 175.800 -0.134 0.000 1.109 8 F CA -2.887 54.943 58.000 -0.283 0.000 0.919 8 F CB 4.080 42.810 39.000 -0.451 0.000 1.211 8 F HN -0.066 8.329 8.300 0.159 0.000 0.446 9 P HA 0.086 2.298 4.420 -3.680 0.000 0.274 9 P C -1.585 175.238 177.300 -0.794 0.000 1.231 9 P CA -0.699 61.428 63.100 -1.621 0.000 0.790 9 P CB 0.462 31.613 31.700 -0.915 0.000 0.951 10 F N -1.407 118.148 119.950 -0.658 0.000 2.380 10 F HA 0.088 4.475 4.527 -0.233 0.000 0.325 10 F C 1.307 176.948 175.800 -0.265 0.000 1.136 10 F CA -1.113 56.693 58.000 -0.323 0.000 1.171 10 F CB 0.595 39.408 39.000 -0.313 0.000 1.230 10 F HN -0.067 7.488 8.300 -1.242 0.000 0.554 11 S N 0.316 116.030 115.700 0.022 0.000 2.585 11 S HA 0.193 4.775 4.470 -0.047 -0.141 0.277 11 S C -0.099 174.471 174.600 -0.050 0.000 1.241 11 S CA -0.138 58.042 58.200 -0.034 0.000 1.041 11 S CB 1.596 64.775 63.200 -0.036 0.000 0.987 11 S HN 0.258 8.595 8.310 0.046 0.000 0.512 12 R N 3.500 123.972 120.500 -0.047 0.000 2.643 12 R HA -0.276 4.123 4.340 -0.049 -0.089 0.270 12 R C 0.236 176.494 176.300 -0.071 0.000 1.061 12 R CA 0.848 56.916 56.100 -0.054 0.000 1.107 12 R CB 0.045 30.314 30.300 -0.052 0.000 0.999 12 R HN 0.046 8.290 8.270 -0.043 0.000 0.460 13 A N 3.994 126.769 122.820 -0.077 0.000 1.972 13 A HA -0.155 4.117 4.320 -0.080 0.000 0.219 13 A C -0.556 176.984 177.584 -0.072 0.000 1.169 13 A CA 1.808 53.800 52.037 -0.076 0.000 0.635 13 A CB 0.526 19.484 19.000 -0.070 0.000 0.810 13 A HN 0.072 8.072 8.150 -0.071 0.107 0.446 14 S N -7.226 108.419 115.700 -0.092 0.000 2.661 14 S HA 0.047 4.461 4.470 -0.093 0.000 0.268 14 S C 0.983 175.454 174.600 -0.215 0.000 1.162 14 S CA -1.639 56.492 58.200 -0.117 0.000 0.817 14 S CB 1.078 64.219 63.200 -0.098 0.000 1.141 14 S HN -0.975 7.258 8.310 -0.097 0.019 0.477 15 G N 0.741 109.340 108.800 -0.334 0.000 2.649 15 G HA2 -0.218 3.465 3.960 -0.461 0.000 0.220 15 G HA3 -0.218 3.024 3.960 -1.196 0.000 0.220 15 G C -0.463 173.838 174.900 -0.998 0.000 1.189 15 G CA 2.747 47.378 45.100 -0.782 0.000 0.777 15 G HN 0.505 8.652 8.290 -0.238 0.000 0.602 16 P HA 0.258 4.506 4.420 -0.288 0.000 0.268 16 P C -1.146 176.147 177.300 -0.013 0.000 1.329 16 P CA -0.690 62.226 63.100 -0.307 0.000 0.899 16 P CB 0.101 31.765 31.700 -0.061 0.000 1.378 17 E N 0.058 120.201 120.200 -0.094 0.000 2.212 17 E HA 0.272 4.585 4.350 -0.061 0.000 0.270 17 E C -1.627 174.949 176.600 -0.040 0.000 0.956 17 E CA -3.078 53.287 56.400 -0.059 0.000 0.825 17 E CB 0.603 30.267 29.700 -0.059 0.000 1.167 17 E HN -0.682 7.513 8.360 -0.166 0.066 0.400 18 P HA 0.100 4.568 4.420 0.078 0.000 0.273 18 P C -2.067 175.238 177.300 0.009 0.000 1.250 18 P CA -1.419 61.712 63.100 0.052 0.000 0.793 18 P CB -0.948 30.824 31.700 0.120 0.000 1.011 19 P HA -0.119 4.378 4.420 -0.138 -0.160 0.264 19 P C 0.495 177.682 177.300 -0.189 0.000 1.183 19 P CA 0.307 63.305 63.100 -0.170 0.000 0.763 19 P CB 0.128 31.621 31.700 -0.346 0.000 0.807 20 A N 4.436 127.141 122.820 -0.192 0.000 2.067 20 A HA -0.306 3.963 4.320 -0.086 0.000 0.219 20 A C 1.315 178.782 177.584 -0.196 0.000 1.158 20 A CA 2.638 54.586 52.037 -0.149 0.000 0.661 20 A CB -0.120 18.798 19.000 -0.136 0.000 0.801 20 A HN 0.715 8.747 8.150 -0.196 0.000 0.452 21 E N -1.551 118.410 120.200 -0.399 0.000 2.110 21 E HA -0.353 3.786 4.350 -0.352 0.000 0.193 21 E C 2.094 178.621 176.600 -0.123 0.000 0.988 21 E CA 3.194 59.323 56.400 -0.452 0.000 0.804 21 E CB -0.482 28.546 29.700 -1.121 0.000 0.745 21 E HN 0.122 8.124 8.360 -0.505 0.055 0.458 22 F N -1.485 118.484 119.950 0.031 0.000 2.134 22 F HA -0.444 4.164 4.527 0.135 0.000 0.299 22 F C 1.844 177.672 175.800 0.046 0.000 1.097 22 F CA 2.853 60.909 58.000 0.094 0.000 1.264 22 F CB -0.233 38.843 39.000 0.127 0.000 1.001 22 F HN -0.824 7.343 8.300 -0.169 0.032 0.479 23 A N -1.414 121.523 122.820 0.194 0.000 1.933 23 A HA -0.357 4.035 4.320 0.119 0.000 0.218 23 A C 1.645 179.274 177.584 0.075 0.000 1.175 23 A CA 3.034 55.138 52.037 0.111 0.000 0.628 23 A CB -0.854 18.185 19.000 0.065 0.000 0.814 23 A HN 0.118 8.370 8.150 0.170 0.000 0.444 24 K N -1.486 118.943 120.400 0.049 0.000 2.057 24 K HA -0.315 4.018 4.320 0.021 0.000 0.206 24 K C 2.490 179.120 176.600 0.050 0.000 1.050 24 K CA 3.033 59.336 56.287 0.026 0.000 0.935 24 K CB -0.190 32.302 32.500 -0.014 0.000 0.715 24 K HN -0.590 7.671 8.250 0.038 0.011 0.439 25 L N -1.505 119.771 121.223 0.088 0.000 2.056 25 L HA -0.319 4.076 4.340 0.090 0.000 0.207 25 L C 2.540 179.469 176.870 0.097 0.000 1.078 25 L CA 3.086 57.995 54.840 0.115 0.000 0.749 25 L CB -0.357 41.819 42.059 0.196 0.000 0.901 25 L HN -0.379 7.913 8.230 0.102 0.000 0.433 26 R N -1.808 118.753 120.500 0.102 0.000 2.105 26 R HA -0.303 4.075 4.340 0.063 0.000 0.239 26 R C 1.962 178.290 176.300 0.045 0.000 1.135 26 R CA 3.062 59.203 56.100 0.069 0.000 0.967 26 R CB -0.148 30.192 30.300 0.067 0.000 0.861 26 R HN -0.016 8.330 8.270 0.126 0.000 0.442 27 A N -3.655 119.190 122.820 0.042 0.000 1.929 27 A HA -0.009 4.323 4.320 0.021 0.000 0.216 27 A C 1.131 178.729 177.584 0.023 0.000 1.176 27 A CA 2.489 54.542 52.037 0.026 0.000 0.628 27 A CB 0.281 19.294 19.000 0.022 0.000 0.816 27 A HN -0.479 7.685 8.150 0.050 0.016 0.444 28 T N -8.052 106.520 114.554 0.029 0.000 3.041 28 T HA 0.174 4.536 4.350 0.019 0.000 0.276 28 T C 0.153 174.874 174.700 0.034 0.000 0.948 28 T CA -0.324 61.791 62.100 0.025 0.000 0.885 28 T CB 1.391 70.271 68.868 0.019 0.000 1.175 28 T HN -0.444 7.818 8.240 0.037 0.000 0.529 29 N N 0.264 118.993 118.700 0.048 0.000 3.029 29 N HA 0.324 5.096 4.740 0.053 0.000 0.198 29 N C -1.815 173.744 175.510 0.081 0.000 1.444 29 N CA -1.338 51.750 53.050 0.062 0.000 0.784 29 N CB 1.514 40.043 38.487 0.069 0.000 1.539 29 N HN -0.256 8.156 8.380 0.053 0.000 0.582 30 P HA -0.048 4.520 4.420 0.074 -0.104 0.222 30 P C -1.838 175.504 177.300 0.069 0.000 1.147 30 P CA 1.109 64.245 63.100 0.060 0.000 0.790 30 P CB 0.591 32.307 31.700 0.027 0.000 0.780 31 V N -2.846 117.117 119.914 0.081 0.000 2.409 31 V HA 0.554 4.940 4.120 0.132 -0.187 0.290 31 V C -1.560 174.699 176.094 0.275 0.000 1.017 31 V CA -1.773 60.602 62.300 0.125 0.000 0.841 31 V CB 1.007 32.831 31.823 0.001 0.000 1.003 31 V HN -0.535 7.632 8.190 0.074 0.067 0.426 32 S N 5.446 121.356 115.700 0.350 0.000 2.607 32 S HA 0.416 5.116 4.470 0.382 0.000 0.273 32 S C -1.734 172.924 174.600 0.096 0.000 1.148 32 S CA -1.757 56.614 58.200 0.285 0.000 0.833 32 S CB 2.777 66.068 63.200 0.151 0.000 1.130 32 S HN 0.256 8.751 8.310 0.309 0.000 0.470 33 Q N 1.575 121.244 119.800 -0.218 0.000 2.235 33 Q HA 0.737 4.937 4.340 -0.564 -0.198 0.250 33 Q C -0.429 175.447 176.000 -0.207 0.000 0.909 33 Q CA -0.253 55.273 55.803 -0.462 0.000 0.910 33 Q CB 1.793 30.112 28.738 -0.699 0.000 1.223 33 Q HN 0.394 8.566 8.270 -0.164 0.000 0.432 34 V N -4.001 115.784 119.914 -0.215 0.000 3.001 34 V HA 0.577 4.760 4.120 -0.021 -0.076 0.314 34 V C -2.261 173.772 176.094 -0.102 0.000 1.099 34 V CA -3.355 58.888 62.300 -0.096 0.000 0.989 34 V CB 3.239 34.990 31.823 -0.121 0.000 1.040 34 V HN 0.714 8.728 8.190 -0.292 0.000 0.434 35 K N 2.508 122.898 120.400 -0.018 0.000 2.213 35 K HA 0.579 5.026 4.320 -0.068 -0.167 0.270 35 K C -0.672 175.944 176.600 0.027 0.000 1.002 35 K CA -1.464 54.808 56.287 -0.024 0.000 0.868 35 K CB 1.976 34.466 32.500 -0.018 0.000 1.093 35 K HN 0.067 8.337 8.250 0.034 0.000 0.454 36 L N 3.887 125.109 121.223 -0.002 0.000 2.469 36 L HA 0.258 4.839 4.340 0.140 -0.157 0.253 36 L C 2.077 178.953 176.870 0.009 0.000 1.143 36 L CA -1.617 53.261 54.840 0.064 0.000 0.804 36 L CB 1.054 43.149 42.059 0.059 0.000 1.214 36 L HN 0.269 8.471 8.230 -0.048 0.000 0.476 37 F N 0.519 120.473 119.950 0.007 0.000 2.250 37 F HA -0.254 4.273 4.527 -0.000 0.000 0.301 37 F C 0.238 176.039 175.800 0.002 0.000 1.077 37 F CA 2.460 60.461 58.000 0.002 0.000 1.348 37 F CB -0.273 38.726 39.000 -0.001 0.000 1.040 37 F HN 0.501 9.081 8.300 0.467 0.000 0.509 38 D N -1.874 117.822 120.400 -1.173 0.000 2.340 38 D HA -0.080 4.107 4.640 -0.754 0.000 0.220 38 D C 1.381 177.456 176.300 -0.375 0.000 1.039 38 D CA -0.646 52.829 54.000 -0.874 0.000 0.866 38 D CB -0.797 39.420 40.800 -0.972 0.000 0.913 38 D HN -0.481 7.117 8.370 -1.219 0.041 0.523 39 G N -0.389 108.258 108.800 -0.254 0.000 2.199 39 G HA2 -0.390 3.502 3.960 -0.114 0.000 0.254 39 G HA3 -0.390 3.489 3.960 -0.135 0.000 0.254 39 G C 0.082 174.902 174.900 -0.134 0.000 0.982 39 G CA -0.067 44.943 45.100 -0.149 0.000 0.632 39 G HN -0.061 7.895 8.290 -0.258 0.178 0.529 40 S N 0.504 116.108 115.700 -0.161 0.000 2.585 40 S HA -0.100 4.302 4.470 -0.112 0.000 0.273 40 S C -1.006 173.520 174.600 -0.124 0.000 1.339 40 S CA 0.765 58.890 58.200 -0.126 0.000 1.028 40 S CB 1.428 64.560 63.200 -0.113 0.000 0.906 40 S HN -0.468 7.920 8.310 -0.211 -0.205 0.528 41 L N 3.646 124.782 121.223 -0.146 0.000 2.265 41 L HA 0.737 5.179 4.340 -0.194 -0.218 0.289 41 L C -0.717 175.992 176.870 -0.268 0.000 1.033 41 L CA -1.060 53.653 54.840 -0.212 0.000 0.814 41 L CB 1.816 43.723 42.059 -0.253 0.000 1.203 41 L HN 0.200 8.348 8.230 -0.136 0.000 0.423 42 A N 3.153 125.805 122.820 -0.280 0.000 2.337 42 A HA 0.490 4.762 4.320 -0.230 -0.090 0.331 42 A C -1.991 175.377 177.584 -0.361 0.000 1.137 42 A CA -2.049 49.830 52.037 -0.264 0.000 0.807 42 A CB 3.449 22.339 19.000 -0.184 0.000 1.250 42 A HN 0.458 8.431 8.150 -0.295 0.000 0.468 43 W N -0.837 120.390 121.300 -0.122 0.000 2.322 43 W HA 0.211 4.979 4.660 -0.095 -0.165 0.307 43 W C -0.941 175.475 176.519 -0.171 0.000 1.220 43 W CA -0.351 56.926 57.345 -0.112 0.000 1.210 43 W CB 1.388 30.804 29.460 -0.074 0.000 1.223 43 W HN 0.503 8.722 8.180 0.065 0.000 0.511 44 L N 4.333 125.588 121.223 0.053 0.000 2.296 44 L HA 0.878 5.314 4.340 -0.175 -0.200 0.286 44 L C -1.773 175.120 176.870 0.037 0.000 1.023 44 L CA -1.541 53.248 54.840 -0.085 0.000 0.812 44 L CB 2.715 44.654 42.059 -0.200 0.000 1.223 44 L HN 0.922 9.212 8.230 0.100 0.000 0.421 45 V N 6.841 126.747 119.914 -0.013 0.000 2.417 45 V HA 0.551 4.820 4.120 0.024 -0.135 0.291 45 V C -0.460 175.604 176.094 -0.050 0.000 1.024 45 V CA -0.747 61.550 62.300 -0.005 0.000 0.861 45 V CB 1.767 33.587 31.823 -0.005 0.000 0.985 45 V HN 0.630 8.783 8.190 -0.063 0.000 0.436 46 T N 2.170 116.708 114.554 -0.026 0.000 2.958 46 T HA 0.259 4.522 4.350 -0.145 0.000 0.256 46 T C -0.108 174.569 174.700 -0.039 0.000 0.983 46 T CA -0.700 61.366 62.100 -0.056 0.000 0.924 46 T CB 1.312 70.205 68.868 0.042 0.000 1.136 46 T HN -0.088 8.151 8.240 -0.003 0.000 0.506 47 K N 0.401 120.794 120.400 -0.012 0.000 2.143 47 K HA 0.123 4.550 4.320 0.028 -0.089 0.272 47 K C 0.374 176.984 176.600 0.017 0.000 1.001 47 K CA -1.114 55.181 56.287 0.012 0.000 0.915 47 K CB 0.915 33.420 32.500 0.007 0.000 1.047 47 K HN -0.595 7.648 8.250 -0.012 0.000 0.458 48 H N 6.877 125.919 119.070 -0.048 0.000 2.319 48 H HA -0.476 4.044 4.556 -0.061 0.000 0.297 48 H C 1.618 176.888 175.328 -0.097 0.000 1.097 48 H CA 5.207 61.214 56.048 -0.067 0.000 1.285 48 H CB 0.699 30.423 29.762 -0.063 0.000 1.368 48 H HN 0.327 9.021 8.280 0.153 -0.322 0.495 49 K N -3.390 117.065 120.400 0.092 0.000 2.103 49 K HA -0.335 4.024 4.320 0.066 0.000 0.207 49 K C 1.998 178.597 176.600 -0.003 0.000 1.048 49 K CA 3.428 59.739 56.287 0.041 0.000 0.930 49 K CB -0.737 31.777 32.500 0.025 0.000 0.716 49 K HN 0.276 8.592 8.250 0.109 0.000 0.444 50 D N 0.354 120.745 120.400 -0.014 0.000 2.194 50 D HA -0.101 4.566 4.640 0.045 0.000 0.204 50 D C 2.323 178.644 176.300 0.035 0.000 0.964 50 D CA 2.688 56.696 54.000 0.014 0.000 0.846 50 D CB -0.357 40.427 40.800 -0.027 0.000 0.962 50 D HN -0.760 7.583 8.370 -0.017 0.016 0.490 51 V N 0.955 120.829 119.914 -0.066 0.000 2.343 51 V HA -0.460 3.627 4.120 -0.054 0.000 0.247 51 V C 2.007 178.026 176.094 -0.125 0.000 1.051 51 V CA 4.109 66.345 62.300 -0.106 0.000 1.036 51 V CB -0.706 31.009 31.823 -0.179 0.000 0.654 51 V HN 0.084 8.221 8.190 -0.089 0.000 0.451 52 C N -0.666 118.480 119.300 -0.256 0.000 2.425 52 C HA -0.328 3.927 4.460 -0.341 0.000 0.277 52 C C 2.040 177.061 174.990 0.053 0.000 1.280 52 C CA 4.718 63.567 59.018 -0.282 0.000 1.744 52 C CB -1.983 25.424 27.740 -0.555 0.000 1.989 52 C HN -0.290 7.753 8.230 -0.312 0.000 0.491 53 F N 1.404 121.328 119.950 -0.044 0.000 2.095 53 F HA -0.369 4.178 4.527 0.035 0.000 0.298 53 F C 1.550 177.357 175.800 0.012 0.000 1.104 53 F CA 3.753 61.754 58.000 0.001 0.000 1.232 53 F CB 0.230 39.214 39.000 -0.027 0.000 0.987 53 F HN -0.659 7.749 8.300 0.182 0.000 0.475 54 V N -1.285 118.655 119.914 0.043 0.000 2.332 54 V HA -0.657 3.384 4.120 -0.131 0.000 0.248 54 V C 1.210 177.250 176.094 -0.090 0.000 1.055 54 V CA 4.037 66.305 62.300 -0.054 0.000 1.038 54 V CB -0.155 31.687 31.823 0.033 0.000 0.651 54 V HN -0.222 8.075 8.190 0.178 0.000 0.450 55 A N -4.391 118.427 122.820 -0.005 0.000 2.015 55 A HA -0.222 4.120 4.320 0.037 0.000 0.219 55 A C 1.151 178.762 177.584 0.045 0.000 1.163 55 A CA 2.586 54.661 52.037 0.064 0.000 0.646 55 A CB -0.016 19.110 19.000 0.210 0.000 0.806 55 A HN -0.398 7.748 8.150 0.017 0.014 0.448 56 T N -6.942 107.602 114.554 -0.017 0.000 2.971 56 T HA -0.017 4.323 4.350 -0.016 0.000 0.252 56 T C 0.869 175.468 174.700 -0.169 0.000 1.022 56 T CA -0.651 61.421 62.100 -0.047 0.000 0.980 56 T CB 0.942 69.826 68.868 0.026 0.000 1.044 56 T HN -0.692 7.365 8.240 -0.060 0.147 0.501 57 S N 2.755 118.238 115.700 -0.361 0.000 2.533 57 S HA -0.102 4.139 4.470 -0.382 0.000 0.282 57 S C 1.526 176.015 174.600 -0.186 0.000 1.304 57 S CA 0.020 57.974 58.200 -0.410 0.000 1.063 57 S CB 1.111 63.873 63.200 -0.730 0.000 0.881 57 S HN -0.585 7.467 8.310 -0.430 0.000 0.493 58 E N 8.224 128.355 120.200 -0.115 0.000 2.511 58 E HA -0.153 4.174 4.350 -0.040 0.000 0.196 58 E C 0.831 177.411 176.600 -0.033 0.000 1.066 58 E CA 1.752 58.122 56.400 -0.050 0.000 0.871 58 E CB -0.230 29.454 29.700 -0.027 0.000 0.863 58 E HN 0.598 8.887 8.360 -0.119 0.000 0.520 