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 1la3_1_A DATA FIRST_RESID 2 DATA SEQUENCE GNSKSGALSK EILEELQLNT KFTEEELSSW YQSFLKECPS GRITRQEFQT DATA SEQUENCE IYSKFFPEAD PKAYAQHVFR SFDANSDGTL DFKQYVIALH MTSAGKTNQK DATA SEQUENCE LEWAFSLYDV DGNGTISKNE VLEIVTAIFK MISPEDTKHL PEDENTPEKR DATA SEQUENCE AEKIWGFFGK KDDDKLTEKE FIEGTLANKE ILRLIQFE 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 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 4.006 3.960 0.077 0.000 0.244 2 G C 0.000 174.941 174.900 0.068 0.000 0.946 2 G CA 0.000 45.155 45.100 0.091 0.000 0.502 3 N N 3.474 122.204 118.700 0.049 0.000 2.420 3 N HA 0.166 4.931 4.740 0.042 0.000 0.249 3 N C 0.327 175.861 175.510 0.039 0.000 1.033 3 N CA -0.271 52.802 53.050 0.039 0.000 0.944 3 N CB 1.093 39.595 38.487 0.026 0.000 1.113 3 N HN 0.083 8.488 8.380 0.043 0.000 0.502 4 S N 5.737 121.465 115.700 0.048 0.000 2.374 4 S HA -0.434 4.075 4.470 0.065 0.000 0.227 4 S C 1.789 176.411 174.600 0.037 0.000 1.037 4 S CA 3.031 61.262 58.200 0.052 0.000 1.024 4 S CB 0.207 63.440 63.200 0.054 0.000 0.861 4 S HN 0.769 9.108 8.310 0.049 0.000 0.456 5 K N 1.706 122.123 120.400 0.029 0.000 2.044 5 K HA -0.299 4.034 4.320 0.022 0.000 0.210 5 K C 2.559 179.167 176.600 0.014 0.000 1.049 5 K CA 3.223 59.522 56.287 0.020 0.000 0.927 5 K CB -0.243 32.267 32.500 0.016 0.000 0.713 5 K HN 0.144 8.407 8.250 0.029 0.005 0.443 6 S N -3.001 112.704 115.700 0.009 0.000 2.469 6 S HA -0.190 4.276 4.470 -0.006 0.000 0.238 6 S C 1.396 175.987 174.600 -0.015 0.000 0.998 6 S CA 1.370 59.566 58.200 -0.006 0.000 0.957 6 S CB -0.337 62.855 63.200 -0.012 0.000 0.764 6 S HN -0.489 7.750 8.310 0.013 0.078 0.514 7 G N -1.254 107.547 108.800 0.002 0.000 2.421 7 G HA2 -0.083 3.860 3.960 -0.028 0.000 0.217 7 G HA3 -0.083 3.923 3.960 0.033 -0.025 0.217 7 G C 0.741 175.658 174.900 0.027 0.000 1.143 7 G CA 0.724 45.828 45.100 0.008 0.000 0.784 7 G HN -0.149 7.935 8.290 0.015 0.215 0.541 8 A N 3.101 125.937 122.820 0.028 0.000 1.940 8 A HA -0.254 4.091 4.320 0.041 0.000 0.219 8 A C 1.533 179.136 177.584 0.030 0.000 1.176 8 A CA 2.879 54.935 52.037 0.031 0.000 0.631 8 A CB -0.810 18.204 19.000 0.022 0.000 0.814 8 A HN -0.334 7.702 8.150 0.024 0.129 0.446 9 L N -4.765 116.469 121.223 0.017 0.000 2.349 9 L HA -0.354 3.997 4.340 0.017 0.000 0.220 9 L C 2.326 179.225 176.870 0.049 0.000 1.130 9 L CA 2.113 56.964 54.840 0.018 0.000 0.791 9 L CB -0.792 41.265 42.059 -0.005 0.000 0.918 9 L HN -0.464 7.757 8.230 0.008 0.014 0.444 10 S N 0.081 115.817 115.700 0.060 0.000 2.371 10 S HA -0.225 4.375 4.470 0.216 0.000 0.221 10 S C 1.524 176.228 174.600 0.173 0.000 1.036 10 S CA 3.340 61.630 58.200 0.151 0.000 0.965 10 S CB -0.078 63.196 63.200 0.123 0.000 0.845 10 S HN 0.270 8.403 8.310 0.038 0.200 0.475 11 K N 2.601 123.071 120.400 0.116 0.000 2.026 11 K HA -0.341 4.048 4.320 0.115 0.000 0.208 11 K C 2.143 178.773 176.600 0.050 0.000 1.048 11 K CA 3.796 60.138 56.287 0.090 0.000 0.929 11 K CB -0.116 32.425 32.500 0.069 0.000 0.713 11 K HN -0.761 7.546 8.250 0.095 0.000 0.439 12 E N -1.490 118.733 120.200 0.038 0.000 2.051 12 E HA -0.269 4.083 4.350 0.003 0.000 0.192 12 E C 2.428 179.028 176.600 0.000 0.000 0.991 12 E CA 3.093 59.500 56.400 0.012 0.000 0.799 12 E CB -0.054 29.652 29.700 0.010 0.000 0.748 12 E HN -0.408 7.978 8.360 0.044 0.000 0.449 13 I N -0.638 119.947 120.570 0.023 0.000 2.113 13 I HA -0.481 3.677 4.170 -0.021 0.000 0.238 13 I C 2.092 178.172 176.117 -0.062 0.000 1.070 13 I CA 4.064 65.367 61.300 0.005 0.000 1.332 13 I CB 0.135 38.191 38.000 0.093 0.000 1.044 13 I HN -0.683 7.558 8.210 0.051 0.000 0.402 14 L N -1.631 119.553 121.223 -0.065 0.000 2.042 14 L HA -0.495 3.664 4.340 -0.302 0.000 0.210 14 L C 2.340 179.120 176.870 -0.149 0.000 1.076 14 L CA 3.152 57.881 54.840 -0.185 0.000 0.749 14 L CB -0.489 41.495 42.059 -0.126 0.000 0.893 14 L HN 0.208 8.351 8.230 0.035 0.108 0.432 15 E N -0.547 119.608 120.200 -0.075 0.000 2.086 15 E HA -0.488 3.949 4.350 -0.065 -0.126 0.200 15 E C 2.451 178.996 176.600 -0.092 0.000 1.012 15 E CA 3.181 59.541 56.400 -0.066 0.000 0.812 15 E CB -0.432 29.248 29.700 -0.033 0.000 0.743 15 E HN 0.239 8.458 8.360 -0.035 0.121 0.453 16 E N -1.256 118.887 120.200 -0.094 0.000 2.085 16 E HA -0.271 4.023 4.350 -0.093 0.000 0.194 16 E C 1.291 177.803 176.600 -0.146 0.000 0.994 16 E CA 2.400 58.736 56.400 -0.107 0.000 0.801 16 E CB -0.379 29.259 29.700 -0.102 0.000 0.743 16 E HN -0.662 7.654 8.360 -0.079 -0.004 0.453 17 L N -0.975 120.140 121.223 -0.180 0.000 2.786 17 L HA -0.172 4.018 4.340 -0.251 0.000 0.250 17 L C -0.680 176.061 176.870 -0.214 0.000 1.151 17 L CA 0.105 54.806 54.840 -0.233 0.000 0.910 17 L CB -0.327 41.571 42.059 -0.269 0.000 1.082 17 L HN -0.096 7.931 8.230 -0.173 0.099 0.433 18 Q N -3.374 116.328 119.800 -0.163 0.000 2.470 18 Q HA -0.304 4.004 4.340 -0.102 -0.030 0.294 18 Q C -1.630 174.292 176.000 -0.130 0.000 1.356 18 Q CA 0.816 56.542 55.803 -0.128 0.000 0.805 18 Q CB -2.122 26.539 28.738 -0.128 0.000 1.157 18 Q HN -0.350 7.568 8.270 -0.147 0.264 0.431 19 L N -1.093 120.034 121.223 -0.159 0.000 2.563 19 L HA 0.266 4.541 4.340 -0.107 0.000 0.259 19 L C -1.550 175.265 176.870 -0.091 0.000 1.034 19 L CA -0.517 54.201 54.840 -0.203 0.000 0.899 19 L CB 1.894 43.622 42.059 -0.552 0.000 1.159 19 L HN -0.763 7.375 8.230 -0.153 0.000 0.456 20 N N 4.079 122.793 118.700 0.023 0.000 2.493 20 N HA 0.097 4.867 4.740 0.050 0.000 0.275 20 N C -0.802 174.821 175.510 0.188 0.000 1.186 20 N CA -0.130 52.965 53.050 0.075 0.000 0.978 20 N CB 1.332 39.848 38.487 0.047 0.000 1.184 20 N HN -0.152 8.245 8.380 0.027 0.000 0.487 21 T N -1.099 113.555 114.554 0.166 0.000 3.078 21 T HA 0.249 4.751 4.350 0.254 0.000 0.328 21 T C 0.172 174.963 174.700 0.153 0.000 0.987 21 T CA -1.796 60.429 62.100 0.208 0.000 1.049 21 T CB 0.652 69.617 68.868 0.162 0.000 1.011 21 T HN -0.051 8.256 8.240 0.112 0.000 0.463 22 K N 4.312 124.768 120.400 0.092 0.000 2.444 22 K HA -0.301 3.981 4.320 -0.062 0.000 0.200 22 K C 0.468 176.951 176.600 -0.195 0.000 1.045 22 K CA 1.994 58.223 56.287 -0.097 0.000 0.934 22 K CB -0.216 32.147 32.500 -0.228 0.000 0.756 22 K HN 0.290 8.614 8.250 0.123 0.000 0.477 23 F N -0.489 119.346 119.950 -0.191 0.000 2.494 23 F HA -0.051 4.377 4.527 -0.165 0.000 0.369 23 F C 0.101 175.824 175.800 -0.128 0.000 1.098 23 F CA -0.135 57.737 58.000 -0.214 0.000 1.154 23 F CB -0.482 38.258 39.000 -0.433 0.000 1.103 23 F HN -0.736 7.735 8.300 0.435 0.090 0.549 24 T N 5.687 120.258 114.554 0.028 0.000 2.788 24 T HA -0.180 4.185 4.350 0.026 0.000 0.333 24 T C 1.141 175.885 174.700 0.073 0.000 1.090 24 T CA 1.955 64.077 62.100 0.037 0.000 1.094 24 T CB 