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 3khj_1_D DATA FIRST_RESID 1 DATA SEQUENCE MGTKNIGKGL TFEDILLVPN YSEVLPREVS LETKLTKNVS LKIPLISSAM DATA SEQUENCE DTVTEHLMAV GMARLGGIGI IHKNMDMESQ VNEVLKVKNS GGXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXLRVGAA IGVNEIERAK DATA SEQUENCE LLVEAGVDVI VLDSAHGHSL NIIRTLKEIK SKMNIDVIVG NVVTEEATKE DATA SEQUENCE LIENGADGIK VGIGPGSICT TRIVAGVGVP QITAIEKCSS VASKFGIPII DATA SEQUENCE ADGGIRYSGD IGKALAVGAS SVMIGSILAG TEESPGEKEL IGDTVYKYYR DATA SEQUENCE GMGSVGAMKS XXXXXXXXXX XXXXXMVPEG IEGRVKYKGE MEGVVYQLVG DATA SEQUENCE GLRSCMGYLG SASIEELWKK SSYVEITT 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 1 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 1 M C 0.000 176.300 176.300 0.000 0.000 1.140 1 M CA 0.000 55.300 55.300 0.000 0.000 0.988 1 M CB 0.000 32.600 32.600 0.000 0.000 1.302 2 G N 0.047 108.847 108.800 0.000 0.000 3.286 2 G HA2 0.516 4.489 3.960 0.021 0.000 0.173 2 G HA3 0.516 4.489 3.960 0.021 0.000 0.173 2 G C 1.026 175.926 174.900 -0.000 0.000 1.704 2 G CA 1.322 46.422 45.100 0.000 0.000 1.041 2 G HN 1.591 9.881 8.290 -0.000 0.000 0.561 3 T N -0.997 113.557 114.554 -0.000 0.000 3.037 3 T HA 0.136 4.499 4.350 0.021 0.000 0.252 3 T C 1.864 176.564 174.700 0.000 0.000 1.073 3 T CA 0.854 62.954 62.100 0.000 0.000 1.091 3 T CB -0.170 68.698 68.868 0.000 0.000 0.935 3 T HN 0.273 8.513 8.240 -0.000 0.000 0.488 4 K N 1.328 121.728 120.400 -0.000 0.000 2.404 4 K HA 0.184 4.517 4.320 0.021 0.000 0.194 4 K C 0.444 177.044 176.600 -0.000 0.000 1.023 4 K CA -0.268 56.019 56.287 -0.000 0.000 1.094 4 K CB 0.118 32.617 32.500 -0.001 0.000 0.841 4 K HN 0.115 8.365 8.250 -0.000 0.000 0.523 5 N N 1.915 120.615 118.700 -0.001 0.000 2.475 5 N HA -0.002 4.751 4.740 0.021 0.000 0.267 5 N C 0.531 176.041 175.510 0.000 0.000 1.169 5 N CA 0.034 53.084 53.050 -0.001 0.000 0.947 5 N CB 0.625 39.111 38.487 -0.001 0.000 1.061 5 N HN 0.170 8.550 8.380 -0.000 0.000 0.466 6 I N 0.255 120.825 120.570 -0.000 0.000 4.018 6 I HA 0.541 4.724 4.170 0.021 0.000 0.337 6 I C 0.826 176.943 176.117 0.001 0.000 1.327 6 I CA -0.286 61.014 61.300 0.001 0.000 1.100 6 I CB 0.047 38.048 38.000 0.002 0.000 1.025 6 I HN 0.495 8.705 8.210 -0.000 0.000 0.396 7 G N 1.535 110.335 108.800 -0.000 0.000 2.361 7 G HA2 0.023 3.996 3.960 0.021 0.000 0.331 7 G HA3 0.023 3.996 3.960 0.021 0.000 0.331 7 G C -1.673 173.227 174.900 -0.001 0.000 1.324 7 G CA -0.943 44.158 45.100 0.001 0.000 0.984 7 G HN 0.225 8.515 8.290 -0.000 0.000 0.586 8 K N 0.070 120.471 120.400 0.002 0.000 2.258 8 K HA 0.575 4.908 4.320 0.021 0.000 0.284 8 K C 0.671 177.268 176.600 -0.005 0.000 1.051 8 K CA 0.146 56.433 56.287 -0.000 0.000 0.923 8 K CB 0.840 33.344 32.500 0.006 0.000 1.046 8 K HN 0.921 9.171 8.250 -0.000 0.000 0.474 9 G N 4.427 113.217 108.800 -0.016 0.000 2.338 9 G HA2 0.418 4.391 3.960 0.021 0.000 0.298 9 G HA3 0.418 4.391 3.960 0.021 0.000 0.298 9 G C -0.734 174.138 174.900 -0.045 0.000 1.140 9 G CA -0.674 44.407 45.100 -0.033 0.000 0.860 9 G HN 0.522 8.812 8.290 -0.000 0.000 0.470 10 L N 1.669 122.851 121.223 -0.068 0.000 2.307 10 L HA 0.515 4.868 4.340 0.021 0.000 0.284 10 L C 0.736 177.504 176.870 -0.170 0.000 1.023 10 L CA -0.672 54.110 54.840 -0.095 0.000 0.810 10 L CB 2.135 44.138 42.059 -0.092 0.000 1.231 10 L HN 0.534 8.764 8.230 -0.000 0.000 0.423 11 T N 0.317 114.774 114.554 -0.162 0.000 2.889 11 T HA 0.404 4.767 4.350 0.021 0.000 0.278 11 T C 1.123 175.694 174.700 -0.214 0.000 0.995 11 T CA -0.253 61.698 62.100 -0.249 0.000 0.966 11 T CB 0.619 69.402 68.868 -0.141 0.000 1.237 11 T HN 0.354 8.594 8.240 -0.000 0.000 0.591 12 F N 0.201 120.124 119.950 -0.044 0.000 2.126 12 F HA -0.036 4.493 4.527 0.003 0.000 0.299 12 F C 2.499 178.281 175.800 -0.030 0.000 1.096 12 F CA 1.276 59.252 58.000 -0.041 0.000 1.255 12 F CB -0.035 38.959 39.000 -0.009 0.000 0.997 12 F HN 0.514 8.814 8.300 -0.000 0.000 0.479 13 E N 0.195 120.495 120.200 0.167 0.000 2.418 13 E HA -0.129 4.234 4.350 0.021 0.000 0.197 13 E C 1.239 177.867 176.600 0.047 0.000 1.026 13 E CA 0.724 57.185 56.400 0.102 0.000 0.862 13 E CB -0.322 29.435 29.700 0.095 0.000 0.799 13 E HN 0.236 8.596 8.360 -0.000 0.000 0.518 14 D N -0.403 120.007 120.400 0.016 0.000 2.323 14 D HA 0.078 4.730 4.640 0.021 0.000 0.209 14 D C 0.844 177.142 176.300 -0.002 0.000 0.973 14 D CA 0.411 54.409 54.000 -0.003 0.000 0.874 14 D CB 0.304 41.087 40.800 -0.028 0.000 0.930 14 D HN 0.377 8.747 8.370 -0.000 0.000 0.521 15 I N -2.768 117.789 120.570 -0.022 0.000 3.002 15 I HA 0.501 4.684 4.170 0.021 0.000 0.310 15 I C -1.283 174.845 176.117 0.017 0.000 1.087 15 I CA -1.044 60.243 61.300 -0.022 0.000 1.017 15 I CB 2.480 40.328 38.000 -0.253 0.000 1.226 15 I HN -0.369 7.841 8.210 -0.000 0.000 0.443 16 L N 3.906 125.170 121.223 0.067 0.000 2.431 16 L HA 0.514 4.867 4.340 0.021 0.000 0.266 16 L C -0.920 176.012 176.870 0.104 0.000 0.978 16 L CA -0.767 54.106 54.840 0.054 0.000 0.822 16 L CB 2.309 44.384 42.059 0.027 0.000 1.310 16 L HN 0.573 8.803 8.230 -0.000 0.000 0.409 17 L N 3.336 124.602 121.223 0.071 0.000 2.367 17 L HA 0.264 4.617 4.340 0.021 0.000 0.275 17 L C -0.202 176.703 176.870 0.058 0.000 1.129 17 L CA -0.541 54.358 54.840 0.099 0.000 0.839 17 L CB 1.137 43.242 42.059 0.077 0.000 1.133 17 L HN 0.263 8.493 8.230 -0.000 0.000 0.453 18 V N 4.786 124.750 119.914 0.083 0.000 2.432 18 V HA 0.204 4.337 4.120 0.021 0.000 0.271 18 V C -1.915 174.222 176.094 0.071 0.000 1.046 18 V CA -1.626 60.710 62.300 0.059 0.000 0.945 18 V CB 0.730 32.585 31.823 0.054 0.000 0.992 18 V HN 0.622 8.812 8.190 -0.000 0.000 0.471 19 P HA 0.212 4.632 4.420 -0.000 0.000 0.269 19 P C -0.630 176.740 177.300 0.116 0.000 1.209 19 P CA -0.091 63.089 63.100 0.132 0.000 0.776 19 P CB 0.578 32.390 31.700 0.186 0.000 0.876 20 N N 0.562 119.333 118.700 0.118 0.000 2.619 20 N HA 0.192 4.945 4.740 0.021 0.000 0.294 20 N C -0.754 174.834 175.510 0.130 0.000 1.279 20 N CA -0.603 52.518 53.050 0.118 0.000 0.867 20 N CB 0.116 38.667 38.487 0.106 0.000 1.329 20 N HN 0.362 8.742 8.380 -0.000 0.000 0.557 21 Y N 0.675 120.995 120.300 0.034 0.000 2.712 21 Y HA 0.088 4.651 4.550 0.021 0.000 0.333 21 Y C 0.208 176.117 175.900 0.016 0.000 1.225 21 Y CA 0.487 58.600 58.100 0.022 0.000 1.499 21 Y CB 0.306 38.775 38.460 0.015 0.000 1.288 21 Y HN 0.311 8.591 8.280 -0.000 0.000 0.575 22 S N 4.551 119.814 115.700 -0.730 0.000 2.521 22 S HA 0.384 4.867 4.470 0.021 0.000 0.295 22 S C -0.175 173.990 174.600 -0.726 0.000 1.098 22 S CA -0.655 57.214 58.200 -0.552 0.000 0.999 22 S CB 1.026 64.053 63.200 -0.288 0.000 1.034 22 S HN 0.866 9.176 8.310 -0.000 0.000 0.483 23 E N 2.113 122.052 120.200 -0.436 0.000 2.583 23 E HA 0.210 4.573 4.350 0.021 0.000 0.213 23 E C -0.814 175.693 176.600 -0.154 0.000 0.989 23 E CA 0.060 56.302 56.400 -0.263 0.000 0.991 23 E CB 1.185 30.804 29.700 -0.135 0.000 1.040 23 E HN 0.416 8.776 8.360 -0.000 0.000 0.481 24 V N 2.030 121.851 119.914 -0.154 0.000 2.459 24 V HA 0.269 4.402 4.120 0.021 0.000 0.295 24 V C -0.185 175.843 176.094 -0.110 0.000 1.029 24 V CA -0.872 61.365 62.300 -0.106 0.000 0.874 24 V CB 1.522 33.294 31.823 -0.084 0.000 0.985 24 V HN 0.065 8.255 8.190 -0.000 0.000 0.438 25 L N 7.123 128.293 121.223 -0.088 0.000 2.395 25 L HA 0.409 4.761 4.340 0.021 0.000 0.269 25 L C -1.274 175.555 176.870 -0.069 0.000 1.133 25 L CA -1.418 53.371 54.840 -0.085 0.000 0.812 25 L CB 0.903 42.922 42.059 -0.067 0.000 1.125 25 L HN 0.365 8.595 8.230 -0.000 0.000 0.452 26 P HA -0.230 4.190 4.420 -0.000 0.000 0.217 26 P C 1.539 178.819 177.300 -0.032 0.000 1.151 26 P CA 2.123 65.196 63.100 -0.046 0.000 0.849 26 P CB 0.125 31.802 31.700 -0.040 0.000 0.787 27 R N 0.546 121.028 120.500 -0.030 0.000 2.148 27 R HA -0.104 4.249 4.340 0.021 0.000 0.227 27 R C 1.745 178.031 176.300 -0.023 0.000 1.103 27 R CA 1.571 57.660 56.100 -0.019 0.000 0.983 27 R CB -1.765 28.526 30.300 -0.015 0.000 0.874 27 R HN 0.414 8.684 8.270 -0.000 0.000 