59 K N -2.046 118.326 120.400 -0.047 0.000 2.444 59 K HA -0.062 4.258 4.320 0.000 0.000 0.193 59 K C -1.431 175.164 176.600 -0.008 0.000 1.024 59 K CA 0.538 56.818 56.287 -0.013 0.000 1.077 59 K CB 0.427 32.932 32.500 0.008 0.000 0.833 59 K HN -0.583 7.552 8.250 -0.082 0.065 0.517 60 L N -3.157 118.049 121.223 -0.028 0.000 2.342 60 L HA 0.666 5.162 4.340 0.011 -0.149 0.271 60 L C -1.201 175.676 176.870 0.011 0.000 1.008 60 L CA -1.533 53.301 54.840 -0.009 0.000 0.818 60 L CB 3.003 45.038 42.059 -0.041 0.000 1.296 60 L HN -0.808 7.313 8.230 -0.050 0.078 0.427 61 S N -1.378 114.348 115.700 0.044 0.000 2.526 61 S HA 0.330 5.040 4.470 0.045 -0.212 0.293 61 S C -0.300 174.360 174.600 0.101 0.000 1.092 61 S CA -1.843 56.394 58.200 0.062 0.000 0.980 61 S CB 2.501 65.744 63.200 0.071 0.000 1.048 61 S HN 0.338 8.681 8.310 0.056 0.000 0.483 62 K N 5.660 126.089 120.400 0.049 0.000 2.404 62 K HA 0.141 4.566 4.320 0.175 0.000 0.194 62 K C -0.514 176.038 176.600 -0.080 0.000 1.023 62 K CA -0.252 56.053 56.287 0.029 0.000 1.094 62 K CB 0.592 32.996 32.500 -0.159 0.000 0.841 62 K HN 0.183 8.793 8.250 0.028 -0.343 0.523 63 V N 0.517 120.408 119.914 -0.038 0.000 2.479 63 V HA -0.163 4.029 4.120 -0.133 -0.152 0.281 63 V C 1.264 177.218 176.094 -0.234 0.000 1.031 63 V CA 0.731 62.966 62.300 -0.107 0.000 1.038 63 V CB 0.014 31.824 31.823 -0.023 0.000 0.981 63 V HN -0.519 7.622 8.190 0.022 0.063 0.478 64 R N 5.604 125.866 120.500 -0.397 0.000 2.275 64 R HA -0.112 3.675 4.340 -0.921 0.000 0.199 64 R C 0.768 176.950 176.300 -0.198 0.000 0.989 64 R CA 2.381 58.136 56.100 -0.575 0.000 1.016 64 R CB 0.068 29.975 30.300 -0.654 0.000 0.918 64 R HN 0.694 8.772 8.270 -0.320 0.000 0.473 65 T N -7.443 107.049 114.554 -0.103 0.000 3.148 65 T HA -0.086 4.253 4.350 -0.018 0.000 0.253 65 T C 0.419 175.129 174.700 0.016 0.000 1.134 65 T CA -0.354 61.730 62.100 -0.026 0.000 1.051 65 T CB -0.182 68.675 68.868 -0.018 0.000 0.959 65 T HN -0.284 7.854 8.240 -0.110 0.036 0.525 66 R N 2.902 123.423 120.500 0.035 0.000 2.449 66 R HA -0.120 4.255 4.340 0.059 0.000 0.296 66 R C -0.785 175.583 176.300 0.114 0.000 1.047 66 R CA -0.068 56.078 56.100 0.077 0.000 1.018 66 R CB 0.379 30.738 30.300 0.099 0.000 0.962 66 R HN -0.845 7.358 8.270 0.010 0.073 0.428 67 Q N 4.206 124.056 119.800 0.082 0.000 2.330 67 Q HA -0.313 4.081 4.340 0.090 0.000 0.279 67 Q C 0.768 176.822 176.000 0.091 0.000 1.024 67 Q CA 1.778 57.629 55.803 0.081 0.000 0.900 67 Q CB 0.668 29.438 28.738 0.053 0.000 1.221 67 Q HN 0.449 8.758 8.270 0.065 0.000 0.396 68 G N 3.634 112.489 108.800 0.092 0.000 2.218 68 G HA2 -0.380 3.605 3.960 0.040 0.000 0.216 68 G HA3 -0.380 3.805 3.960 0.068 -0.184 0.216 68 G C -1.496 173.448 174.900 0.073 0.000 0.994 68 G CA -0.178 44.963 45.100 0.069 0.000 0.637 68 G HN 0.377 8.722 8.290 0.091 0.000 0.505 69 F N 4.201 124.168 119.950 0.028 0.000 2.578 69 F HA 0.204 4.748 4.527 0.028 0.000 0.376 69 F C -1.533 174.291 175.800 0.040 0.000 1.085 69 F CA -1.707 56.311 58.000 0.030 0.000 1.260 69 F CB 1.596 40.611 39.000 0.026 0.000 1.095 69 F HN -0.697 7.710 8.300 0.272 0.056 0.573 70 P HA 0.153 4.499 4.420 -0.123 0.000 0.247 70 P C -1.452 175.781 177.300 -0.110 0.000 1.756 70 P CA -0.923 61.995 63.100 -0.304 0.000 1.117 70 P CB -0.747 30.745 31.700 -0.347 0.000 1.869 71 E N 3.600 123.914 120.200 0.191 0.000 2.344 71 E HA 0.020 4.546 4.350 0.293 0.000 0.270 71 E C -0.211 176.565 176.600 0.294 0.000 1.021 71 E CA -0.370 56.206 56.400 0.292 0.000 0.887 71 E CB 0.432 30.337 29.700 0.342 0.000 0.997 71 E HN -0.288 8.159 8.360 0.222 0.046 0.429 72 L N 0.896 122.223 121.223 0.172 0.000 2.585 72 L HA 0.157 4.649 4.340 0.254 0.000 0.226 72 L C -0.274 176.535 176.870 -0.102 0.000 1.113 72 L CA 0.202 55.123 54.840 0.136 0.000 0.876 72 L CB 0.664 42.764 42.059 0.068 0.000 1.072 72 L HN 0.159 8.466 8.230 0.129 0.000 0.468 73 S N -4.077 111.373 115.700 -0.417 0.000 2.607 73 S HA 0.165 3.858 4.470 -1.294 0.000 0.273 73 S C -0.613 173.321 174.600 -1.109 0.000 1.148 73 S CA -1.378 56.273 58.200 -0.916 0.000 0.833 73 S CB 2.995 65.953 63.200 -0.404 0.000 1.130 73 S HN -0.960 7.221 8.310 -0.215 0.000 0.470 74 A N 1.240 123.414 122.820 -1.077 0.000 1.940 74 A HA -0.159 4.073 4.320 -0.147 0.000 0.219 74 A C 1.884 179.378 177.584 -0.149 0.000 1.176 74 A CA 2.978 54.802 52.037 -0.354 0.000 0.631 74 A CB -1.147 17.768 19.000 -0.142 0.000 0.814 74 A HN 0.504 8.001 8.150 -1.089 0.000 0.446 75 S N -2.457 113.141 115.700 -0.169 0.000 2.399 75 S HA -0.188 4.253 4.470 -0.048 0.000 0.231 75 S C 2.526 177.098 174.600 -0.047 0.000 1.022 75 S CA 3.086 61.239 58.200 -0.078 0.000 0.983 75 S CB -0.825 62.333 63.200 -0.070 0.000 0.803 75 S HN -0.065 8.091 8.310 -0.232 0.015 0.480 76 G N 1.830 110.594 108.800 -0.061 0.000 2.418 76 G HA2 -0.323 3.642 3.960 0.008 0.000 0.217 76 G HA3 -0.323 3.729 3.960 0.022 -0.079 0.217 76 G C 0.870 175.800 174.900 0.050 0.000 1.158 76 G CA 1.682 46.786 45.100 0.007 0.000 0.771 76 G HN -0.469 7.748 8.290 -0.122 0.000 0.545 77 K N 0.304 120.751 120.400 0.078 0.000 2.103 77 K HA -0.389 4.009 4.320 0.130 0.000 0.207 77 K C 1.743 178.382 176.600 0.065 0.000 1.048 77 K CA 2.956 59.313 56.287 0.117 0.000 0.930 77 K CB -0.110 32.508 32.500 0.196 0.000 0.716 77 K HN -0.852 7.430 8.250 0.054 0.000 0.444 78 Q N -2.858 116.967 119.800 0.042 0.000 2.050 78 Q HA -0.193 4.166 4.340 0.031 0.000 0.202 78 Q C 2.586 178.596 176.000 0.016 0.000 0.980 78 Q CA 2.368 58.187 55.803 0.026 0.000 0.840 78 Q CB 0.059 28.806 28.738 0.016 0.000 0.898 78 Q HN -0.773 7.518 8.270 0.035 0.000 0.424 79 A N -1.263 121.564 122.820 0.011 0.000 2.019 79 A HA -0.194 4.131 4.320 0.007 0.000 0.219 79 A C 1.952 179.530 177.584 -0.010 0.000 1.164 79 A CA 2.506 54.546 52.037 0.004 0.000 0.644 79 A CB -0.757 18.247 19.000 0.006 0.000 0.805 79 A HN -0.329 7.828 8.150 0.013 0.000 0.449 80 A N -4.349 118.462 122.820 -0.015 0.000 2.216 80 A HA -0.179 4.093 4.320 -0.079 0.000 0.214 80 A C 0.796 178.361 177.584 -0.033 0.000 1.160 80 A CA 1.550 53.558 52.037 -0.048 0.000 0.725 80 A CB -0.537 18.432 19.000 -0.051 0.000 0.784 80 A HN -0.603 7.518 8.150 0.001 0.030 0.472 81 K N -3.283 117.110 120.400 -0.011 0.000 2.296 81 K HA -0.114 4.203 4.320 -0.006 0.000 0.200 81 K C 0.163 176.759 176.600 -0.007 0.000 1.048 81 K CA 0.755 57.039 56.287 -0.005 0.000 0.966 81 K CB 0.176 32.679 32.500 0.005 0.000 0.754 81 K HN -0.599 7.582 8.250 -0.004 0.067 0.466 82 A N 0.245 123.059 122.820 -0.009 0.000 2.296 82 A HA 0.046 4.365 4.320 -0.002 0.000 0.264 82 A C -0.953 176.628 177.584 -0.005 0.000 1.097 82 A CA -0.200 51.835 52.037 -0.004 0.000 0.811 82 A CB 0.489 19.489 19.000 -0.001 0.000 1.072 82 A HN -0.763 7.342 8.150 -0.010 0.039 0.495 83 K N 1.234 121.636 120.400 0.003 0.000 2.447 83 K HA 0.002 4.327 4.320 0.008 0.000 0.281 83 K C -1.356 175.251 176.600 0.011 0.000 1.031 83 K CA -1.291 55.001 56.287 0.010 0.000 1.019 83 K CB 0.010 32.521 32.500 0.018 0.000 0.918 83 K HN 0.107 8.359 8.250 0.004 0.000 0.476 84 P HA 0.136 4.551 4.420 -0.009 0.000 0.274 84 P C -0.864 176.458 177.300 0.037 0.000 1.231 84 P CA -0.436 62.669 63.100 0.008 0.000 0.790 84 P CB 0.809 32.512 31.700 0.006 0.000 0.951 85 T N -4.302 110.262 114.554 0.017 0.000 2.910 85 T HA 0.282 4.767 4.350 0.091 -0.081 0.279 85 T C 1.620 176.354 174.700 0.056 0.000 0.989 85 T CA -2.266 59.850 62.100 0.027 0.000 0.968 85 T CB 2.769 71.599 68.868 -0.063 0.000 1.135 85 T HN -0.579 7.654 8.240 -0.012 0.000 0.562 86 F N -2.246 117.769 119.950 0.109 0.000 2.269 86 F HA -0.032 4.616 4.527 0.202 0.000 0.301 86 F C 1.357 177.334 175.800 0.296 0.000 1.082 86 F CA 1.942 60.054 58.000 0.187 0.000 1.360 86 F CB -0.900 38.159 39.000 0.098 0.000 1.041 86 F HN 0.093 8.624 8.300 0.105 -0.168 0.512 87 V N 2.412 122.254 119.914 -0.121 0.000 2.453 87 V HA -0.399 3.857 4.120 0.226 0.000 0.252 87 V C -0.158 175.981 176.094 0.076 0.000 1.068 87 V CA 2.622 64.935 62.300 0.022 0.000 1.070 87 V CB -0.382 31.335 31.823 -0.176 0.000 0.664 87 V HN -0.299 7.551 8.190 -0.522 0.026 0.461 88 D N -3.183 117.244 120.400 0.045 0.000 2.462 88 D HA 0.235 4.822 4.640 -0.089 0.000 0.221 88 D C -1.621 174.705 176.300 0.044 0.000 1.173 88 D CA -0.518 53.464 54.000 -0.029 0.000 0.831 88 D CB -0.097 40.639 40.800 -0.107 0.000 1.001 88 D HN -0.407 7.951 8.370 0.044 0.038 0.499 89 M N -1.279 118.444 119.600 0.204 0.000 2.478 89 M HA 0.038 4.601 4.480 0.137 0.000 0.327 89 M C -1.908 174.537 176.300 0.241 0.000 1.187 89 M CA 0.406 55.837 55.300 0.220 0.000 1.022 89 M CB 1.996 34.772 32.600 0.293 0.000 1.629 89 M HN -0.676 7.634 8.290 0.314 0.168 0.461 90 D N 0.214 120.714 120.400 0.166 0.000 2.440 90 D HA 0.455 5.189 4.640 0.157 0.000 0.258 90 D C -1.816 174.573 176.300 0.149 0.000 1.092 90 D CA -2.288 51.797 54.000 0.142 0.000 1.016 90 D CB 0.446 41.298 40.800 0.087 0.000 1.141 90 D HN -0.018 8.432 8.370 0.133 0.000 0.552 91 P HA 0.140 4.634 4.420 0.123 0.000 0.269 91 P C -1.246 176.095 177.300 0.068 0.000 1.209 91 P CA -0.788 62.371 63.100 0.097 0.000 0.776 91 P CB -0.452 31.286 31.700 0.064 0.000 0.876 92 P HA 0.119 4.575 4.420 0.060 0.000 0.251 92 P C 0.777 178.128 177.300 0.085 0.000 1.223 92 P CA 1.152 64.285 63.100 0.055 0.000 0.796 92 P CB 0.868 32.579 31.700 0.018 0.000 1.068 93 E N 0.361 120.621 120.200 0.101 0.000 2.110 93 E HA -0.402 4.027 4.350 0.131 0.000 0.193 93 E C 1.108 177.822 176.600 0.188 0.000 0.988 93 E CA 3.421 59.905 56.400 0.140 0.000 0.804 93 E CB -1.034 28.741 29.700 0.126 0.000 0.745 93 E HN -0.018 8.338 8.360 0.088 0.057 0.458 94 H N 0.752 119.873 119.070 0.084 0.000 2.251 94 H HA -0.342 4.296 4.556 0.136 0.000 0.294 94 H C 1.815 177.126 175.328 -0.028 0.000 1.078 94 H CA 4.001 60.082 56.048 0.056 0.000 1.246 94 H CB 0.391 30.137 29.762 -0.026 0.000 1.358 94 H HN -0.315 8.001 8.280 0.258 0.119 0.488 95 M N -2.630 116.818 119.600 -0.253 0.000 2.319 95 M HA -0.201 3.906 4.480 -0.622 0.000 0.265 95 M C 1.486 177.665 176.300 -0.201 0.000 1.068 95 M CA 0.941 56.026 55.300 -0.359 0.000 1.118 95 M CB -0.970 31.507 32.600 -0.206 0.000 1.395 95 M HN 0.153 8.418 8.290 -0.042 0.000 0.435 96 H N 1.524 120.513 119.070 -0.134 0.000 2.352 96 H HA -0.355 4.150 4.556 -0.086 0.000 0.299 96 H C 1.873 177.137 175.328 -0.105 0.000 1.097 96 H CA 3.813 59.808 56.048 -0.089 0.000 1.311 96 H CB 0.168 29.910 29.762 -0.033 0.000 1.377 96 H HN -0.524 7.807 8.280 0.085 0.000 0.504 97 Q N -2.023 117.680 119.800 -0.162 0.000 2.089 97 Q HA -0.190 4.005 4.340 -0.242 0.000 0.195 97 Q C 2.483 178.255 176.000 -0.380 0.000 0.963 97 Q CA 2.191 57.887 55.803 -0.179 0.000 0.834 97 Q CB 0.316 29.108 28.738 0.089 0.000 0.906 97 Q HN -0.534 7.722 8.270 -0.025 0.000 0.452 98 R N 0.572 120.649 120.500 -0.705 0.000 2.105 98 R HA -0.316 2.909 4.340 -1.857 0.000 0.239 98 R C 2.091 178.012 176.300 -0.631 0.000 1.135 98 R CA 3.301 58.672 56.100 -1.215 0.000 0.967 98 R CB -0.092 29.381 30.300 -1.378 0.000 0.861 98 R HN 0.064 7.971 8.270 -0.605 0.000 0.442 99 S N -1.470 113.973 115.700 -0.428 0.000 2.469 99 S HA -0.214 4.112 4.470 -0.240 0.000 0.238 99 S C 1.324 175.802 174.600 -0.203 0.000 0.998 99 S CA 2.339 60.379 58.200 -0.267 0.000 0.957 99 S CB -0.224 62.852 63.200 -0.208 0.000 0.764 99 S HN -0.270 7.765 8.310 -0.433 0.015 0.514 100 M N -0.979 118.487 119.600 -0.224 0.000 2.279 100 M HA -0.269 4.135 4.480 -0.127 0.000 0.264 100 M C 0.973 177.234 176.300 -0.065 0.000 1.062 100 M CA 3.415 58.632 55.300 -0.138 0.000 1.099 100 M CB 0.827 33.351 32.600 -0.127 0.000 1.394 100 M HN -0.561 7.408 8.290 -0.284 0.152 0.426 101 V N -10.173 109.704 119.914 -0.061 0.000 3.432 101 V HA 0.281 4.449 4.120 0.080 0.000 0.298 101 V C 0.762 176.958 176.094 0.170 0.000 1.464 101 V CA -1.348 60.997 62.300 0.075 0.000 1.046 101 V CB 0.561 32.489 31.823 0.175 0.000 0.887 101 V HN -0.579 7.483 8.190 -0.148 0.039 0.441 102 E N 2.837 123.061 120.200 0.039 0.000 2.085 102 E HA -0.250 4.214 4.350 0.191 0.000 0.194 102 E C -0.501 176.191 176.600 0.152 0.000 0.994 102 E CA 4.875 61.340 56.400 0.109 0.000 0.801 102 E CB -2.026 27.657 29.700 -0.028 0.000 0.743 102 E HN -0.547 7.773 8.360 -0.067 0.000 0.453 103 P HA -0.223 4.196 4.420 -0.002 0.000 0.216 103 P C 1.791 179.059 177.300 -0.053 0.000 1.154 103 P CA 3.041 66.138 63.100 -0.004 0.000 0.865 103 P CB -0.330 31.352 31.700 -0.030 0.000 0.789 104 T N -1.436 113.025 114.554 -0.156 0.000 2.929 104 T HA -0.289 3.898 4.350 -0.272 0.000 0.271 104 T C -0.096 174.329 174.700 -0.458 0.000 1.085 104 T CA 3.341 65.200 62.100 -0.402 0.000 1.125 104 T CB 0.059 68.502 68.868 -0.707 0.000 0.874 104 T HN -0.568 7.592 8.240 -0.109 0.014 0.494 105 F N -4.589 115.377 119.950 0.027 0.000 2.678 105 F HA 0.207 4.772 4.527 0.063 0.000 0.305 105 F C -0.529 175.328 175.800 0.095 0.000 1.090 105 F CA -0.388 57.646 58.000 0.057 0.000 1.272 105 F CB 1.186 40.214 39.000 0.047 0.000 1.060 105 F HN -0.392 7.774 8.300 0.071 0.177 0.576 106 T N -0.880 113.768 114.554 0.157 0.000 2.855 106 T HA 0.142 4.574 4.350 0.137 0.000 0.314 106 T C -0.833 173.864 174.700 -0.004 0.000 1.077 106 T CA -2.038 60.114 62.100 0.086 0.000 1.095 106 T CB 0.765 69.639 68.868 0.011 0.000 0.987 106 T HN -1.072 7.224 8.240 0.093 0.000 0.546 107 P HA -0.283 3.923 4.420 -0.357 0.000 0.215 107 P C 1.643 178.868 177.300 -0.125 0.000 1.157 107 P CA 3.312 66.227 63.100 -0.309 0.000 0.874 107 P CB -0.006 31.431 31.700 -0.438 0.000 0.790 108 E N -2.986 117.159 120.200 -0.092 0.000 2.072 108 E HA -0.287 4.029 4.350 -0.056 0.000 0.191 108 E C 1.608 178.184 176.600 -0.039 0.000 0.985 108 E CA 2.885 59.251 56.400 -0.057 0.000 0.801 108 E CB -0.684 28.986 29.700 -0.050 0.000 0.750 108 E HN 0.252 8.552 8.360 -0.099 0.000 0.452 109 A N -0.358 122.440 122.820 -0.036 0.000 1.908 109 A HA -0.216 4.081 4.320 -0.039 0.000 0.218 109 A C 2.404 179.974 177.584 -0.022 0.000 1.181 109 A CA 3.149 55.164 52.037 -0.037 0.000 0.627 109 A CB -0.712 18.254 19.000 -0.057 