1.028 69.907 68.868 0.019 0.000 0.999 24 T HN 0.124 8.344 8.240 -0.034 0.000 0.549 25 E N 3.721 123.959 120.200 0.065 0.000 2.077 25 E HA -0.404 4.002 4.350 0.093 0.000 0.193 25 E C 2.231 178.890 176.600 0.098 0.000 0.989 25 E CA 3.485 59.933 56.400 0.080 0.000 0.800 25 E CB -0.381 29.355 29.700 0.060 0.000 0.746 25 E HN 0.495 8.884 8.360 0.049 0.000 0.452 26 E N 0.539 120.789 120.200 0.083 0.000 2.160 26 E HA -0.355 4.052 4.350 0.094 0.000 0.195 26 E C 2.167 178.845 176.600 0.130 0.000 0.991 26 E CA 3.287 59.743 56.400 0.094 0.000 0.810 26 E CB -0.626 29.115 29.700 0.069 0.000 0.742 26 E HN 0.323 8.722 8.360 0.065 0.000 0.466 27 E N -0.494 119.786 120.200 0.133 0.000 2.028 27 E HA -0.233 4.221 4.350 0.173 0.000 0.191 27 E C 1.910 178.669 176.600 0.265 0.000 0.988 27 E CA 2.375 58.883 56.400 0.180 0.000 0.799 27 E CB -0.906 28.893 29.700 0.165 0.000 0.755 27 E HN 0.046 8.357 8.360 0.106 0.113 0.447 28 L N -1.344 120.025 121.223 0.244 0.000 2.127 28 L HA -0.433 4.181 4.340 0.457 0.000 0.211 28 L C 2.276 179.433 176.870 0.479 0.000 1.089 28 L CA 3.145 58.209 54.840 0.373 0.000 0.757 28 L CB -0.476 41.742 42.059 0.264 0.000 0.899 28 L HN -0.382 7.955 8.230 0.179 0.000 0.434 29 S N -0.328 115.558 115.700 0.310 0.000 2.356 29 S HA -0.471 4.174 4.470 0.292 0.000 0.223 29 S C 1.715 176.500 174.600 0.308 0.000 1.032 29 S CA 4.160 62.528 58.200 0.279 0.000 1.005 29 S CB -0.473 62.829 63.200 0.170 0.000 0.867 29 S HN 0.096 8.449 8.310 0.235 0.097 0.449 30 S N 1.626 117.487 115.700 0.269 0.000 2.402 30 S HA -0.243 4.332 4.470 0.176 0.000 0.229 30 S C 1.952 176.712 174.600 0.266 0.000 1.021 30 S CA 3.120 61.456 58.200 0.226 0.000 0.974 30 S CB -0.065 63.250 63.200 0.192 0.000 0.800 30 S HN -0.626 7.834 8.310 0.249 0.000 0.484 31 W N 3.249 124.664 121.300 0.193 0.000 2.453 31 W HA -0.313 4.430 4.660 0.138 0.000 0.289 31 W C 0.929 177.592 176.519 0.240 0.000 1.215 31 W CA 3.702 61.158 57.345 0.185 0.000 1.297 31 W CB 0.190 29.766 29.460 0.194 0.000 1.113 31 W HN 0.070 8.466 8.180 0.526 0.100 0.551 32 Y N -0.201 120.259 120.300 0.268 0.000 2.145 32 Y HA -0.638 3.737 4.550 -0.292 0.000 0.286 32 Y C 2.200 178.069 175.900 -0.051 0.000 1.145 32 Y CA 4.329 62.468 58.100 0.064 0.000 1.148 32 Y CB 0.187 38.865 38.460 0.363 0.000 0.981 32 Y HN 0.706 9.315 8.280 0.762 0.129 0.507 33 Q N -3.034 116.852 119.800 0.143 0.000 2.079 33 Q HA -0.371 3.934 4.340 -0.059 0.000 0.200 33 Q C 2.358 178.279 176.000 -0.133 0.000 0.974 33 Q CA 2.827 58.634 55.803 0.008 0.000 0.840 33 Q CB -0.539 28.275 28.738 0.126 0.000 0.898 33 Q HN -0.088 8.386 8.270 0.340 0.000 0.430 34 S N -1.937 113.694 115.700 -0.116 0.000 2.561 34 S HA -0.136 4.272 4.470 -0.103 0.000 0.225 34 S C 1.564 176.021 174.600 -0.237 0.000 0.977 34 S CA 1.816 59.934 58.200 -0.136 0.000 0.926 34 S CB -0.457 62.708 63.200 -0.059 0.000 0.769 34 S HN -0.526 7.755 8.310 -0.048 0.000 0.533 35 F N 3.646 123.202 119.950 -0.655 0.000 2.446 35 F HA 0.060 4.207 4.527 -0.634 0.000 0.292 35 F C 0.391 175.853 175.800 -0.564 0.000 1.096 35 F CA 1.673 59.193 58.000 -0.799 0.000 1.438 35 F CB 0.397 38.486 39.000 -1.519 0.000 1.107 35 F HN -0.595 7.243 8.300 -0.437 0.200 0.546 36 L N -0.948 119.868 121.223 -0.678 0.000 2.341 36 L HA -0.201 3.653 4.340 -0.811 0.000 0.214 36 L C 0.967 177.612 176.870 -0.374 0.000 1.115 36 L CA 1.619 56.084 54.840 -0.624 0.000 0.820 36 L CB -0.660 41.085 42.059 -0.525 0.000 0.944 36 L HN -0.479 7.413 8.230 -0.564 0.000 0.452 37 K N -2.401 117.832 120.400 -0.278 0.000 2.076 37 K HA -0.224 4.006 4.320 -0.150 0.000 0.204 37 K C 1.917 178.422 176.600 -0.160 0.000 1.051 37 K CA 1.883 58.067 56.287 -0.171 0.000 0.949 37 K CB -0.076 32.355 32.500 -0.114 0.000 0.726 37 K HN -0.510 7.440 8.250 -0.289 0.127 0.443 38 E N -1.994 118.104 120.200 -0.170 0.000 2.110 38 E HA -0.216 4.081 4.350 -0.088 0.000 0.193 38 E C 0.523 177.034 176.600 -0.148 0.000 0.988 38 E CA 1.874 58.200 56.400 -0.123 0.000 0.804 38 E CB 0.462 30.110 29.700 -0.085 0.000 0.745 38 E HN -0.580 7.664 8.360 -0.194 0.000 0.458 39 C N -1.130 118.021 119.300 -0.249 0.000 2.335 39 C HA 0.308 4.671 4.460 -0.161 0.000 0.363 39 C C -2.251 172.610 174.990 -0.214 0.000 1.198 39 C CA -2.587 56.285 59.018 -0.245 0.000 2.279 39 C CB 1.691 29.191 27.740 -0.399 0.000 2.334 39 C HN -0.656 7.359 8.230 -0.345 0.007 0.559 40 P HA -0.042 4.319 4.420 -0.099 0.000 0.257 40 P C -0.433 176.790 177.300 -0.128 0.000 1.227 40 P CA 1.026 64.058 63.100 -0.114 0.000 0.981 40 P CB -1.215 30.438 31.700 -0.077 0.000 1.044 41 S N 3.616 119.237 115.700 -0.132 0.000 1.637 41 S HA -0.422 3.985 4.470 -0.105 0.000 0.232 41 S C -0.189 174.301 174.600 -0.184 0.000 0.808 41 S CA 2.214 60.342 58.200 -0.119 0.000 1.437 41 S CB -0.356 62.804 63.200 -0.066 0.000 1.838 41 S HN 0.456 8.691 8.310 -0.126 0.000 0.525 42 G N -1.124 107.554 108.800 -0.203 0.000 4.398 42 G HA2 -0.052 3.570 3.960 -0.563 0.000 0.224 42 G HA3 -0.052 3.795 3.960 -0.187 0.000 0.224 42 G C -1.988 172.819 174.900 -0.155 0.000 0.991 42 G CA -0.055 44.872 45.100 -0.288 0.000 1.262 42 G HN 0.385 8.490 8.290 -0.159 0.090 0.704 43 R N 2.130 122.551 120.500 -0.131 0.000 2.210 43 R HA 0.432 4.976 4.340 0.022 -0.191 0.338 43 R C -0.920 175.358 176.300 -0.037 0.000 1.062 43 R CA -0.811 55.266 56.100 -0.038 0.000 0.902 43 R CB 0.145 30.429 30.300 -0.026 0.000 1.050 43 R HN -0.464 7.711 8.270 -0.158 0.000 0.461 44 I N 1.777 122.380 120.570 0.054 0.000 2.957 44 I HA 0.503 4.712 4.170 0.065 0.000 0.310 44 I C -2.450 173.772 176.117 0.176 0.000 1.063 44 I CA -2.826 58.546 61.300 0.119 0.000 1.033 44 I CB 3.694 41.843 38.000 0.248 0.000 1.230 44 I HN -0.122 8.152 8.210 0.107 0.000 0.447 45 T N -1.736 112.919 114.554 0.169 0.000 2.923 45 T HA 0.365 4.846 4.350 0.218 0.000 0.281 45 T C 0.706 175.535 174.700 0.215 0.000 0.995 45 T CA -2.033 60.180 62.100 0.189 0.000 0.985 45 T CB 2.401 71.339 68.868 0.118 0.000 1.114 45 T HN -0.073 8.254 8.240 0.144 0.000 0.548 46 R N 2.047 122.680 120.500 0.222 0.000 2.080 46 R HA -0.455 3.760 4.340 -0.208 0.000 0.236 46 R C 2.087 178.399 176.300 0.020 0.000 1.137 46 R CA 4.792 60.918 56.100 0.043 0.000 0.943 46 R CB -0.235 30.116 30.300 0.085 0.000 0.846 46 R HN 0.797 9.221 8.270 0.258 0.000 0.431 47 Q N -3.654 116.171 119.800 0.041 0.000 2.217 47 Q HA -0.319 4.017 4.340 -0.006 0.000 0.209 47 Q C 2.618 178.614 176.000 -0.005 0.000 0.988 47 Q CA 2.874 58.684 55.803 0.012 0.000 0.878 47 Q CB -1.373 27.378 28.738 0.022 0.000 0.909 47 Q HN 0.346 8.656 8.270 0.066 0.000 0.424 48 E N -0.888 119.331 120.200 0.031 0.000 2.075 48 E HA -0.100 4.233 4.350 -0.028 0.000 0.190 48 E C 1.867 178.451 176.600 -0.027 0.000 0.969 48 E CA 1.605 58.014 56.400 0.015 