0.451 28 E N 0.004 120.185 120.200 -0.032 0.000 2.394 28 E HA 0.188 4.551 4.350 0.021 0.000 0.191 28 E C -0.789 175.789 176.600 -0.037 0.000 1.044 28 E CA -0.329 56.051 56.400 -0.033 0.000 0.939 28 E CB 0.802 30.481 29.700 -0.036 0.000 1.089 28 E HN 0.298 8.658 8.360 -0.000 0.000 0.456 29 V N 1.322 121.214 119.914 -0.038 0.000 2.439 29 V HA 0.104 4.237 4.120 0.021 0.000 0.282 29 V C 0.269 176.336 176.094 -0.045 0.000 1.039 29 V CA -0.597 61.678 62.300 -0.042 0.000 0.913 29 V CB 1.641 33.440 31.823 -0.040 0.000 0.983 29 V HN 0.054 8.244 8.190 -0.000 0.000 0.460 30 S N 4.721 120.390 115.700 -0.052 0.000 2.439 30 S HA 0.414 4.897 4.470 0.021 0.000 0.282 30 S C 0.580 175.139 174.600 -0.069 0.000 1.170 30 S CA -0.586 57.581 58.200 -0.056 0.000 1.054 30 S CB 0.187 63.352 63.200 -0.058 0.000 0.956 30 S HN 0.623 8.933 8.310 -0.000 0.000 0.490 31 L N 3.217 124.401 121.223 -0.065 0.000 2.607 31 L HA 0.299 4.652 4.340 0.021 0.000 0.228 31 L C 1.455 178.281 176.870 -0.072 0.000 1.123 31 L CA -0.119 54.679 54.840 -0.071 0.000 0.890 31 L CB -0.825 41.195 42.059 -0.066 0.000 1.103 31 L HN 0.773 9.003 8.230 -0.000 0.000 0.468 32 E N 0.980 121.138 120.200 -0.069 0.000 2.465 32 E HA 0.292 4.655 4.350 0.021 0.000 0.260 32 E C 0.074 176.627 176.600 -0.077 0.000 0.980 32 E CA 0.552 56.915 56.400 -0.062 0.000 0.927 32 E CB 0.663 30.331 29.700 -0.053 0.000 0.934 32 E HN 0.120 8.480 8.360 -0.000 0.000 0.459 33 T N 1.249 115.769 114.554 -0.056 0.000 2.816 33 T HA 0.516 4.879 4.350 0.021 0.000 0.299 33 T C -0.927 173.764 174.700 -0.015 0.000 1.230 33 T CA -0.702 61.365 62.100 -0.054 0.000 1.007 33 T CB 1.230 70.072 68.868 -0.044 0.000 1.289 33 T HN 0.469 8.709 8.240 -0.000 0.000 0.508 34 K N 2.367 122.773 120.400 0.010 0.000 2.227 34 K HA 0.401 4.734 4.320 0.021 0.000 0.280 34 K C 0.511 177.145 176.600 0.056 0.000 1.041 34 K CA -0.515 55.796 56.287 0.039 0.000 0.905 34 K CB 1.209 33.749 32.500 0.066 0.000 1.068 34 K HN 0.377 8.627 8.250 -0.000 0.000 0.470 35 L N 3.337 124.585 121.223 0.042 0.000 2.130 35 L HA 0.075 4.428 4.340 0.021 0.000 0.200 35 L C 0.812 177.711 176.870 0.048 0.000 1.075 35 L CA 1.514 56.380 54.840 0.043 0.000 0.768 35 L CB 0.069 42.146 42.059 0.029 0.000 0.933 35 L HN 0.834 9.064 8.230 -0.000 0.000 0.451 36 T N -5.274 109.305 114.554 0.041 0.000 2.724 36 T HA 0.470 4.833 4.350 0.021 0.000 0.274 36 T C 1.116 175.842 174.700 0.044 0.000 0.984 36 T CA -0.072 62.052 62.100 0.040 0.000 1.024 36 T CB 0.895 69.780 68.868 0.028 0.000 1.320 36 T HN 0.045 8.285 8.240 -0.000 0.000 0.555 37 K N 0.496 120.921 120.400 0.041 0.000 2.160 37 K HA -0.096 4.237 4.320 0.021 0.000 0.206 37 K C 1.659 178.280 176.600 0.036 0.000 1.047 37 K CA 2.154 58.468 56.287 0.044 0.000 0.930 37 K CB -1.192 31.332 32.500 0.040 0.000 0.720 37 K HN 0.696 8.946 8.250 -0.000 0.000 0.450 38 N N -1.059 117.658 118.700 0.028 0.000 2.257 38 N HA 0.121 4.874 4.740 0.021 0.000 0.200 38 N C -0.422 175.099 175.510 0.019 0.000 1.163 38 N CA 0.256 53.320 53.050 0.022 0.000 0.891 38 N CB 1.054 39.552 38.487 0.018 0.000 1.067 38 N HN 0.230 8.610 8.380 -0.000 0.000 0.497 39 V N 1.585 121.511 119.914 0.020 0.000 2.547 39 V HA 0.563 4.696 4.120 0.021 0.000 0.299 39 V C 0.226 176.331 176.094 0.018 0.000 1.040 39 V CA -0.704 61.607 62.300 0.017 0.000 0.913 39 V CB 1.658 33.491 31.823 0.016 0.000 0.992 39 V HN 0.232 8.422 8.190 -0.000 0.000 0.449 40 S N 4.685 120.392 115.700 0.012 0.000 2.595 40 S HA 0.891 5.374 4.470 0.021 0.000 0.281 40 S C -1.208 173.393 174.600 0.001 0.000 1.117 40 S CA -0.815 57.390 58.200 0.008 0.000 0.873 40 S CB 1.879 65.081 63.200 0.003 0.000 1.108 40 S HN 0.483 8.793 8.310 -0.000 0.000 0.477 41 L N 1.350 122.571 121.223 -0.005 0.000 2.333 41 L HA 0.617 4.970 4.340 0.021 0.000 0.263 41 L C 0.616 177.473 176.870 -0.023 0.000 1.014 41 L CA -1.102 53.731 54.840 -0.011 0.000 0.820 41 L CB 1.822 43.876 42.059 -0.008 0.000 1.352 41 L HN 0.623 8.853 8.230 -0.000 0.000 0.421 42 K N 1.201 121.584 120.400 -0.029 0.000 2.262 42 K HA 0.283 4.616 4.320 0.021 0.000 0.200 42 K C 0.169 176.738 176.600 -0.051 0.000 1.049 42 K CA 0.776 57.040 56.287 -0.038 0.000 0.979 42 K CB 0.330 32.809 32.500 -0.036 0.000 0.773 42 K HN 0.597 8.847 8.250 -0.000 0.000 0.474 43 I N -1.436 119.102 120.570 -0.053 0.000 2.608 43 I HA 0.375 4.558 4.170 0.021 0.000 0.295 43 I C -2.595 173.497 176.117 -0.043 0.000 1.049 43 I CA -2.665 58.598 61.300 -0.061 0.000 1.063 43 I CB 2.739 40.685 38.000 -0.090 0.000 1.248 43 I HN -0.276 7.934 8.210 -0.000 0.000 0.424 44 P HA 0.336 4.756 4.420 -0.000 0.000 0.214 44 P C -0.957 176.338 177.300 -0.009 0.000 1.807 44 P CA 0.081 63.173 63.100 -0.013 0.000 0.921 44 P CB -0.144 31.554 31.700 -0.004 0.000 1.835 45 L N 1.187 122.399 121.223 -0.019 0.000 2.385 45 L HA 0.579 4.932 4.340 0.021 0.000 0.273 45 L C 0.110 176.974 176.870 -0.010 0.000 0.990 45 L CA -0.945 53.884 54.840 -0.020 0.000 0.821 45 L CB 2.362 44.397 42.059 -0.040 0.000 1.279 45 L HN -0.079 8.151 8.230 -0.000 0.000 0.412 46 I N 1.607 122.177 120.570 -0.000 0.000 2.509 46 I HA 0.326 4.509 4.170 0.021 0.000 0.293 46 I C 0.098 176.220 176.117 0.009 0.000 1.020 46 I CA -0.535 60.770 61.300 0.009 0.000 1.088 46 I CB 2.384 40.397 38.000 0.021 0.000 1.267 46 I HN 0.589 8.799 8.210 -0.000 0.000 0.430 47 S N 3.473 119.180 115.700 0.012 0.000 2.513 47 S HA 0.404 4.887 4.470 0.021 0.000 0.276 47 S C 0.058 174.680 174.600 0.037 0.000 1.254 47 S CA -0.704 57.505 58.200 0.016 0.000 1.053 47 S CB 1.220 64.427 63.200 0.013 0.000 0.958 47 S HN 0.546 8.856 8.310 -0.000 0.000 0.491 48 S N 1.955 117.682 115.700 0.045 0.000 2.563 48 S HA 0.305 4.788 4.470 0.021 0.000 0.284 48 S C 0.831 175.482 174.600 0.084 0.000 1.331 48 S CA -0.031 58.209 58.200 0.065 0.000 1.047 48 S CB 0.196 63.445 63.200 0.081 0.000 0.859 48 S HN 1.102 9.412 8.310 -0.000 0.000 0.514 49 A N 4.034 126.907 122.820 0.088 0.000 3.063 49 A HA 0.434 4.766 4.320 0.021 0.000 0.263 49 A C 0.023 177.689 177.584 0.135 0.000 1.736 49 A CA -0.116 51.992 52.037 0.118 0.000 1.408 49 A CB -0.780 18.278 19.000 0.097 0.000 1.108 49 A HN 0.733 8.883 8.150 -0.000 0.000 0.621 50 M N 0.554 120.224 119.600 0.117 0.000 2.464 50 M HA 0.239 4.732 4.480 0.021 0.000 0.308 50 M C 0.147 176.361 176.300 -0.143 0.000 1.127 50 M CA -0.782 54.536 55.300 0.029 0.000 0.913 50 M CB 2.169 34.808 32.600 0.065 0.000 1.689 50 M HN 0.488 8.778 8.290 -0.000 0.000 0.445 51 D N -0.685 119.451 120.400 -0.440 0.000 2.390 51 D HA -0.087 4.566 4.640 0.021 0.000 0.235 51 D C 1.089 177.205 176.300 -0.307 0.000 1.040 51 D CA 0.837 54.273 54.000 -0.940 0.000 0.923 51 D CB -0.121 40.216 40.800 -0.772 0.000 0.886 51 D HN 0.607 8.977 8.370 -0.000 0.000 0.532 52 T N -1.381 113.124 114.554 -0.082 0.000 3.058 52 T HA 0.177 4.540 4.350 0.021 0.000 0.278 52 T C 1.121 175.893 174.700 0.121 0.000 0.974 52 T CA 0.483 62.629 62.100 0.076 0.000 0.893 52 T CB 0.125 69.097 68.868 0.172 0.000 1.138 52 T HN 0.093 8.333 8.240 -0.000 0.000 0.529 53 V N -1.982 117.986 119.914 0.090 0.000 3.058 53 V HA 0.511 4.644 4.120 0.021 0.000 0.233 53 V C 0.522 176.656 176.094 0.067 0.000 1.255 53 V CA 0.202 62.545 62.300 0.072 0.000 1.267 53 V CB 0.549 32.415 31.823 0.072 0.000 1.049 53 V HN 0.239 8.428 8.190 -0.000 0.000 0.486 54 T N 2.096 116.714 114.554 0.107 0.000 2.864 54 T HA 0.663 5.026 4.350 0.021 0.000 0.310 54 T C -0.516 174.305 174.700 0.201 0.000 1.040 54 T CA -0.177 61.995 62.100 0.121 0.000 0.977 54 T CB 1.902 70.832 68.868 0.103 0.000 0.976 54 T HN 0.582 8.822 8.240 -0.000 0.000 0.459 55 E N 0.847 121.126 120.200 0.131 0.000 2.549 55 E HA 0.290 4.653 4.350 0.021 0.000 0.200 55 E C 1.252 177.893 176.600 0.068 0.000 0.732 55 E CA -0.909 55.568 56.400 0.129 0.000 0.987 55 E CB 0.669 30.469 29.700 0.167 0.000 1.810 55 E HN 0.722 9.082 8.360 -0.000 0.000 0.377 56 H N 0.904 119.998 119.070 0.041 0.000 2.321 56 H HA -0.057 4.512 4.556 0.022 0.000 0.300 56 H C 1.937 177.284 175.328 0.031 0.000 1.087 56 H CA 1.363 57.428 