0.000 0.818 109 A HN -0.388 7.740 8.150 -0.037 0.000 0.445 110 V N -1.824 118.090 119.914 0.000 0.000 2.427 110 V HA -0.483 3.657 4.120 0.032 0.000 0.248 110 V C 1.648 177.757 176.094 0.026 0.000 1.051 110 V CA 4.016 66.335 62.300 0.032 0.000 1.048 110 V CB -0.876 30.997 31.823 0.083 0.000 0.666 110 V HN -0.138 8.042 8.190 0.000 0.010 0.456 111 K N -0.627 119.775 120.400 0.003 0.000 2.063 111 K HA -0.386 3.941 4.320 0.012 0.000 0.208 111 K C 2.747 179.353 176.600 0.011 0.000 1.048 111 K CA 3.521 59.810 56.287 0.004 0.000 0.928 111 K CB -0.143 32.349 32.500 -0.015 0.000 0.713 111 K HN -0.226 8.017 8.250 -0.012 0.000 0.442 112 N N -1.097 117.605 118.700 0.003 0.000 2.459 112 N HA -0.178 4.566 4.740 0.008 0.000 0.181 112 N C 1.676 177.202 175.510 0.026 0.000 1.046 112 N CA 2.113 55.166 53.050 0.006 0.000 0.904 112 N CB -0.128 38.353 38.487 -0.010 0.000 0.964 112 N HN -0.370 8.007 8.380 -0.005 0.000 0.444 113 L N -2.609 118.638 121.223 0.040 0.000 2.554 113 L HA -0.007 4.394 4.340 0.102 0.000 0.226 113 L C 0.932 177.875 176.870 0.121 0.000 1.137 113 L CA 0.632 55.529 54.840 0.096 0.000 0.863 113 L CB -0.214 41.908 42.059 0.105 0.000 0.985 113 L HN -0.468 7.634 8.230 0.029 0.145 0.451 114 Q N 1.219 121.063 119.800 0.073 0.000 2.077 114 Q HA -0.256 4.117 4.340 0.055 0.000 0.206 114 Q C -0.962 175.069 176.000 0.052 0.000 0.989 114 Q CA 4.666 60.502 55.803 0.056 0.000 0.853 114 Q CB -2.487 26.274 28.738 0.039 0.000 0.907 114 Q HN -0.424 7.707 8.270 0.056 0.173 0.418 115 P HA -0.212 4.227 4.420 0.033 0.000 0.216 115 P C 1.171 178.516 177.300 0.076 0.000 1.150 115 P CA 2.911 66.044 63.100 0.056 0.000 0.837 115 P CB -0.553 31.180 31.700 0.055 0.000 0.786 116 Y N -1.094 119.213 120.300 0.011 0.000 2.200 116 Y HA -0.368 4.193 4.550 0.018 0.000 0.290 116 Y C 1.543 177.462 175.900 0.032 0.000 1.137 116 Y CA 3.382 61.493 58.100 0.019 0.000 1.163 116 Y CB 0.103 38.572 38.460 0.015 0.000 0.988 116 Y HN -0.878 7.536 8.280 0.223 0.000 0.518 117 I N -0.868 119.578 120.570 -0.206 0.000 2.163 117 I HA -0.681 3.219 4.170 -0.450 0.000 0.243 117 I C 1.815 177.816 176.117 -0.194 0.000 1.085 117 I CA 4.270 65.414 61.300 -0.260 0.000 1.347 117 I CB -0.424 37.540 38.000 -0.059 0.000 1.044 117 I HN -0.281 7.939 8.210 0.016 0.000 0.408 118 Q N -0.588 119.155 119.800 -0.096 0.000 2.061 118 Q HA -0.404 3.905 4.340 -0.052 0.000 0.204 118 Q C 1.789 177.744 176.000 -0.074 0.000 0.984 118 Q CA 3.297 59.063 55.803 -0.061 0.000 0.846 118 Q CB -0.418 28.306 28.738 -0.024 0.000 0.902 118 Q HN -0.057 8.176 8.270 -0.062 0.000 0.421 119 R N -0.860 119.590 120.500 -0.084 0.000 2.096 119 R HA -0.306 4.014 4.340 -0.033 0.000 0.235 119 R C 2.356 178.612 176.300 -0.073 0.000 1.127 119 R CA 3.496 59.562 56.100 -0.056 0.000 0.968 119 R CB -0.122 30.169 30.300 -0.014 0.000 0.861 119 R HN -0.282 7.938 8.270 -0.084 0.000 0.440 120 T N 2.267 116.710 114.554 -0.184 0.000 2.708 120 T HA -0.348 3.986 4.350 -0.028 0.000 0.266 120 T C 1.873 176.541 174.700 -0.054 0.000 1.037 120 T CA 5.051 67.072 62.100 -0.132 0.000 1.146 120 T CB -0.123 68.556 68.868 -0.315 0.000 0.865 120 T HN -0.340 7.719 8.240 -0.302 0.000 0.435 121 V N 1.740 121.611 119.914 -0.071 0.000 2.295 121 V HA -0.514 3.637 4.120 0.053 0.000 0.246 121 V C 1.716 177.844 176.094 0.057 0.000 1.049 121 V CA 4.297 66.612 62.300 0.025 0.000 1.024 121 V CB -0.842 30.991 31.823 0.017 0.000 0.648 121 V HN -0.405 7.715 8.190 -0.117 0.000 0.447 122 D N 0.118 120.513 120.400 -0.008 0.000 2.123 122 D HA -0.319 4.281 4.640 -0.066 0.000 0.196 122 D C 2.543 178.835 176.300 -0.013 0.000 0.992 122 D CA 3.634 57.613 54.000 -0.035 0.000 0.833 122 D CB -0.741 40.033 40.800 -0.043 0.000 0.954 122 D HN 0.007 8.362 8.370 -0.026 0.000 0.455 123 D N 0.038 120.452 120.400 0.024 0.000 2.117 123 D HA -0.164 4.501 4.640 0.042 0.000 0.198 123 D C 2.591 178.938 176.300 0.078 0.000 0.982 123 D CA 3.139 57.174 54.000 0.059 0.000 0.828 123 D CB -0.170 40.692 40.800 0.103 0.000 0.967 123 D HN -0.267 8.116 8.370 0.021 0.000 0.464 124 L N -0.819 120.462 121.223 0.097 0.000 2.093 124 L HA -0.310 4.097 4.340 0.110 0.000 0.208 124 L C 2.082 179.017 176.870 0.109 0.000 1.085 124 L CA 3.050 57.963 54.840 0.122 0.000 0.755 124 L CB -0.032 42.099 42.059 0.120 0.000 0.904 124 L HN -0.622 7.662 8.230 0.090 0.000 0.435 125 L N -1.682 119.568 121.223 0.045 0.000 2.046 125 L HA -0.398 3.868 4.340 -0.124 0.000 0.208 125 L C 2.384 179.201 176.870 -0.089 0.000 1.077 125 L CA 3.072 57.840 54.840 -0.120 0.000 0.747 125 L CB -0.544 41.329 42.059 -0.310 0.000 0.896 125 L HN -0.184 8.087 8.230 0.068 0.000 0.432 126 E N -0.820 119.342 120.200 -0.064 0.000 2.106 126 E HA -0.348 3.962 4.350 -0.067 0.000 0.192 126 E C 2.352 178.971 176.600 0.031 0.000 0.984 126 E CA 2.892 59.272 56.400 -0.034 0.000 0.806 126 E CB -0.544 29.141 29.700 -0.026 0.000 0.750 126 E HN -0.263 8.067 8.360 -0.050 0.000 0.458 127 Q N -1.356 118.475 119.800 0.052 0.000 2.364 127 Q HA -0.220 4.164 4.340 0.074 0.000 0.207 127 Q C 2.581 178.627 176.000 0.078 0.000 0.970 127 Q CA 1.724 57.570 55.803 0.073 0.000 0.888 127 Q CB -0.612 28.179 28.738 0.087 0.000 0.951 127 Q HN -0.378 7.924 8.270 0.052 0.000 0.469 128 M N 1.194 120.832 119.600 0.063 0.000 2.123 128 M HA -0.440 4.072 4.480 0.054 0.000 0.263 128 M C 1.750 178.132 176.300 0.137 0.000 1.069 128 M CA 4.863 60.184 55.300 0.035 0.000 1.133 128 M CB -0.122 32.362 32.600 -0.194 0.000 1.356 128 M HN 0.010 8.209 8.290 0.052 0.122 0.415 129 K N -0.467 120.055 120.400 0.204 0.000 2.032 129 K HA -0.423 4.170 4.320 0.454 0.000 0.209 129 K C 2.500 179.233 176.600 0.222 0.000 1.048 129 K CA 3.158 59.628 56.287 0.304 0.000 0.927 129 K CB -0.196 32.422 32.500 0.197 0.000 0.712 129 K HN -0.420 7.936 8.250 0.175 0.000 0.441 130 Q N -3.000 116.883 119.800 0.137 0.000 2.079 130 Q HA -0.265 4.135 4.340 0.100 0.000 0.200 130 Q C 2.278 178.343 176.000 0.108 0.000 0.974 130 Q CA 2.551 58.417 55.803 0.105 0.000 0.840 130 Q CB 0.286 29.070 28.738 0.076 0.000 0.898 130 Q HN -0.386 7.954 8.270 0.116 0.000 0.430 131 K N -1.407 119.064 120.400 0.118 0.000 2.097 131 K HA -0.285 4.082 4.320 0.079 0.000 0.206 131 K C 0.851 177.519 176.600 0.112 0.000 1.049 131 K CA 1.448 57.796 56.287 0.103 0.000 0.933 131 K CB 0.716 33.275 32.500 0.097 0.000 0.717 131 K HN -0.105 8.218 8.250 0.121 0.000 0.442 132 G N -1.461 107.457 108.800 0.196 0.000 2.806 132 G HA2 -0.264 3.869 3.960 0.288 0.000 0.236 132 G HA3 -0.264 3.740 3.960 0.073 0.000 0.236 132 G C -1.084 173.791 174.900 -0.042 0.000 1.387 132 G CA 0.001 45.189 45.100 0.147 0.000 0.884 132 G HN 0.027 8.357 8.290 0.253 0.112 0.560 133 C N -3.222 115.887 119.300 -0.317 0.000 3.144 133 C HA 0.371 4.743 4.460 -0.242 -0.057 0.253 133 C C 1.197 176.036 174.990 -0.252 0.000 2.010 133 C CA -3.132 55.658 59.018 -0.380 0.000 1.698 133 C CB -2.129 25.147 27.740 -0.773 0.000 3.346 133 C HN 0.288 8.322 8.230 -0.326 0.000 0.449 134 A N 2.285 125.012 122.820 -0.155 0.000 2.070 134 A HA -0.292 3.956 4.320 -0.120 0.000 0.220 134 A C 0.548 178.080 177.584 -0.086 0.000 1.159 134 A CA 2.449 54.422 52.037 -0.107 0.000 0.656 134 A CB -0.425 18.538 19.000 -0.062 0.000 0.800 134 A HN 0.471 8.545 8.150 -0.127 0.000 0.453 135 N N -3.707 114.946 118.700 -0.079 0.000 2.230 135 N HA 0.069 4.777 4.740 -0.053 0.000 0.202 135 N C -0.448 175.021 175.510 -0.068 0.000 1.119 135 N CA -0.532 52.483 53.050 -0.059 0.000 0.851 135 N CB 0.267 38.730 38.487 -0.040 0.000 0.990 135 N HN -0.128 8.162 8.380 -0.084 0.040 0.497 136 G N -0.384 108.357 108.800 -0.098 0.000 2.331 136 G HA2 -0.198 3.697 3.960 -0.107 0.000 0.402 136 G HA3 -0.198 3.716 3.960 -0.077 0.000 0.402 136 G C -3.417 171.409 174.900 -0.123 0.000 1.275 136 G CA -0.784 44.256 45.100 -0.100 0.000 1.003 136 G HN -0.652 7.384 8.290 -0.121 0.181 0.500 137 P HA 0.227 4.706 4.420 -0.148 -0.147 0.270 137 P C -0.862 176.400 177.300 -0.065 0.000 1.223 137 P CA -0.247 62.792 63.100 -0.103 0.000 0.785 137 P CB 0.628 32.287 31.700 -0.069 0.000 0.923 138 V N -3.441 116.452 119.914 -0.035 0.000 3.046 138 V HA 0.452 4.572 4.120 0.000 0.000 0.316 138 V C -2.154 173.951 176.094 0.018 0.000 1.104 138 V CA -3.252 59.055 62.300 0.012 0.000 1.006 138 V CB 3.605 35.468 31.823 0.066 0.000 1.058 138 V HN 0.199 8.365 8.190 -0.040 0.000 0.440 139 D N 1.095 121.505 120.400 0.017 0.000 2.339 139 D HA 0.015 4.788 4.640 0.005 -0.130 0.241 139 D C 0.298 176.613 176.300 0.026 0.000 1.183 139 D CA -0.745 53.262 54.000 0.012 0.000 0.859 139 D CB 0.343 41.146 40.800 0.004 0.000 1.067 139 D HN 0.361 8.742 8.370 0.018 0.000 0.484 140 L N 8.240 129.480 121.223 0.028 0.000 2.187 140 L HA -0.261 4.108 4.340 0.048 0.000 0.213 140 L C 0.590 177.507 176.870 0.078 0.000 1.100 140 L CA 2.284 57.156 54.840 0.053 0.000 0.765 140 L CB 0.279 42.365 42.059 0.045 0.000 0.904 140 L HN 0.319 8.561 8.230 0.020 0.000 0.437 141 V N -1.882 118.054 119.914 0.036 0.000 2.223 141 V HA -0.547 3.583 4.120 0.018 0.000 0.244 141 V C 1.669 177.764 176.094 0.001 0.000 1.045 141 V CA 4.538 66.846 62.300 0.013 0.000 1.000 141 V CB -0.838 30.982 31.823 -0.006 0.000 0.635 141 V HN -0.194 8.226 8.190 0.023 -0.215 0.445 142 K N -0.122 120.279 120.400 0.002 0.000 2.063 142 K HA -0.319 3.992 4.320 -0.015 0.000 0.208 142 K C 1.986 178.587 176.600 0.002 0.000 1.048 142 K CA 2.843 59.128 56.287 -0.003 0.000 0.928 142 K CB -0.097 32.406 32.500 0.004 0.000 0.713 142 K HN -0.821 7.666 8.250 0.005 -0.235 0.442 143 E N -5.109 115.111 120.200 0.034 0.000 2.371 143 E HA -0.153 4.219 4.350 0.036 0.000 0.194 143 E C -0.145 176.520 176.600 0.110 0.000 1.012 143 E CA 1.345 57.777 56.400 0.054 0.000 0.860 143 E CB 0.395 30.129 29.700 0.056 0.000 0.811 143 E HN -0.328 8.037 8.360 0.040 0.019 0.502 144 F N -2.736 117.148 119.950 -0.110 0.000 1.769 144 F HA 0.149 4.581 4.527 -0.158 0.000 0.246 144 F C -1.028 174.690 175.800 -0.137 0.000 1.187 144 F CA 1.483 59.402 58.000 -0.136 0.000 1.306 144 F CB 1.838 40.762 39.000 -0.126 0.000 1.792 144 F HN -0.698 7.600 8.300 0.087 0.053 0.401 145 A N 0.437 123.173 122.820 -0.139 0.000 1.972 145 A HA -0.279 3.798 4.320 -0.404 0.000 0.219 145 A C 1.488 178.939 177.584 -0.222 0.000 1.169 145 A CA 3.141 55.041 52.037 -0.230 0.000 0.635 145 A CB -0.315 18.661 19.000 -0.040 0.000 0.810 145 A HN 0.011 8.198 8.150 0.060 0.000 0.446 146 L N -0.818 120.309 121.223 -0.161 0.000 2.023 146 L HA -0.041 4.227 4.340 -0.121 0.000 0.205 146 L C -1.559 175.182 176.870 -0.215 0.000 1.073 146 L CA 4.378 59.133 54.840 -0.142 0.000 0.745 146 L CB -2.163 39.846 42.059 -0.083 0.000 0.900 146 L HN -0.152 7.991 8.230 -0.122 0.014 0.435 147 P HA -0.164 3.962 4.420 -0.489 0.000 0.221 147 P C 1.780 178.715 177.300 -0.609 0.000 1.150 147 P CA 2.408 65.142 63.100 -0.611 0.000 0.800 147 P CB -0.391 30.783 31.700 -0.876 0.000 0.787 148 V N 0.061 119.668 119.914 -0.511 0.000 2.220 148 V HA -0.325 3.564 4.120 -0.386 0.000 0.246 148 V C -0.521 175.445 176.094 -0.213 0.000 1.049 148 V CA 5.904 67.953 62.300 -0.419 0.000 1.003 148 V CB -3.103 28.359 31.823 -0.602 0.000 0.634 148 V HN -0.144 7.720 8.190 -0.544 0.000 0.444 149 P HA 0.050 4.612 4.420 -0.040 -0.166 0.217 149 P C 2.276 179.562 177.300 -0.023 0.000 1.151 149 P CA 2.758 65.816 63.100 -0.070 0.000 0.828 149 P CB -0.223 31.436 31.700 -0.069 0.000 0.788 150 S N 0.857 116.541 115.700 -0.027 0.000 2.355 150 S HA -0.194 4.347 4.470 -0.091 -0.126 0.222 150 S C 2.185 176.968 174.600 0.306 0.000 1.031 150 S CA 3.935 62.169 58.200 0.056 0.000 0.993 150 S CB -0.263 63.024 63.200 0.145 0.000 0.859 150 S HN -0.647 7.593 8.310 -0.081 0.021 0.453 151 Y N 0.850 121.212 120.300 0.102 0.000 2.224 151 Y HA -0.248 4.440 4.550 0.231 0.000 0.289 151 Y C 2.515 178.545 175.900 0.215 0.000 1.146 151 Y CA 1.428 59.630 58.100 0.170 0.000 1.182 151 Y CB -0.847 37.679 38.460 0.111 0.000 0.983 151 Y HN -0.177 8.275 8.280 0.286 0.000 0.524 152 I N -0.302 120.455 120.570 0.312 0.000 2.142 152 I HA -0.433 4.020 4.170 0.472 0.000 0.240 152 I C 2.421 178.692 176.117 0.257 0.000 1.078 152 I CA 3.988 65.477 61.300 0.315 0.000 1.343 152 I CB 0.203 38.316 38.000 0.188 0.000 1.046 152 I HN -0.728 7.621 8.210 0.232 0.000 0.405 153 I N -0.038 120.621 120.570 0.148 0.000 2.315 153 I HA -0.449 3.805 4.170 0.140 0.000 0.248 153 I C 1.317 177.507 176.117 0.121 0.000 1.117 153 I CA 2.075 63.433 61.300 0.097 0.000 1.404 153 I CB -0.259 37.739 38.000 -0.003 0.000 1.071 153 I HN -0.368 7.909 8.210 0.111 0.000 0.419 154 Y N -1.349 119.028 120.300 0.128 0.000 2.181 154 Y HA -0.441 4.169 4.550 0.099 0.000 0.288 154 Y C 2.409 178.371 175.900 0.103 0.000 1.146 154 Y CA 3.460 61.621 58.100 0.102 0.000 1.164 154 Y CB -0.839 37.661 38.460 0.067 0.000 0.982 154 Y HN -0.146 8.227 8.280 0.154 0.000 0.515 155 T N 2.521 117.249 114.554 0.290 0.000 2.708 155 T HA -0.391 4.061 4.350 0.169 0.000 0.266 155 T C 1.569 176.322 174.700 0.088 0.000 1.037 155 T CA 4.290 66.502 62.100 0.186 0.000 1.146 155 T CB 0.114 69.122 68.868 0.232 0.000 0.865 155 T HN -0.420 8.016 8.240 0.328 0.000 0.435 156 L N 0.125 121.398 121.223 0.084 0.000 2.083 156 L HA -0.383 3.921 4.340 -0.060 0.000 0.209 156 L C 1.866 178.763 176.870 0.045 0.000 1.083 156 L CA 3.078 57.923 54.840 0.008 0.000 0.752 156 L CB -0.447 41.607 42.059 -0.008 0.000 0.899 156 L HN -0.226 8.086 8.230 0.138 0.000 0.433 157 L N -3.861 117.433 121.223 0.118 0.000 2.093 157 L HA -0.368 4.047 4.340 0.124 0.000 0.208 157 L C 1.112 178.059 176.870 0.127 0.000 1.085 157 L CA 2.863 57.789 54.840 0.143 0.000 0.755 157 L CB 0.416 42.600 42.059 0.209 0.000 0.904 157 L HN -0.104 8.200 8.230 0.148 0.014 0.435 158 G N -6.525 102.354 108.800 0.132 0.000 2.321 158 G HA2 -0.266 3.782 3.960 0.071 0.000 0.174 158 G HA3 -0.266 3.824 3.960 0.093 -0.074 0.174 158 G C -1.027 173.951 174.900 0.130 0.000 1.008 158 G CA -0.692 44.470 45.100 0.103 0.000 0.739 158 G HN -0.443 7.938 8.290 0.151 0.000 0.502 159 V N 3.738 123.756 119.914 0.173 0.000 2.585 