0.000 0.815 48 E CB 0.154 29.911 29.700 0.096 0.000 0.776 48 E HN -0.795 7.452 8.360 0.070 0.155 0.457 49 F N 2.216 122.099 119.950 -0.111 0.000 2.065 49 F HA -0.484 3.979 4.527 -0.107 0.000 0.298 49 F C 1.640 177.335 175.800 -0.175 0.000 1.112 49 F CA 3.566 61.456 58.000 -0.182 0.000 1.212 49 F CB 0.159 38.899 39.000 -0.433 0.000 0.975 49 F HN 0.600 8.830 8.300 0.178 0.177 0.476 50 Q N -1.653 117.962 119.800 -0.308 0.000 2.062 50 Q HA -0.529 3.609 4.340 -0.336 0.000 0.209 50 Q C 2.168 177.968 176.000 -0.333 0.000 0.996 50 Q CA 4.232 59.851 55.803 -0.307 0.000 0.859 50 Q CB -0.458 28.201 28.738 -0.132 0.000 0.920 50 Q HN 0.465 8.686 8.270 -0.082 0.000 0.415 51 T N 2.104 116.500 114.554 -0.264 0.000 2.607 51 T HA -0.390 3.834 4.350 -0.210 0.000 0.267 51 T C 2.129 176.599 174.700 -0.383 0.000 1.049 51 T CA 4.867 66.813 62.100 -0.257 0.000 1.162 51 T CB -0.230 68.520 68.868 -0.197 0.000 0.863 51 T HN -0.703 7.415 8.240 -0.203 0.000 0.424 52 I N 0.952 121.215 120.570 -0.512 0.000 2.264 52 I HA -0.548 3.069 4.170 -0.922 0.000 0.248 52 I C 1.715 177.364 176.117 -0.780 0.000 1.111 52 I CA 4.284 65.098 61.300 -0.809 0.000 1.382 52 I CB -0.255 37.257 38.000 -0.813 0.000 1.060 52 I HN -0.453 7.491 8.210 -0.443 0.000 0.418 53 Y N 0.304 120.083 120.300 -0.869 0.000 2.114 53 Y HA -0.476 3.710 4.550 -0.607 0.000 0.284 53 Y C 1.990 177.651 175.900 -0.397 0.000 1.143 53 Y CA 0.963 58.652 58.100 -0.684 0.000 1.135 53 Y CB -0.453 37.485 38.460 -0.869 0.000 0.980 53 Y HN 0.502 8.138 8.280 -0.736 0.202 0.499 54 S N -1.568 113.968 115.700 -0.273 0.000 2.453 54 S HA -0.273 4.040 4.470 -0.261 0.000 0.231 54 S C 1.938 176.440 174.600 -0.164 0.000 1.005 54 S CA 2.475 60.532 58.200 -0.239 0.000 0.949 54 S CB -0.365 62.706 63.200 -0.216 0.000 0.774 54 S HN 0.599 8.609 8.310 -0.301 0.120 0.510 55 K N 0.057 120.327 120.400 -0.218 0.000 2.243 55 K HA -0.151 4.134 4.320 -0.060 0.000 0.201 55 K C 1.151 177.724 176.600 -0.045 0.000 1.051 55 K CA 2.407 58.615 56.287 -0.131 0.000 0.970 55 K CB 0.356 32.723 32.500 -0.221 0.000 0.755 55 K HN -0.061 7.770 8.250 -0.313 0.232 0.465 56 F N -3.730 115.820 119.950 -0.666 0.000 2.383 56 F HA -0.066 3.949 4.527 -0.854 0.000 0.287 56 F C -0.938 174.477 175.800 -0.641 0.000 1.069 56 F CA 0.157 57.574 58.000 -0.972 0.000 1.402 56 F CB 2.208 40.220 39.000 -1.646 0.000 1.116 56 F HN -0.476 7.500 8.300 -0.328 0.127 0.549 57 F N -4.449 115.637 119.950 0.227 0.000 2.453 57 F HA 0.608 5.217 4.527 0.136 0.000 0.358 57 F C -1.595 174.227 175.800 0.037 0.000 1.129 57 F CA -4.365 53.738 58.000 0.171 0.000 1.200 57 F CB -0.962 38.236 39.000 0.330 0.000 1.431 57 F HN -0.015 7.987 8.300 -0.316 0.109 0.503 58 P HA -0.118 4.282 4.420 -0.032 0.000 0.202 58 P C -0.119 177.198 177.300 0.028 0.000 1.189 58 P CA 0.572 63.692 63.100 0.033 0.000 0.921 58 P CB 0.489 32.212 31.700 0.038 0.000 0.756 59 E N -0.235 119.995 120.200 0.050 0.000 2.026 59 E HA -0.258 4.100 4.350 0.014 0.000 0.249 59 E C -0.749 175.884 176.600 0.054 0.000 1.273 59 E CA 1.017 57.438 56.400 0.036 0.000 0.991 59 E CB -1.997 27.723 29.700 0.034 0.000 1.076 59 E HN 0.244 8.642 8.360 0.062 0.000 0.438 60 A N 0.977 123.817 122.820 0.034 0.000 2.367 60 A HA 0.057 4.419 4.320 0.070 0.000 0.205 60 A C -1.832 175.774 177.584 0.037 0.000 2.285 60 A CA -0.193 51.886 52.037 0.069 0.000 1.302 60 A CB 1.693 20.794 19.000 0.167 0.000 0.846 60 A HN 0.344 8.488 8.150 -0.002 0.005 0.470 61 D N -1.162 119.222 120.400 -0.027 0.000 4.028 61 D HA -0.226 4.378 4.640 -0.060 0.000 0.233 61 D C -1.702 174.539 176.300 -0.098 0.000 1.080 61 D CA 0.609 54.586 54.000 -0.039 0.000 1.181 61 D CB -0.875 39.946 40.800 0.034 0.000 0.815 61 D HN -0.359 7.992 8.370 -0.032 0.000 0.401 62 P HA -0.111 3.667 4.420 -1.069 0.000 0.299 62 P C -1.673 175.633 177.300 0.011 0.000 1.515 62 P CA 0.346 63.153 63.100 -0.489 0.000 0.770 62 P CB -1.074 30.291 31.700 -0.559 0.000 1.614 63 K N -4.658 115.796 120.400 0.090 0.000 2.665 63 K HA 0.111 4.550 4.320 0.198 0.000 0.194 63 K C -1.183 175.530 176.600 0.187 0.000 1.135 63 K CA -1.022 55.355 56.287 0.151 0.000 1.089 63 K CB 1.329 33.881 32.500 0.087 0.000 0.817 63 K HN 0.125 8.208 8.250 0.058 0.202 0.506 64 A N -0.316 122.650 122.820 0.243 0.000 3.078 64 A HA 0.254 4.700 4.320 0.211 0.000 0.206 64 A C -0.521 177.271 177.584 0.348 0.000 1.967 64 A CA 0.184 52.376 52.037 0.259 0.000 1.845 64 A CB 0.414 19.554 19.000 0.234 0.000 1.345 64 A HN -0.089 8.164 8.150 0.277 0.064 0.393 65 Y N 2.187 122.642 120.300 0.258 0.000 2.337 65 Y HA -0.399 4.290 4.550 0.231 0.000 0.247 65 Y C 1.997 178.093 175.900 0.328 0.000 1.036 65 Y CA 3.203 61.457 58.100 0.257 0.000 1.041 65 Y CB -0.451 38.119 38.460 0.184 0.000 1.021 65 Y HN 0.094 8.647 8.280 0.455 0.000 0.473 66 A N -2.740 120.102 122.820 0.037 0.000 1.923 66 A HA -0.558 3.526 4.320 -0.393 0.000 0.222 66 A C 2.108 179.776 177.584 0.141 0.000 1.258 66 A CA 3.398 55.378 52.037 -0.094 0.000 0.670 66 A CB -1.418 17.452 19.000 -0.217 0.000 0.834 66 A HN 0.451 8.910 8.150 0.515 0.000 0.470 67 Q N -1.658 118.418 119.800 0.460 0.000 2.096 67 Q HA -0.387 4.260 4.340 0.511 0.000 0.208 67 Q C 1.983 178.161 176.000 0.297 0.000 0.993 67 Q CA 2.753 58.834 55.803 0.463 0.000 0.862 67 Q CB -0.547 28.467 28.738 0.461 0.000 0.915 67 Q HN -0.029 8.663 8.270 0.702 -0.001 0.416 68 H N -0.176 118.983 119.070 0.149 0.000 2.387 68 H HA -0.283 4.341 4.556 0.115 0.000 0.299 68 H C 2.258 177.598 175.328 0.019 0.000 1.090 68 H CA 3.188 59.285 56.048 0.081 0.000 1.332 68 H CB -0.238 29.557 29.762 0.055 0.000 1.386 68 H HN -0.202 8.206 8.280 0.330 0.069 0.516 69 V N -0.157 119.658 119.914 -0.166 0.000 2.270 69 V HA -0.559 3.374 4.120 -0.311 0.000 0.245 69 V C 1.255 177.310 176.094 -0.066 0.000 1.043 69 V CA 4.733 66.900 62.300 -0.221 0.000 1.014 69 V CB -0.014 31.631 31.823 -0.298 0.000 0.645 69 V HN -0.470 7.541 8.190 -0.107 0.115 0.447 70 F N 0.171 120.053 119.950 -0.114 0.000 2.161 70 F HA -0.439 4.023 4.527 -0.107 0.000 0.300 70 F C 1.149 176.826 175.800 -0.205 0.000 1.089 70 F CA 2.998 60.833 58.000 -0.274 0.000 1.282 70 F CB 0.042 38.450 39.000 -0.986 0.000 1.010 70 F HN 0.236 8.538 8.300 0.179 0.106 0.485 71 R N -3.155 117.357 120.500 0.020 0.000 2.236 71 R HA -0.264 3.915 4.340 -0.269 0.000 0.208 71 R C 0.532 176.715 176.300 -0.194 0.000 1.036 71 R CA 1.623 57.672 56.100 -0.084 0.000 1.001 71 R CB -0.066 30.311 30.300 0.127 0.000 0.896 71 R HN -0.375 7.993 8.270 0.191 0.016 0.464 72 S N -1.490 114.070 115.700 -0.234 0.000 2.425 72 S HA -0.156 4.188 4.470 -0.210 0.000 0.225 72 S C 1.465 176.006 174.600 -0.098 0.000 1.024 72 S CA 2.751 60.820 58.200 -0.220 0.000 0.951 72 S CB 0.604 63.604 63.200 -0.333 0.000 