56.048 0.028 0.000 1.319 56 H CB -0.379 29.395 29.762 0.019 0.000 1.379 56 H HN 0.291 8.571 8.280 -0.000 0.000 0.501 57 L N -0.189 120.667 121.223 -0.611 0.000 2.046 57 L HA -0.183 4.170 4.340 0.021 0.000 0.208 57 L C 3.001 179.799 176.870 -0.119 0.000 1.077 57 L CA 1.564 56.205 54.840 -0.331 0.000 0.747 57 L CB -0.305 41.547 42.059 -0.345 0.000 0.896 57 L HN 0.265 8.495 8.230 -0.000 0.000 0.432 58 M N -0.367 119.181 119.600 -0.086 0.000 2.099 58 M HA -0.117 4.376 4.480 0.021 0.000 0.262 58 M C 2.250 178.546 176.300 -0.007 0.000 1.067 58 M CA 2.107 57.390 55.300 -0.029 0.000 1.124 58 M CB -0.462 32.135 32.600 -0.005 0.000 1.353 58 M HN 0.155 8.445 8.290 -0.000 0.000 0.410 59 A N -0.875 121.950 122.820 0.008 0.000 1.933 59 A HA -0.093 4.240 4.320 0.021 0.000 0.218 59 A C 2.194 179.791 177.584 0.022 0.000 1.175 59 A CA 1.970 54.022 52.037 0.024 0.000 0.628 59 A CB -1.276 17.751 19.000 0.044 0.000 0.814 59 A HN 0.393 8.543 8.150 -0.000 0.000 0.444 60 V N -0.175 119.753 119.914 0.024 0.000 2.261 60 V HA -0.182 3.951 4.120 0.021 0.000 0.246 60 V C 2.843 178.947 176.094 0.016 0.000 1.047 60 V CA 2.058 64.376 62.300 0.029 0.000 1.015 60 V CB -1.414 30.436 31.823 0.044 0.000 0.642 60 V HN 0.607 8.797 8.190 -0.000 0.000 0.446 61 G N -0.771 108.033 108.800 0.006 0.000 2.418 61 G HA2 -0.257 3.716 3.960 0.021 0.000 0.217 61 G HA3 -0.257 3.716 3.960 0.021 0.000 0.217 61 G C 1.557 176.458 174.900 0.002 0.000 1.158 61 G CA 1.025 46.129 45.100 0.006 0.000 0.771 61 G HN 0.284 8.574 8.290 -0.000 0.000 0.545 62 M N 1.153 120.752 119.600 -0.003 0.000 2.080 62 M HA -0.011 4.482 4.480 0.021 0.000 0.260 62 M C 3.038 179.333 176.300 -0.009 0.000 1.068 62 M CA 1.537 56.832 55.300 -0.010 0.000 1.109 62 M CB -1.242 31.356 32.600 -0.005 0.000 1.342 62 M HN 0.328 8.618 8.290 -0.000 0.000 0.405 63 A N -0.604 122.216 122.820 0.001 0.000 1.930 63 A HA -0.168 4.165 4.320 0.021 0.000 0.217 63 A C 2.301 179.885 177.584 0.000 0.000 1.175 63 A CA 1.661 53.699 52.037 0.002 0.000 0.627 63 A CB -0.701 18.305 19.000 0.010 0.000 0.815 63 A HN 0.471 8.621 8.150 -0.000 0.000 0.443 64 R N -0.722 119.782 120.500 0.006 0.000 2.237 64 R HA 0.070 4.423 4.340 0.021 0.000 0.219 64 R C 0.902 177.206 176.300 0.005 0.000 1.080 64 R CA 0.858 56.964 56.100 0.011 0.000 0.995 64 R CB -0.215 30.098 30.300 0.020 0.000 0.875 64 R HN 0.528 8.798 8.270 -0.000 0.000 0.462 65 L N -1.571 119.644 121.223 -0.013 0.000 2.728 65 L HA 0.346 4.699 4.340 0.021 0.000 0.238 65 L C 0.935 177.764 176.870 -0.068 0.000 1.143 65 L CA 0.321 55.133 54.840 -0.047 0.000 0.937 65 L CB 1.126 43.140 42.059 -0.075 0.000 1.225 65 L HN 0.430 8.660 8.230 -0.000 0.000 0.507 66 G N -0.339 108.436 108.800 -0.042 0.000 2.179 66 G HA2 -0.199 3.774 3.960 0.021 0.000 0.220 66 G HA3 -0.199 3.774 3.960 0.021 0.000 0.220 66 G C 0.449 175.327 174.900 -0.036 0.000 0.990 66 G CA -0.203 44.873 45.100 -0.041 0.000 0.646 66 G HN 0.475 8.765 8.290 -0.000 0.000 0.517 67 G N -0.877 107.903 108.800 -0.034 0.000 2.940 67 G HA2 0.798 4.771 3.960 0.021 0.000 0.164 67 G HA3 0.798 4.771 3.960 0.021 0.000 0.164 67 G C -0.410 174.484 174.900 -0.010 0.000 1.326 67 G CA -0.209 44.877 45.100 -0.024 0.000 1.020 67 G HN 1.087 9.377 8.290 -0.000 0.000 0.586 68 I N -1.476 119.092 120.570 -0.003 0.000 2.908 68 I HA 0.604 4.787 4.170 0.021 0.000 0.300 68 I C -0.471 175.653 176.117 0.011 0.000 1.385 68 I CA -0.880 60.424 61.300 0.006 0.000 1.004 68 I CB 2.222 40.228 38.000 0.011 0.000 1.309 68 I HN 0.738 8.948 8.210 -0.000 0.000 0.449 69 G N 6.403 115.214 108.800 0.018 0.000 2.416 69 G HA2 0.636 4.609 3.960 0.021 0.000 0.329 69 G HA3 0.636 4.609 3.960 0.021 0.000 0.329 69 G C -1.109 173.811 174.900 0.033 0.000 1.173 69 G CA -0.426 44.690 45.100 0.027 0.000 0.929 69 G HN 0.331 8.621 8.290 -0.000 0.000 0.475 70 I N 3.441 124.037 120.570 0.043 0.000 2.354 70 I HA 0.231 4.414 4.170 0.021 0.000 0.286 70 I C 0.025 176.179 176.117 0.062 0.000 1.007 70 I CA -1.056 60.272 61.300 0.046 0.000 1.167 70 I CB 1.276 39.304 38.000 0.048 0.000 1.320 70 I HN 0.220 8.430 8.210 -0.000 0.000 0.458 71 I N 6.283 126.877 120.570 0.040 0.000 2.598 71 I HA -0.023 4.160 4.170 0.021 0.000 0.284 71 I C 0.936 177.056 176.117 0.006 0.000 1.140 71 I CA -0.028 61.281 61.300 0.014 0.000 1.420 71 I CB -0.515 37.465 38.000 -0.034 0.000 1.387 71 I HN 0.625 8.835 8.210 -0.000 0.000 0.553 72 H N 5.711 124.806 119.070 0.041 0.000 2.757 72 H HA 0.208 4.777 4.556 0.022 0.000 0.370 72 H C 0.638 175.986 175.328 0.034 0.000 1.172 72 H CA -0.604 55.467 56.048 0.039 0.000 1.426 72 H CB 0.551 30.340 29.762 0.044 0.000 1.438 72 H HN 0.572 8.852 8.280 -0.000 0.000 0.612 73 K N 1.007 121.475 120.400 0.113 0.000 2.387 73 K HA 0.036 4.369 4.320 0.021 0.000 0.198 73 K C 0.140 176.809 176.600 0.114 0.000 1.022 73 K CA -0.022 56.294 56.287 0.048 0.000 1.128 73 K CB 0.095 32.623 32.500 0.046 0.000 0.853 73 K HN 0.404 8.654 8.250 -0.000 0.000 0.523 74 N N 2.424 121.322 118.700 0.330 0.000 3.243 74 N HA 0.107 4.860 4.740 0.021 0.000 0.310 74 N C -0.924 174.727 175.510 0.235 0.000 1.313 74 N CA -0.095 53.118 53.050 0.271 0.000 1.204 74 N CB -0.237 38.384 38.487 0.223 0.000 1.483 74 N HN 0.432 8.812 8.380 -0.000 0.000 0.553 75 M N -2.294 117.365 119.600 0.098 0.000 2.895 75 M HA 0.347 4.840 4.480 0.021 0.000 0.271 75 M C -1.402 174.906 176.300 0.013 0.000 1.174 75 M CA -1.195 54.134 55.300 0.049 0.000 0.816 75 M CB 1.146 33.746 32.600 0.001 0.000 1.647 75 M HN -0.101 8.189 8.290 -0.000 0.000 0.506 76 D N 1.163 121.568 120.400 0.009 0.000 2.360 76 D HA 0.193 4.846 4.640 0.021 0.000 0.242 76 D C 0.504 176.797 176.300 -0.011 0.000 1.184 76 D CA -0.293 53.708 54.000 0.001 0.000 0.930 76 D CB 1.162 41.964 40.800 0.003 0.000 1.161 76 D HN 0.870 9.240 8.370 -0.000 0.000 0.447 77 M N 0.151 119.746 119.600 -0.009 0.000 2.108 77 M HA -0.169 4.324 4.480 0.021 0.000 0.261 77 M C 2.015 178.304 176.300 -0.018 0.000 1.066 77 M CA 1.684 56.976 55.300 -0.014 0.000 1.107 77 M CB -0.326 32.269 32.600 -0.008 0.000 1.356 77 M HN 0.500 8.790 8.290 -0.000 0.000 0.406 78 E N -0.369 119.823 120.200 -0.014 0.000 2.204 78 E HA -0.111 4.252 4.350 0.021 0.000 0.194 78 E C 2.094 178.681 176.600 -0.021 0.000 0.989 78 E CA 1.061 57.452 56.400 -0.016 0.000 0.824 78 E CB 0.017 29.710 29.700 -0.012 0.000 0.756 78 E HN 0.415 8.775 8.360 -0.000 0.000 0.477 79 S N 0.850 116.537 115.700 -0.022 0.000 2.368 79 S HA -0.181 4.302 4.470 0.021 0.000 0.224 79 S C 1.949 176.523 174.600 -0.043 0.000 1.029 79 S CA 0.877 59.061 58.200 -0.026 0.000 0.988 79 S CB -0.091 63.099 63.200 -0.017 0.000 0.838 79 S HN 0.260 8.570 8.310 -0.000 0.000 0.462 80 Q N 0.599 120.366 119.800 -0.055 0.000 2.079 80 Q HA -0.086 4.267 4.340 0.021 0.000 0.200 80 Q C 2.106 178.079 176.000 -0.044 0.000 0.974 80 Q CA 1.229 56.990 55.803 -0.070 0.000 0.840 80 Q CB -0.115 28.578 28.738 -0.074 0.000 0.898 80 Q HN 0.345 8.615 8.270 -0.000 0.000 0.430 81 V N 1.284 121.179 119.914 -0.033 0.000 2.287 81 V HA -0.312 3.821 4.120 0.021 0.000 0.248 81 V C 1.668 177.745 176.094 -0.028 0.000 1.053 81 V CA 2.242 64.528 62.300 -0.025 0.000 1.027 81 V CB -0.738 31.073 31.823 -0.020 0.000 0.646 81 V HN 0.461 8.651 8.190 -0.000 0.000 0.447 82 N N -0.441 118.238 118.700 -0.035 0.000 2.149 82 N HA -0.181 4.572 4.740 0.021 0.000 0.188 82 N C 1.840 177.312 175.510 -0.064 0.000 1.019 82 N CA 1.233 54.253 53.050 -0.050 0.000 0.857 82 N CB -0.072 38.383 38.487 -0.053 0.000 0.997 82 N HN 0.462 8.842 8.380 -0.000 0.000 0.426 83 E N 0.352 120.526 120.200 -0.042 0.000 2.072 83 E HA -0.085 4.277 4.350 0.021 0.000 0.191 83 E C 2.186 178.795 176.600 0.014 0.000 0.985 83 E CA 0.622 57.018 56.400 -0.006 0.000 0.801 83 E CB -0.419 29.293 29.700 0.021 0.000 0.750 83 E HN 0.201 8.561 8.360 -0.000 0.000 0.452 84 V N 1.653 121.566 119.914 -0.001 0.000 2.343 84 V HA -0.226 3.907 4.120 0.021 0.000 0.247 84 V C 2.515 178.610 176.094 0.002 0.000 1.051 84 V CA 1.332 63.635 62.300 0.005 0.000 1.036 84 V CB -0.501 31.321 