159 V HA 0.046 4.288 4.120 0.204 0.000 0.296 159 V C -1.347 174.810 176.094 0.104 0.000 1.035 159 V CA -1.485 60.907 62.300 0.153 0.000 1.084 159 V CB -0.344 31.510 31.823 0.052 0.000 0.953 159 V HN -0.379 7.933 8.190 0.203 0.000 0.483 160 P HA 0.182 4.672 4.420 0.116 0.000 0.277 160 P C 0.356 177.707 177.300 0.084 0.000 1.240 160 P CA -1.135 62.027 63.100 0.103 0.000 0.798 160 P CB 1.123 32.877 31.700 0.090 0.000 0.979 161 F N 3.113 123.041 119.950 -0.035 0.000 2.120 161 F HA -0.461 4.004 4.527 -0.103 0.000 0.300 161 F C 1.267 177.008 175.800 -0.098 0.000 1.095 161 F CA 4.184 62.140 58.000 -0.074 0.000 1.249 161 F CB 0.517 39.495 39.000 -0.037 0.000 0.995 161 F HN 0.206 8.683 8.300 0.295 0.000 0.480 162 N N -1.802 116.890 118.700 -0.014 0.000 2.205 162 N HA -0.284 4.370 4.740 -0.143 0.000 0.186 162 N C 1.256 176.656 175.510 -0.184 0.000 1.015 162 N CA 2.834 55.823 53.050 -0.100 0.000 0.862 162 N CB -0.644 37.849 38.487 0.009 0.000 0.986 162 N HN 0.036 8.472 8.380 0.123 0.018 0.429 163 D N -0.938 119.365 120.400 -0.161 0.000 2.339 163 D HA 0.144 4.715 4.640 -0.115 0.000 0.217 163 D C 1.017 177.141 176.300 -0.294 0.000 1.050 163 D CA 0.840 54.742 54.000 -0.163 0.000 0.856 163 D CB 0.211 40.960 40.800 -0.086 0.000 0.922 163 D HN -0.475 7.751 8.370 -0.137 0.062 0.518 164 L N -1.100 119.874 121.223 -0.414 0.000 2.046 164 L HA -0.425 3.616 4.340 -0.498 0.000 0.208 164 L C 1.707 178.380 176.870 -0.329 0.000 1.077 164 L CA 3.742 58.274 54.840 -0.513 0.000 0.747 164 L CB -0.177 41.333 42.059 -0.916 0.000 0.896 164 L HN -0.676 7.163 8.230 -0.448 0.122 0.432 165 E N -2.013 118.034 120.200 -0.256 0.000 2.058 165 E HA -0.435 3.971 4.350 0.092 0.000 0.194 165 E C 2.225 178.833 176.600 0.012 0.000 0.997 165 E CA 3.243 59.626 56.400 -0.029 0.000 0.801 165 E CB -0.345 29.343 29.700 -0.020 0.000 0.746 165 E HN 0.058 8.214 8.360 -0.341 0.000 0.450 166 Y N -0.484 119.738 120.300 -0.128 0.000 2.184 166 Y HA -0.307 4.205 4.550 -0.064 0.000 0.290 166 Y C 1.452 177.276 175.900 -0.128 0.000 1.129 166 Y CA 3.302 61.337 58.100 -0.108 0.000 1.144 166 Y CB -0.009 38.380 38.460 -0.118 0.000 0.995 166 Y HN -0.235 8.080 8.280 0.059 0.000 0.513 167 L N -2.767 118.308 121.223 -0.247 0.000 2.201 167 L HA -0.397 3.701 4.340 -0.404 0.000 0.212 167 L C 2.342 179.150 176.870 -0.102 0.000 1.105 167 L CA 2.744 57.350 54.840 -0.390 0.000 0.775 167 L CB -0.557 40.998 42.059 -0.839 0.000 0.913 167 L HN -0.406 7.712 8.230 -0.186 0.000 0.440 168 T N 1.669 116.244 114.554 0.035 0.000 2.708 168 T HA -0.483 4.093 4.350 0.378 0.000 0.266 168 T C 1.496 176.221 174.700 0.042 0.000 1.037 168 T CA 5.555 67.780 62.100 0.209 0.000 1.146 168 T CB -0.303 68.736 68.868 0.285 0.000 0.865 168 T HN -0.080 8.117 8.240 -0.042 0.018 0.435 169 Q N 1.042 120.803 119.800 -0.065 0.000 2.084 169 Q HA -0.420 3.883 4.340 -0.061 0.000 0.202 169 Q C 2.307 178.210 176.000 -0.163 0.000 0.978 169 Q CA 3.433 59.167 55.803 -0.115 0.000 0.844 169 Q CB -0.129 28.517 28.738 -0.154 0.000 0.898 169 Q HN -0.520 7.704 8.270 -0.078 0.000 0.426 170 Q N -1.743 117.885 119.800 -0.287 0.000 2.079 170 Q HA -0.314 3.895 4.340 -0.218 0.000 0.200 170 Q C 2.504 178.462 176.000 -0.069 0.000 0.974 170 Q CA 2.392 58.054 55.803 -0.235 0.000 0.840 170 Q CB -0.562 27.962 28.738 -0.357 0.000 0.898 170 Q HN -0.301 7.738 8.270 -0.385 0.000 0.430 171 N N -0.094 118.607 118.700 0.002 0.000 2.223 171 N HA -0.413 4.356 4.740 0.049 0.000 0.185 171 N C 1.541 177.046 175.510 -0.007 0.000 1.016 171 N CA 2.908 55.979 53.050 0.035 0.000 0.863 171 N CB -0.141 38.389 38.487 0.072 0.000 0.983 171 N HN -0.321 8.068 8.380 0.015 0.000 0.429 172 A N -0.558 122.251 122.820 -0.018 0.000 1.933 172 A HA -0.245 4.058 4.320 -0.029 0.000 0.218 172 A C 1.773 179.342 177.584 -0.025 0.000 1.175 172 A CA 2.606 54.627 52.037 -0.026 0.000 0.628 172 A CB -0.429 18.555 19.000 -0.027 0.000 0.814 172 A HN -0.649 7.492 8.150 -0.015 0.000 0.444 173 I N -2.793 117.759 120.570 -0.030 0.000 2.361 173 I HA -0.475 3.825 4.170 -0.021 -0.142 0.251 173 I C 2.502 178.614 176.117 -0.008 0.000 1.133 173 I CA 3.531 64.818 61.300 -0.022 0.000 1.413 173 I CB -0.279 37.702 38.000 -0.031 0.000 1.073 173 I HN -0.489 7.610 8.210 -0.041 0.087 0.424 174 R N -3.715 116.786 120.500 0.001 0.000 2.117 174 R HA -0.274 4.081 4.340 0.025 0.000 0.243 174 R C 1.092 177.392 176.300 -0.001 0.000 1.143 174 R CA 3.015 59.124 56.100 0.014 0.000 0.968 174 R CB -0.019 30.297 30.300 0.027 0.000 0.863 174 R HN -0.437 7.815 8.270 -0.000 0.018 0.444 175 T N -7.672 106.874 114.554 -0.014 0.000 3.010 175 T HA 0.058 4.398 4.350 -0.017 0.000 0.257 175 T C -0.111 174.578 174.700 -0.018 0.000 1.020 175 T CA -0.644 61.444 62.100 -0.019 0.000 0.938 175 T CB 1.752 70.602 68.868 -0.030 0.000 1.049 175 T HN -0.590 7.617 8.240 -0.016 0.023 0.522 176 N N 3.132 121.822 118.700 -0.016 0.000 2.412 176 N HA -0.190 4.541 4.740 -0.016 0.000 0.258 176 N C 1.676 177.179 175.510 -0.012 0.000 1.236 176 N CA 0.003 53.044 53.050 -0.015 0.000 0.882 176 N CB 0.986 39.464 38.487 -0.015 0.000 1.066 176 N HN -0.505 7.865 8.380 -0.016 0.000 0.465 177 G N 1.127 109.921 108.800 -0.011 0.000 2.462 177 G HA2 -0.217 3.736 3.960 -0.011 0.000 0.220 177 G HA3 -0.217 3.738 3.960 -0.007 0.000 0.220 177 G C -0.021 174.875 174.900 -0.008 0.000 1.121 177 G CA 1.588 46.683 45.100 -0.009 0.000 0.758 177 G HN 0.308 8.592 8.290 -0.011 0.000 0.559 178 S N -2.542 113.154 115.700 -0.007 0.000 2.562 178 S HA 0.004 4.471 4.470 -0.005 0.000 0.221 178 S C 0.436 175.033 174.600 -0.005 0.000 0.975 178 S CA -0.157 58.039 58.200 -0.005 0.000 0.918 178 S CB -0.576 62.621 63.200 -0.005 0.000 0.772 178 S HN -0.392 7.879 8.310 -0.008 0.034 0.531 179 S N 4.119 119.816 115.700 -0.006 0.000 2.562 179 S HA -0.044 4.576 4.470 -0.003 -0.152 0.281 179 S C 0.740 175.338 174.600 -0.003 0.000 1.333 179 S CA 0.569 58.766 58.200 -0.004 0.000 1.052 179 S CB 0.992 64.190 63.200 -0.004 0.000 0.884 179 S HN -0.628 7.632 8.310 -0.007 0.045 0.506 180 T N 1.743 116.297 114.554 -0.000 0.000 2.766 180 T HA 0.072 4.421 4.350 -0.002 0.000 0.295 180 T C 1.344 176.044 174.700 0.001 0.000 1.024 180 T CA -1.269 60.831 62.100 0.000 0.000 1.018 180 T CB 2.044 70.914 68.868 0.002 0.000 1.002 180 T HN 0.186 8.757 8.240 0.001 -0.330 0.532 181 A N 2.200 125.019 122.820 -0.001 0.000 1.908 181 A HA -0.319 4.001 4.320 -0.001 0.000 0.218 181 A C 2.611 180.198 177.584 0.005 0.000 1.181 181 A CA 3.100 55.137 52.037 0.000 0.000 0.627 181 A CB -0.642 18.357 19.000 -0.002 0.000 0.818 181 A HN 0.687 8.836 8.150 -0.001 0.000 0.445 182 R N -2.172 118.331 120.500 0.006 0.000 2.081 182 R HA -0.254 4.091 4.340 0.009 0.000 0.235 182 R C 2.910 179.217 176.300 0.011 0.000 1.131 182 R CA 3.725 59.830 56.100 0.009 0.000 0.960 182 R CB -0.105 30.200 30.300 0.009 0.000 0.856 182 R HN 0.154 8.427 8.270 0.005 0.000 0.436 183 E N -0.412 119.794 120.200 0.010 0.000 2.077 183 E HA -0.344 4.015 4.350 0.014 0.000 0.193 183 E C 2.351 178.959 176.600 0.013 0.000 0.989 183 E CA 2.911 59.318 56.400 0.011 0.000 0.800 183 E CB -0.264 29.441 29.700 0.007 0.000 0.746 183 E HN -0.491 7.874 8.360 0.008 0.000 0.452 184 A N -0.820 122.007 122.820 0.012 0.000 1.902 184 A HA -0.283 4.047 4.320 0.017 0.000 0.217 184 A C 2.031 179.632 177.584 0.029 0.000 1.181 184 A CA 3.162 55.210 52.037 0.017 0.000 0.623 184 A CB -0.529 18.478 19.000 0.012 0.000 0.818 184 A HN -0.056 8.099 8.150 0.009 0.000 0.443 185 S N -0.441 115.273 115.700 0.023 0.000 2.368 185 S HA -0.359 4.129 4.470 0.031 0.000 0.225 185 S C 1.993 176.608 174.600 0.025 0.000 1.030 185 S CA 4.208 62.422 58.200 0.024 0.000 0.999 185 S CB -0.371 62.838 63.200 0.015 0.000 0.844 185 S HN -0.283 8.037 8.310 0.017 0.000 0.459 186 A N 0.708 123.542 122.820 0.024 0.000 1.902 186 A HA -0.286 4.048 4.320 0.023 0.000 0.217 186 A C 1.231 178.837 177.584 0.036 0.000 1.181 186 A CA 2.830 54.883 52.037 0.026 0.000 0.623 186 A CB -0.763 18.253 19.000 0.027 0.000 0.818 186 A HN -0.201 7.962 8.150 0.021 0.000 0.443 187 A N -0.928 121.915 122.820 0.037 0.000 1.898 187 A HA -0.339 4.005 4.320 0.041 0.000 0.216 187 A C 1.418 179.050 177.584 0.081 0.000 1.181 187 A CA 2.722 54.786 52.037 0.045 0.000 0.620 187 A CB -0.530 18.485 19.000 0.024 0.000 0.819 187 A HN -0.240 7.929 8.150 0.032 0.000 0.442 188 N N -1.590 117.165 118.700 0.093 0.000 2.069 188 N HA -0.415 4.482 4.740 0.262 0.000 0.191 188 N C 1.695 177.210 175.510 0.008 0.000 1.031 188 N CA 3.864 56.995 53.050 0.136 0.000 0.852 188 N CB 0.084 38.647 38.487 0.128 0.000 1.018 188 N HN -0.291 8.134 8.380 0.075 0.000 0.423 189 Q N -0.586 119.210 119.800 -0.008 0.000 2.245 189 Q HA -0.201 4.073 4.340 -0.111 0.000 0.201 189 Q C 1.779 177.775 176.000 -0.008 0.000 0.955 189 Q CA 2.400 58.175 55.803 -0.047 0.000 0.870 189 Q CB -0.119 28.604 28.738 -0.026 0.000 0.945 189 Q HN -0.327 7.951 8.270 0.014 0.000 0.461 190 E N 1.125 121.349 120.200 0.040 0.000 2.077 190 E HA -0.310 4.090 4.350 0.083 0.000 0.193 190 E C 2.259 178.931 176.600 0.119 0.000 0.989 190 E CA 3.161 59.611 56.400 0.084 0.000 0.800 190 E CB -0.147 29.613 29.700 0.100 0.000 0.746 190 E HN -0.404 7.981 8.360 0.042 0.000 0.452 191 L N -1.436 119.859 121.223 0.120 0.000 2.056 191 L HA -0.317 4.144 4.340 0.201 0.000 0.207 191 L C 2.345 179.300 176.870 0.141 0.000 1.078 191 L CA 2.986 57.942 54.840 0.193 0.000 0.749 191 L CB -0.121 42.148 42.059 0.349 0.000 0.901 191 L HN -0.342 7.952 8.230 0.107 0.000 0.433 192 L N -0.934 120.235 121.223 -0.090 0.000 2.042 192 L HA -0.492 3.730 4.340 -0.197 0.000 0.210 192 L C 2.164 179.021 176.870 -0.023 0.000 1.076 192 L CA 3.570 58.301 54.840 -0.182 0.000 0.749 192 L CB -0.668 41.173 42.059 -0.363 0.000 0.893 192 L HN -0.441 7.699 8.230 -0.150 0.000 0.432 193 D N -1.417 118.995 120.400 0.019 0.000 2.144 193 D HA -0.264 4.381 4.640 0.007 0.000 0.200 193 D C 2.324 178.673 176.300 0.082 0.000 0.978 193 D CA 3.327 57.350 54.000 0.038 0.000 0.833 193 D CB -0.193 40.631 40.800 0.041 0.000 0.961 193 D HN -0.212 8.167 8.370 0.014 0.000 0.470 194 Y N 1.300 121.616 120.300 0.026 0.000 2.114 194 Y HA -0.425 4.143 4.550 0.030 0.000 0.284 194 Y C 1.677 177.605 175.900 0.046 0.000 1.143 194 Y CA 3.841 61.965 58.100 0.041 0.000 1.135 194 Y CB 0.303 38.801 38.460 0.063 0.000 0.980 194 Y HN -0.579 7.857 8.280 0.261 0.000 0.499 195 L N -2.753 118.634 121.223 0.274 0.000 2.083 195 L HA -0.524 3.945 4.340 0.216 0.000 0.209 195 L C 2.078 178.978 176.870 0.050 0.000 1.083 195 L CA 2.813 57.765 54.840 0.188 0.000 0.752 195 L CB -0.572 41.627 42.059 0.234 0.000 0.899 195 L HN -0.143 8.285 8.230 0.329 0.000 0.433 196 A N -0.583 122.249 122.820 0.020 0.000 1.933 196 A HA -0.339 3.983 4.320 0.002 0.000 0.218 196 A C 1.960 179.517 177.584 -0.046 0.000 1.175 196 A CA 3.071 55.102 52.037 -0.010 0.000 0.628 196 A CB -0.787 18.205 19.000 -0.014 0.000 0.814 196 A HN -0.259 7.899 8.150 0.034 0.013 0.444 197 I N -1.482 119.029 120.570 -0.099 0.000 2.252 197 I HA -0.541 3.570 4.170 -0.099 0.000 0.245 197 I C 1.765 177.792 176.117 -0.149 0.000 1.102 197 I CA 4.016 65.231 61.300 -0.142 0.000 1.385 197 I CB -0.101 37.768 38.000 -0.219 0.000 1.064 197 I HN -0.725 7.423 8.210 -0.103 0.000 0.414 198 L N -1.246 119.869 121.223 -0.181 0.000 2.046 198 L HA -0.467 3.796 4.340 -0.129 0.000 0.208 198 L C 2.045 178.894 176.870 -0.036 0.000 1.077 198 L CA 3.155 57.929 54.840 -0.111 0.000 0.747 198 L CB -0.706 41.328 42.059 -0.041 0.000 0.896 198 L HN -0.518 7.579 8.230 -0.222 0.000 0.432 199 V N -0.023 119.883 119.914 -0.013 0.000 2.343 199 V HA -0.445 3.683 4.120 0.013 0.000 0.247 199 V C 2.674 178.761 176.094 -0.011 0.000 1.051 199 V CA 3.795 66.097 62.300 0.003 0.000 1.036 199 V CB -0.933 30.901 31.823 0.017 0.000 0.654 199 V HN 0.006 8.189 8.190 -0.012 0.000 0.451 200 E N -1.302 118.882 120.200 -0.025 0.000 2.085 200 E HA -0.389 3.951 4.350 -0.017 0.000 0.194 200 E C 2.848 179.432 176.600 -0.027 0.000 0.994 200 E CA 3.289 59.673 56.400 -0.025 0.000 0.801 200 E CB -0.696 28.984 29.700 -0.034 0.000 0.743 200 E HN -0.468 7.872 8.360 -0.033 0.000 0.453 201 Q N -0.996 118.781 119.800 -0.038 0.000 2.079 201 Q HA -0.269 4.052 4.340 -0.032 0.000 0.200 201 Q C 2.734 178.721 176.000 -0.021 0.000 0.974 201 Q CA 3.146 58.928 55.803 -0.035 0.000 0.840 201 Q CB 0.056 28.764 28.738 -0.049 0.000 0.898 201 Q HN -0.323 7.903 8.270 -0.049 0.014 0.430 202 R N -2.927 117.565 120.500 -0.014 0.000 2.189 202 R HA -0.168 4.357 4.340 -0.006 -0.188 0.218 202 R C 1.826 178.124 176.300 -0.003 0.000 1.074 202 R CA 0.618 56.715 56.100 -0.005 0.000 0.991 202 R CB -0.575 29.728 30.300 0.005 0.000 0.883 202 R HN -0.203 8.057 8.270 -0.016 0.000 0.457 203 L N -1.509 119.712 121.223 -0.004 0.000 2.093 203 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 203 L C 1.223 178.089 176.870 -0.005 0.000 1.085 203 L CA 2.214 57.053 54.840 -0.003 0.000 0.755 203 L CB 0.265 42.323 42.059 -0.002 0.000 0.904 203 L HN -0.355 7.848 8.230 -0.006 0.023 0.435 204 V N -1.978 117.931 119.914 -0.009 0.000 2.407 204 V HA -0.307 3.808 4.120 -0.008 0.000 0.245 204 V C 0.348 176.436 176.094 -0.009 0.000 1.041 204 V CA 3.221 65.516 62.300 -0.009 0.000 1.040 204 V CB 0.331 32.146 31.823 -0.012 0.000 0.671 204 V HN -0.858 7.326 8.190 -0.011 0.000 0.455 205 E N -1.406 118.789 120.200 -0.009 0.000 2.731 205 E HA 0.423 4.768 4.350 -0.008 0.000 0.248 205 E C -1.908 174.688 176.600 -0.008 0.000 1.084 205 E CA -3.605 52.790 56.400 -0.009 0.000 0.776 205 E CB 2.026 31.720 29.700 -0.010 0.000 1.404 205 E HN -0.377 7.977 8.360 -0.010 0.000 0.395 206 P HA -0.026 4.464 4.420 -0.003 -0.071 0.271 206 P C -1.053 176.243 177.300 -0.007 0.000 1.218 206 P CA -0.294 62.803 63.100 -0.005 0.000 0.780 206 P CB 0.777 32.474 31.700 -0.005 0.000 0.901 207 K N -0.184 120.213 120.400 -0.006 0.000 2.331 207 K HA 0.307 4.620 4.320 -0.012 0.000 0.238 207 K C -1.508 175.084 176.600 -0.015 0.000 1.058 207 K CA -1.970 54.311 56.287 -0.010 