0.796 72 S HN -0.299 7.681 8.310 -0.239 0.187 0.498 73 F N 0.239 120.020 119.950 -0.280 0.000 2.147 73 F HA -0.405 4.008 4.527 -0.190 0.000 0.301 73 F C -0.096 175.571 175.800 -0.222 0.000 1.084 73 F CA 3.264 61.127 58.000 -0.229 0.000 1.268 73 F CB 0.316 39.183 39.000 -0.222 0.000 1.009 73 F HN -0.332 7.998 8.300 0.049 0.000 0.486 74 D N -7.352 112.977 120.400 -0.119 0.000 2.153 74 D HA -0.096 4.462 4.640 -0.136 0.000 0.043 74 D C -1.178 175.028 176.300 -0.156 0.000 1.465 74 D CA 0.541 54.455 54.000 -0.143 0.000 0.524 74 D CB -0.408 40.311 40.800 -0.135 0.000 3.276 74 D HN -0.831 7.431 8.370 -0.157 0.014 0.192 75 A N 1.331 124.046 122.820 -0.175 0.000 2.312 75 A HA -0.442 3.811 4.320 -0.113 0.000 0.286 75 A C -0.131 177.413 177.584 -0.066 0.000 1.425 75 A CA 0.378 52.324 52.037 -0.151 0.000 0.748 75 A CB -1.134 17.694 19.000 -0.286 0.000 1.126 75 A HN 0.230 8.285 8.150 -0.159 0.000 0.368 76 N N -0.368 118.301 118.700 -0.051 0.000 2.057 76 N HA -0.358 4.364 4.740 -0.031 0.000 0.184 76 N C 1.324 176.831 175.510 -0.005 0.000 1.093 76 N CA 2.284 55.317 53.050 -0.029 0.000 0.902 76 N CB 0.101 38.570 38.487 -0.030 0.000 1.040 76 N HN 0.198 8.543 8.380 -0.059 0.000 0.435 77 S N 0.270 115.969 115.700 -0.001 0.000 4.069 77 S HA -0.014 4.465 4.470 0.016 0.000 0.192 77 S C -0.684 173.930 174.600 0.023 0.000 1.441 77 S CA 0.855 59.062 58.200 0.011 0.000 0.994 77 S CB -1.602 61.602 63.200 0.007 0.000 1.456 77 S HN 0.024 8.329 8.310 -0.008 0.000 0.458 78 D N 1.137 121.559 120.400 0.037 0.000 4.493 78 D HA -0.486 4.211 4.640 0.095 0.000 0.184 78 D C 1.058 177.389 176.300 0.053 0.000 0.799 78 D CA 2.209 56.247 54.000 0.063 0.000 1.795 78 D CB -1.406 39.428 40.800 0.057 0.000 1.062 78 D HN 0.265 8.577 8.370 0.034 0.079 0.445 79 G N 1.075 109.898 108.800 0.038 0.000 2.564 79 G HA2 -0.408 3.568 3.960 0.026 0.000 0.309 79 G HA3 -0.408 3.561 3.960 0.015 0.000 0.309 79 G C -1.650 173.278 174.900 0.047 0.000 1.320 79 G CA 0.595 45.712 45.100 0.029 0.000 0.941 79 G HN -0.113 8.180 8.290 0.035 0.018 0.543 80 T N -1.791 112.782 114.554 0.032 0.000 2.896 80 T HA 0.345 4.825 4.350 0.085 -0.079 0.297 80 T C -1.044 173.672 174.700 0.026 0.000 1.108 80 T CA -1.116 61.013 62.100 0.049 0.000 1.004 80 T CB 3.402 72.297 68.868 0.045 0.000 1.159 80 T HN -0.184 8.067 8.240 0.017 0.000 0.499 81 L N -2.554 118.692 121.223 0.038 0.000 2.350 81 L HA 0.577 4.947 4.340 0.050 0.000 0.260 81 L C -1.603 175.326 176.870 0.099 0.000 1.015 81 L CA -2.517 52.350 54.840 0.046 0.000 0.821 81 L CB 2.673 44.720 42.059 -0.019 0.000 1.370 81 L HN 0.020 8.295 8.230 0.074 0.000 0.416 82 D N -1.943 118.543 120.400 0.145 0.000 2.472 82 D HA -0.240 4.591 4.640 0.118 -0.119 0.237 82 D C -0.194 176.230 176.300 0.208 0.000 1.141 82 D CA 0.811 54.908 54.000 0.163 0.000 0.875 82 D CB 0.338 41.252 40.800 0.190 0.000 1.192 82 D HN 0.084 8.553 8.370 0.165 0.000 0.450 83 F N 3.836 123.832 119.950 0.078 0.000 2.387 83 F HA -0.094 4.555 4.527 0.204 0.000 0.294 83 F C 0.555 176.526 175.800 0.285 0.000 1.093 83 F CA 2.691 60.804 58.000 0.189 0.000 1.420 83 F CB 1.385 40.480 39.000 0.158 0.000 1.086 83 F HN 0.297 8.657 8.300 0.256 0.093 0.531 84 K N 0.210 120.734 120.400 0.206 0.000 1.973 84 K HA -0.371 4.091 4.320 0.236 0.000 0.212 84 K C 2.091 178.737 176.600 0.077 0.000 1.047 84 K CA 4.132 60.524 56.287 0.175 0.000 0.937 84 K CB -0.964 31.666 32.500 0.217 0.000 0.721 84 K HN 0.095 8.494 8.250 0.249 0.000 0.440 85 Q N -2.958 116.931 119.800 0.147 0.000 2.197 85 Q HA -0.306 4.164 4.340 0.216 0.000 0.207 85 Q C 2.281 178.295 176.000 0.024 0.000 0.984 85 Q CA 3.187 59.131 55.803 0.235 0.000 0.869 85 Q CB -0.467 28.540 28.738 0.448 0.000 0.906 85 Q HN 0.401 8.777 8.270 0.177 0.000 0.426 86 Y N 0.579 120.636 120.300 -0.405 0.000 2.133 86 Y HA -0.426 3.005 4.550 -1.865 0.000 0.287 86 Y C 1.482 177.107 175.900 -0.459 0.000 1.134 86 Y CA 3.297 60.854 58.100 -0.904 0.000 1.133 86 Y CB -0.266 37.780 38.460 -0.690 0.000 0.987 86 Y HN -0.914 7.259 8.280 -0.010 0.101 0.502 87 V N -0.091 119.517 119.914 -0.510 0.000 2.317 87 V HA -0.594 3.241 4.120 -0.474 0.000 0.251 87 V C 2.253 178.214 176.094 -0.222 0.000 1.065 87 V CA 4.959 67.020 62.300 -0.400 0.000 1.049 87 V CB -0.534 31.140 31.823 -0.247 0.000 0.651 87 V HN 0.285 8.177 8.190 -0.304 0.115 0.450 88 I N -0.925 119.541 120.570 -0.172 0.000 2.208 88 I HA -0.496 3.611 4.170 -0.104 0.000 0.245 88 I C 1.579 177.691 176.117 -0.009 0.000 1.097 88 I CA 4.441 65.700 61.300 -0.068 0.000 1.363 88 I CB -0.635 37.375 38.000 0.017 0.000 1.051 88 I HN 0.037 8.149 8.210 -0.154 0.005 0.413 89 A N -1.243 121.580 122.820 0.005 0.000 2.019 89 A HA -0.230 4.453 4.320 0.605 0.000 0.219 89 A C 1.547 179.163 177.584 0.052 0.000 1.164 89 A CA 2.594 54.774 52.037 0.239 0.000 0.644 89 A CB -0.583 18.522 19.000 0.175 0.000 0.805 89 A HN -0.637 7.344 8.150 -0.125 0.094 0.449 90 L N -4.377 116.724 121.223 -0.203 0.000 2.179 90 L HA -0.160 4.138 4.340 -0.069 0.000 0.208 90 L C 2.063 178.916 176.870 -0.029 0.000 1.096 90 L CA 2.209 56.967 54.840 -0.136 0.000 0.779 90 L CB -0.103 41.783 42.059 -0.288 0.000 0.922 90 L HN -0.398 7.456 8.230 -0.371 0.153 0.443 91 H N -3.509 115.512 119.070 -0.082 0.000 2.451 91 H HA 0.036 4.568 4.556 -0.040 0.000 0.294 91 H C 1.984 177.257 175.328 -0.092 0.000 1.028 91 H CA 1.960 57.969 56.048 -0.066 0.000 1.349 91 H CB 0.819 30.534 29.762 -0.078 0.000 1.444 91 H HN -0.229 8.104 8.280 0.255 0.101 0.538 92 M N 1.890 121.469 119.600 -0.036 0.000 3.224 92 M HA -0.171 4.177 4.480 -0.220 0.000 0.188 92 M C -0.956 175.281 176.300 -0.105 0.000 1.319 92 M CA 0.092 55.234 55.300 -0.263 0.000 1.355 92 M CB -1.104 31.029 32.600 -0.778 0.000 1.588 92 M HN 0.470 8.628 8.290 -0.009 0.127 0.426 93 T N -6.742 107.831 114.554 0.032 0.000 3.130 93 T HA 0.291 4.832 4.350 0.318 0.000 0.288 93 T C -0.636 173.956 174.700 -0.181 0.000 0.936 93 T CA -0.233 61.941 62.100 0.122 0.000 0.897 93 T CB 2.357 71.434 68.868 0.349 0.000 1.178 93 T HN 0.269 8.353 8.240 -0.008 0.151 0.543 94 S N 1.285 116.901 115.700 -0.140 0.000 2.702 94 S HA 0.168 4.498 4.470 -0.233 0.000 0.257 94 S C -0.562 173.969 174.600 -0.115 0.000 0.981 94 S CA 0.324 58.418 58.200 -0.176 0.000 1.414 94 S CB 1.142 64.230 63.200 -0.187 0.000 1.239 94 S HN -0.454 7.804 8.310 -0.087 0.000 0.676 95 A N 1.950 124.720 122.820 -0.083 0.000 3.720 95 A HA 0.156 4.445 4.320 -0.051 0.000 0.157 95 A C 0.075 177.625 177.584 -0.056 0.000 1.736 95 A CA 0.671 52.674 52.037 -0.057 0.000 1.289 95 A CB 0.637 19.612 19.000 -0.042 0.000 1.598 95 A HN -0.865 7.237 8.150 -0.081 0.000 0.692 96 G N -4.445 104.326 108.800 -0.049 0.000 3.584 96 G HA2 -0.093 3.847 3.960 -0.034 0.000 0.223 96 G HA3 -0.093 3.847 3.960 -0.033 0.000 0.223 96 G C -0.137 174.745 174.900 -0.030 0.000 0.932 96 G CA -0.113 44.965 45.100 -0.037 0.000 1.111 96 G HN 0.181 8.440 8.290 -0.051 0.000 0.689 97 K N -0.592 119.786 120.400 -0.037 0.000 2.017 97 K HA 0.051 4.357 4.320 -0.023 0.000 0.207 97 K C 0.532 177.116 176.600 -0.027 0.000 1.035 97 K CA 0.415 56.684 56.287 -0.030 0.000 0.947 97 K CB 0.266 32.745 32.500 -0.034 0.000 0.749 97 K HN -0.354 7.867 8.250 -0.048 0.000 0.443 98 T N -0.936 113.594 114.554 -0.039 0.000 2.856 98 T HA -0.036 4.303 4.350 -0.019 0.000 0.306 98 T C 0.771 175.462 174.700 -0.016 0.000 1.062 98 T CA -0.598 61.484 62.100 -0.030 0.000 1.083 98 T CB 1.520 70.359 68.868 -0.048 0.000 0.984 98 T HN -0.248 7.960 8.240 -0.055 0.000 0.542 99 N N 1.660 120.361 118.700 0.000 0.000 2.085 99 N HA -0.166 4.582 4.740 0.014 0.000 0.191 99 N C 0.496 176.026 175.510 0.033 0.000 1.058 99 N CA 1.260 54.320 53.050 0.016 0.000 0.849 99 N CB 0.279 38.779 38.487 0.021 0.000 1.038 99 N HN 0.052 8.433 8.380 0.002 0.000 0.434 100 Q N -0.534 119.293 119.800 0.045 0.000 2.348 100 Q HA -0.114 4.285 4.340 0.100 0.000 0.331 100 Q C -0.440 175.614 176.000 0.089 0.000 1.099 100 Q CA 1.354 57.207 55.803 0.085 0.000 1.021 100 Q CB 0.252 29.050 28.738 0.100 0.000 1.166 100 Q HN 0.263 8.555 8.270 0.038 0.000 0.393 101 K N 0.996 121.496 120.400 0.166 0.000 2.255 101 K HA -0.100 4.328 4.320 0.180 0.000 0.161 101 K C -0.947 175.872 176.600 0.365 0.000 1.937 101 K CA 0.679 57.093 56.287 0.212 0.000 1.030 101 K CB 0.570 33.143 32.500 0.122 0.000 1.857 101 K HN 0.286 8.647 8.250 0.186 0.000 0.500 102 L N 1.144 122.555 121.223 0.314 0.000 2.004 102 L HA -0.020 4.560 4.340 0.399 0.000 0.205 102 L C 1.377 178.536 176.870 0.481 0.000 1.089 102 L CA 2.655 57.712 54.840 0.362 0.000 0.756 102 L CB -0.827 41.369 42.059 0.229 0.000 0.900 102 L HN 0.129 8.503 8.230 0.241 0.000 0.440 103 E N -2.899 117.522 120.200 0.368 0.000 2.463 103 E HA -0.298 4.300 4.350 0.414 0.000 0.201 103 E C 0.464 177.221 176.600 0.262 0.000 1.045 103 E CA 1.968 58.556 56.400 0.313 0.000 0.872 103 E CB -1.086 28.716 29.700 0.170 0.000 0.797 103 E HN 0.345 8.875 8.360 0.283 0.000 0.538 104 W N -1.089 120.311 121.300 0.166 0.000 2.518 104 W HA -0.197 4.516 4.660 0.088 0.000 0.273 104 W C 1.312 177.905 176.519 0.123 0.000 1.247 104 W CA 1.877 59.297 57.345 0.125 0.000 1.288 104 W CB 0.240 29.777 29.460 0.127 0.000 1.107 104 W HN -0.516 7.891 8.180 0.508 0.078 0.586 105 A N 1.248 124.333 122.820 0.442 0.000 1.902 105 A HA -0.358 4.060 4.320 0.164 0.000 0.217 105 A C 1.227 178.694 177.584 -0.195 0.000 1.181 105 A CA 2.682 54.806 52.037 0.146 0.000 0.623 105 A CB -1.178 17.973 19.000 0.252 0.000 0.818 105 A HN -0.326 8.059 8.150 0.595 0.122 0.443 106 F N -1.740 117.960 119.950 -0.418 0.000 2.257 106 F HA -0.495 3.588 4.527 -0.740 0.000 0.302 106 F C 0.883 176.438 175.800 -0.408 0.000 1.056 106 F CA 2.415 60.060 58.000 -0.591 0.000 1.353 106 F CB -0.084 38.557 39.000 -0.597 0.000 1.064 106 F HN -0.178 8.102 8.300 -0.033 0.000 0.520 107 S N 0.011 115.519 115.700 -0.319 0.000 2.344 107 S HA -0.320 4.009 4.470 -0.235 0.000 0.217 107 S C 2.038 176.430 174.600 -0.347 0.000 1.033 107 S CA 3.343 61.303 58.200 -0.400 0.000 1.017 107 S CB -0.065 62.678 63.200 -0.761 0.000 0.941 107 S HN -0.499 7.366 8.310 -0.433 0.185 0.430 108 L N -0.062 120.941 121.223 -0.366 0.000 2.291 108 L HA -0.098 4.120 4.340 -0.204 0.000 0.214 108 L C 0.665 177.423 176.870 -0.187 0.000 1.120 108 L CA 1.394 56.100 54.840 -0.224 0.000 0.799 108 L CB -1.685 40.297 42.059 -0.128 0.000 0.925 108 L HN -0.653 7.274 8.230 -0.506 0.000 0.446 109 Y N -1.555 118.529 120.300 -0.360 0.000 2.373 109 Y HA -0.252 4.171 4.550 -0.212 0.000 0.293 109 Y C 0.717 176.338 175.900 -0.466 0.000 1.129 109 Y CA 1.587 59.445 58.100 -0.404 0.000 1.226 109 Y CB 0.377 38.444 38.460 -0.654 0.000 1.000 109 Y HN -0.289 7.718 8.280 -0.258 0.118 0.549 110 D N -0.640 119.546 120.400 -0.355 0.000 2.638 110 D HA 0.148 4.843 4.640 -0.309 -0.241 0.245 110 D C 0.192 176.393 176.300 -0.165 0.000 1.176 110 D CA -2.999 50.804 54.000 -0.329 0.000 0.996 110 D CB -1.510 39.068 40.800 -0.371 0.000 1.012 110 D HN -0.555 7.453 8.370 -0.367 0.142 0.515 111 V N 1.938 121.790 119.914 -0.103 0.000 2.226 111 V HA -0.538 3.507 4.120 -0.125 0.000 0.254 111 V C 1.242 177.285 176.094 -0.085 0.000 1.065 111 V CA 3.761 66.010 62.300 -0.084 0.000 1.039 111 V CB -0.303 31.514 31.823 -0.010 0.000 0.653 111 V HN -0.503 7.600 8.190 -0.067 0.047 0.450 112 D N -3.288 117.073 120.400 -0.064 0.000 2.104 112 D HA -0.288 4.322 4.640 -0.051 0.000 0.194 112 D C 0.697 176.959 176.300 -0.064 0.000 0.994 112 D CA 1.209 55.176 54.000 -0.054 0.000 0.830 112 D CB 0.168 40.945 40.800 -0.038 0.000 0.959 112 D HN -0.129 8.207 8.370 -0.057 0.000 0.452 113 G N -0.191 108.573 108.800 -0.060 0.000 2.963 113 G HA2 -0.266 3.805 3.960 -0.029 0.000 0.262 113 G HA3 -0.266 3.647 3.960 -0.078 0.000 0.262 113 G C -0.897 173.995 174.900 -0.015 0.000 1.043 113 G CA -0.079 44.993 45.100 -0.047 0.000 1.223 113 G HN 0.006 8.691 8.290 -0.064 -0.434 0.574 114 N N 0.950 119.673 118.700 0.037 0.000 2.361 114 N HA 0.057 4.794 4.740 -0.004 0.000 0.253 114 N C 0.583 176.129 175.510 0.060 0.000 1.413 114 N CA -1.208 51.858 53.050 0.026 0.000 0.821 114 N CB 0.610 39.103 38.487 0.011 0.000 1.380 114 N HN 0.749 9.965 8.380 0.086 -0.785 0.493 115 G N 1.375 110.257 108.800 0.137 0.000 2.258 115 G HA2 -0.469 3.363 3.960 -0.214 0.000 0.274 115 G HA3 -0.469 3.421 3.960 -0.116 0.000 0.274 115 G C -1.635 173.397 174.900 0.220 0.000 1.021 115 G CA 1.098 46.212 45.100 0.023 0.000 0.798 115 G HN 0.033 8.553 8.290 0.198 -0.111 0.507 116 T N -4.458 110.328 114.554 0.386 0.000 3.237 116 T HA 0.531 5.264 4.350 0.294 -0.206 0.319 116 T C -1.072 173.689 174.700 0.100 0.000 1.037 116 T CA -2.126 60.123 62.100 0.248 0.000 1.048 116 T CB 2.725 71.656 68.868 0.105 0.000 1.081 116 T HN -0.727 8.045 8.240 0.352 -0.321 0.455 117 I N 6.461 127.054 120.570 0.038 0.000 2.331 117 I HA 0.197 4.473 4.170 -0.199 -0.225 0.292 117 I C -0.986 175.181 176.117 0.082 0.000 0.998 117 I CA -0.693 60.541 61.300 -0.109 0.000 1.267 117 I CB 1.720 39.549 38.000 -0.286 0.000 1.386 117 I HN 0.624 8.808 8.210 0.143 0.112 0.476 118 S N 5.100 120.790 115.700 -0.017 0.000 2.677 118 S HA 0.417 4.890 4.470 0.005 0.000 0.304 118 S C 0.534 174.909 174.600 -0.375 0.000 1.108 118 S CA -3.140 54.998 58.200 -0.105 0.000 0.944 118 S CB 2.037 65.190 63.200 -0.079 0.000 1.127 118 S HN 0.279 8.855 8.310 -0.067 -0.307 0.511 119 K N 3.152 123.163 120.400 -0.649 0.000 2.015 119 K HA -0.438 3.236 4.320 -1.077 0.000 0.220 119 K C 1.729 178.129 176.600 -0.333 0.000 