31.823 -0.003 0.000 0.654 84 V HN 0.183 8.373 8.190 -0.000 0.000 0.451 85 L N -0.710 120.505 121.223 -0.014 0.000 2.093 85 L HA -0.149 4.204 4.340 0.021 0.000 0.208 85 L C 2.543 179.400 176.870 -0.022 0.000 1.085 85 L CA 1.486 56.316 54.840 -0.018 0.000 0.755 85 L CB -0.544 41.499 42.059 -0.026 0.000 0.904 85 L HN 0.257 8.487 8.230 -0.000 0.000 0.435 86 K N -0.385 119.988 120.400 -0.046 0.000 2.147 86 K HA -0.127 4.206 4.320 0.021 0.000 0.205 86 K C 1.994 178.607 176.600 0.022 0.000 1.049 86 K CA 1.008 57.257 56.287 -0.063 0.000 0.936 86 K CB -0.075 32.283 32.500 -0.237 0.000 0.722 86 K HN 0.118 8.368 8.250 -0.000 0.000 0.446 87 V N 1.595 121.538 119.914 0.048 0.000 2.453 87 V HA -0.198 3.935 4.120 0.021 0.000 0.247 87 V C 2.035 178.150 176.094 0.035 0.000 1.048 87 V CA 1.481 63.818 62.300 0.062 0.000 1.049 87 V CB -0.283 31.576 31.823 0.059 0.000 0.672 87 V HN 0.209 8.399 8.190 -0.000 0.000 0.457 88 K N 0.414 120.826 120.400 0.020 0.000 2.211 88 K HA -0.085 4.248 4.320 0.021 0.000 0.203 88 K C 1.794 178.401 176.600 0.011 0.000 1.050 88 K CA 1.162 57.457 56.287 0.013 0.000 0.945 88 K CB -0.622 31.881 32.500 0.006 0.000 0.732 88 K HN 0.592 8.842 8.250 -0.000 0.000 0.451 89 N N 0.777 119.483 118.700 0.009 0.000 2.309 89 N HA -0.089 4.664 4.740 0.021 0.000 0.182 89 N C 0.365 175.884 175.510 0.015 0.000 1.018 89 N CA 0.766 53.820 53.050 0.007 0.000 0.876 89 N CB 0.096 38.582 38.487 -0.001 0.000 0.972 89 N HN 0.068 8.448 8.380 -0.000 0.000 0.434 90 S N 0.388 116.103 115.700 0.025 0.000 2.945 90 S HA 0.531 5.014 4.470 0.021 0.000 0.227 90 S C 0.446 175.061 174.600 0.024 0.000 1.353 90 S CA -0.396 57.821 58.200 0.029 0.000 1.236 90 S CB 0.263 63.490 63.200 0.044 0.000 1.069 90 S HN 0.426 8.736 8.310 -0.000 0.000 0.509 91 G N 0.074 108.885 108.800 0.018 0.000 2.662 91 G HA2 0.291 4.264 3.960 0.021 0.000 0.686 91 G HA3 0.291 4.264 3.960 0.021 0.000 0.686 91 G C 0.044 174.952 174.900 0.014 0.000 1.271 91 G CA -0.683 44.426 45.100 0.015 0.000 0.816 91 G HN 0.974 9.264 8.290 -0.000 0.000 0.608 136 R N 1.249 121.756 120.500 0.012 0.000 2.594 136 R HA 0.650 5.003 4.340 0.021 0.000 0.272 136 R C -0.627 175.682 176.300 0.015 0.000 1.074 136 R CA -0.341 55.766 56.100 0.012 0.000 1.105 136 R CB 1.810 32.115 30.300 0.009 0.000 1.008 136 R HN 0.392 8.662 8.270 -0.000 0.000 0.472 137 V N 0.526 120.449 119.914 0.016 0.000 3.077 137 V HA 0.644 4.777 4.120 0.021 0.000 0.299 137 V C -0.570 175.535 176.094 0.017 0.000 1.276 137 V CA -0.496 61.816 62.300 0.019 0.000 0.993 137 V CB 2.428 34.265 31.823 0.024 0.000 1.076 137 V HN 0.914 9.104 8.190 -0.000 0.000 0.434 138 G N 2.930 111.742 108.800 0.019 0.000 2.537 138 G HA2 0.951 4.923 3.960 0.021 0.000 0.323 138 G HA3 0.951 4.923 3.960 0.021 0.000 0.323 138 G C -0.870 174.040 174.900 0.017 0.000 1.207 138 G CA -0.266 44.845 45.100 0.018 0.000 0.976 138 G HN 1.599 9.889 8.290 -0.000 0.000 0.487 139 A N -0.819 122.009 122.820 0.014 0.000 2.455 139 A HA 0.842 5.175 4.320 0.021 0.000 0.300 139 A C -0.046 177.547 177.584 0.014 0.000 1.040 139 A CA -0.020 52.023 52.037 0.009 0.000 0.697 139 A CB 1.405 20.403 19.000 -0.003 0.000 1.265 139 A HN 1.932 10.082 8.150 -0.000 0.000 0.407 140 A N 1.516 124.348 122.820 0.020 0.000 2.340 140 A HA 0.776 5.109 4.320 0.021 0.000 0.268 140 A C -0.333 177.263 177.584 0.020 0.000 1.100 140 A CA -0.090 51.965 52.037 0.029 0.000 0.803 140 A CB 0.154 19.186 19.000 0.053 0.000 1.043 140 A HN 0.896 9.046 8.150 -0.000 0.000 0.488 141 I N 0.524 121.106 120.570 0.021 0.000 2.722 141 I HA 0.497 4.680 4.170 0.021 0.000 0.295 141 I C 0.683 176.811 176.117 0.019 0.000 1.161 141 I CA -0.416 60.893 61.300 0.016 0.000 1.032 141 I CB 2.519 40.525 38.000 0.009 0.000 1.244 141 I HN 0.810 9.020 8.210 -0.000 0.000 0.421 142 G N 3.765 112.576 108.800 0.018 0.000 2.535 142 G HA2 0.556 4.529 3.960 0.021 0.000 0.303 142 G HA3 0.556 4.529 3.960 0.021 0.000 0.303 142 G C -0.414 174.493 174.900 0.012 0.000 1.237 142 G CA -0.552 44.559 45.100 0.018 0.000 0.986 142 G HN 0.392 8.682 8.290 -0.000 0.000 0.494 143 V N 0.716 120.637 119.914 0.012 0.000 2.673 143 V HA 0.058 4.191 4.120 0.021 0.000 0.303 143 V C 1.040 177.137 176.094 0.006 0.000 1.046 143 V CA 0.780 63.085 62.300 0.007 0.000 1.126 143 V CB 0.114 31.942 31.823 0.007 0.000 0.934 143 V HN 1.019 9.209 8.190 -0.000 0.000 0.487 144 N N 0.855 119.557 118.700 0.003 0.000 2.857 144 N HA -0.209 4.544 4.740 0.021 0.000 0.242 144 N C 0.139 175.651 175.510 0.003 0.000 0.983 144 N CA 1.325 54.376 53.050 0.002 0.000 0.934 144 N CB -0.783 37.705 38.487 0.002 0.000 1.115 144 N HN 0.919 9.299 8.380 -0.000 0.000 0.593 145 E N 0.754 120.956 120.200 0.004 0.000 1.999 145 E HA 0.027 4.390 4.350 0.021 0.000 0.296 145 E C 0.872 177.473 176.600 0.002 0.000 1.187 145 E CA -0.207 56.195 56.400 0.004 0.000 1.229 145 E CB 0.183 29.887 29.700 0.006 0.000 1.131 145 E HN 0.351 8.711 8.360 -0.000 0.000 0.478 146 I N 0.852 121.422 120.570 0.001 0.000 2.333 146 I HA -0.189 3.993 4.170 0.021 0.000 0.246 146 I C 2.347 178.463 176.117 -0.000 0.000 1.106 146 I CA 1.056 62.356 61.300 0.000 0.000 1.411 146 I CB -0.780 37.220 38.000 -0.000 0.000 1.082 146 I HN 0.406 8.616 8.210 -0.000 0.000 0.420 147 E N 1.595 121.795 120.200 -0.000 0.000 2.070 147 E HA -0.278 4.085 4.350 0.021 0.000 0.197 147 E C 2.432 179.031 176.600 -0.002 0.000 1.004 147 E CA 1.673 58.072 56.400 -0.001 0.000 0.805 147 E CB -0.143 29.557 29.700 -0.001 0.000 0.744 147 E HN 0.233 8.593 8.360 -0.000 0.000 0.451 148 R N -0.434 120.065 120.500 -0.001 0.000 2.091 148 R HA -0.170 4.183 4.340 0.021 0.000 0.238 148 R C 2.245 178.543 176.300 -0.003 0.000 1.136 148 R CA 1.434 57.533 56.100 -0.003 0.000 0.959 148 R CB -0.363 29.936 30.300 -0.001 0.000 0.856 148 R HN 0.301 8.571 8.270 -0.000 0.000 0.437 149 A N 0.636 123.456 122.820 -0.001 0.000 1.898 149 A HA -0.155 4.177 4.320 0.021 0.000 0.216 149 A C 2.370 179.953 177.584 -0.002 0.000 1.181 149 A CA 2.187 54.223 52.037 -0.001 0.000 0.620 149 A CB -0.779 18.221 19.000 -0.000 0.000 0.819 149 A HN 0.473 8.623 8.150 -0.000 0.000 0.442 150 K N 0.031 120.430 120.400 -0.002 0.000 2.097 150 K HA 0.093 4.425 4.320 0.021 0.000 0.206 150 K C 1.914 178.513 176.600 -0.003 0.000 1.049 150 K CA 1.545 57.831 56.287 -0.002 0.000 0.933 150 K CB -1.098 31.401 32.500 -0.002 0.000 0.717 150 K HN 0.523 8.773 8.250 -0.000 0.000 0.442 151 L N -0.295 120.925 121.223 -0.004 0.000 2.109 151 L HA -0.050 4.302 4.340 0.021 0.000 0.207 151 L C 2.495 179.361 176.870 -0.006 0.000 1.086 151 L CA 0.370 55.206 54.840 -0.005 0.000 0.760 151 L CB -0.330 41.724 42.059 -0.007 0.000 0.910 151 L HN 0.175 8.405 8.230 -0.000 0.000 0.437 152 L N -0.634 120.586 121.223 -0.006 0.000 2.093 152 L HA -0.131 4.222 4.340 0.021 0.000 0.208 152 L C 2.454 179.322 176.870 -0.003 0.000 1.085 152 L CA 1.380 56.217 54.840 -0.006 0.000 0.755 152 L CB -0.818 41.237 42.059 -0.006 0.000 0.904 152 L HN -0.017 8.213 8.230 -0.000 0.000 0.435 153 V N -0.866 119.047 119.914 -0.002 0.000 2.343 153 V HA -0.250 3.883 4.120 0.021 0.000 0.247 153 V C 2.487 178.580 176.094 -0.001 0.000 1.051 153 V CA 1.344 63.644 62.300 -0.000 0.000 1.036 153 V CB -0.400 31.423 31.823 0.000 0.000 0.654 153 V HN 0.342 8.532 8.190 -0.000 0.000 0.451 154 E N 0.403 120.602 120.200 -0.002 0.000 2.160 154 E HA -0.143 4.220 4.350 0.021 0.000 0.195 154 E C 2.081 178.679 176.600 -0.003 0.000 0.991 154 E CA 1.298 57.696 56.400 -0.003 0.000 0.810 154 E CB -0.439 29.259 29.700 -0.003 0.000 0.742 154 E HN 0.591 8.951 8.360 -0.000 0.000 0.466 155 A N -0.708 122.110 122.820 -0.004 0.000 2.235 155 A HA 0.290 4.623 4.320 0.021 0.000 0.208 155 A C 1.560 179.142 177.584 -0.002 0.000 1.172 155 A CA 0.890 52.924 52.037 -0.005 0.000 0.786 155 A CB -0.459 18.537 19.000 -0.008 0.000 0.804 155 A HN 0.305 8.455 8.150 -0.000 0.000 0.479 156 G N -1.270 107.530 108.800 -0.000 0.000 2.142 156 G HA2 -0.132 3.841 3.960 0.021 0.000 0.225 156 G HA3 -0.132 3.841 3.960 0.021 0.000 0.225 156 G C 