0.000 0.871 207 K CB 2.760 35.257 32.500 -0.005 0.000 1.292 207 K HN 0.076 8.325 8.250 -0.003 0.000 0.470 208 D N 0.984 121.370 120.400 -0.023 0.000 2.524 208 D HA 0.078 4.701 4.640 -0.028 0.000 0.222 208 D C -1.599 174.678 176.300 -0.039 0.000 1.142 208 D CA -0.693 53.287 54.000 -0.033 0.000 0.973 208 D CB -0.851 39.925 40.800 -0.039 0.000 1.025 208 D HN 0.083 8.439 8.370 -0.025 0.000 0.519 209 D N 0.002 120.387 120.400 -0.025 0.000 2.626 209 D HA 0.224 4.842 4.640 -0.036 0.000 0.278 209 D C -0.475 175.824 176.300 -0.003 0.000 1.211 209 D CA -1.568 52.422 54.000 -0.016 0.000 0.903 209 D CB 2.249 43.056 40.800 0.011 0.000 1.408 209 D HN -0.616 7.741 8.370 -0.021 0.000 0.454 210 I N -2.024 118.553 120.570 0.012 0.000 2.252 210 I HA -0.410 3.768 4.170 0.013 0.000 0.245 210 I C 1.584 177.733 176.117 0.053 0.000 1.102 210 I CA 3.767 65.087 61.300 0.033 0.000 1.385 210 I CB 0.500 38.540 38.000 0.067 0.000 1.064 210 I HN -0.065 8.154 8.210 0.016 0.000 0.414 211 I N 0.794 121.404 120.570 0.067 0.000 2.226 211 I HA -0.604 3.612 4.170 0.077 0.000 0.245 211 I C 1.994 178.136 176.117 0.041 0.000 1.100 211 I CA 4.611 65.951 61.300 0.067 0.000 1.374 211 I CB -0.358 37.691 38.000 0.081 0.000 1.057 211 I HN -0.499 7.755 8.210 0.073 0.000 0.413 212 S N 0.483 116.200 115.700 0.028 0.000 2.368 212 S HA -0.377 4.101 4.470 0.014 0.000 0.225 212 S C 1.741 176.346 174.600 0.009 0.000 1.030 212 S CA 4.521 62.729 58.200 0.014 0.000 0.999 212 S CB -0.483 62.720 63.200 0.005 0.000 0.844 212 S HN 0.034 8.673 8.310 0.029 -0.312 0.459 213 K N 2.746 123.151 120.400 0.008 0.000 2.057 213 K HA -0.240 4.078 4.320 -0.003 0.000 0.207 213 K C 2.517 179.121 176.600 0.008 0.000 1.049 213 K CA 3.187 59.475 56.287 0.002 0.000 0.931 213 K CB -0.043 32.454 32.500 -0.005 0.000 0.714 213 K HN -0.748 7.507 8.250 0.009 0.000 0.440 214 L N -0.675 120.561 121.223 0.022 0.000 2.012 214 L HA -0.440 3.911 4.340 0.018 0.000 0.210 214 L C 1.883 178.765 176.870 0.020 0.000 1.073 214 L CA 3.598 58.454 54.840 0.026 0.000 0.748 214 L CB -0.308 41.780 42.059 0.048 0.000 0.891 214 L HN -0.253 7.995 8.230 0.030 0.000 0.431 215 C N -1.812 117.500 119.300 0.020 0.000 2.436 215 C HA -0.429 4.042 4.460 0.017 0.000 0.277 215 C C 2.252 177.247 174.990 0.008 0.000 1.241 215 C CA 4.620 63.647 59.018 0.015 0.000 1.721 215 C CB -1.581 26.167 27.740 0.013 0.000 2.043 215 C HN 0.033 8.276 8.230 0.023 0.000 0.472 216 T N -2.006 112.551 114.554 0.005 0.000 2.812 216 T HA -0.275 4.075 4.350 0.001 0.000 0.264 216 T C 1.868 176.568 174.700 -0.001 0.000 1.042 216 T CA 3.112 65.212 62.100 0.000 0.000 1.140 216 T CB -0.213 68.653 68.868 -0.003 0.000 0.870 216 T HN 0.136 8.379 8.240 0.005 0.000 0.445 217 E N -0.816 119.382 120.200 -0.003 0.000 2.318 217 E HA -0.048 4.297 4.350 -0.008 0.000 0.193 217 E C 0.772 177.368 176.600 -0.007 0.000 0.998 217 E CA 1.944 58.339 56.400 -0.008 0.000 0.859 217 E CB 0.557 30.247 29.700 -0.016 0.000 0.812 217 E HN -0.207 8.152 8.360 -0.002 0.000 0.492 218 Q N -3.647 116.153 119.800 -0.001 0.000 2.527 218 Q HA 0.142 4.482 4.340 0.001 0.000 0.252 218 Q C 1.833 177.843 176.000 0.015 0.000 0.827 218 Q CA 1.368 57.172 55.803 0.003 0.000 0.979 218 Q CB 1.896 30.631 28.738 -0.006 0.000 1.248 218 Q HN -0.323 7.948 8.270 0.002 0.000 0.578 219 V N 1.758 121.682 119.914 0.016 0.000 2.323 219 V HA -0.209 4.161 4.120 0.023 -0.237 0.244 219 V C 3.139 179.242 176.094 0.015 0.000 1.041 219 V CA 3.108 65.420 62.300 0.019 0.000 1.025 219 V CB -0.379 31.455 31.823 0.019 0.000 0.656 219 V HN 0.029 8.227 8.190 0.015 0.000 0.451 220 K N 0.672 121.079 120.400 0.011 0.000 2.057 220 K HA -0.173 4.151 4.320 0.008 0.000 0.207 220 K C -0.831 175.774 176.600 0.009 0.000 1.049 220 K CA 3.898 60.190 56.287 0.008 0.000 0.931 220 K CB -1.803 30.700 32.500 0.005 0.000 0.714 220 K HN -0.274 7.981 8.250 0.010 0.000 0.440 221 P HA -0.008 4.418 4.420 0.010 0.000 0.237 221 P C -0.739 176.572 177.300 0.018 0.000 1.178 221 P CA 0.344 63.452 63.100 0.013 0.000 0.766 221 P CB 0.249 31.957 31.700 0.013 0.000 0.876 222 G N -3.654 105.158 108.800 0.020 0.000 2.141 222 G HA2 -0.358 3.616 3.960 0.023 0.000 0.231 222 G HA3 -0.358 3.615 3.960 0.022 0.000 0.231 222 G C 0.726 175.648 174.900 0.036 0.000 0.984 222 G CA 0.176 45.291 45.100 0.025 0.000 0.660 222 G HN -0.273 7.847 8.290 0.019 0.181 0.525 223 N N -0.062 118.664 118.700 0.043 0.000 2.354 223 N HA 0.001 4.790 4.740 0.082 0.000 0.179 223 N C 0.241 175.799 175.510 0.080 0.000 1.021 223 N CA 1.246 54.339 53.050 0.071 0.000 0.887 223 N CB 0.780 39.306 38.487 0.066 0.000 0.974 223 N HN -0.093 8.308 8.380 0.035 0.000 0.437 224 I N -7.112 113.492 120.570 0.055 0.000 3.191 224 I HA 0.465 4.673 4.170 0.063 0.000 0.313 224 I C -2.464 173.677 176.117 0.040 0.000 1.193 224 I CA -1.996 59.337 61.300 0.055 0.000 0.968 224 I CB 3.793 41.826 38.000 0.055 0.000 1.262 224 I HN -0.732 7.504 8.210 0.044 0.000 0.456 225 D N 1.045 121.468 120.400 0.039 0.000 2.437 225 D HA 0.383 5.039 4.640 0.026 0.000 0.259 225 D C 0.885 177.202 176.300 0.029 0.000 1.118 225 D CA -2.121 51.897 54.000 0.029 0.000 1.017 225 D CB 1.164 41.979 40.800 0.025 0.000 1.120 225 D HN -0.045 8.654 8.370 0.043 -0.303 0.541 226 K N -1.530 118.883 120.400 0.022 0.000 2.063 226 K HA -0.372 3.963 4.320 0.024 0.000 0.208 226 K C 2.212 178.827 176.600 0.025 0.000 1.048 226 K CA 4.450 60.749 56.287 0.021 0.000 0.928 226 K CB -0.431 32.076 32.500 0.012 0.000 0.713 226 K HN 0.353 8.614 8.250 0.019 0.000 0.442 227 S N -0.915 114.797 115.700 0.020 0.000 2.382 227 S HA -0.264 4.214 4.470 0.013 0.000 0.228 227 S C 1.743 176.362 174.600 0.033 0.000 1.027 227 S CA 3.040 61.251 58.200 0.019 0.000 0.991 227 S CB -0.677 62.530 63.200 0.011 0.000 0.823 227 S HN -0.197 8.173 8.310 0.018 -0.049 0.469 228 D N 1.264 121.689 120.400 0.042 0.000 2.117 228 D HA -0.314 4.361 4.640 0.060 0.000 0.197 228 D C 1.961 178.304 176.300 0.072 0.000 0.987 228 D CA 3.232 57.267 54.000 0.058 0.000 0.829 228 D CB -0.473 40.365 40.800 0.063 0.000 0.961 228 D HN -0.058 8.664 8.370 0.038 -0.330 0.460 229 A N -0.086 122.773 122.820 0.064 0.000 1.902 229 A HA -0.249 4.121 4.320 0.083 0.000 0.217 229 A C 2.165 179.804 177.584 0.091 0.000 1.181 229 A CA 3.176 55.258 52.037 0.075 0.000 0.623 229 A CB -0.643 18.392 19.000 0.058 0.000 0.818 229 A HN -0.496 7.686 8.150 0.053 0.000 0.443 230 V N -1.037 118.923 119.914 0.076 0.000 2.287 230 V HA -0.519 3.664 4.120 0.105 0.000 0.248 230 V C 2.282 178.450 176.094 0.123 0.000 1.053 230 V CA 4.352 66.704 62.300 0.086 0.000 1.027 230 V CB -0.934 30.912 31.823 0.039 0.000 0.646 230 V HN -0.366 7.859 8.190 0.059 0.000 0.447 231 Q N -1.148 118.711 119.800 0.098 0.000 2.167 231 Q HA -0.247 4.190 4.340 0.161 0.000 0.202 231 Q C 3.112 179.206 176.000 0.156 0.000 0.970 231 Q CA 2.640 58.521 55.803 0.130 0.000 0.855 231 Q CB -0.414 28.372 28.738 0.081 0.000 0.911 231 Q HN -0.516 7.799 8.270 0.075 0.000 0.438 232 I N 0.229 120.883 120.570 0.140 0.000 2.202 232 I HA -0.497 3.748 4.170 0.125 0.000 0.242 232 I C 1.710 177.927 176.117 0.167 0.000 1.091 232 I CA 4.095 65.489 61.300 0.156 0.000 1.368 232 I CB -0.350 37.763 38.000 0.189 0.000 1.058 232 I HN 0.120 8.407 8.210 0.129 0.000 0.410 233 A N 0.082 123.010 122.820 0.180 0.000 1.908 233 A HA -0.337 4.093 4.320 0.183 0.000 0.218 233 A C 1.733 179.442 177.584 0.208 0.000 1.181 233 A CA 3.143 55.296 52.037 0.193 0.000 0.627 233 A CB -0.970 18.147 19.000 0.195 0.000 0.818 233 A HN -0.250 8.001 8.150 0.169 0.000 0.445 234 F N -0.517 119.473 119.950 0.067 0.000 2.134 234 F HA -0.386 4.177 4.527 0.061 0.000 0.299 234 F C 1.165 176.968 175.800 0.004 0.000 1.097 234 F CA 3.408 61.435 58.000 0.045 0.000 1.264 234 F CB 0.666 39.691 39.000 0.042 0.000 1.001 234 F HN -0.330 8.177 8.300 0.345 0.000 0.479 235 L N 0.169 121.404 121.223 0.021 0.000 2.012 235 L HA -0.440 3.781 4.340 -0.199 0.000 0.210 235 L C 1.019 177.796 176.870 -0.156 0.000 1.073 235 L CA 3.553 58.309 54.840 -0.139 0.000 0.748 235 L CB -0.441 41.514 42.059 -0.173 0.000 0.891 235 L HN -0.130 8.185 8.230 0.142 0.000 0.431 236 L N -3.375 117.820 121.223 -0.047 0.000 2.083 236 L HA -0.401 3.915 4.340 -0.040 0.000 0.209 236 L C 2.463 179.293 176.870 -0.067 0.000 1.083 236 L CA 2.700 57.535 54.840 -0.009 0.000 0.752 236 L CB -0.551 41.587 42.059 0.133 0.000 0.899 236 L HN -0.618 7.621 8.230 0.015 0.000 0.433 237 L N -1.719 119.430 121.223 -0.124 0.000 2.005 237 L HA -0.270 3.940 4.340 -0.218 0.000 0.207 237 L C 1.433 178.123 176.870 -0.300 0.000 1.072 237 L CA 3.013 57.712 54.840 -0.235 0.000 0.744 237 L CB 0.380 42.290 42.059 -0.249 0.000 0.895 237 L HN -0.619 7.556 8.230 -0.091 0.000 0.433 238 V N -6.271 113.392 119.914 -0.419 0.000 3.235 238 V HA -0.111 3.806 4.120 -0.337 0.000 0.259 238 V C 1.555 177.500 176.094 -0.250 0.000 1.133 238 V CA 1.481 63.540 62.300 -0.400 0.000 1.128 238 V CB -0.651 30.799 31.823 -0.622 0.000 0.757 238 V HN -0.238 7.658 8.190 -0.491 0.000 0.469 239 A N 0.632 123.325 122.820 -0.210 0.000 1.902 239 A HA -0.138 4.098 4.320 -0.141 0.000 0.217 239 A C 0.602 178.127 177.584 -0.099 0.000 1.181 239 A CA 2.783 54.734 52.037 -0.143 0.000 0.623 239 A CB -0.092 18.830 19.000 -0.131 0.000 0.818 239 A HN -0.212 7.803 8.150 -0.225 0.000 0.443 240 G N -5.832 102.914 108.800 -0.089 0.000 2.944 240 G HA2 0.162 4.100 3.960 -0.037 0.000 0.223 240 G HA3 0.162 4.109 3.960 -0.021 0.000 0.223 240 G C 0.496 175.366 174.900 -0.049 0.000 1.071 240 G CA -0.410 44.663 45.100 -0.045 0.000 0.806 240 G HN -0.065 8.139 8.290 -0.107 0.021 0.538 241 N N 2.043 120.690 118.700 -0.087 0.000 2.080 241 N HA -0.291 4.407 4.740 -0.070 0.000 0.189 241 N C 1.268 176.737 175.510 -0.068 0.000 1.036 241 N CA 3.661 56.658 53.050 -0.088 0.000 0.846 241 N CB -0.150 38.251 38.487 -0.143 0.000 1.015 241 N HN -0.548 7.763 8.380 -0.115 0.000 0.423 242 A N -2.270 120.507 122.820 -0.070 0.000 1.972 242 A HA -0.338 3.951 4.320 -0.051 0.000 0.219 242 A C 1.910 179.473 177.584 -0.035 0.000 1.169 242 A CA 2.963 54.969 52.037 -0.052 0.000 0.635 242 A CB -0.619 18.350 19.000 -0.052 0.000 0.810 242 A HN 0.511 8.611 8.150 -0.084 0.000 0.446 243 T N 0.296 114.829 114.554 -0.035 0.000 2.777 243 T HA -0.453 3.884 4.350 -0.022 0.000 0.266 243 T C 1.594 176.292 174.700 -0.003 0.000 1.040 243 T CA 4.554 66.639 62.100 -0.024 0.000 1.141 243 T CB -0.285 68.561 68.868 -0.036 0.000 0.868 243 T HN -0.440 7.758 8.240 -0.043 0.016 0.444 244 M N 1.044 120.646 119.600 0.004 0.000 2.080 244 M HA -0.466 4.048 4.480 0.057 0.000 0.260 244 M C 1.751 178.056 176.300 0.009 0.000 1.068 244 M CA 2.538 57.853 55.300 0.024 0.000 1.109 244 M CB -1.156 31.452 32.600 0.013 0.000 1.342 244 M HN -0.211 8.075 8.290 -0.006 0.000 0.405 245 V N -0.269 119.632 119.914 -0.022 0.000 2.287 245 V HA -0.461 3.784 4.120 -0.053 -0.157 0.248 245 V C 2.424 178.521 176.094 0.005 0.000 1.053 245 V CA 3.773 66.054 62.300 -0.032 0.000 1.027 245 V CB -1.298 30.497 31.823 -0.046 0.000 0.646 245 V HN -0.105 8.067 8.190 -0.030 0.000 0.447 246 N N -0.463 118.241 118.700 0.008 0.000 2.104 246 N HA -0.278 4.471 4.740 0.015 0.000 0.190 246 N C 2.492 178.032 175.510 0.050 0.000 1.024 246 N CA 3.042 56.103 53.050 0.019 0.000 0.853 246 N CB -0.331 38.160 38.487 0.007 0.000 1.008 246 N HN -0.531 7.847 8.380 -0.003 0.000 0.424 247 M N -0.356 119.287 119.600 0.073 0.000 2.117 247 M HA -0.281 4.268 4.480 0.116 0.000 0.262 247 M C 2.166 178.610 176.300 0.240 0.000 1.065 247 M CA 2.172 57.553 55.300 0.134 0.000 1.114 247 M CB -0.856 31.826 32.600 0.136 0.000 1.361 247 M HN -0.150 8.174 8.290 0.055 0.000 0.408 248 I N -0.551 120.154 120.570 0.225 0.000 2.142 248 I HA -0.569 3.923 4.170 0.536 0.000 0.240 248 I C 1.424 177.748 176.117 0.345 0.000 1.078 248 I CA 4.223 65.714 61.300 0.319 0.000 1.343 248 I CB -0.607 37.446 38.000 0.087 0.000 1.046 248 I HN -0.222 8.075 8.210 0.146 0.000 0.405 249 A N -0.514 122.414 122.820 0.181 0.000 1.877 249 A HA -0.298 4.120 4.320 0.163 0.000 0.216 249 A C 2.059 179.731 177.584 0.147 0.000 1.186 249 A CA 3.247 55.368 52.037 0.140 0.000 0.620 249 A CB -0.792 18.239 19.000 0.052 0.000 0.822 249 A HN -0.498 7.728 8.150 0.127 0.000 0.443 250 L N -2.933 118.354 121.223 0.106 0.000 2.083 250 L HA -0.432 3.918 4.340 0.017 0.000 0.209 250 L C 2.430 179.395 176.870 0.160 0.000 1.083 250 L CA 2.570 57.435 54.840 0.042 0.000 0.752 250 L CB -0.468 41.499 42.059 -0.153 0.000 0.899 250 L HN 0.201 8.487 8.230 0.095 0.000 0.433 251 G N -1.222 107.741 108.800 0.272 0.000 2.418 251 G HA2 -0.332 3.732 3.960 0.174 0.000 0.217 251 G HA3 -0.332 3.740 3.960 0.186 0.000 0.217 251 G C 1.291 176.398 174.900 0.346 0.000 1.158 251 G CA 2.223 47.477 45.100 0.257 0.000 0.771 251 G HN -0.150 8.332 8.290 0.320 0.000 0.545 252 V N 3.758 123.972 119.914 0.501 0.000 2.295 252 V HA -0.311 4.145 4.120 0.560 0.000 0.246 252 V C 2.366 178.608 176.094 0.247 0.000 1.049 252 V CA 3.248 65.808 62.300 0.433 0.000 1.024 252 V CB -0.799 31.233 31.823 0.349 0.000 0.648 252 V HN -0.533 7.989 8.190 0.553 0.000 0.447 253 A N -1.231 121.695 122.820 0.177 0.000 1.902 253 A HA -0.335 4.049 4.320 0.106 0.000 0.217 253 A C 2.093 179.752 177.584 0.124 0.000 1.181 253 A CA 3.428 55.539 52.037 0.124 0.000 0.623 253 A CB -0.704 18.354 19.000 0.096 0.000 0.818 253 A HN -0.090 8.170 8.150 0.183 0.000 0.443 254 T N 2.434 117.057 114.554 0.115 0.000 2.746 254 T HA -0.350 4.260 4.350 0.083 -0.211 0.267 254 T C 2.091 176.796 174.700 0.009 0.000 1.039 254 T CA 4.593 66.699 62.100 0.010 0.000 1.142 254 T CB -0.057 68.656 68.868 -0.258 0.000 0.866 254 T HN -0.305 8.016 8.240 0.136 0.000 0.444 255 L N 0.082 121.309 121.223 0.008 0.000 2.046 255 L HA -0.318 3.979 4.340 -0.071 0.000 0.208 255 L C 2.684 179.557 176.870 0.003 0.000 1.077 255 L CA 3.208 58.018 54.840 -0.050 0.000 0.747 255 L CB -0.447 41.509 42.059 -0.172 0.000 0.896 255 L HN -0.372 7.890 8.230 0.054 0.000 0.432 256 A N -2.107 120.742 122.820 0.049 