1.055 119 K CA 4.629 60.489 56.287 -0.713 0.000 0.951 119 K CB -0.147 32.008 32.500 -0.574 0.000 0.725 119 K HN 0.720 8.628 8.250 -0.569 0.000 0.449 120 N N -1.401 117.169 118.700 -0.217 0.000 2.027 120 N HA -0.506 4.171 4.740 -0.106 0.000 0.200 120 N C 1.782 177.247 175.510 -0.076 0.000 1.042 120 N CA 3.335 56.315 53.050 -0.116 0.000 0.871 120 N CB -0.477 37.962 38.487 -0.080 0.000 1.063 120 N HN 0.210 8.458 8.380 -0.219 0.000 0.438 121 E N 0.186 120.349 120.200 -0.062 0.000 2.055 121 E HA -0.408 3.957 4.350 0.026 0.000 0.209 121 E C 2.506 179.130 176.600 0.040 0.000 1.036 121 E CA 3.022 59.421 56.400 -0.002 0.000 0.849 121 E CB -0.418 29.269 29.700 -0.021 0.000 0.767 121 E HN -0.195 8.114 8.360 -0.084 0.000 0.461 122 V N -0.713 119.232 119.914 0.051 0.000 2.380 122 V HA -0.447 3.878 4.120 0.342 0.000 0.251 122 V C 1.863 177.993 176.094 0.059 0.000 1.063 122 V CA 3.946 66.346 62.300 0.166 0.000 1.055 122 V CB -1.011 30.917 31.823 0.175 0.000 0.657 122 V HN -0.473 7.705 8.190 -0.020 0.000 0.455 123 L N -1.442 119.767 121.223 -0.024 0.000 2.083 123 L HA -0.318 4.006 4.340 -0.026 0.000 0.209 123 L C 1.750 178.595 176.870 -0.043 0.000 1.083 123 L CA 3.325 58.141 54.840 -0.039 0.000 0.752 123 L CB -1.126 40.893 42.059 -0.067 0.000 0.899 123 L HN 0.603 8.586 8.230 -0.070 0.206 0.433 124 E N -0.886 119.286 120.200 -0.047 0.000 2.007 124 E HA -0.369 3.942 4.350 -0.064 0.000 0.194 124 E C 2.484 178.895 176.600 -0.315 0.000 0.999 124 E CA 3.233 59.571 56.400 -0.105 0.000 0.811 124 E CB -0.246 29.465 29.700 0.018 0.000 0.762 124 E HN -0.415 7.817 8.360 -0.023 0.114 0.450 125 I N -1.420 118.924 120.570 -0.376 0.000 2.074 125 I HA -0.430 3.225 4.170 -0.859 0.000 0.238 125 I C 2.463 178.499 176.117 -0.134 0.000 1.037 125 I CA 2.441 63.495 61.300 -0.410 0.000 1.301 125 I CB -1.968 35.897 38.000 -0.225 0.000 1.016 125 I HN -0.536 7.563 8.210 -0.185 0.000 0.400 126 V N 0.228 120.128 119.914 -0.024 0.000 2.233 126 V HA -0.574 3.623 4.120 0.129 0.000 0.252 126 V C 2.602 178.742 176.094 0.077 0.000 1.063 126 V CA 4.392 66.728 62.300 0.060 0.000 1.032 126 V CB -1.278 30.563 31.823 0.030 0.000 0.645 126 V HN -0.272 7.909 8.190 -0.014 0.000 0.446 127 T N 0.947 115.509 114.554 0.012 0.000 2.635 127 T HA -0.465 3.930 4.350 0.075 0.000 0.267 127 T C 1.676 176.444 174.700 0.113 0.000 1.040 127 T CA 4.734 66.866 62.100 0.055 0.000 1.156 127 T CB -0.324 68.552 68.868 0.013 0.000 0.863 127 T HN -0.417 7.806 8.240 -0.028 0.000 0.430 128 A N 1.919 124.758 122.820 0.032 0.000 1.848 128 A HA -0.425 4.031 4.320 0.145 -0.049 0.217 128 A C 1.808 179.528 177.584 0.227 0.000 1.220 128 A CA 3.343 55.447 52.037 0.112 0.000 0.645 128 A CB -0.941 18.057 19.000 -0.003 0.000 0.842 128 A HN 0.237 8.333 8.150 -0.089 0.000 0.451 129 I N -1.235 119.489 120.570 0.256 0.000 2.074 129 I HA -0.661 3.648 4.170 0.232 0.000 0.238 129 I C 2.049 178.271 176.117 0.175 0.000 1.037 129 I CA 4.234 65.670 61.300 0.227 0.000 1.301 129 I CB -0.395 37.725 38.000 0.200 0.000 1.016 129 I HN -0.652 7.685 8.210 0.212 0.000 0.400 130 F N -0.986 119.004 119.950 0.066 0.000 2.091 130 F HA -0.426 4.128 4.527 0.045 0.000 0.299 130 F C 2.248 178.084 175.800 0.060 0.000 1.103 130 F CA 3.861 61.893 58.000 0.053 0.000 1.228 130 F CB -0.061 38.967 39.000 0.046 0.000 0.984 130 F HN -0.491 8.080 8.300 0.452 0.000 0.477 131 K N -1.146 119.404 120.400 0.251 0.000 2.089 131 K HA -0.427 3.991 4.320 0.164 0.000 0.210 131 K C 1.521 178.193 176.600 0.119 0.000 1.048 131 K CA 2.534 58.922 56.287 0.168 0.000 0.926 131 K CB -0.298 32.295 32.500 0.156 0.000 0.714 131 K HN 0.436 8.662 8.250 0.275 0.189 0.448 132 M N -3.254 116.423 119.600 0.129 0.000 2.073 132 M HA -0.367 4.315 4.480 0.117 -0.131 0.258 132 M C 0.856 177.173 176.300 0.028 0.000 1.070 132 M CA 3.428 58.788 55.300 0.101 0.000 1.103 132 M CB 0.753 33.428 32.600 0.124 0.000 1.321 132 M HN -0.650 7.659 8.290 0.166 0.080 0.405 133 I N -3.324 117.224 120.570 -0.037 0.000 2.919 133 I HA -0.267 3.850 4.170 -0.088 0.000 0.303 133 I C -0.360 175.737 176.117 -0.033 0.000 1.221 133 I CA 0.738 61.981 61.300 -0.094 0.000 1.444 133 I CB 0.115 37.964 38.000 -0.253 0.000 1.331 133 I HN -0.850 7.265 8.210 -0.050 0.065 0.572 134 S N 7.138 122.823 115.700 -0.024 0.000 2.565 134 S HA 0.139 4.618 4.470 0.014 0.000 0.276 134 S C -0.093 174.515 174.600 0.013 0.000 1.326 134 S CA -2.755 55.447 58.200 0.003 0.000 1.045 134 S CB 0.950 64.153 63.200 0.005 0.000 0.918 134 S HN 0.087 8.375 8.310 -0.037 0.000 0.505 135 P HA -0.305 4.147 4.420 0.053 0.000 0.210 135 P C 1.012 178.333 177.300 0.034 0.000 1.185 135 P CA 2.424 65.548 63.100 0.039 0.000 0.924 135 P CB 0.054 31.776 31.700 0.038 0.000 0.786 136 E N -3.655 116.562 120.200 0.028 0.000 2.352 136 E HA -0.334 4.028 4.350 0.020 0.000 0.203 136 E C 0.917 177.546 176.600 0.049 0.000 1.024 136 E CA 2.522 58.939 56.400 0.028 0.000 0.842 136 E CB -0.702 29.013 29.700 0.026 0.000 0.753 136 E HN 0.421 8.796 8.360 0.025 0.000 0.508 137 D N -3.543 116.886 120.400 0.048 0.000 2.379 137 D HA 0.148 4.875 4.640 0.145 0.000 0.218 137 D C 1.398 177.732 176.300 0.057 0.000 1.006 137 D CA 1.595 55.638 54.000 0.072 0.000 0.893 137 D CB 0.670 41.484 40.800 0.023 0.000 1.019 137 D HN -0.434 7.750 8.370 0.032 0.205 0.503 138 T N 2.903 117.471 114.554 0.023 0.000 3.155 138 T HA -0.290 4.030 4.350 -0.049 0.000 0.264 138 T C 0.293 175.037 174.700 0.073 0.000 1.160 138 T CA 2.940 65.049 62.100 0.015 0.000 1.075 138 T CB -0.334 68.558 68.868 0.040 0.000 0.921 138 T HN 0.490 8.519 8.240 0.022 0.224 0.533 139 K N -1.763 118.674 120.400 0.061 0.000 2.242 139 K HA -0.171 4.182 4.320 0.056 0.000 0.200 139 K C 0.321 176.937 176.600 0.026 0.000 1.050 139 K CA 0.996 57.304 56.287 0.036 0.000 0.981 139 K CB 0.102 32.595 32.500 -0.011 0.000 0.795 139 K HN -0.832 7.345 8.250 0.056 0.107 0.477 140 H N -1.959 117.119 119.070 0.012 0.000 2.289 140 H HA -0.261 4.301 4.556 0.010 0.000 0.296 140 H C 1.213 176.550 175.328 0.016 0.000 1.091 140 H CA 2.721 58.774 56.048 0.008 0.000 1.274 140 H CB 0.636 30.395 29.762 -0.006 0.000 1.364 140 H HN -0.631 7.633 8.280 0.137 0.099 0.490 141 L N -3.729 117.588 121.223 0.156 0.000 2.536 141 L HA -0.115 4.283 4.340 0.097 0.000 0.294 141 L C -1.948 174.982 176.870 0.100 0.000 1.257 141 L CA -1.182 53.723 54.840 0.108 0.000 0.850 141 L CB -1.235 40.880 42.059 0.094 0.000 1.105 141 L HN -0.722 7.597 8.230 0.149 0.000 0.517 142 P HA -0.050 4.406 4.420 0.060 0.000 0.268 142 P C -0.532 176.815 177.300 0.079 0.000 1.208 142 P CA -0.081 63.062 63.100 0.072 0.000 0.777 142 P CB 0.489 32.228 31.700 0.065 0.000 0.875 143 E N 1.524 121.759 120.200 0.059 0.000 4.517 143 E HA -0.221 4.170 4.350 0.068 