0.218 175.121 174.900 0.004 0.000 1.015 156 G CA 0.117 45.218 45.100 0.002 0.000 0.716 156 G HN 1.015 9.305 8.290 -0.000 0.000 0.508 157 V N 0.333 120.249 119.914 0.003 0.000 2.740 157 V HA 0.228 4.361 4.120 0.021 0.000 0.303 157 V C 1.289 177.387 176.094 0.007 0.000 1.054 157 V CA 0.980 63.283 62.300 0.005 0.000 1.106 157 V CB 0.894 32.719 31.823 0.004 0.000 0.957 157 V HN 0.399 8.589 8.190 -0.000 0.000 0.486 158 D N 4.254 124.659 120.400 0.009 0.000 2.301 158 D HA 0.183 4.836 4.640 0.021 0.000 0.206 158 D C 0.279 176.586 176.300 0.011 0.000 0.979 158 D CA 1.345 55.351 54.000 0.010 0.000 0.874 158 D CB 0.977 41.783 40.800 0.011 0.000 0.968 158 D HN 0.535 8.905 8.370 -0.000 0.000 0.510 159 V N 1.217 121.138 119.914 0.012 0.000 2.808 159 V HA 0.340 4.472 4.120 0.021 0.000 0.308 159 V C -0.895 175.205 176.094 0.011 0.000 1.099 159 V CA -0.904 61.404 62.300 0.012 0.000 0.920 159 V CB 2.780 34.613 31.823 0.016 0.000 1.014 159 V HN -0.223 7.967 8.190 -0.000 0.000 0.425 160 I N 5.233 125.809 120.570 0.010 0.000 2.342 160 I HA 0.403 4.586 4.170 0.021 0.000 0.291 160 I C 0.038 176.162 176.117 0.011 0.000 1.010 160 I CA -0.675 60.630 61.300 0.009 0.000 1.308 160 I CB 1.434 39.437 38.000 0.006 0.000 1.400 160 I HN 0.395 8.605 8.210 -0.000 0.000 0.488 161 V N 7.676 127.599 119.914 0.014 0.000 2.304 161 V HA 0.136 4.269 4.120 0.021 0.000 0.269 161 V C 0.199 176.302 176.094 0.016 0.000 1.036 161 V CA -0.696 61.614 62.300 0.017 0.000 0.840 161 V CB 1.276 33.113 31.823 0.025 0.000 1.036 161 V HN 0.403 8.593 8.190 -0.000 0.000 0.466 162 L N 4.916 126.145 121.223 0.010 0.000 2.448 162 L HA 0.372 4.725 4.340 0.021 0.000 0.278 162 L C -0.002 176.875 176.870 0.011 0.000 1.201 162 L CA 0.393 55.238 54.840 0.008 0.000 1.036 162 L CB -0.139 41.921 42.059 0.001 0.000 1.325 162 L HN 0.617 8.847 8.230 -0.000 0.000 0.441 163 D N 2.241 122.652 120.400 0.018 0.000 2.198 163 D HA 0.546 5.199 4.640 0.021 0.000 0.245 163 D C -0.893 175.421 176.300 0.024 0.000 1.079 163 D CA 0.125 54.140 54.000 0.024 0.000 0.854 163 D CB 1.278 42.098 40.800 0.034 0.000 1.148 163 D HN 0.432 8.802 8.370 -0.000 0.000 0.456 164 S N 2.009 117.725 115.700 0.026 0.000 2.537 164 S HA 0.583 5.066 4.470 0.021 0.000 0.270 164 S C 0.603 175.232 174.600 0.050 0.000 1.142 164 S CA -0.056 58.164 58.200 0.034 0.000 0.870 164 S CB 1.178 64.391 63.200 0.023 0.000 1.112 164 S HN 0.447 8.757 8.310 -0.000 0.000 0.466 165 A N 2.109 124.967 122.820 0.063 0.000 1.933 165 A HA 0.014 4.347 4.320 0.021 0.000 0.218 165 A C 0.883 178.552 177.584 0.141 0.000 1.175 165 A CA 1.744 53.828 52.037 0.078 0.000 0.628 165 A CB -0.680 18.358 19.000 0.063 0.000 0.814 165 A HN 0.931 9.081 8.150 -0.000 0.000 0.444 166 H N -1.219 117.862 119.070 0.019 0.000 2.736 166 H HA 0.500 5.069 4.556 0.021 0.000 0.271 166 H C 1.097 176.449 175.328 0.041 0.000 1.184 166 H CA -0.522 55.543 56.048 0.029 0.000 1.378 166 H CB 0.340 30.114 29.762 0.020 0.000 1.428 166 H HN 0.056 8.336 8.280 -0.000 0.000 0.500 167 G N 1.585 110.322 108.800 -0.104 0.000 2.471 167 G HA2 -0.192 3.780 3.960 0.021 0.000 0.219 167 G HA3 -0.192 3.780 3.960 0.021 0.000 0.219 167 G C 0.684 175.486 174.900 -0.164 0.000 1.125 167 G CA 0.101 45.136 45.100 -0.109 0.000 0.775 167 G HN 0.706 8.996 8.290 -0.000 0.000 0.548 168 H N 0.633 119.387 119.070 -0.527 0.000 2.640 168 H HA 0.413 4.982 4.556 0.022 0.000 0.220 168 H C -0.121 174.923 175.328 -0.472 0.000 1.852 168 H CA -0.312 55.479 56.048 -0.429 0.000 1.275 168 H CB -0.227 29.366 29.762 -0.282 0.000 1.675 168 H HN 0.338 8.618 8.280 -0.000 0.000 0.523 169 S N 1.970 117.504 115.700 -0.277 0.000 2.634 169 S HA 0.129 4.612 4.470 0.021 0.000 0.296 169 S C 0.932 175.471 174.600 -0.101 0.000 1.104 169 S CA -1.037 57.055 58.200 -0.180 0.000 0.920 169 S CB 1.768 64.916 63.200 -0.086 0.000 1.111 169 S HN 0.386 8.696 8.310 -0.000 0.000 0.493 170 L N 1.049 122.228 121.223 -0.074 0.000 2.141 170 L HA -0.043 4.310 4.340 0.021 0.000 0.209 170 L C 1.400 178.252 176.870 -0.030 0.000 1.094 170 L CA 1.845 56.656 54.840 -0.049 0.000 0.763 170 L CB -1.375 40.660 42.059 -0.039 0.000 0.908 170 L HN 0.730 8.960 8.230 -0.000 0.000 0.437 171 N N 0.211 118.897 118.700 -0.024 0.000 2.188 171 N HA -0.140 4.613 4.740 0.021 0.000 0.184 171 N C 1.680 177.181 175.510 -0.015 0.000 1.018 171 N CA 1.126 54.167 53.050 -0.014 0.000 0.858 171 N CB -0.176 38.308 38.487 -0.005 0.000 0.989 171 N HN 0.241 8.621 8.380 -0.000 0.000 0.426 172 I N 0.678 121.235 120.570 -0.023 0.000 2.252 172 I HA -0.120 4.063 4.170 0.021 0.000 0.245 172 I C 1.851 177.958 176.117 -0.017 0.000 1.102 172 I CA 0.681 61.968 61.300 -0.020 0.000 1.385 172 I CB -0.174 37.808 38.000 -0.031 0.000 1.064 172 I HN 0.074 8.284 8.210 -0.000 0.000 0.414 173 I N -0.160 120.399 120.570 -0.018 0.000 2.226 173 I HA -0.309 3.874 4.170 0.021 0.000 0.245 173 I C 2.566 178.675 176.117 -0.014 0.000 1.100 173 I CA 1.317 62.608 61.300 -0.014 0.000 1.374 173 I CB -0.378 37.616 38.000 -0.010 0.000 1.057 173 I HN 0.131 8.341 8.210 -0.000 0.000 0.413 174 R N -0.006 120.486 120.500 -0.013 0.000 2.081 174 R HA -0.122 4.231 4.340 0.021 0.000 0.235 174 R C 2.299 178.594 176.300 -0.009 0.000 1.131 174 R CA 1.975 58.069 56.100 -0.011 0.000 0.960 174 R CB -0.617 29.677 30.300 -0.010 0.000 0.856 174 R HN 0.356 8.626 8.270 -0.000 0.000 0.436 175 T N 1.602 116.151 114.554 -0.008 0.000 2.821 175 T HA -0.096 4.267 4.350 0.021 0.000 0.267 175 T C 1.801 176.497 174.700 -0.007 0.000 1.046 175 T CA 0.765 62.861 62.100 -0.006 0.000 1.139 175 T CB -0.118 68.747 68.868 -0.005 0.000 0.871 175 T HN 0.151 8.391 8.240 -0.000 0.000 0.454 176 L N 0.561 121.778 121.223 -0.010 0.000 2.017 176 L HA -0.134 4.219 4.340 0.021 0.000 0.208 176 L C 2.570 179.433 176.870 -0.012 0.000 1.073 176 L CA 1.650 56.483 54.840 -0.012 0.000 0.745 176 L CB -0.260 41.789 42.059 -0.018 0.000 0.894 176 L HN 0.230 8.460 8.230 -0.000 0.000 0.432 177 K N -0.552 119.841 120.400 -0.012 0.000 2.148 177 K HA -0.244 4.089 4.320 0.021 0.000 0.204 177 K C 1.917 178.513 176.600 -0.007 0.000 1.050 177 K CA 1.498 57.779 56.287 -0.010 0.000 0.942 177 K CB -0.031 32.463 32.500 -0.010 0.000 0.724 177 K HN 0.372 8.622 8.250 -0.000 0.000 0.446 178 E N 0.974 121.170 120.200 -0.006 0.000 2.107 178 E HA -0.117 4.246 4.350 0.021 0.000 0.191 178 E C 1.905 178.503 176.600 -0.004 0.000 0.982 178 E CA 0.655 57.053 56.400 -0.004 0.000 0.809 178 E CB 0.099 29.796 29.700 -0.004 0.000 0.756 178 E HN 0.197 8.557 8.360 -0.000 0.000 0.459 179 I N 0.921 121.489 120.570 -0.004 0.000 2.163 179 I HA -0.245 3.938 4.170 0.021 0.000 0.240 179 I C 2.155 178.270 176.117 -0.003 0.000 1.081 179 I CA 0.912 62.211 61.300 -0.003 0.000 1.353 179 I CB -0.147 37.851 38.000 -0.003 0.000 1.054 179 I HN -0.045 8.165 8.210 -0.000 0.000 0.407 180 K N 0.793 121.190 120.400 -0.004 0.000 2.442 180 K HA -0.059 4.274 4.320 0.021 0.000 0.198 180 K C 2.049 178.648 176.600 -0.002 0.000 1.042 180 K CA 1.391 57.676 56.287 -0.004 0.000 0.958 180 K CB -0.375 32.121 32.500 -0.007 0.000 0.766 180 K HN 0.471 8.721 8.250 -0.000 0.000 0.474 181 S N -0.759 114.940 115.700 -0.003 0.000 2.492 181 S HA 0.123 4.606 4.470 0.021 0.000 0.218 181 S C 1.777 176.376 174.600 -0.001 0.000 1.016 181 S CA 0.063 58.262 58.200 -0.002 0.000 0.916 181 S CB 0.380 63.578 63.200 -0.002 0.000 0.791 181 S HN 0.141 8.451 8.310 -0.000 0.000 0.513 182 K N -0.183 120.217 120.400 -0.001 0.000 2.380 182 K HA 0.433 4.766 4.320 0.021 0.000 0.198 182 K C -0.273 176.327 176.600 -0.000 0.000 1.070 182 K CA 0.111 56.397 56.287 -0.000 0.000 1.040 182 K CB 0.403 32.902 32.500 -0.001 0.000 0.903 182 K HN 0.385 8.635 8.250 -0.000 0.000 0.549 183 M N 0.367 119.967 119.600 0.000 0.000 2.501 183 M HA 0.188 4.681 4.480 0.021 0.000 0.293 183 M C -1.094 175.207 176.300 0.002 0.000 1.192 183 M CA -0.896 54.405 55.300 0.001 0.000 0.886 183 M CB 2.017 34.617 32.600 0.000 0.000 1.710 183 M HN -0.219 8.071 8.290 -0.000 0.000 0.457 184 N N 2.869 121.570 118.700 0.002 