0.000 1.930 256 A HA -0.278 4.059 4.320 0.028 0.000 0.217 256 A C 1.562 179.159 177.584 0.022 0.000 1.175 256 A CA 2.296 54.358 52.037 0.043 0.000 0.627 256 A CB -0.508 18.531 19.000 0.066 0.000 0.815 256 A HN -0.513 7.683 8.150 0.078 0.000 0.443 257 Q N -2.436 117.382 119.800 0.029 0.000 2.124 257 Q HA -0.218 4.082 4.340 -0.068 0.000 0.202 257 Q C 0.999 176.883 176.000 -0.193 0.000 0.977 257 Q CA 2.034 57.795 55.803 -0.070 0.000 0.850 257 Q CB 0.694 29.388 28.738 -0.074 0.000 0.901 257 Q HN -0.448 7.781 8.270 0.060 0.078 0.429 258 H N -1.368 117.674 119.070 -0.046 0.000 2.539 258 H HA 0.430 4.980 4.556 -0.011 0.000 0.247 258 H C -1.637 173.673 175.328 -0.031 0.000 1.363 258 H CA -3.190 52.842 56.048 -0.027 0.000 1.371 258 H CB -0.300 29.456 29.762 -0.010 0.000 1.438 258 H HN -0.543 7.845 8.280 0.180 0.000 0.523 259 P HA -0.215 4.203 4.420 -0.005 0.000 0.216 259 P C 0.821 178.128 177.300 0.012 0.000 1.150 259 P CA 2.692 65.800 63.100 0.013 0.000 0.843 259 P CB 0.349 32.050 31.700 0.003 0.000 0.787 260 D N -4.290 116.133 120.400 0.039 0.000 2.178 260 D HA -0.277 4.369 4.640 0.012 0.000 0.202 260 D C 1.979 178.291 176.300 0.021 0.000 0.974 260 D CA 3.065 57.081 54.000 0.027 0.000 0.841 260 D CB -0.492 40.331 40.800 0.038 0.000 0.953 260 D HN 0.378 8.739 8.370 0.057 0.043 0.478 261 Q N -0.600 119.228 119.800 0.047 0.000 2.119 261 Q HA -0.302 4.060 4.340 0.037 0.000 0.201 261 Q C 2.423 178.388 176.000 -0.057 0.000 0.972 261 Q CA 2.735 58.559 55.803 0.035 0.000 0.847 261 Q CB 0.139 28.938 28.738 0.101 0.000 0.903 261 Q HN -0.667 7.643 8.270 0.084 0.010 0.433 262 L N 0.403 121.561 121.223 -0.108 0.000 2.046 262 L HA -0.382 3.740 4.340 -0.363 0.000 0.208 262 L C 1.208 177.965 176.870 -0.188 0.000 1.077 262 L CA 2.900 57.592 54.840 -0.248 0.000 0.747 262 L CB -0.687 41.215 42.059 -0.260 0.000 0.896 262 L HN -0.590 7.604 8.230 -0.061 0.000 0.432 263 A N -2.210 120.552 122.820 -0.097 0.000 1.908 263 A HA -0.444 3.836 4.320 -0.067 0.000 0.218 263 A C 2.232 179.787 177.584 -0.048 0.000 1.181 263 A CA 3.223 55.224 52.037 -0.061 0.000 0.627 263 A CB -0.869 18.116 19.000 -0.026 0.000 0.818 263 A HN 0.010 8.047 8.150 -0.072 0.070 0.445 264 Q N -1.642 118.136 119.800 -0.037 0.000 2.084 264 Q HA -0.355 3.982 4.340 -0.005 0.000 0.202 264 Q C 2.582 178.567 176.000 -0.026 0.000 0.978 264 Q CA 3.022 58.816 55.803 -0.015 0.000 0.844 264 Q CB 0.033 28.776 28.738 0.008 0.000 0.898 264 Q HN -0.543 7.697 8.270 -0.034 0.009 0.426 265 L N -0.367 120.814 121.223 -0.071 0.000 2.056 265 L HA -0.235 4.089 4.340 -0.027 0.000 0.207 265 L C 1.467 178.304 176.870 -0.055 0.000 1.078 265 L CA 2.474 57.266 54.840 -0.081 0.000 0.749 265 L CB -0.221 41.714 42.059 -0.208 0.000 0.901 265 L HN -0.293 7.879 8.230 -0.098 0.000 0.433 266 K N -1.972 118.376 120.400 -0.086 0.000 2.032 266 K HA -0.440 3.892 4.320 0.019 0.000 0.209 266 K C 2.500 179.104 176.600 0.006 0.000 1.048 266 K CA 2.923 59.199 56.287 -0.019 0.000 0.927 266 K CB -0.256 32.227 32.500 -0.028 0.000 0.712 266 K HN -0.230 7.938 8.250 -0.137 0.000 0.441 267 A N -3.503 119.315 122.820 -0.003 0.000 2.070 267 A HA -0.142 4.185 4.320 0.012 0.000 0.220 267 A C -0.017 177.577 177.584 0.017 0.000 1.159 267 A CA 1.633 53.675 52.037 0.009 0.000 0.656 267 A CB 0.335 19.338 19.000 0.006 0.000 0.800 267 A HN -0.490 7.629 8.150 -0.016 0.022 0.453 268 N N -4.897 113.815 118.700 0.020 0.000 2.751 268 N HA 0.289 5.048 4.740 0.032 0.000 0.238 268 N C -2.372 173.165 175.510 0.044 0.000 1.351 268 N CA -2.382 50.687 53.050 0.032 0.000 0.751 268 N CB 1.410 39.917 38.487 0.033 0.000 1.342 268 N HN -0.675 7.506 8.380 0.014 0.208 0.540 269 P HA 0.101 4.649 4.420 0.081 -0.080 0.228 269 P C 0.379 177.729 177.300 0.084 0.000 1.151 269 P CA 1.352 64.496 63.100 0.073 0.000 0.770 269 P CB 0.179 31.920 31.700 0.068 0.000 0.786 270 S N -1.339 114.402 115.700 0.069 0.000 2.507 270 S HA -0.146 4.369 4.470 0.075 0.000 0.235 270 S C 0.678 175.331 174.600 0.089 0.000 0.988 270 S CA 2.615 60.858 58.200 0.072 0.000 0.944 270 S CB -0.702 62.531 63.200 0.055 0.000 0.762 270 S HN 0.064 8.365 8.310 0.058 0.044 0.526 271 L N -1.304 119.977 121.223 0.097 0.000 2.610 271 L HA -0.066 4.345 4.340 0.119 0.000 0.232 271 L C 0.606 177.585 176.870 0.182 0.000 1.149 271 L CA 0.622 55.537 54.840 0.124 0.000 0.872 271 L CB -0.525 41.598 42.059 0.108 0.000 0.992 271 L HN -0.446 7.785 8.230 0.085 0.050 0.447 272 A N 0.675 123.609 122.820 0.191 0.000 1.908 272 A HA -0.204 4.323 4.320 0.345 0.000 0.218 272 A C -1.281 176.474 177.584 0.285 0.000 1.181 272 A CA 5.042 57.249 52.037 0.283 0.000 0.627 272 A CB -2.997 16.169 19.000 0.277 0.000 0.818 272 A HN -0.061 8.014 8.150 0.157 0.169 0.445 273 P HA -0.254 4.252 4.420 0.143 0.000 0.215 273 P C 1.307 178.676 177.300 0.115 0.000 1.157 273 P CA 2.726 65.907 63.100 0.134 0.000 0.868 273 P CB -0.334 31.416 31.700 0.083 0.000 0.788 274 Q N -2.257 117.625 119.800 0.137 0.000 2.172 274 Q HA -0.248 4.137 4.340 0.074 0.000 0.200 274 Q C 2.223 178.328 176.000 0.175 0.000 0.964 274 Q CA 2.654 58.543 55.803 0.142 0.000 0.855 274 Q CB -0.951 27.895 28.738 0.180 0.000 0.918 274 Q HN -0.534 7.824 8.270 0.146 0.000 0.444 275 F N 3.053 123.062 119.950 0.099 0.000 2.095 275 F HA -0.405 4.186 4.527 0.106 0.000 0.298 275 F C 1.432 177.298 175.800 0.110 0.000 1.104 275 F CA 3.719 61.781 58.000 0.103 0.000 1.232 275 F CB 0.181 39.228 39.000 0.078 0.000 0.987 275 F HN -0.272 8.242 8.300 0.357 0.000 0.475 276 V N -0.991 118.943 119.914 0.034 0.000 2.407 276 V HA -0.643 3.386 4.120 -0.153 0.000 0.248 276 V C 1.888 177.956 176.094 -0.043 0.000 1.055 276 V CA 4.640 66.931 62.300 -0.015 0.000 1.049 276 V CB -0.374 31.565 31.823 0.194 0.000 0.662 276 V HN 0.084 8.419 8.190 0.241 0.000 0.455 277 E N -0.827 119.345 120.200 -0.046 0.000 2.058 277 E HA -0.391 3.880 4.350 -0.131 0.000 0.194 277 E C 2.553 179.158 176.600 0.009 0.000 0.997 277 E CA 3.142 59.458 56.400 -0.140 0.000 0.801 277 E CB -0.704 28.730 29.700 -0.443 0.000 0.746 277 E HN -0.361 7.988 8.360 -0.018 0.000 0.450 278 E N -0.350 119.890 120.200 0.068 0.000 2.077 278 E HA -0.257 4.205 4.350 0.186 0.000 0.193 278 E C 2.276 178.787 176.600 -0.149 0.000 0.989 278 E CA 2.436 58.785 56.400 -0.086 0.000 0.800 278 E CB -0.414 28.936 29.700 -0.583 0.000 0.746 278 E HN -0.598 7.778 8.360 0.028 0.000 0.452 279 L N -0.064 121.073 121.223 -0.144 0.000 2.012 279 L HA -0.365 4.154 4.340 0.299 0.000 0.210 279 L C 1.342 178.273 176.870 0.100 0.000 1.073 279 L CA 3.826 58.683 54.840 0.029 0.000 0.748 279 L CB -0.169 41.710 42.059 -0.300 0.000 0.891 279 L HN -0.044 8.004 8.230 -0.304 0.000 0.431 280 C N -3.589 115.743 119.300 0.054 0.000 2.448 280 C HA -0.170 4.308 4.460 0.031 0.000 0.280 280 C C 2.195 177.200 174.990 0.025 0.000 1.398 280 C CA 2.323 61.370 59.018 0.049 0.000 1.774 280 C CB -2.354 25.461 27.740 0.125 0.000 1.888 280 C HN -0.248 7.998 8.230 0.026 0.000 0.519 281 R N 0.759 121.286 120.500 0.044 0.000 2.055 281 R HA -0.257 4.057 4.340 -0.043 0.000 0.226 281 R C 1.818 178.105 176.300 -0.021 0.000 1.135 281 R CA 3.308 59.395 56.100 -0.022 0.000 0.959 281 R CB 0.051 30.315 30.300 -0.061 0.000 0.854 281 R HN -0.717 7.568 8.270 0.067 0.024 0.431 282 Y N -1.122 119.105 120.300 -0.121 0.000 2.200 282 Y HA -0.246 4.208 4.550 -0.159 0.000 0.290 282 Y C 0.229 176.023 175.900 -0.177 0.000 1.137 282 Y CA 2.685 60.692 58.100 -0.154 0.000 1.163 282 Y CB 1.275 39.678 38.460 -0.095 0.000 0.988 282 Y HN -0.208 8.154 8.280 0.136 0.000 0.518 283 H N -2.771 116.423 119.070 0.207 0.000 2.680 283 H HA 0.349 4.926 4.556 0.036 0.000 0.260 283 H C -0.687 174.652 175.328 0.020 0.000 1.328 283 H CA -1.635 54.475 56.048 0.104 0.000 1.269 283 H CB -0.907 28.959 29.762 0.173 0.000 1.446 283 H HN -0.325 8.109 8.280 0.257 0.000 0.527 284 T N 6.137 120.741 114.554 0.083 0.000 3.414 284 T HA -0.023 4.308 4.350 -0.031 0.000 0.304 284 T C -0.662 174.046 174.700 0.014 0.000 1.241 284 T CA 0.494 62.598 62.100 0.006 0.000 1.076 284 T CB -0.547 68.309 68.868 -0.019 0.000 1.134 284 T HN 0.075 8.352 8.240 0.062 0.000 0.759 285 A N 4.773 127.593 122.820 -0.000 0.000 2.168 285 A HA 0.005 4.338 4.320 0.022 0.000 0.215 285 A C -0.773 176.795 177.584 -0.027 0.000 1.152 285 A CA 0.955 52.991 52.037 -0.002 0.000 0.716 285 A CB 0.405 19.404 19.000 -0.002 0.000 0.794 285 A HN -0.420 7.721 8.150 -0.015 0.000 0.465 286 S N -3.339 112.326 115.700 -0.057 0.000 2.653 286 S HA 0.101 4.713 4.470 -0.027 -0.158 0.272 286 S C -1.120 173.464 174.600 -0.027 0.000 1.221 286 S CA -1.131 57.042 58.200 -0.045 0.000 1.149 286 S CB -0.243 62.916 63.200 -0.068 0.000 1.029 286 S HN -0.530 7.691 8.310 -0.084 0.038 0.481 287 A N 5.362 128.187 122.820 0.008 0.000 2.431 287 A HA 0.488 5.008 4.320 0.007 -0.196 0.239 287 A C -1.029 176.590 177.584 0.059 0.000 1.230 287 A CA -0.092 51.964 52.037 0.031 0.000 0.928 287 A CB 1.949 20.992 19.000 0.073 0.000 1.006 287 A HN -0.007 8.388 8.150 0.013 -0.237 0.520 288 L N -3.925 117.329 121.223 0.052 0.000 3.122 288 L HA 0.147 4.557 4.340 0.117 0.000 0.274 288 L C -0.885 176.017 176.870 0.054 0.000 1.222 288 L CA -0.523 54.364 54.840 0.079 0.000 1.028 288 L CB -0.077 42.025 42.059 0.072 0.000 1.386 288 L HN 0.006 8.255 8.230 0.031 0.000 0.578 289 A N -1.197 121.642 122.820 0.032 0.000 2.220 289 A HA 0.002 4.346 4.320 0.040 0.000 0.211 289 A C 0.268 177.863 177.584 0.018 0.000 1.176 289 A CA 0.687 52.741 52.037 0.028 0.000 0.834 289 A CB 0.573 19.583 19.000 0.016 0.000 0.868 289 A HN -0.072 8.093 8.150 0.025 0.000 0.488 290 I N 0.707 121.281 120.570 0.007 0.000 2.257 290 I HA -0.030 4.132 4.170 -0.013 0.000 0.290 290 I C -1.777 174.322 176.117 -0.031 0.000 1.137 290 I CA -0.614 60.681 61.300 -0.010 0.000 1.255 290 I CB -1.621 36.375 38.000 -0.006 0.000 1.485 290 I HN -0.131 8.084 8.210 0.009 0.000 0.534 291 K N 5.272 125.654 120.400 -0.031 0.000 2.375 291 K HA 0.976 5.399 4.320 -0.137 -0.185 0.249 291 K C -1.033 175.529 176.600 -0.062 0.000 0.942 291 K CA -1.553 54.670 56.287 -0.108 0.000 0.806 291 K CB 3.815 36.203 32.500 -0.187 0.000 1.227 291 K HN -0.455 7.791 8.250 -0.006 0.000 0.430 292 R N -0.359 120.054 120.500 -0.144 0.000 2.781 292 R HA 0.853 5.433 4.340 0.117 -0.169 0.269 292 R C -1.467 174.804 176.300 -0.047 0.000 1.025 292 R CA -2.148 53.944 56.100 -0.013 0.000 0.914 292 R CB 4.935 35.233 30.300 -0.004 0.000 1.236 292 R HN 0.568 8.706 8.270 -0.220 0.000 0.465 293 T N 0.889 115.499 114.554 0.093 0.000 2.885 293 T HA 0.524 5.046 4.350 0.041 -0.148 0.285 293 T C -1.415 173.327 174.700 0.069 0.000 1.019 293 T CA -1.185 60.964 62.100 0.081 0.000 1.010 293 T CB 2.466 71.424 68.868 0.150 0.000 1.022 293 T HN 0.330 8.668 8.240 0.165 0.000 0.466 294 A N 4.611 127.469 122.820 0.063 0.000 2.409 294 A HA 0.127 4.471 4.320 0.041 0.000 0.267 294 A C -0.131 177.484 177.584 0.051 0.000 1.127 294 A CA -0.536 51.532 52.037 0.051 0.000 0.795 294 A CB 0.413 19.441 19.000 0.048 0.000 1.061 294 A HN 0.576 8.768 8.150 0.071 0.000 0.502 295 K N 3.872 124.297 120.400 0.042 0.000 2.228 295 K HA -0.102 4.245 4.320 0.044 0.000 0.202 295 K C 0.429 177.049 176.600 0.034 0.000 1.051 295 K CA 2.214 58.525 56.287 0.039 0.000 0.960 295 K CB 0.640 33.160 32.500 0.033 0.000 0.743 295 K HN 0.216 8.488 8.250 0.036 0.000 0.458 296 E N -3.455 116.765 120.200 0.032 0.000 2.445 296 E HA 0.169 4.536 4.350 0.029 0.000 0.279 296 E C -1.829 174.787 176.600 0.026 0.000 1.018 296 E CA -1.521 54.896 56.400 0.028 0.000 0.816 296 E CB 2.237 31.951 29.700 0.024 0.000 1.356 296 E HN -0.792 7.549 8.360 0.032 0.038 0.462 297 D N 0.051 120.464 120.400 0.020 0.000 2.472 297 D HA 0.152 4.979 4.640 0.006 -0.184 0.237 297 D C -0.689 175.616 176.300 0.008 0.000 1.141 297 D CA 0.822 54.826 54.000 0.008 0.000 0.875 297 D CB 0.320 41.121 40.800 0.001 0.000 1.192 297 D HN 0.306 8.688 8.370 0.020 0.000 0.450 298 V N 3.031 122.938 119.914 -0.011 0.000 2.733 298 V HA 0.219 4.356 4.120 0.029 0.000 0.306 298 V C -1.186 174.862 176.094 -0.076 0.000 1.084 298 V CA -1.078 61.229 62.300 0.012 0.000 0.905 298 V CB 3.484 35.366 31.823 0.098 0.000 1.010 298 V HN 0.579 8.748 8.190 -0.035 0.000 0.424 299 M N 6.127 125.666 119.600 -0.102 0.000 2.188 299 M HA 0.462 4.976 4.480 -0.214 -0.162 0.357 299 M C -0.139 175.981 176.300 -0.300 0.000 1.204 299 M CA 0.055 55.240 55.300 -0.193 0.000 1.095 299 M CB 1.040 33.546 32.600 -0.156 0.000 1.604 299 M HN 0.206 8.458 8.290 -0.063 0.000 0.464 300 I N 3.447 123.819 120.570 -0.330 0.000 2.476 300 I HA 0.270 4.138 4.170 -0.504 0.000 0.281 300 I C -0.053 175.892 176.117 -0.287 0.000 1.040 300 I CA -1.093 59.983 61.300 -0.373 0.000 1.094 300 I CB 1.191 39.018 38.000 -0.289 0.000 1.219 300 I HN 0.440 8.456 8.210 -0.324 0.000 0.450 301 G N 9.003 117.645 108.800 -0.262 0.000 2.583 301 G HA2 -0.469 3.395 3.960 -0.160 0.000 0.292 301 G HA3 -0.469 3.401 3.960 -0.150 0.000 0.292 301 G C -0.576 174.231 174.900 -0.154 0.000 1.203 301 G CA 1.456 46.451 45.100 -0.175 0.000 0.987 301 G HN 0.480 8.581 8.290 -0.314 0.000 0.554 302 D N 2.776 123.106 120.400 -0.117 0.000 2.336 302 D HA 0.036 4.620 4.640 -0.095 0.000 0.228 302 D C -0.795 175.436 176.300 -0.114 0.000 1.120 302 D CA -0.041 53.902 54.000 -0.094 0.000 0.839 302 D CB -0.492 40.277 40.800 -0.052 0.000 0.932 302 D HN 0.283 8.592 8.370 -0.101 0.000 0.509 303 K N -0.538 119.744 120.400 -0.197 0.000 2.318 303 K HA 0.365 4.564 4.320 -0.201 0.000 0.249 303 K C -1.986 174.398 176.600 -0.360 0.000 0.942 303 K CA -1.851 54.255 56.287 -0.301 0.000 0.808 303 K CB 2.803 34.980 32.500 -0.540 0.000 1.189 303 K HN -0.372 7.662 8.250 -0.217 0.085 0.428 304 L N 3.660 124.689 121.223 -0.324 0.000 2.265 304 L HA 0.248 4.435 4.340 -0.256 0.000 0.289 304 L C -0.922 175.710 176.870 -0.396 0.000 1.033 304 L CA -0.526 54.152 54.840 -0.270 0.000 0.814 304 L CB 1.132 43.123 42.059 -0.114 0.000 1.203 304 L HN 0.462 8.541 8.230 -0.251 0.000 0.423 305 V N 8.883 128.535 119.914 -0.437 0.000 2.368 