0.000 0.408 143 E C 0.169 176.799 176.600 0.050 0.000 1.456 143 E CA 0.470 56.903 56.400 0.055 0.000 2.449 143 E CB -0.097 29.625 29.700 0.036 0.000 1.556 143 E HN -0.335 8.053 8.360 0.047 0.000 0.781 144 D N -4.861 115.560 120.400 0.035 0.000 2.913 144 D HA -0.327 4.324 4.640 0.019 0.000 0.228 144 D C -1.333 174.987 176.300 0.034 0.000 1.180 144 D CA 1.792 55.809 54.000 0.028 0.000 0.761 144 D CB -1.130 39.685 40.800 0.026 0.000 1.085 144 D HN 0.228 8.617 8.370 0.031 0.000 0.420 145 E N -3.487 116.740 120.200 0.044 0.000 3.194 145 E HA -0.054 4.308 4.350 0.021 0.000 0.114 145 E C -2.250 174.403 176.600 0.088 0.000 0.882 145 E CA 0.089 56.521 56.400 0.054 0.000 1.545 145 E CB 0.229 29.979 29.700 0.083 0.000 0.986 145 E HN 0.038 8.356 8.360 0.050 0.072 0.357 146 N N -1.190 117.547 118.700 0.062 0.000 2.184 146 N HA 0.029 5.003 4.740 0.390 0.000 0.206 146 N C -1.231 174.233 175.510 -0.077 0.000 1.151 146 N CA 0.530 53.672 53.050 0.153 0.000 0.878 146 N CB 1.052 39.641 38.487 0.170 0.000 1.014 146 N HN -0.276 8.124 8.380 0.032 0.000 0.512 147 T N 0.434 114.876 114.554 -0.188 0.000 2.867 147 T HA 0.363 4.589 4.350 -0.205 0.000 0.282 147 T C -1.152 173.308 174.700 -0.400 0.000 1.000 147 T CA -2.619 59.337 62.100 -0.239 0.000 1.042 147 T CB 1.510 70.316 68.868 -0.104 0.000 0.973 147 T HN -0.554 7.612 8.240 -0.122 0.000 0.465 148 P HA -0.164 3.966 4.420 -0.484 0.000 0.216 148 P C 1.164 178.360 177.300 -0.172 0.000 1.150 148 P CA 2.429 65.335 63.100 -0.323 0.000 0.837 148 P CB -0.071 31.529 31.700 -0.167 0.000 0.786 149 E N -3.790 116.337 120.200 -0.122 0.000 2.299 149 E HA -0.154 4.164 4.350 -0.054 0.000 0.193 149 E C 2.135 178.704 176.600 -0.051 0.000 0.998 149 E CA 2.156 58.516 56.400 -0.067 0.000 0.851 149 E CB -1.049 28.621 29.700 -0.051 0.000 0.795 149 E HN 0.517 8.786 8.360 -0.125 0.016 0.492 150 K N -0.309 120.044 120.400 -0.078 0.000 2.148 150 K HA -0.198 4.110 4.320 -0.020 0.000 0.204 150 K C 1.586 178.173 176.600 -0.021 0.000 1.050 150 K CA 1.976 58.236 56.287 -0.046 0.000 0.942 150 K CB -0.155 32.309 32.500 -0.060 0.000 0.724 150 K HN -0.689 7.327 8.250 -0.121 0.162 0.446 151 R N -3.366 117.104 120.500 -0.050 0.000 2.128 151 R HA -0.103 4.268 4.340 0.052 0.000 0.211 151 R C 2.037 178.387 176.300 0.083 0.000 1.067 151 R CA 2.379 58.491 56.100 0.019 0.000 1.010 151 R CB 0.493 30.785 30.300 -0.012 0.000 0.922 151 R HN -0.533 7.648 8.270 -0.121 0.016 0.457 152 A N 0.085 122.939 122.820 0.055 0.000 2.042 152 A HA -0.373 4.049 4.320 0.170 0.000 0.222 152 A C 1.197 178.891 177.584 0.183 0.000 1.167 152 A CA 3.245 55.352 52.037 0.116 0.000 0.649 152 A CB -0.859 18.162 19.000 0.036 0.000 0.809 152 A HN -0.059 8.087 8.150 -0.007 0.000 0.457 153 E N -3.180 117.099 120.200 0.131 0.000 2.216 153 E HA -0.286 4.184 4.350 0.200 0.000 0.192 153 E C 1.998 178.702 176.600 0.173 0.000 0.988 153 E CA 2.360 58.852 56.400 0.153 0.000 0.834 153 E CB -0.072 29.679 29.700 0.085 0.000 0.772 153 E HN -0.367 7.998 8.360 0.081 0.043 0.479 154 K N -0.519 119.981 120.400 0.167 0.000 2.044 154 K HA -0.177 4.214 4.320 0.118 0.000 0.204 154 K C 2.670 179.453 176.600 0.304 0.000 1.049 154 K CA 2.443 58.841 56.287 0.185 0.000 0.945 154 K CB -0.216 32.389 32.500 0.175 0.000 0.724 154 K HN 0.129 8.281 8.250 0.147 0.187 0.440 155 I N -0.490 120.281 120.570 0.336 0.000 2.110 155 I HA -0.438 3.967 4.170 0.391 0.000 0.236 155 I C 1.187 177.615 176.117 0.518 0.000 1.068 155 I CA 4.001 65.555 61.300 0.423 0.000 1.333 155 I CB -0.172 38.089 38.000 0.435 0.000 1.054 155 I HN -0.450 7.933 8.210 0.289 0.000 0.402 156 W N -0.469 121.009 121.300 0.297 0.000 2.342 156 W HA -0.329 4.542 4.660 0.351 0.000 0.297 156 W C 1.833 178.508 176.519 0.260 0.000 1.213 156 W CA 2.869 60.381 57.345 0.278 0.000 1.251 156 W CB 0.427 29.978 29.460 0.152 0.000 1.136 156 W HN -0.428 8.103 8.180 0.585 0.000 0.526 157 G N -3.846 105.147 108.800 0.321 0.000 2.471 157 G HA2 -0.361 3.681 3.960 0.137 0.000 0.219 157 G HA3 -0.361 3.814 3.960 0.115 -0.145 0.219 157 G C 0.343 175.264 174.900 0.035 0.000 1.125 157 G CA 0.961 46.146 45.100 0.142 0.000 0.775 157 G HN -0.602 7.801 8.290 0.373 0.111 0.548 158 F N 0.922 120.856 119.950 -0.026 0.000 2.031 158 F HA -0.365 4.074 4.527 -0.145 0.000 0.295 158 F C 1.598 177.234 175.800 -0.273 0.000 1.133 158 F CA 2.891 60.773 58.000 -0.196 0.000 1.188 158 F CB 0.257 39.044 39.000 -0.355 0.000 0.974 158 F HN -0.761 7.556 8.300 0.292 0.158 0.473 159 F N -2.980 117.025 119.950 0.092 0.000 2.095 159 F HA -0.246 4.283 4.527 0.002 0.000 0.298 159 F C 1.252 176.976 175.800 -0.127 0.000 1.104 159 F CA 1.913 59.868 58.000 -0.076 0.000 1.232 159 F CB 0.477 39.315 39.000 -0.269 0.000 0.987 159 F HN -0.898 7.459 8.300 0.095 0.000 0.475 160 G N -1.635 107.154 108.800 -0.018 0.000 3.429 160 G HA2 -0.410 3.522 3.960 -0.047 0.000 0.605 160 G HA3 -0.410 3.539 3.960 -0.020 0.000 0.605 160 G C -2.155 172.707 174.900 -0.064 0.000 0.973 160 G CA 0.171 45.242 45.100 -0.048 0.000 0.774 160 G HN -0.491 7.761 8.290 -0.064 0.000 0.422 161 K N 1.376 121.733 120.400 -0.071 0.000 2.569 161 K HA 0.283 4.604 4.320 0.001 0.000 0.259 161 K C -1.996 174.664 176.600 0.099 0.000 0.932 161 K CA -1.256 55.023 56.287 -0.014 0.000 0.833 161 K CB 2.610 35.052 32.500 -0.097 0.000 1.340 161 K HN -0.381 7.835 8.250 -0.056 0.000 0.429 162 K N 1.977 122.430 120.400 0.088 0.000 2.556 162 K HA 0.122 4.537 4.320 0.158 0.000 0.201 162 K C 0.806 177.457 176.600 0.085 0.000 1.423 162 K CA 0.737 57.089 56.287 0.109 0.000 1.010 162 K CB -0.080 32.468 32.500 0.081 0.000 1.409 162 K HN 0.381 8.665 8.250 0.058 0.000 0.538 163 D N 1.940 122.376 120.400 0.061 0.000 2.128 163 D HA -0.113 4.555 4.640 0.046 0.000 0.213 163 D C 1.310 177.642 176.300 0.053 0.000 0.983 163 D CA 2.407 56.436 54.000 0.048 0.000 0.889 163 D CB 0.169 40.989 40.800 0.033 0.000 1.018 163 D HN -0.107 8.294 8.370 0.052 0.000 0.448 164 D N -0.763 119.663 120.400 0.045 0.000 3.032 164 D HA 0.056 4.723 4.640 0.046 0.000 0.241 164 D C -0.590 175.749 176.300 0.066 0.000 1.196 164 D CA -0.892 53.135 54.000 0.045 0.000 0.927 164 D CB -1.309 39.507 40.800 0.026 0.000 1.129 164 D HN 0.026 8.417 8.370 0.036 0.000 0.458 165 D N 2.139 122.604 120.400 0.109 0.000 2.801 165 D HA -0.224 4.529 4.640 0.187 0.000 0.249 165 D C -1.416 175.033 176.300 0.249 0.000 1.273 165 D CA 0.750 54.876 54.000 0.211 0.000 0.953 165 D CB -0.843 40.112 40.800 0.259 0.000 1.134 165 D HN -0.158 8.160 8.370 0.099 0.111 0.449 166 K N -1.485 119.000 120.400 0.141 0.000 2.640 166 K HA 0.446 5.062 4.320 0.202 -0.174 0.245 166 K C -1.140 175.505 176.600 0.075 0.000 0.962 166 K CA -1.527 54.840 56.287 0.133 0.000 0.896 166 K CB 1.366 33.920 