0.000 2.767 184 N HA 0.573 5.326 4.740 0.021 0.000 0.238 184 N C -2.031 173.481 175.510 0.004 0.000 1.083 184 N CA -0.061 52.991 53.050 0.003 0.000 0.964 184 N CB 0.080 38.570 38.487 0.004 0.000 1.252 184 N HN 0.608 8.988 8.380 -0.000 0.000 0.512 185 I N 1.001 121.574 120.570 0.004 0.000 2.787 185 I HA 0.296 4.479 4.170 0.021 0.000 0.294 185 I C -1.324 174.797 176.117 0.005 0.000 1.365 185 I CA -0.662 60.641 61.300 0.005 0.000 1.029 185 I CB 1.896 39.898 38.000 0.004 0.000 1.313 185 I HN 0.170 8.380 8.210 -0.000 0.000 0.431 186 D N 5.093 125.498 120.400 0.008 0.000 2.351 186 D HA 0.485 5.137 4.640 0.021 0.000 0.251 186 D C -0.842 175.462 176.300 0.007 0.000 1.137 186 D CA 0.405 54.410 54.000 0.009 0.000 0.879 186 D CB 1.320 42.128 40.800 0.013 0.000 1.181 186 D HN 0.220 8.590 8.370 -0.000 0.000 0.448 187 V N 4.000 123.917 119.914 0.005 0.000 2.378 187 V HA 0.330 4.463 4.120 0.021 0.000 0.288 187 V C 0.200 176.296 176.094 0.002 0.000 1.016 187 V CA -0.762 61.539 62.300 0.002 0.000 0.840 187 V CB 1.159 32.981 31.823 -0.002 0.000 0.994 187 V HN 0.430 8.620 8.190 -0.000 0.000 0.431 188 I N 5.220 125.794 120.570 0.007 0.000 2.371 188 I HA 0.378 4.561 4.170 0.021 0.000 0.290 188 I C -0.344 175.775 176.117 0.003 0.000 1.028 188 I CA -0.347 60.958 61.300 0.008 0.000 1.345 188 I CB 1.507 39.517 38.000 0.016 0.000 1.407 188 I HN 0.307 8.517 8.210 -0.000 0.000 0.501 189 V N 5.652 125.563 119.914 -0.005 0.000 2.495 189 V HA 0.865 4.998 4.120 0.021 0.000 0.298 189 V C 0.400 176.488 176.094 -0.011 0.000 1.031 189 V CA -0.372 61.922 62.300 -0.010 0.000 0.871 189 V CB 1.285 33.094 31.823 -0.023 0.000 0.988 189 V HN 0.951 9.141 8.190 -0.000 0.000 0.432 190 G N 2.965 111.763 108.800 -0.004 0.000 2.687 190 G HA2 0.564 4.537 3.960 0.021 0.000 0.291 190 G HA3 0.564 4.537 3.960 0.021 0.000 0.291 190 G C -1.649 173.254 174.900 0.006 0.000 1.420 190 G CA -0.782 44.319 45.100 0.000 0.000 0.796 190 G HN 0.506 8.796 8.290 -0.000 0.000 0.485 191 N N -0.610 118.101 118.700 0.019 0.000 2.405 191 N HA 0.707 5.460 4.740 0.021 0.000 0.299 191 N C 0.013 175.536 175.510 0.023 0.000 1.075 191 N CA -0.391 52.673 53.050 0.023 0.000 0.884 191 N CB 2.075 40.585 38.487 0.038 0.000 1.194 191 N HN 0.719 9.099 8.380 -0.000 0.000 0.491 192 V N -1.460 118.458 119.914 0.007 0.000 3.141 192 V HA 0.758 4.890 4.120 0.021 0.000 0.312 192 V C 0.358 176.452 176.094 -0.000 0.000 1.157 192 V CA -0.783 61.516 62.300 -0.001 0.000 1.041 192 V CB 1.668 33.453 31.823 -0.064 0.000 1.071 192 V HN 0.420 8.610 8.190 -0.000 0.000 0.441 193 V N -2.680 117.234 119.914 -0.001 0.000 3.356 193 V HA 0.383 4.516 4.120 0.021 0.000 0.274 193 V C 0.589 176.670 176.094 -0.022 0.000 1.631 193 V CA 0.766 63.061 62.300 -0.008 0.000 1.025 193 V CB -0.301 31.526 31.823 0.008 0.000 0.840 193 V HN 1.280 9.470 8.190 -0.000 0.000 0.419 194 T N -2.426 112.106 114.554 -0.037 0.000 2.950 194 T HA 0.618 4.981 4.350 0.021 0.000 0.288 194 T C 0.648 175.301 174.700 -0.078 0.000 1.035 194 T CA 0.127 62.202 62.100 -0.042 0.000 1.028 194 T CB 2.588 71.449 68.868 -0.012 0.000 1.109 194 T HN 0.088 8.328 8.240 -0.000 0.000 0.514 195 E N 0.660 120.828 120.200 -0.053 0.000 2.051 195 E HA -0.098 4.265 4.350 0.021 0.000 0.192 195 E C 1.940 178.490 176.600 -0.082 0.000 0.991 195 E CA 1.570 57.940 56.400 -0.050 0.000 0.799 195 E CB -0.241 29.447 29.700 -0.019 0.000 0.748 195 E HN 0.810 9.170 8.360 -0.000 0.000 0.449 196 E N 0.555 120.706 120.200 -0.083 0.000 2.110 196 E HA -0.145 4.218 4.350 0.021 0.000 0.193 196 E C 1.911 178.318 176.600 -0.322 0.000 0.988 196 E CA 1.248 57.590 56.400 -0.097 0.000 0.804 196 E CB -0.405 29.305 29.700 0.018 0.000 0.745 196 E HN 0.308 8.668 8.360 -0.000 0.000 0.458 197 A N 0.262 122.739 122.820 -0.573 0.000 1.877 197 A HA -0.215 4.118 4.320 0.021 0.000 0.216 197 A C 2.438 179.740 177.584 -0.469 0.000 1.186 197 A CA 2.169 53.586 52.037 -1.033 0.000 0.620 197 A CB -1.126 17.471 19.000 -0.671 0.000 0.822 197 A HN 0.340 8.490 8.150 -0.000 0.000 0.443 198 T N -1.139 113.254 114.554 -0.269 0.000 2.857 198 T HA -0.119 4.244 4.350 0.021 0.000 0.266 198 T C 2.090 176.681 174.700 -0.182 0.000 1.048 198 T CA 2.149 64.144 62.100 -0.175 0.000 1.139 198 T CB -0.261 68.541 68.868 -0.110 0.000 0.874 198 T HN 0.391 8.631 8.240 -0.000 0.000 0.455 199 K N 0.642 120.941 120.400 -0.170 0.000 2.057 199 K HA -0.024 4.309 4.320 0.021 0.000 0.207 199 K C 2.224 178.705 176.600 -0.199 0.000 1.049 199 K CA 2.076 58.255 56.287 -0.180 0.000 0.931 199 K CB -0.626 31.827 32.500 -0.077 0.000 0.714 199 K HN 0.767 9.017 8.250 -0.000 0.000 0.440 200 E N -0.310 119.801 120.200 -0.148 0.000 2.106 200 E HA -0.064 4.299 4.350 0.021 0.000 0.192 200 E C 2.170 178.712 176.600 -0.097 0.000 0.984 200 E CA 1.335 57.685 56.400 -0.084 0.000 0.806 200 E CB -0.103 29.611 29.700 0.024 0.000 0.750 200 E HN 0.431 8.791 8.360 -0.000 0.000 0.458 201 L N 0.484 121.635 121.223 -0.120 0.000 2.093 201 L HA -0.147 4.206 4.340 0.021 0.000 0.208 201 L C 2.421 179.213 176.870 -0.130 0.000 1.085 201 L CA 0.720 55.500 54.840 -0.100 0.000 0.755 201 L CB -0.254 41.749 42.059 -0.093 0.000 0.904 201 L HN 0.227 8.457 8.230 -0.000 0.000 0.435 202 I N -0.190 120.259 120.570 -0.201 0.000 2.179 202 I HA -0.293 3.890 4.170 0.021 0.000 0.242 202 I C 2.428 178.387 176.117 -0.263 0.000 1.088 202 I CA 1.393 62.530 61.300 -0.271 0.000 1.357 202 I CB -0.260 37.452 38.000 -0.481 0.000 1.051 202 I HN 0.267 8.477 8.210 -0.000 0.000 0.409 203 E N 0.636 120.675 120.200 -0.270 0.000 2.160 203 E HA -0.227 4.136 4.350 0.021 0.000 0.195 203 E C 1.187 177.728 176.600 -0.098 0.000 0.991 203 E CA 1.300 57.594 56.400 -0.176 0.000 0.810 203 E CB -0.244 29.376 29.700 -0.134 0.000 0.742 203 E HN 0.554 8.914 8.360 -0.000 0.000 0.466 204 N N -0.823 117.826 118.700 -0.086 0.000 2.362 204 N HA 0.095 4.847 4.740 0.021 0.000 0.204 204 N C 0.104 175.586 175.510 -0.047 0.000 1.166 204 N CA 0.384 53.403 53.050 -0.053 0.000 0.831 204 N CB 1.213 39.676 38.487 -0.039 0.000 1.008 204 N HN 0.177 8.557 8.380 -0.000 0.000 0.472 205 G N -0.166 108.599 108.800 -0.059 0.000 2.164 205 G HA2 -0.197 3.776 3.960 0.021 0.000 0.212 205 G HA3 -0.197 3.776 3.960 0.021 0.000 0.212 205 G C -0.021 174.857 174.900 -0.037 0.000 1.031 205 G CA -0.120 44.955 45.100 -0.041 0.000 0.730 205 G HN 0.465 8.755 8.290 -0.000 0.000 0.501 206 A N -0.082 122.706 122.820 -0.054 0.000 2.362 206 A HA 0.613 4.946 4.320 0.021 0.000 0.276 206 A C 1.034 178.601 177.584 -0.029 0.000 1.153 206 A CA 0.349 52.361 52.037 -0.042 0.000 0.813 206 A CB 0.404 19.371 19.000 -0.055 0.000 1.081 206 A HN 0.247 8.397 8.150 -0.000 0.000 0.507 207 D N 1.805 122.199 120.400 -0.010 0.000 2.354 207 D HA 0.161 4.814 4.640 0.021 0.000 0.209 207 D C 0.764 177.073 176.300 0.015 0.000 1.015 207 D CA 1.256 55.260 54.000 0.006 0.000 0.867 207 D CB 0.647 41.454 40.800 0.011 0.000 0.933 207 D HN 0.682 9.052 8.370 -0.000 0.000 0.520 208 G N 0.434 109.239 108.800 0.007 0.000 2.733 208 G HA2 0.480 4.453 3.960 0.021 0.000 0.297 208 G HA3 0.480 4.453 3.960 0.021 0.000 0.297 208 G C -1.324 173.576 174.900 0.000 0.000 1.422 208 G CA -0.452 44.657 45.100 0.015 0.000 0.942 208 G HN -0.114 8.176 8.290 -0.000 0.000 0.510 209 I N 1.014 121.585 120.570 0.002 0.000 2.389 209 I HA 0.414 4.597 4.170 0.021 0.000 0.288 209 I C -0.088 176.030 176.117 0.002 0.000 0.999 209 I CA -0.971 60.321 61.300 -0.012 0.000 1.129 209 I CB 1.692 39.674 38.000 -0.031 0.000 1.288 209 I HN 0.448 8.658 8.210 -0.000 0.000 0.444 210 K N 6.120 126.521 120.400 0.002 0.000 2.240 210 K HA 0.569 4.902 4.320 0.021 0.000 0.271 210 K C -0.673 175.933 176.600 0.010 0.000 1.018 210 K CA -0.497 55.799 56.287 0.015 0.000 0.874 210 K CB 1.401 33.913 32.500 0.021 0.000 1.098 210 K HN 0.503 8.753 8.250 -0.000 0.000 0.458 211 V N 0.557 120.481 119.914 0.017 0.000 2.483 211 V HA 0.970 5.102 4.120 0.021 0.000 0.295 211 V C -0.027 176.081 176.094 0.023 0.000 1.035 211 V CA -0.143 62.163 62.300 0.010 0.000 0.896 211 V