305 V HA 0.103 3.962 4.120 -0.436 0.000 0.266 305 V C -0.776 175.272 176.094 -0.077 0.000 1.045 305 V CA -0.743 61.325 62.300 -0.387 0.000 0.899 305 V CB 0.268 31.825 31.823 -0.444 0.000 1.006 305 V HN 0.597 8.562 8.190 -0.375 0.000 0.470 306 R N 7.250 127.788 120.500 0.063 0.000 2.560 306 R HA 0.146 4.664 4.340 0.033 -0.158 0.270 306 R C -0.134 176.208 176.300 0.071 0.000 1.074 306 R CA -0.998 55.142 56.100 0.067 0.000 1.140 306 R CB 1.674 32.029 30.300 0.092 0.000 1.073 306 R HN 0.104 8.763 8.270 0.159 -0.294 0.527 307 A N 1.088 123.939 122.820 0.052 0.000 2.587 307 A HA -0.428 4.037 4.320 0.049 -0.116 0.235 307 A C 0.077 177.699 177.584 0.063 0.000 1.044 307 A CA 1.371 53.439 52.037 0.051 0.000 0.754 307 A CB -0.046 18.978 19.000 0.040 0.000 0.968 307 A HN -0.047 8.418 8.150 0.042 -0.290 0.509 308 N N -3.677 115.063 118.700 0.066 0.000 2.850 308 N HA -0.503 4.279 4.740 0.070 0.000 0.249 308 N C -1.241 174.316 175.510 0.078 0.000 1.060 308 N CA 1.861 54.952 53.050 0.068 0.000 0.825 308 N CB -1.929 36.591 38.487 0.055 0.000 1.132 308 N HN 0.512 8.929 8.380 0.063 0.000 0.564 309 E N -1.044 119.220 120.200 0.106 0.000 2.242 309 E HA 0.212 4.621 4.350 0.097 0.000 0.275 309 E C -0.839 175.838 176.600 0.127 0.000 1.002 309 E CA -0.989 55.496 56.400 0.142 0.000 0.841 309 E CB 2.302 32.171 29.700 0.281 0.000 1.109 309 E HN -0.717 7.646 8.360 0.108 0.062 0.394 310 G N -0.050 108.794 108.800 0.074 0.000 2.448 310 G HA2 0.644 4.741 3.960 -0.035 0.000 0.285 310 G HA3 0.644 4.647 3.960 -0.086 -0.095 0.285 310 G C -2.081 172.853 174.900 0.057 0.000 1.176 310 G CA -0.959 44.135 45.100 -0.010 0.000 0.852 310 G HN 0.415 8.735 8.290 0.049 0.000 0.530 311 I N 0.994 121.546 120.570 -0.030 0.000 2.569 311 I HA 0.609 5.020 4.170 0.082 -0.191 0.290 311 I C -1.539 174.514 176.117 -0.107 0.000 1.088 311 I CA -0.770 60.534 61.300 0.006 0.000 1.047 311 I CB 4.148 42.168 38.000 0.034 0.000 1.237 311 I HN 0.371 8.514 8.210 -0.112 0.000 0.421 312 I N 5.339 125.835 120.570 -0.123 0.000 2.389 312 I HA 0.456 4.679 4.170 -0.133 -0.133 0.288 312 I C -2.020 174.021 176.117 -0.126 0.000 0.999 312 I CA -1.448 59.756 61.300 -0.160 0.000 1.129 312 I CB 2.892 40.725 38.000 -0.279 0.000 1.288 312 I HN 0.835 8.983 8.210 -0.103 0.000 0.444 313 A N 7.919 130.688 122.820 -0.086 0.000 2.256 313 A HA 0.565 5.116 4.320 -0.083 -0.281 0.317 313 A C -1.307 176.219 177.584 -0.097 0.000 1.318 313 A CA -1.891 50.098 52.037 -0.079 0.000 0.894 313 A CB 1.558 20.528 19.000 -0.050 0.000 1.165 313 A HN 0.723 8.828 8.150 -0.074 0.000 0.525 314 S N 4.657 120.264 115.700 -0.156 0.000 2.416 314 S HA 0.114 4.503 4.470 -0.135 0.000 0.302 314 S C 0.889 175.369 174.600 -0.200 0.000 1.120 314 S CA -1.743 56.324 58.200 -0.222 0.000 1.067 314 S CB 0.514 63.392 63.200 -0.536 0.000 1.057 314 S HN 0.086 8.295 8.310 -0.168 0.000 0.518 315 N N 8.998 127.627 118.700 -0.118 0.000 2.309 315 N HA -0.357 4.325 4.740 -0.097 0.000 0.182 315 N C 1.569 177.029 175.510 -0.084 0.000 1.018 315 N CA 2.903 55.900 53.050 -0.087 0.000 0.876 315 N CB -0.541 37.920 38.487 -0.044 0.000 0.972 315 N HN 0.231 8.559 8.380 -0.087 0.000 0.434 316 Q N 1.633 121.367 119.800 -0.110 0.000 2.050 316 Q HA -0.297 4.013 4.340 -0.051 0.000 0.202 316 Q C 1.855 177.775 176.000 -0.133 0.000 0.980 316 Q CA 3.014 58.765 55.803 -0.087 0.000 0.840 316 Q CB -0.333 28.399 28.738 -0.009 0.000 0.898 316 Q HN -0.156 8.023 8.270 -0.113 0.023 0.424 317 S N -0.263 115.227 115.700 -0.348 0.000 2.368 317 S HA -0.347 4.025 4.470 -0.163 0.000 0.225 317 S C 2.105 176.658 174.600 -0.078 0.000 1.030 317 S CA 2.866 60.892 58.200 -0.291 0.000 0.999 317 S CB -0.105 62.730 63.200 -0.609 0.000 0.844 317 S HN -0.573 7.424 8.310 -0.521 0.000 0.459 318 A N 1.612 124.397 122.820 -0.059 0.000 1.948 318 A HA -0.261 4.127 4.320 0.113 0.000 0.220 318 A C 2.218 179.968 177.584 0.276 0.000 1.177 318 A CA 2.815 54.909 52.037 0.095 0.000 0.636 318 A CB -0.754 18.246 19.000 0.000 0.000 0.815 318 A HN -0.214 7.858 8.150 -0.130 0.000 0.449 319 N N -4.181 114.613 118.700 0.157 0.000 2.550 319 N HA -0.111 4.745 4.740 0.193 0.000 0.186 319 N C -0.250 175.281 175.510 0.035 0.000 1.110 319 N CA 1.714 54.818 53.050 0.089 0.000 0.912 319 N CB 0.039 38.498 38.487 -0.046 0.000 0.968 319 N HN -0.415 7.978 8.380 0.060 0.022 0.448 320 R N -4.550 116.005 120.500 0.091 0.000 2.546 320 R HA 0.258 4.634 4.340 0.059 0.000 0.320 320 R C -1.175 175.207 176.300 0.137 0.000 1.021 320 R CA -2.596 53.552 56.100 0.080 0.000 1.088 320 R CB -0.152 30.164 30.300 0.025 0.000 1.278 320 R HN -0.582 7.559 8.270 0.084 0.180 0.557 321 D N 1.353 121.879 120.400 0.210 0.000 2.338 321 D HA -0.061 4.632 4.640 0.089 0.000 0.255 321 D C 0.095 176.442 176.300 0.079 0.000 1.237 321 D CA -0.426 53.649 54.000 0.124 0.000 0.883 321 D CB 0.536 41.405 40.800 0.115 0.000 1.087 321 D HN -0.716 7.675 8.370 0.302 0.160 0.485 322 E N 7.234 127.461 120.200 0.045 0.000 2.267 322 E HA -0.308 4.229 4.350 0.032 -0.168 0.197 322 E C 1.503 178.081 176.600 -0.036 0.000 0.998 322 E CA 2.652 59.061 56.400 0.015 0.000 0.830 322 E CB -0.294 29.415 29.700 0.014 0.000 0.751 322 E HN 0.418 8.806 8.360 0.048 0.000 0.491 323 E N -1.513 118.652 120.200 -0.058 0.000 2.274 323 E HA -0.237 4.066 4.350 -0.079 0.000 0.194 323 E C 0.831 177.322 176.600 -0.182 0.000 0.996 323 E CA 2.216 58.559 56.400 -0.095 0.000 0.840 323 E CB 0.146 29.802 29.700 -0.072 0.000 0.772 323 E HN -0.609 7.956 8.360 -0.038 -0.227 0.491 324 V N -3.635 116.106 119.914 -0.288 0.000 2.743 324 V HA -0.049 3.771 4.120 -0.500 0.000 0.237 324 V C 0.139 175.825 176.094 -0.679 0.000 1.113 324 V CA 1.658 63.598 62.300 -0.599 0.000 1.141 324 V CB 1.768 33.006 31.823 -0.975 0.000 0.873 324 V HN -0.589 7.308 8.190 -0.221 0.160 0.486 325 F N -0.220 119.658 119.950 -0.120 0.000 2.325 325 F HA 0.183 4.607 4.527 -0.173 0.000 0.369 325 F C -1.243 174.480 175.800 -0.127 0.000 1.095 325 F CA -1.918 55.996 58.000 -0.144 0.000 1.082 325 F CB 0.014 38.933 39.000 -0.135 0.000 1.289 325 F HN -0.226 7.947 8.300 -0.211 0.000 0.462 326 E N 4.654 124.848 120.200 -0.009 0.000 2.413 326 E HA -0.246 4.089 4.350 -0.026 0.000 0.263 326 E C -0.260 176.326 176.600 -0.023 0.000 1.015 326 E CA 0.910 57.292 56.400 -0.030 0.000 0.916 326 E CB 0.841 30.507 29.700 -0.057 0.000 0.947 326 E HN 0.521 8.856 8.360 -0.041 0.000 0.440 327 N N 3.468 122.161 118.700 -0.011 0.000 2.688 327 N HA -0.252 4.492 4.740 0.007 0.000 0.258 327 N C -1.026 174.487 175.510 0.006 0.000 1.016 327 N CA 0.503 53.550 53.050 -0.004 0.000 0.747 327 N CB -1.635 36.840 38.487 -0.019 0.000 0.895 327 N HN 0.768 9.142 8.380 -0.009 0.000 0.543 328 P HA -0.078 4.359 4.420 0.028 0.000 0.223 328 P C -0.156 177.175 177.300 0.050 0.000 1.151 328 P CA 1.880 65.006 63.100 0.043 0.000 0.787 328 P CB 0.091 31.839 31.700 0.080 0.000 0.788 329 D N -3.566 116.876 120.400 0.070 0.000 2.339 329 D HA 0.034 4.734 4.640 0.100 0.000 0.217 329 D C -0.456 175.994 176.300 0.251 0.000 1.050 329 D CA 0.040 54.115 54.000 0.124 0.000 0.856 329 D CB -0.675 40.170 40.800 0.075 0.000 0.922 329 D HN 0.173 8.535 8.370 0.057 0.042 0.518 330 E N 0.400 120.696 120.200 0.160 0.000 2.227 330 E HA 0.066 4.524 4.350 0.180 0.000 0.282 330 E C -1.927 174.679 176.600 0.011 0.000 1.015 330 E CA -0.857 55.613 56.400 0.117 0.000 0.823 330 E CB 1.275 30.992 29.700 0.028 0.000 1.081 330 E HN -0.745 7.605 8.360 0.095 0.067 0.396 331 F N 7.617 127.403 119.950 -0.275 0.000 2.413 331 F HA 0.072 4.382 4.527 -0.588 -0.135 0.359 331 F C -1.320 174.217 175.800 -0.438 0.000 1.122 331 F CA 0.388 58.004 58.000 -0.641 0.000 1.160 331 F CB 0.517 38.790 39.000 -1.212 0.000 1.146 331 F HN 0.416 8.753 8.300 0.061 0.000 0.514 332 N N 8.887 127.141 118.700 -0.744 0.000 2.549 332 N HA 0.257 4.845 4.740 -0.253 0.000 0.281 332 N C 0.120 175.352 175.510 -0.463 0.000 1.084 332 N CA -0.870 51.928 53.050 -0.420 0.000 0.862 332 N CB 1.282 39.602 38.487 -0.278 0.000 1.333 332 N HN 0.435 8.612 8.380 -0.955 -0.370 0.523 333 M N 3.522 122.970 119.600 -0.254 0.000 2.358 333 M HA -0.172 4.211 4.480 -0.161 0.000 0.264 333 M C -0.368 175.934 176.300 0.003 0.000 1.064 333 M CA 3.249 58.511 55.300 -0.063 0.000 1.093 333 M CB -0.163 32.564 32.600 0.212 0.000 1.401 333 M HN 0.216 8.748 8.290 -0.126 -0.318 0.440 334 N N -2.229 116.449 118.700 -0.037 0.000 2.295 334 N HA 0.088 4.857 4.740 0.048 0.000 0.221 334 N C -0.089 175.376 175.510 -0.075 0.000 1.129 334 N CA -0.810 52.236 53.050 -0.006 0.000 0.836 334 N CB 0.221 38.708 38.487 0.000 0.000 1.040 334 N HN -0.528 8.021 8.380 -0.069 -0.210 0.494 335 R N 1.705 122.084 120.500 -0.202 0.000 2.538 335 R HA -0.317 3.806 4.340 -0.363 0.000 0.273 335 R C -0.792 175.291 176.300 -0.362 0.000 0.967 335 R CA 1.230 57.070 56.100 -0.434 0.000 1.101 335 R CB 0.595 30.343 30.300 -0.919 0.000 0.908 335 R HN -0.506 7.367 8.270 -0.206 0.273 0.411 336 K N 6.519 126.745 120.400 -0.290 0.000 2.273 336 K HA 0.036 4.347 4.320 -0.016 0.000 0.287 336 K C -0.786 175.712 176.600 -0.169 0.000 1.089 336 K CA -0.242 55.971 56.287 -0.124 0.000 0.909 336 K CB 0.144 32.604 32.500 -0.067 0.000 1.123 336 K HN 0.222 8.303 8.250 -0.281 0.000 0.473 337 W N 5.763 127.086 121.300 0.039 0.000 2.218 337 W HA 0.054 4.789 4.660 0.125 0.000 0.326 337 W C -1.096 175.450 176.519 0.046 0.000 1.276 337 W CA -1.808 55.584 57.345 0.079 0.000 1.210 337 W CB -0.346 29.164 29.460 0.084 0.000 1.143 337 W HN -0.083 8.278 8.180 0.302 0.000 0.563 338 P HA 0.212 4.654 4.420 0.037 0.000 0.279 338 P C -1.861 175.503 177.300 0.107 0.000 1.282 338 P CA -1.459 61.680 63.100 0.064 0.000 0.788 338 P CB -0.065 31.553 31.700 -0.137 0.000 1.139 339 P HA -0.051 4.419 4.420 0.084 0.000 0.222 339 P C -0.713 176.627 177.300 0.066 0.000 1.153 339 P CA 0.808 63.942 63.100 0.056 0.000 0.798 339 P CB 0.243 31.960 31.700 0.029 0.000 0.796 340 Q N -0.398 119.396 119.800 -0.010 0.000 2.332 340 Q HA -0.009 4.378 4.340 0.079 0.000 0.263 340 Q C -0.648 175.450 176.000 0.163 0.000 0.979 340 Q CA 0.515 56.315 55.803 -0.005 0.000 0.885 340 Q CB 0.116 28.648 28.738 -0.342 0.000 1.218 340 Q HN -0.384 7.803 8.270 -0.083 0.033 0.405 341 D N 3.524 124.101 120.400 0.295 0.000 2.424 341 D HA 0.082 4.908 4.640 0.311 0.000 0.244 341 D C -1.274 175.349 176.300 0.538 0.000 1.134 341 D CA -1.324 52.900 54.000 0.373 0.000 0.881 341 D CB -0.115 40.932 40.800 0.412 0.000 1.191 341 D HN -0.086 8.463 8.370 0.299 0.000 0.445 342 P HA -0.038 4.843 4.420 0.627 -0.085 0.269 342 P C -1.624 175.867 177.300 0.318 0.000 1.215 342 P CA 0.166 63.536 63.100 0.450 0.000 0.780 342 P CB 1.250 33.090 31.700 0.232 0.000 0.898 343 L N -1.937 119.426 121.223 0.233 0.000 3.017 343 L HA 0.434 4.906 4.340 0.220 0.000 0.255 343 L C 2.062 178.983 176.870 0.086 0.000 1.247 343 L CA -1.008 53.927 54.840 0.158 0.000 1.038 343 L CB -0.337 41.744 42.059 0.037 0.000 1.380 343 L HN 0.154 8.876 8.230 0.214 -0.364 0.548 344 G N 1.003 109.834 108.800 0.052 0.000 2.462 344 G HA2 -0.263 3.609 3.960 -0.147 0.000 0.220 344 G HA3 -0.263 3.671 3.960 -0.237 -0.116 0.220 344 G C 0.088 174.771 174.900 -0.362 0.000 1.121 344 G CA 1.845 46.845 45.100 -0.166 0.000 0.758 344 G HN 0.282 8.636 8.290 0.107 0.000 0.559 345 F N -1.410 118.571 119.950 0.052 0.000 2.647 345 F HA 0.160 4.704 4.527 0.028 0.000 0.300 345 F C -0.498 175.341 175.800 0.065 0.000 1.106 345 F CA -1.030 56.993 58.000 0.038 0.000 1.313 345 F CB -0.060 38.943 39.000 0.006 0.000 1.007 345 F HN -0.449 7.971 8.300 0.266 0.040 0.536 346 G N 0.042 108.954 108.800 0.186 0.000 2.593 346 G HA2 -0.411 3.638 3.960 0.148 0.000 0.237 346 G HA3 -0.411 3.653 3.960 0.172 0.000 0.237 346 G C -2.459 172.636 174.900 0.325 0.000 1.312 346 G CA 0.057 45.274 45.100 0.194 0.000 0.896 346 G HN -0.588 7.606 8.290 0.132 0.175 0.574 347 F N -0.474 119.514 119.950 0.064 0.000 2.744 347 F HA 0.091 4.657 4.527 0.064 0.000 0.311 347 F C -1.910 173.921 175.800 0.052 0.000 1.144 347 F CA -0.468 57.563 58.000 0.051 0.000 0.938 347 F CB 2.374 41.383 39.000 0.015 0.000 1.292 347 F HN -0.179 8.276 8.300 0.258 0.000 0.444 348 G N 4.422 112.950 108.800 -0.453 0.000 2.642 348 G HA2 -0.413 3.335 3.960 -0.354 0.000 0.231 348 G HA3 -0.413 3.503 3.960 -0.074 0.000 0.231 348 G C 0.616 175.451 174.900 -0.109 0.000 1.338 348 G CA 0.228 45.186 45.100 -0.237 0.000 0.883 348 G HN 0.132 7.773 8.290 -1.080 0.000 0.570 349 D N 2.542 122.914 120.400 -0.047 0.000 2.218 349 D HA -0.178 4.444 4.640 -0.030 0.000 0.204 349 D C 0.558 176.869 176.300 0.019 0.000 0.976 349 D CA 2.378 56.363 54.000 -0.025 0.000 0.853 349 D CB -0.284 40.499 40.800 -0.029 0.000 0.939 349 D HN 0.482 8.831 8.370 -0.035 0.000 0.481 350 H N -4.183 114.901 119.070 0.023 0.000 2.547 350 H HA -0.005 4.664 4.556 0.188 0.000 0.266 350 H C -0.528 174.859 175.328 0.097 0.000 0.988 350 H CA 0.521 56.609 56.048 0.067 0.000 1.147 350 H CB 0.315 30.054 29.762 -0.039 0.000 1.365 350 H HN -0.085 8.245 8.280 0.127 0.026 0.589 351 R N 0.339 120.926 120.500 0.145 0.000 2.566 351 R HA -0.366 4.175 4.340 0.154 -0.108 0.273 351 R C 0.384 176.747 176.300 0.105 0.000 0.981 351 R CA 0.768 56.938 56.100 0.117 0.000 1.091 351 R CB 0.009 30.331 30.300 0.036 0.000 0.924 351 R HN -0.777 7.378 8.270 0.097 0.173 0.411 352 C N 7.126 126.508 119.300 0.136 0.000 2.155 352 C HA -0.157 4.375 4.460 0.119 0.000 0.396 352 C C 1.514 176.493 174.990 -0.019 0.000 1.545 352 C CA 1.263 60.349 59.018 0.112 0.000 1.442 352 C CB -0.878 27.023 27.740 0.268 0.000 2.553 352 C HN 0.093 8.434 8.230 0.184 0.000 0.598 353 I N 8.047 128.588 120.570 -0.049 0.000 2.335 353 I HA -0.325 3.771 4.170 -0.123 0.000 0.251 353 I C -0.044 175.903 176.117 -0.283 0.000 1.129 353 I CA 2.435 63.627 61.300 -0.180 0.000 1.402 353 I CB 0.390 38.240 38.000 -0.248 0.000 1.069 353 I HN 0.716 8.931 8.210 0.009 0.000 0.424 354 A N -2.785 119.878 122.820 -0.261 0.000 2.415 354 A HA 0.216 4.506 4.320 -0.050 0.000 0.248 354 A C 0.242 177.741 177.584 -0.142 0.000 