32.500 0.089 0.000 1.147 166 K HN 0.135 8.296 8.250 0.085 0.141 0.445 167 L N 7.207 128.470 121.223 0.068 0.000 2.331 167 L HA 0.170 4.491 4.340 -0.031 0.000 0.278 167 L C -0.107 176.861 176.870 0.162 0.000 1.106 167 L CA -0.642 54.207 54.840 0.015 0.000 0.824 167 L CB 1.438 43.422 42.059 -0.125 0.000 1.142 167 L HN -0.016 8.295 8.230 0.135 0.000 0.443 168 T N 1.546 116.157 114.554 0.095 0.000 2.897 168 T HA 0.429 4.999 4.350 0.027 -0.204 0.278 168 T C 1.216 175.833 174.700 -0.138 0.000 0.981 168 T CA -2.328 59.770 62.100 -0.003 0.000 0.973 168 T CB 2.011 70.841 68.868 -0.062 0.000 1.092 168 T HN -0.218 8.046 8.240 0.041 0.000 0.543 169 E N 0.862 120.677 120.200 -0.642 0.000 2.338 169 E HA -0.314 3.560 4.350 -0.792 0.000 0.197 169 E C 0.582 177.077 176.600 -0.175 0.000 1.007 169 E CA 3.062 59.027 56.400 -0.725 0.000 0.849 169 E CB -0.583 28.569 29.700 -0.913 0.000 0.774 169 E HN 0.624 8.579 8.360 -0.675 0.000 0.506 170 K N -0.794 119.533 120.400 -0.122 0.000 1.995 170 K HA -0.178 4.124 4.320 -0.031 0.000 0.207 170 K C 2.292 178.907 176.600 0.024 0.000 1.041 170 K CA 2.811 59.076 56.287 -0.036 0.000 0.942 170 K CB 0.069 32.541 32.500 -0.046 0.000 0.731 170 K HN -0.192 7.909 8.250 -0.164 0.051 0.439 171 E N 0.337 120.553 120.200 0.026 0.000 2.110 171 E HA -0.359 4.008 4.350 0.028 0.000 0.193 171 E C 2.263 178.905 176.600 0.069 0.000 0.988 171 E CA 2.548 58.971 56.400 0.038 0.000 0.804 171 E CB -0.214 29.497 29.700 0.018 0.000 0.745 171 E HN -0.741 7.622 8.360 0.004 0.000 0.458 172 F N 0.386 120.314 119.950 -0.037 0.000 2.271 172 F HA -0.356 4.105 4.527 -0.110 0.000 0.302 172 F C 0.938 176.771 175.800 0.054 0.000 1.063 172 F CA 3.276 61.267 58.000 -0.015 0.000 1.362 172 F CB 0.098 39.154 39.000 0.094 0.000 1.060 172 F HN -0.197 8.217 8.300 0.210 0.012 0.521 173 I N -3.464 117.149 120.570 0.071 0.000 2.867 173 I HA -0.216 3.926 4.170 -0.048 0.000 0.265 173 I C 1.633 177.737 176.117 -0.022 0.000 1.162 173 I CA 2.579 63.886 61.300 0.013 0.000 1.471 173 I CB 0.507 38.558 38.000 0.084 0.000 1.123 173 I HN -0.319 7.801 8.210 0.138 0.172 0.440 174 E N 0.036 120.237 120.200 0.001 0.000 2.030 174 E HA -0.148 4.201 4.350 -0.002 0.000 0.189 174 E C 2.497 179.101 176.600 0.007 0.000 0.974 174 E CA 2.828 59.230 56.400 0.004 0.000 0.807 174 E CB -0.296 29.413 29.700 0.015 0.000 0.771 174 E HN 0.063 8.306 8.360 0.020 0.128 0.451 175 G N -1.846 106.986 108.800 0.053 0.000 2.549 175 G HA2 -0.280 3.731 3.960 0.085 0.000 0.222 175 G HA3 -0.280 3.885 3.960 0.341 0.000 0.222 175 G C 0.344 175.260 174.900 0.026 0.000 1.100 175 G CA 2.400 47.581 45.100 0.134 0.000 0.739 175 G HN 0.387 8.608 8.290 0.053 0.101 0.577 176 T N -4.176 110.356 114.554 -0.036 0.000 3.023 176 T HA -0.044 4.205 4.350 -0.169 0.000 0.249 176 T C 0.509 175.155 174.700 -0.089 0.000 1.050 176 T CA 0.469 62.498 62.100 -0.118 0.000 1.088 176 T CB 0.994 69.747 68.868 -0.192 0.000 0.946 176 T HN -0.671 7.461 8.240 -0.043 0.083 0.480 177 L N 0.344 121.534 121.223 -0.055 0.000 2.201 177 L HA -0.233 4.089 4.340 -0.029 0.000 0.212 177 L C 0.671 177.520 176.870 -0.035 0.000 1.105 177 L CA 1.829 56.649 54.840 -0.033 0.000 0.775 177 L CB 0.138 42.188 42.059 -0.014 0.000 0.913 177 L HN -0.189 7.868 8.230 -0.046 0.145 0.440 178 A N -1.517 121.278 122.820 -0.043 0.000 2.070 178 A HA -0.083 4.221 4.320 -0.027 0.000 0.221 178 A C -0.301 177.247 177.584 -0.060 0.000 1.603 178 A CA 0.335 52.349 52.037 -0.038 0.000 0.639 178 A CB 0.096 19.080 19.000 -0.026 0.000 1.235 178 A HN -0.363 7.733 8.150 -0.045 0.027 0.518 179 N N -0.214 118.434 118.700 -0.086 0.000 2.332 179 N HA -0.251 4.456 4.740 -0.056 0.000 0.274 179 N C -0.311 175.105 175.510 -0.157 0.000 1.351 179 N CA 0.739 53.716 53.050 -0.121 0.000 0.875 179 N CB 0.484 38.836 38.487 -0.226 0.000 1.140 179 N HN 0.203 8.534 8.380 -0.082 0.000 0.489 180 K N 2.019 122.361 120.400 -0.098 0.000 2.400 180 K HA -0.100 4.163 4.320 -0.096 0.000 0.194 180 K C 0.887 177.423 176.600 -0.106 0.000 1.033 180 K CA 1.538 57.772 56.287 -0.088 0.000 1.021 180 K CB 0.325 32.799 32.500 -0.043 0.000 0.808 180 K HN 0.262 8.477 8.250 -0.058 0.000 0.505 181 E N -1.279 118.852 120.200 -0.114 0.000 2.478 181 E HA -0.136 4.194 4.350 -0.033 0.000 0.198 181 E C 0.902 177.342 176.600 -0.266 0.000 1.046 181 E CA 1.946 58.296 56.400 -0.084 0.000 0.870 181 E CB -0.965 28.799 29.700 0.106 0.000 0.818 181 E HN 0.385 8.647 8.360 -0.095 0.041 0.527 182 I N -0.459 119.821 120.570 -0.484 0.000 2.406 182 I HA -0.323 3.392 4.170 -0.759 0.000 0.249 182 I C 0.878 176.864 176.117 -0.219 0.000 1.122 182 I CA 3.199 64.151 61.300 -0.581 0.000 1.431 182 I CB 0.051 37.636 38.000 -0.692 0.000 1.087 182 I HN -0.808 7.081 8.210 -0.427 0.065 0.424 183 L N -2.630 118.508 121.223 -0.141 0.000 2.549 183 L HA -0.248 4.098 4.340 0.010 0.000 0.230 183 L C 1.241 178.103 176.870 -0.012 0.000 1.162 183 L CA 2.408 57.227 54.840 -0.036 0.000 0.834 183 L CB -1.658 40.384 42.059 -0.029 0.000 0.947 183 L HN -0.454 7.674 8.230 -0.171 0.000 0.452 184 R N -3.971 116.511 120.500 -0.030 0.000 2.066 184 R HA -0.189 4.153 4.340 0.003 0.000 0.224 184 R C 1.276 177.596 176.300 0.034 0.000 1.122 184 R CA 2.446 58.548 56.100 0.003 0.000 0.974 184 R CB 0.183 30.489 30.300 0.010 0.000 0.871 184 R HN -0.695 7.336 8.270 -0.074 0.194 0.435 185 L N -2.711 118.540 121.223 0.046 0.000 2.286 185 L HA -0.019 4.380 4.340 0.099 0.000 0.203 185 L C 1.379 178.335 176.870 0.143 0.000 1.068 185 L CA 0.697 55.597 54.840 0.100 0.000 0.811 185 L CB 0.941 43.078 42.059 0.129 0.000 0.989 185 L HN -0.733 7.502 8.230 0.008 0.000 0.467 186 I N -1.517 119.139 120.570 0.142 0.000 2.597 186 I HA -0.477 3.883 4.170 0.318 0.000 0.262 186 I C -0.393 175.933 176.117 0.348 0.000 1.194 186 I CA 1.692 63.153 61.300 0.267 0.000 1.437 186 I CB 0.030 38.175 38.000 0.242 0.000 1.096 186 I HN -0.586 7.662 8.210 0.063 0.000 0.451 187 Q N -1.658 118.263 119.800 0.201 0.000 2.413 187 Q HA -0.261 4.104 4.340 0.043 0.000 0.298 187 Q C -0.202 175.865 176.000 0.111 0.000 1.186 187 Q CA 0.619 56.476 55.803 0.090 0.000 1.014 187 Q CB -0.537 28.199 28.738 -0.004 0.000 1.130 187 Q HN -0.131 8.138 8.270 0.136 0.083 0.410 188 F N 2.753 122.751 119.950 0.081 0.000 2.451 188 F HA 0.257 4.817 4.527 0.055 0.000 0.356 188 F C -0.745 175.045 175.800 -0.017 0.000 1.178 188 F CA -2.658 55.375 58.000 0.056 0.000 1.210 188 F CB -1.346 37.698 39.000 0.073 0.000 1.504 188 F HN -0.342 8.010 8.300 0.087 0.000 0.598 189 E N 0.000 120.088 120.200 -0.187 0.000 2.725 189 E HA 0.000 4.096 4.350 -0.424 0.000 0.291 189 E CA 0.000 56.189 56.400 -0.352 0.000 0.976 189 E CB 0.000 29.540 29.700 -0.266 0.000 0.812 189 E HN 0.000 8.310 8.360 -0.083 0.000 0.440