CB 1.195 33.017 31.823 -0.002 0.000 0.986 211 V HN 0.876 9.066 8.190 -0.000 0.000 0.447 212 G N 4.518 113.329 108.800 0.019 0.000 2.258 212 G HA2 0.227 4.200 3.960 0.021 0.000 0.182 212 G HA3 0.227 4.200 3.960 0.021 0.000 0.182 212 G C -1.338 173.580 174.900 0.029 0.000 1.790 212 G CA -0.616 44.499 45.100 0.024 0.000 1.128 212 G HN 1.019 9.309 8.290 -0.000 0.000 0.606 213 I N 2.348 122.931 120.570 0.023 0.000 2.439 213 I HA 0.681 4.864 4.170 0.021 0.000 0.283 213 I C 1.087 177.210 176.117 0.010 0.000 1.023 213 I CA 0.419 61.735 61.300 0.028 0.000 1.100 213 I CB 1.527 39.556 38.000 0.047 0.000 1.238 213 I HN 1.127 9.337 8.210 -0.000 0.000 0.445 214 G N 6.549 115.354 108.800 0.009 0.000 3.131 214 G HA2 -0.127 3.846 3.960 0.021 0.000 0.198 214 G HA3 -0.127 3.846 3.960 0.021 0.000 0.198 214 G C -2.502 172.403 174.900 0.007 0.000 1.435 214 G CA -0.525 44.575 45.100 0.000 0.000 1.016 214 G HN 0.432 8.722 8.290 -0.000 0.000 0.499 215 P HA 0.492 4.912 4.420 -0.000 0.000 0.277 215 P C 0.366 177.696 177.300 0.051 0.000 1.276 215 P CA 1.346 64.470 63.100 0.040 0.000 0.788 215 P CB 0.683 32.419 31.700 0.060 0.000 1.114 216 G N -0.505 108.336 108.800 0.069 0.000 3.438 216 G HA2 0.000 3.973 3.960 0.021 0.000 0.684 216 G HA3 0.000 3.973 3.960 0.021 0.000 0.684 216 G C 0.724 175.657 174.900 0.056 0.000 1.192 216 G CA 0.036 45.175 45.100 0.066 0.000 1.013 216 G HN 0.534 8.824 8.290 -0.000 0.000 0.530 217 S N 1.218 116.964 115.700 0.077 0.000 2.374 217 S HA -0.228 4.255 4.470 0.021 0.000 0.227 217 S C 2.264 176.891 174.600 0.045 0.000 1.037 217 S CA 2.379 60.622 58.200 0.072 0.000 1.024 217 S CB -0.365 62.902 63.200 0.112 0.000 0.861 217 S HN 1.713 10.023 8.310 -0.000 0.000 0.456 218 I N 0.058 120.639 120.570 0.017 0.000 3.793 218 I HA 0.363 4.546 4.170 0.021 0.000 0.315 218 I C 0.971 177.049 176.117 -0.065 0.000 1.275 218 I CA -1.437 59.812 61.300 -0.084 0.000 1.214 218 I CB -1.342 36.484 38.000 -0.290 0.000 1.018 218 I HN 0.358 8.568 8.210 -0.000 0.000 0.439 219 C N 2.509 121.794 119.300 -0.025 0.000 2.585 219 C HA 0.536 5.008 4.460 0.021 0.000 0.406 219 C C 1.655 176.636 174.990 -0.015 0.000 1.312 219 C CA 0.551 59.558 59.018 -0.018 0.000 1.924 219 C CB -0.534 27.207 27.740 0.001 0.000 2.578 219 C HN 0.687 8.917 8.230 -0.000 0.000 0.580 220 T N 0.971 115.515 114.554 -0.018 0.000 3.231 220 T HA 0.095 4.458 4.350 0.021 0.000 0.292 220 T C 1.069 175.761 174.700 -0.013 0.000 1.001 220 T CA 0.262 62.353 62.100 -0.015 0.000 0.920 220 T CB -0.211 68.646 68.868 -0.019 0.000 1.140 220 T HN 0.689 8.929 8.240 -0.000 0.000 0.525 221 T N 2.549 117.097 114.554 -0.011 0.000 2.737 221 T HA -0.126 4.236 4.350 0.021 0.000 0.269 221 T C 2.037 176.729 174.700 -0.013 0.000 1.040 221 T CA 1.401 63.494 62.100 -0.011 0.000 1.142 221 T CB -0.192 68.671 68.868 -0.007 0.000 0.861 221 T HN 0.452 8.692 8.240 -0.000 0.000 0.456 222 R N 0.153 120.647 120.500 -0.011 0.000 2.105 222 R HA -0.031 4.322 4.340 0.021 0.000 0.239 222 R C 2.231 178.524 176.300 -0.012 0.000 1.135 222 R CA 1.104 57.197 56.100 -0.011 0.000 0.967 222 R CB -0.281 30.014 30.300 -0.009 0.000 0.861 222 R HN 0.324 8.594 8.270 -0.000 0.000 0.442 223 I N -0.309 120.255 120.570 -0.011 0.000 2.339 223 I HA -0.128 4.055 4.170 0.021 0.000 0.245 223 I C 2.258 178.368 176.117 -0.012 0.000 1.096 223 I CA 1.099 62.392 61.300 -0.010 0.000 1.408 223 I CB -0.845 37.150 38.000 -0.009 0.000 1.092 223 I HN -0.062 8.148 8.210 -0.000 0.000 0.423 224 V N 1.027 120.933 119.914 -0.013 0.000 2.379 224 V HA -0.072 4.061 4.120 0.021 0.000 0.245 224 V C 2.430 178.514 176.094 -0.017 0.000 1.044 224 V CA 1.751 64.043 62.300 -0.014 0.000 1.036 224 V CB -0.850 30.965 31.823 -0.014 0.000 0.664 224 V HN 0.448 8.638 8.190 -0.000 0.000 0.453 225 A N -1.256 121.553 122.820 -0.019 0.000 2.167 225 A HA 0.483 4.815 4.320 0.021 0.000 0.208 225 A C 1.898 179.467 177.584 -0.025 0.000 1.198 225 A CA 0.945 52.967 52.037 -0.025 0.000 0.863 225 A CB 0.220 19.200 19.000 -0.032 0.000 0.904 225 A HN 1.203 9.353 8.150 -0.000 0.000 0.484 226 G N -0.844 107.943 108.800 -0.021 0.000 2.147 226 G HA2 -0.156 3.817 3.960 0.021 0.000 0.244 226 G HA3 -0.156 3.817 3.960 0.021 0.000 0.244 226 G C 0.021 174.907 174.900 -0.023 0.000 1.005 226 G CA 0.329 45.417 45.100 -0.019 0.000 0.713 226 G HN 0.919 9.209 8.290 -0.000 0.000 0.515 227 V N -0.256 119.643 119.914 -0.026 0.000 2.581 227 V HA 0.980 5.113 4.120 0.021 0.000 0.303 227 V C 0.703 176.785 176.094 -0.020 0.000 1.041 227 V CA 0.429 62.711 62.300 -0.030 0.000 0.907 227 V CB 1.627 33.421 31.823 -0.047 0.000 0.994 227 V HN 1.683 9.873 8.190 -0.000 0.000 0.442 228 G N 2.602 111.392 108.800 -0.017 0.000 2.347 228 G HA2 0.438 4.411 3.960 0.021 0.000 0.303 228 G HA3 0.438 4.411 3.960 0.021 0.000 0.303 228 G C -2.107 172.783 174.900 -0.016 0.000 1.481 228 G CA -0.472 44.620 45.100 -0.013 0.000 0.914 228 G HN 0.643 8.933 8.290 -0.000 0.000 0.638 229 V N 1.441 121.342 119.914 -0.021 0.000 2.577 229 V HA 0.559 4.692 4.120 0.021 0.000 0.303 229 V C -2.168 173.890 176.094 -0.060 0.000 1.042 229 V CA -1.407 60.873 62.300 -0.034 0.000 0.872 229 V CB 2.299 34.105 31.823 -0.028 0.000 0.998 229 V HN 0.670 8.860 8.190 -0.000 0.000 0.423 230 P HA 0.051 4.471 4.420 -0.000 0.000 0.265 230 P C 0.446 177.633 177.300 -0.188 0.000 1.187 230 P CA 0.197 63.223 63.100 -0.123 0.000 0.766 230 P CB 0.716 32.349 31.700 -0.112 0.000 0.820 231 Q N 3.160 122.777 119.800 -0.304 0.000 2.050 231 Q HA -0.151 4.202 4.340 0.021 0.000 0.202 231 Q C 1.687 177.450 176.000 -0.396 0.000 0.980 231 Q CA 1.846 57.418 55.803 -0.386 0.000 0.840 231 Q CB -0.600 27.778 28.738 -0.600 0.000 0.898 231 Q HN 0.354 8.624 8.270 -0.000 0.000 0.424 232 I N 0.176 120.444 120.570 -0.503 0.000 2.118 232 I HA -0.300 3.883 4.170 0.021 0.000 0.241 232 I C 2.051 178.054 176.117 -0.189 0.000 1.070 232 I CA 1.941 63.037 61.300 -0.340 0.000 1.327 232 I CB -1.664 36.117 38.000 -0.365 0.000 1.034 232 I HN 0.275 8.485 8.210 -0.000 0.000 0.405 233 T N 1.375 115.835 114.554 -0.157 0.000 2.720 233 T HA -0.157 4.205 4.350 0.021 0.000 0.268 233 T C 2.032 176.687 174.700 -0.074 0.000 1.037 233 T CA 1.647 63.696 62.100 -0.085 0.000 1.144 233 T CB -0.367 68.461 68.868 -0.068 0.000 0.864 233 T HN 0.485 8.725 8.240 -0.000 0.000 0.444 234 A N 1.089 123.853 122.820 -0.094 0.000 1.902 234 A HA -0.028 4.305 4.320 0.021 0.000 0.217 234 A C 2.278 179.826 177.584 -0.061 0.000 1.181 234 A CA 1.297 53.293 52.037 -0.069 0.000 0.623 234 A CB -0.738 18.220 19.000 -0.070 0.000 0.818 234 A HN 0.546 8.696 8.150 -0.000 0.000 0.443 235 I N -0.577 119.950 120.570 -0.072 0.000 2.252 235 I HA -0.236 3.947 4.170 0.021 0.000 0.245 235 I C 2.473 178.554 176.117 -0.060 0.000 1.102 235 I CA 1.466 62.734 61.300 -0.053 0.000 1.385 235 I CB -0.522 37.459 38.000 -0.032 0.000 1.064 235 I HN 0.394 8.604 8.210 -0.000 0.000 0.414 236 E N 1.209 121.377 120.200 -0.053 0.000 2.058 236 E HA -0.258 4.104 4.350 0.021 0.000 0.194 236 E C 2.197 178.772 176.600 -0.042 0.000 0.997 236 E CA 1.400 57.778 56.400 -0.038 0.000 0.801 236 E CB -0.061 29.638 29.700 -0.002 0.000 0.746 236 E HN 0.451 8.811 8.360 -0.000 0.000 0.450 237 K N 0.007 120.384 120.400 -0.038 0.000 2.057 237 K HA -0.108 4.224 4.320 0.021 0.000 0.207 237 K C 2.286 178.862 176.600 -0.040 0.000 1.049 237 K CA 1.320 57.587 56.287 -0.033 0.000 0.931 237 K CB -0.104 32.378 32.500 -0.029 0.000 0.714 237 K HN 0.209 8.459 8.250 -0.000 0.000 0.440 238 C N 0.238 119.509 119.300 -0.048 0.000 2.475 238 C HA 0.024 4.497 4.460 0.021 0.000 0.279 238 C C 2.818 177.774 174.990 -0.056 0.000 1.322 238 C CA 0.450 59.438 59.018 -0.051 0.000 1.734 238 C CB -0.458 27.251 27.740 -0.051 0.000 2.005 238 C HN 0.422 8.652 8.230 -0.000 0.000 0.495 239 S N 1.813 117.462 115.700 -0.084 0.000 2.382 239 S HA -0.162 4.321 4.470 0.021 0.000 0.228 239 S C 2.115 176.646 174.600 -0.114 0.000 1.027 239 S CA 1.671 59.788 58.200 -0.138 0.000 0.991 239 S CB -0.477 62.590 63.200 -0.221 0.000 0.823 239 S