1.299 354 A CA -0.782 51.170 52.037 -0.143 0.000 0.899 354 A CB -0.452 18.496 19.000 -0.087 0.000 0.997 354 A HN -0.609 7.388 8.150 -0.186 0.041 0.506 355 E N 0.892 120.861 120.200 -0.385 0.000 2.058 355 E HA -0.475 3.204 4.350 -1.118 0.000 0.194 355 E C 0.857 177.053 176.600 -0.673 0.000 0.997 355 E CA 3.906 59.794 56.400 -0.853 0.000 0.801 355 E CB -0.009 29.108 29.700 -0.973 0.000 0.746 355 E HN -0.592 7.480 8.360 -0.360 0.072 0.450 356 H N -2.403 116.553 119.070 -0.189 0.000 2.357 356 H HA -0.193 4.275 4.556 -0.147 0.000 0.301 356 H C 2.516 177.830 175.328 -0.023 0.000 1.082 356 H CA 2.796 58.783 56.048 -0.102 0.000 1.342 356 H CB -0.826 28.915 29.762 -0.035 0.000 1.389 356 H HN 0.214 7.977 8.280 -0.861 0.000 0.511 357 L N 0.380 121.687 121.223 0.141 0.000 2.012 357 L HA -0.398 4.032 4.340 0.150 0.000 0.210 357 L C 1.136 178.074 176.870 0.113 0.000 1.073 357 L CA 3.048 57.984 54.840 0.160 0.000 0.748 357 L CB -0.746 41.479 42.059 0.276 0.000 0.891 357 L HN -0.221 8.104 8.230 0.158 0.000 0.431 358 A N -1.501 121.371 122.820 0.088 0.000 1.877 358 A HA -0.335 4.077 4.320 0.153 0.000 0.216 358 A C 2.066 179.736 177.584 0.142 0.000 1.186 358 A CA 3.192 55.316 52.037 0.145 0.000 0.620 358 A CB -0.652 18.519 19.000 0.285 0.000 0.822 358 A HN 0.348 8.529 8.150 0.051 0.000 0.443 359 K N -2.263 118.163 120.400 0.043 0.000 2.097 359 K HA -0.390 4.024 4.320 0.157 0.000 0.206 359 K C 1.976 178.642 176.600 0.109 0.000 1.049 359 K CA 3.039 59.375 56.287 0.081 0.000 0.933 359 K CB -0.016 32.475 32.500 -0.015 0.000 0.717 359 K HN -0.305 7.898 8.250 -0.079 0.000 0.442 360 A N -0.774 122.099 122.820 0.090 0.000 1.898 360 A HA -0.179 4.195 4.320 0.090 0.000 0.216 360 A C 2.390 180.028 177.584 0.090 0.000 1.181 360 A CA 2.817 54.908 52.037 0.089 0.000 0.620 360 A CB -0.614 18.434 19.000 0.080 0.000 0.819 360 A HN -0.337 7.860 8.150 0.078 0.000 0.442 361 E N -0.778 119.475 120.200 0.087 0.000 2.058 361 E HA -0.407 3.958 4.350 0.025 0.000 0.194 361 E C 2.624 179.275 176.600 0.084 0.000 0.997 361 E CA 3.156 59.590 56.400 0.057 0.000 0.801 361 E CB -0.150 29.577 29.700 0.045 0.000 0.746 361 E HN -0.296 8.121 8.360 0.095 0.000 0.450 362 L N -2.395 118.930 121.223 0.170 0.000 2.046 362 L HA -0.392 4.116 4.340 0.279 0.000 0.208 362 L C 2.087 179.178 176.870 0.369 0.000 1.077 362 L CA 3.357 58.382 54.840 0.307 0.000 0.747 362 L CB -0.290 42.001 42.059 0.386 0.000 0.896 362 L HN -0.004 8.329 8.230 0.172 0.000 0.432 363 T N -2.530 112.188 114.554 0.274 0.000 2.746 363 T HA -0.386 4.177 4.350 0.356 0.000 0.267 363 T C 2.122 176.938 174.700 0.193 0.000 1.039 363 T CA 4.119 66.377 62.100 0.264 0.000 1.142 363 T CB -0.371 68.608 68.868 0.185 0.000 0.866 363 T HN 0.098 8.472 8.240 0.223 0.000 0.444 364 T N 4.551 119.176 114.554 0.117 0.000 2.708 364 T HA -0.385 4.003 4.350 0.063 0.000 0.266 364 T C 1.618 176.338 174.700 0.033 0.000 1.037 364 T CA 4.314 66.450 62.100 0.061 0.000 1.146 364 T CB -0.025 68.856 68.868 0.022 0.000 0.865 364 T HN -0.403 7.904 8.240 0.112 0.000 0.435 365 V N 0.943 120.851 119.914 -0.011 0.000 2.255 365 V HA -0.462 3.645 4.120 -0.021 0.000 0.247 365 V C 1.581 177.530 176.094 -0.241 0.000 1.051 365 V CA 4.362 66.573 62.300 -0.148 0.000 1.018 365 V CB -0.467 31.150 31.823 -0.344 0.000 0.641 365 V HN -0.235 7.961 8.190 0.010 0.000 0.445 366 F N -4.442 115.628 119.950 0.200 0.000 2.780 366 F HA -0.134 4.517 4.527 0.207 0.000 0.299 366 F C 1.114 177.003 175.800 0.148 0.000 1.146 366 F CA 2.391 60.510 58.000 0.199 0.000 1.428 366 F CB -0.161 39.000 39.000 0.268 0.000 1.115 366 F HN -0.212 8.165 8.300 0.129 0.000 0.583 367 S N -4.130 111.694 115.700 0.206 0.000 2.548 367 S HA 0.096 4.661 4.470 0.157 0.000 0.215 367 S C 0.555 175.198 174.600 0.071 0.000 0.976 367 S CA 1.213 59.497 58.200 0.139 0.000 0.908 367 S CB 0.516 63.785 63.200 0.114 0.000 0.781 367 S HN -0.175 8.207 8.310 0.182 0.038 0.519 368 T N 3.235 117.802 114.554 0.021 0.000 3.058 368 T HA 0.104 4.426 4.350 -0.046 0.000 0.247 368 T C 1.046 175.658 174.700 -0.146 0.000 0.987 368 T CA 1.677 63.743 62.100 -0.056 0.000 1.062 368 T CB 1.303 70.132 68.868 -0.065 0.000 1.048 368 T HN -0.623 7.462 8.240 0.023 0.169 0.468 369 L N 2.157 123.247 121.223 -0.221 0.000 2.013 369 L HA -0.352 3.692 4.340 -0.493 0.000 0.212 369 L C 0.512 177.118 176.870 -0.440 0.000 1.073 369 L CA 4.057 58.622 54.840 -0.457 0.000 0.753 369 L CB 0.048 41.715 42.059 -0.654 0.000 0.890 369 L HN -0.070 8.057 8.230 -0.171 0.000 0.432 370 Y N -7.488 112.782 120.300 -0.051 0.000 2.511 370 Y HA 0.066 4.799 4.550 0.021 -0.171 0.279 370 Y C 1.617 177.496 175.900 -0.034 0.000 1.157 370 Y CA 1.357 59.451 58.100 -0.010 0.000 1.300 370 Y CB -0.864 37.602 38.460 0.010 0.000 1.052 370 Y HN -0.085 8.201 8.280 0.010 0.000 0.529 371 Q N -0.926 118.889 119.800 0.027 0.000 2.096 371 Q HA -0.180 4.165 4.340 0.009 0.000 0.197 371 Q C 1.560 177.481 176.000 -0.132 0.000 0.964 371 Q CA 2.015 57.800 55.803 -0.031 0.000 0.838 371 Q CB -0.460 28.257 28.738 -0.035 0.000 0.906 371 Q HN -0.526 7.721 8.270 0.012 0.031 0.444 372 K N -0.871 119.360 120.400 -0.282 0.000 2.025 372 K HA -0.152 3.889 4.320 -0.465 0.000 0.207 372 K C -0.077 176.165 176.600 -0.596 0.000 1.049 372 K CA 2.017 57.961 56.287 -0.572 0.000 0.933 372 K CB 0.833 32.777 32.500 -0.926 0.000 0.714 372 K HN -0.491 7.596 8.250 -0.271 0.000 0.438 373 F N -3.171 116.683 119.950 -0.161 0.000 2.531 373 F HA 0.479 4.977 4.527 -0.049 0.000 0.333 373 F C -1.684 174.122 175.800 0.010 0.000 1.292 373 F CA -3.224 54.711 58.000 -0.109 0.000 1.184 373 F CB 0.629 39.481 39.000 -0.246 0.000 1.426 373 F HN -0.543 7.614 8.300 -0.238 0.000 0.559 374 P HA 0.013 4.717 4.420 0.243 -0.138 0.222 374 P C -1.031 176.393 177.300 0.207 0.000 1.147 374 P CA 1.387 64.605 63.100 0.196 0.000 0.790 374 P CB 0.321 32.092 31.700 0.118 0.000 0.780 375 D N -4.076 116.446 120.400 0.202 0.000 2.427 375 D HA 0.060 4.782 4.640 0.138 0.000 0.224 375 D C -0.257 176.144 176.300 0.169 0.000 1.157 375 D CA -0.984 53.111 54.000 0.158 0.000 0.828 375 D CB -0.698 40.172 40.800 0.117 0.000 0.974 375 D HN -0.049 8.407 8.370 0.225 0.049 0.498 376 L N 3.275 124.632 121.223 0.222 0.000 2.499 376 L HA -0.102 4.528 4.340 0.146 -0.203 0.273 376 L C -1.418 175.551 176.870 0.166 0.000 1.195 376 L CA 0.987 55.929 54.840 0.170 0.000 0.882 376 L CB 0.482 42.597 42.059 0.093 0.000 1.133 376 L HN -0.744 7.570 8.230 0.267 0.077 0.483 377 K N 6.209 126.669 120.400 0.099 0.000 2.464 377 K HA 0.315 4.696 4.320 0.101 0.000 0.253 377 K C -1.990 174.639 176.600 0.048 0.000 0.933 377 K CA -1.908 54.424 56.287 0.075 0.000 0.801 377 K CB 4.239 36.764 32.500 0.042 0.000 1.271 377 K HN 0.291 8.587 8.250 0.078 0.000 0.430 378 V N 3.204 123.148 119.914 0.050 0.000 2.585 378 V HA -0.136 4.144 4.120 0.022 -0.146 0.296 378 V C 0.298 176.395 176.094 0.005 0.000 1.035 378 V CA 0.257 62.573 62.300 0.026 0.000 1.084 378 V CB -0.332 31.509 31.823 0.029 0.000 0.953 378 V HN 0.544 8.772 8.190 0.064 0.000 0.483 379 A N 8.165 130.978 122.820 -0.011 0.000 2.379 379 A HA 0.208 4.514 4.320 -0.023 0.000 0.236 379 A C -0.914 176.657 177.584 -0.021 0.000 1.272 379 A CA 0.072 52.095 52.037 -0.024 0.000 0.886 379 A CB 0.582 19.556 19.000 -0.042 0.000 0.962 379 A HN 0.572 8.613 8.150 -0.012 0.103 0.504 380 V N -6.041 113.864 119.914 -0.016 0.000 3.074 380 V HA 0.532 4.644 4.120 -0.013 0.000 0.314 380 V C -2.838 173.253 176.094 -0.005 0.000 1.117 380 V CA -3.900 58.393 62.300 -0.013 0.000 1.014 380 V CB 1.067 32.880 31.823 -0.017 0.000 1.057 380 V HN -0.685 7.437 8.190 -0.014 0.060 0.438 381 P HA 0.071 4.496 4.420 0.008 0.000 0.266 381 P C 0.381 177.691 177.300 0.016 0.000 1.195 381 P CA -0.029 63.076 63.100 0.008 0.000 0.768 381 P CB 0.589 32.295 31.700 0.010 0.000 0.838 382 L N 2.904 124.141 121.223 0.025 0.000 2.127 382 L HA -0.311 4.049 4.340 0.032 0.000 0.211 382 L C 2.304 179.219 176.870 0.075 0.000 1.089 382 L CA 2.640 57.506 54.840 0.044 0.000 0.757 382 L CB -0.595 41.493 42.059 0.049 0.000 0.899 382 L HN 0.205 8.448 8.230 0.021 0.000 0.434 383 G N -2.074 106.765 108.800 0.065 0.000 2.559 383 G HA2 -0.192 3.837 3.960 0.116 0.000 0.216 383 G HA3 -0.192 3.806 3.960 0.063 0.000 0.216 383 G C 0.223 175.175 174.900 0.086 0.000 1.126 383 G CA 1.044 46.195 45.100 0.084 0.000 0.778 383 G HN 0.324 8.624 8.290 0.047 0.017 0.543 384 K N -1.217 119.215 120.400 0.053 0.000 2.387 384 K HA 0.111 4.459 4.320 0.047 0.000 0.198 384 K C -0.267 176.337 176.600 0.007 0.000 1.022 384 K CA -1.583 54.724 56.287 0.034 0.000 1.128 384 K CB 0.199 32.707 32.500 0.013 0.000 0.853 384 K HN -0.368 7.728 8.250 0.041 0.178 0.523 385 I N 0.956 121.514 120.570 -0.021 0.000 2.775 385 I HA -0.329 3.745 4.170 -0.159 0.000 0.290 385 I C -1.116 174.879 176.117 -0.204 0.000 1.203 385 I CA 1.338 62.524 61.300 -0.190 0.000 1.433 385 I CB 0.159 37.916 38.000 -0.404 0.000 1.354 385 I HN -0.804 7.365 8.210 0.023 0.055 0.579 386 N N 8.145 126.721 118.700 -0.206 0.000 2.555 386 N HA 0.096 4.822 4.740 -0.024 0.000 0.244 386 N C -1.689 173.724 175.510 -0.162 0.000 1.114 386 N CA -1.549 51.436 53.050 -0.109 0.000 0.963 386 N CB -0.251 38.197 38.487 -0.067 0.000 1.276 386 N HN 0.440 8.698 8.380 -0.202 0.000 0.510 387 Y N 3.696 123.995 120.300 -0.001 0.000 2.299 387 Y HA 0.030 4.696 4.550 -0.011 -0.122 0.335 387 Y C 1.495 177.389 175.900 -0.010 0.000 1.287 387 Y CA 0.507 58.602 58.100 -0.007 0.000 1.424 387 Y CB 1.177 39.635 38.460 -0.004 0.000 1.326 387 Y HN -0.609 7.762 8.280 0.151 0.000 0.567 388 T N 1.114 115.766 114.554 0.162 0.000 2.855 388 T HA 0.062 4.445 4.350 0.054 0.000 0.322 388 T C -1.010 173.733 174.700 0.072 0.000 1.088 388 T CA -1.163 60.985 62.100 0.080 0.000 1.104 388 T CB -0.413 68.487 68.868 0.053 0.000 0.996 388 T HN 0.208 8.449 8.240 0.188 0.111 0.549 389 P HA -0.050 4.386 4.420 0.026 0.000 0.267 389 P C 0.220 177.524 177.300 0.007 0.000 1.200 389 P CA 0.259 63.371 63.100 0.019 0.000 0.772 389 P CB 0.532 32.234 31.700 0.003 0.000 0.855 390 L N 1.073 122.295 121.223 -0.003 0.000 2.362 390 L HA -0.317 4.011 4.340 -0.020 0.000 0.219 390 L C 1.029 177.880 176.870 -0.032 0.000 1.134 390 L CA 2.492 57.320 54.840 -0.020 0.000 0.807 390 L CB -0.453 41.589 42.059 -0.029 0.000 0.927 390 L HN 0.198 8.428 8.230 -0.000 0.000 0.447 391 N N -4.718 113.961 118.700 -0.035 0.000 2.370 391 N HA -0.069 4.631 4.740 -0.066 0.000 0.198 391 N C -0.342 175.129 175.510 -0.066 0.000 1.156 391 N CA -0.140 52.876 53.050 -0.057 0.000 0.839 391 N CB -0.041 38.413 38.487 -0.056 0.000 0.989 391 N HN 0.050 8.375 8.380 -0.028 0.038 0.468 392 R N -0.474 120.000 120.500 -0.043 0.000 2.923 392 R HA 0.293 4.601 4.340 -0.053 0.000 0.252 392 R C -1.184 175.103 176.300 -0.021 0.000 1.130 392 R CA -2.430 53.647 56.100 -0.038 0.000 1.043 392 R CB 1.538 31.824 30.300 -0.023 0.000 1.205 392 R HN -0.307 7.852 8.270 -0.031 0.092 0.495 393 D N 0.239 120.631 120.400 -0.013 0.000 2.449 393 D HA -0.160 4.490 4.640 0.016 0.000 0.236 393 D C -0.510 175.800 176.300 0.017 0.000 1.149 393 D CA 1.158 55.162 54.000 0.006 0.000 0.878 393 D CB 0.530 41.331 40.800 0.002 0.000 1.198 393 D HN 0.155 8.513 8.370 -0.021 0.000 0.446 394 V N 1.426 121.358 119.914 0.031 0.000 2.763 394 V HA -0.305 3.839 4.120 0.040 0.000 0.306 394 V C -0.649 175.468 176.094 0.037 0.000 1.059 394 V CA 1.092 63.415 62.300 0.039 0.000 1.138 394 V CB 0.424 32.279 31.823 0.054 0.000 0.940 394 V HN 0.331 8.544 8.190 0.038 0.000 0.489 395 G N 4.896 113.741 108.800 0.075 0.000 2.349 395 G HA2 0.350 4.327 3.960 0.029 0.000 0.294 395 G HA3 0.350 4.419 3.960 0.038 -0.086 0.294 395 G C -2.579 172.382 174.900 0.101 0.000 1.380 395 G CA 0.187 45.322 45.100 0.058 0.000 0.811 395 G HN -0.648 7.717 8.290 0.125 0.000 0.519 396 I N -0.491 120.088 120.570 0.014 0.000 2.499 396 I HA 0.286 4.507 4.170 -0.099 -0.111 0.288 396 I C -0.591 175.496 176.117 -0.050 0.000 1.048 396 I CA -0.577 60.679 61.300 -0.073 0.000 1.062 396 I CB 3.402 41.312 38.000 -0.150 0.000 1.238 396 I HN -0.046 8.421 8.210 0.006 -0.255 0.426 397 V N 6.427 126.307 119.914 -0.055 0.000 2.346 397 V HA -0.128 3.977 4.120 -0.025 0.000 0.244 397 V C -0.027 176.043 176.094 -0.040 0.000 1.037 397 V CA 1.720 63.999 62.300 -0.035 0.000 1.029 397 V CB 0.516 32.324 31.823 -0.025 0.000 0.663 397 V HN 0.461 8.607 8.190 -0.073 0.000 0.454 398 D N -5.147 115.219 120.400 -0.056 0.000 2.602 398 D HA 0.081 4.785 4.640 -0.033 -0.084 0.236 398 D C -2.302 173.960 176.300 -0.062 0.000 1.209 398 D CA -0.946 53.028 54.000 -0.044 0.000 0.831 398 D CB 3.370 44.150 40.800 -0.033 0.000 1.478 398 D HN -0.767 7.557 8.370 -0.077 0.000 0.438 399 L N -1.195 120.005 121.223 -0.039 0.000 2.563 399 L HA 0.610 4.913 4.340 -0.062 0.000 0.259 399 L C -2.953 173.907 176.870 -0.017 0.000 1.034 399 L CA -2.335 52.482 54.840 -0.039 0.000 0.899 399 L CB 3.159 45.203 42.059 -0.025 0.000 1.159 399 L HN 0.423 8.983 8.230 -0.024 -0.344 0.456 400 P HA 0.194 4.790 4.420 -0.014 -0.184 0.267 400 P C -1.039 176.254 177.300 -0.012 0.000 1.205 400 P CA -0.189 62.900 63.100 -0.018 0.000 0.765 400 P CB -0.056 31.628 31.700 -0.027 0.000 0.828 401 V N -2.039 117.872 119.914 -0.005 0.000 3.078 401 V HA 1.048 5.328 4.120 -0.001 -0.160 0.311 401 V C -1.803 174.265 176.094 -0.043 0.000 1.138 401 V CA -3.325 58.978 62.300 0.005 0.000 1.007 401 V CB 4.575 36.421 31.823 0.037 0.000 1.045 401 V HN 0.614 8.802 8.190 -0.003 0.000 0.432 402 I N -4.580 115.943 120.570 -0.079 0.000 3.067 402 I HA 0.502 4.373 4.170 -0.499 0.000 0.312 402 I C -2.325 173.690 176.117 -0.169 0.000 1.073 402 I CA -1.553 59.581 61.300 -0.277 0.000 1.016 402 I CB 3.060 40.917 38.000 -0.239 0.000 1.227 402 I HN 0.070 8.257 8.210 -0.039 0.000 0.456 403 F N 0.000 119.825 119.950 -0.208 0.000 2.286 403 F HA 0.000 4.448 4.527 -0.131 0.000 0.279 403 F CA 0.000 57.865 58.000 -0.224 0.000 1.383 403 F CB 0.000 38.639 39.000 -0.601 0.000 1.145 403 F HN 0.000 7.801 8.300 -0.832 0.000 0.574