HN 0.853 9.163 8.310 -0.000 0.000 0.469 240 S N 1.299 116.951 115.700 -0.080 0.000 2.420 240 S HA -0.097 4.385 4.470 0.021 0.000 0.237 240 S C 1.723 176.311 174.600 -0.022 0.000 1.023 240 S CA 1.346 59.512 58.200 -0.055 0.000 0.991 240 S CB -0.584 62.594 63.200 -0.036 0.000 0.792 240 S HN 0.323 8.633 8.310 -0.000 0.000 0.488 241 V N 1.709 121.630 119.914 0.011 0.000 2.436 241 V HA 0.228 4.361 4.120 0.021 0.000 0.240 241 V C 3.058 179.265 176.094 0.188 0.000 1.040 241 V CA 1.038 63.399 62.300 0.103 0.000 1.052 241 V CB -1.293 30.585 31.823 0.092 0.000 0.707 241 V HN 0.598 8.788 8.190 -0.000 0.000 0.469 242 A N 1.135 124.012 122.820 0.095 0.000 2.019 242 A HA -0.173 4.160 4.320 0.021 0.000 0.219 242 A C 2.447 180.084 177.584 0.088 0.000 1.164 242 A CA 2.048 54.152 52.037 0.112 0.000 0.644 242 A CB -0.629 18.379 19.000 0.014 0.000 0.805 242 A HN 0.671 8.821 8.150 -0.000 0.000 0.449 243 S N -0.166 115.521 115.700 -0.022 0.000 2.453 243 S HA -0.088 4.395 4.470 0.021 0.000 0.231 243 S C 1.666 176.242 174.600 -0.039 0.000 1.005 243 S CA 1.193 59.352 58.200 -0.069 0.000 0.949 243 S CB -0.248 62.845 63.200 -0.178 0.000 0.774 243 S HN 0.624 8.934 8.310 -0.000 0.000 0.510 244 K N 0.201 120.557 120.400 -0.072 0.000 2.217 244 K HA 0.120 4.453 4.320 0.021 0.000 0.202 244 K C 0.750 177.125 176.600 -0.374 0.000 1.051 244 K CA 1.143 57.275 56.287 -0.257 0.000 0.952 244 K CB -0.216 32.039 32.500 -0.408 0.000 0.736 244 K HN 0.481 8.731 8.250 -0.000 0.000 0.453 245 F N -0.325 119.620 119.950 -0.010 0.000 2.695 245 F HA 0.239 4.778 4.527 0.020 0.000 0.303 245 F C 1.230 177.038 175.800 0.013 0.000 1.091 245 F CA 0.041 58.041 58.000 0.000 0.000 1.300 245 F CB 0.781 39.777 39.000 -0.007 0.000 1.071 245 F HN 0.080 8.380 8.300 -0.000 0.000 0.578 246 G N 1.444 110.334 108.800 0.151 0.000 2.225 246 G HA2 -0.279 3.694 3.960 0.021 0.000 0.267 246 G HA3 -0.279 3.694 3.960 0.021 0.000 0.267 246 G C 0.093 175.076 174.900 0.137 0.000 1.024 246 G CA -0.180 44.999 45.100 0.133 0.000 0.784 246 G HN 0.173 8.463 8.290 -0.000 0.000 0.507 247 I N 1.080 121.732 120.570 0.137 0.000 2.325 247 I HA 0.261 4.444 4.170 0.021 0.000 0.291 247 I C -1.829 174.338 176.117 0.084 0.000 1.019 247 I CA -2.935 58.422 61.300 0.095 0.000 1.302 247 I CB 0.789 38.826 38.000 0.061 0.000 1.401 247 I HN -0.131 8.079 8.210 -0.000 0.000 0.485 248 P HA 0.161 4.581 4.420 -0.000 0.000 0.268 248 P C -0.336 177.010 177.300 0.076 0.000 1.204 248 P CA -0.120 63.053 63.100 0.122 0.000 0.768 248 P CB 0.615 32.388 31.700 0.122 0.000 0.842 249 I N 4.511 125.125 120.570 0.073 0.000 2.365 249 I HA 0.216 4.399 4.170 0.021 0.000 0.291 249 I C 0.418 176.579 176.117 0.073 0.000 1.004 249 I CA -0.556 60.770 61.300 0.043 0.000 1.311 249 I CB 0.721 38.720 38.000 -0.001 0.000 1.401 249 I HN 0.224 8.434 8.210 -0.000 0.000 0.491 250 I N 5.614 126.217 120.570 0.056 0.000 2.312 250 I HA 0.310 4.493 4.170 0.021 0.000 0.290 250 I C 0.628 176.782 176.117 0.063 0.000 1.008 250 I CA -0.160 61.178 61.300 0.063 0.000 1.226 250 I CB 1.385 39.415 38.000 0.050 0.000 1.371 250 I HN 0.591 8.801 8.210 -0.000 0.000 0.468 251 A N 4.589 127.460 122.820 0.084 0.000 2.376 251 A HA 0.403 4.736 4.320 0.021 0.000 0.298 251 A C -0.393 177.253 177.584 0.103 0.000 1.271 251 A CA -0.219 51.881 52.037 0.104 0.000 0.926 251 A CB -0.181 18.913 19.000 0.156 0.000 1.141 251 A HN 0.629 8.779 8.150 -0.000 0.000 0.539 252 D N 2.228 122.681 120.400 0.089 0.000 2.344 252 D HA 0.533 5.186 4.640 0.021 0.000 0.239 252 D C 0.354 176.711 176.300 0.094 0.000 1.064 252 D CA 1.177 55.224 54.000 0.079 0.000 0.829 252 D CB 1.082 41.917 40.800 0.059 0.000 1.129 252 D HN 1.261 9.631 8.370 -0.000 0.000 0.506 253 G N 1.833 110.692 108.800 0.099 0.000 2.721 253 G HA2 0.402 4.375 3.960 0.021 0.000 0.686 253 G HA3 0.402 4.375 3.960 0.021 0.000 0.686 253 G C 0.687 175.693 174.900 0.177 0.000 1.236 253 G CA 0.021 45.185 45.100 0.106 0.000 0.786 253 G HN 1.485 9.775 8.290 -0.000 0.000 0.616 254 G N -0.508 108.383 108.800 0.151 0.000 2.179 254 G HA2 -0.050 3.923 3.960 0.021 0.000 0.220 254 G HA3 -0.050 3.923 3.960 0.021 0.000 0.220 254 G C 0.384 175.346 174.900 0.104 0.000 0.990 254 G CA 0.342 45.584 45.100 0.237 0.000 0.646 254 G HN 1.638 9.928 8.290 -0.000 0.000 0.517 255 I N 1.394 121.925 120.570 -0.065 0.000 2.322 255 I HA 0.349 4.532 4.170 0.021 0.000 0.292 255 I C 1.412 177.385 176.117 -0.241 0.000 1.060 255 I CA 0.039 61.182 61.300 -0.261 0.000 1.309 255 I CB 0.764 38.633 38.000 -0.219 0.000 1.415 255 I HN 0.197 8.407 8.210 -0.000 0.000 0.492 256 R N 4.401 124.702 120.500 -0.331 0.000 2.195 256 R HA 0.214 4.567 4.340 0.021 0.000 0.197 256 R C -0.381 175.473 176.300 -0.744 0.000 0.990 256 R CA 0.524 56.288 56.100 -0.560 0.000 1.048 256 R CB 0.364 30.230 30.300 -0.723 0.000 0.997 256 R HN 0.442 8.712 8.270 -0.000 0.000 0.502 257 Y N -0.810 119.413 120.300 -0.130 0.000 2.576 257 Y HA 0.147 4.704 4.550 0.012 0.000 0.346 257 Y C 1.397 177.219 175.900 -0.130 0.000 1.018 257 Y CA -0.927 57.108 58.100 -0.109 0.000 1.050 257 Y CB 1.855 40.264 38.460 -0.085 0.000 1.280 257 Y HN -0.113 8.167 8.280 -0.000 0.000 0.474 258 S N -0.564 115.185 115.700 0.082 0.000 2.419 258 S HA -0.185 4.298 4.470 0.021 0.000 0.235 258 S C 1.904 176.497 174.600 -0.013 0.000 1.019 258 S CA 1.314 59.519 58.200 0.007 0.000 0.982 258 S CB -0.915 62.296 63.200 0.018 0.000 0.789 258 S HN 1.022 9.332 8.310 -0.000 0.000 0.490 259 G N 1.902 110.707 108.800 0.008 0.000 2.432 259 G HA2 -0.164 3.809 3.960 0.021 0.000 0.219 259 G HA3 -0.164 3.809 3.960 0.021 0.000 0.219 259 G C 1.073 175.935 174.900 -0.064 0.000 1.135 259 G CA 0.940 46.029 45.100 -0.018 0.000 0.767 259 G HN 0.518 8.808 8.290 -0.000 0.000 0.550 260 D N 0.735 121.042 120.400 -0.156 0.000 2.178 260 D HA -0.065 4.588 4.640 0.021 0.000 0.202 260 D C 2.528 178.605 176.300 -0.371 0.000 0.974 260 D CA 0.374 54.106 54.000 -0.446 0.000 0.841 260 D CB -0.145 40.152 40.800 -0.839 0.000 0.953 260 D HN 0.397 8.767 8.370 -0.000 0.000 0.478 261 I N 1.095 121.539 120.570 -0.210 0.000 2.163 261 I HA -0.187 3.996 4.170 0.021 0.000 0.243 261 I C 2.605 178.714 176.117 -0.013 0.000 1.085 261 I CA 1.468 62.709 61.300 -0.098 0.000 1.347 261 I CB -0.633 37.328 38.000 -0.065 0.000 1.044 261 I HN 0.019 8.229 8.210 -0.000 0.000 0.408 262 G N 0.976 109.774 108.800 -0.004 0.000 2.440 262 G HA2 -0.234 3.739 3.960 0.021 0.000 0.218 262 G HA3 -0.234 3.739 3.960 0.021 0.000 0.218 262 G C 1.742 176.691 174.900 0.082 0.000 1.154 262 G CA 0.657 45.782 45.100 0.042 0.000 0.767 262 G HN 0.342 8.632 8.290 -0.000 0.000 0.552 263 K N 0.532 120.977 120.400 0.076 0.000 2.057 263 K HA 0.077 4.410 4.320 0.021 0.000 0.207 263 K C 2.962 179.687 176.600 0.208 0.000 1.049 263 K CA 0.985 57.357 56.287 0.141 0.000 0.931 263 K CB -0.207 32.417 32.500 0.205 0.000 0.714 263 K HN 0.269 8.519 8.250 -0.000 0.000 0.440 264 A N 1.485 124.459 122.820 0.257 0.000 1.873 264 A HA -0.114 4.219 4.320 0.021 0.000 0.215 264 A C 2.147 179.857 177.584 0.210 0.000 1.186 264 A CA 1.205 53.413 52.037 0.284 0.000 0.616 264 A CB -0.638 18.533 19.000 0.285 0.000 0.823 264 A HN 0.129 8.279 8.150 -0.000 0.000 0.442 265 L N -0.806 120.538 121.223 0.201 0.000 2.027 265 L HA -0.168 4.185 4.340 0.021 0.000 0.206 265 L C 3.101 180.200 176.870 0.383 0.000 1.074 265 L CA 1.100 56.109 54.840 0.282 0.000 0.745 265 L CB -0.675 41.493 42.059 0.182 0.000 0.898 265 L HN 0.431 8.661 8.230 -0.000 0.000 0.433 266 A N -0.713 122.268 122.820 0.269 0.000 1.978 266 A HA -0.170 4.163 4.320 0.021 0.000 0.220 266 A C 2.293 180.041 177.584 0.273 0.000 1.170 266 A CA 1.754 53.962 52.037 0.285 0.000 0.636 266 A CB -0.716 18.405 19.000 0.201 0.000 0.810 266 A HN 0.236 8.386 8.150 -0.000 0.000 0.448 267 V N -1.556 118.472 119.914 0.190 0.000 3.406 267 V HA 0.341 4.474 4.120 0.021 0.000 0.263 267 V C 1.454 177.538 176.094 -0.017 0.000 1.172 267 V CA 1.647 64.015 62.300 0.114 0.000 1.140 267 V CB 0.358 32.220 31.823 0.064 0.000 0.784 267 V HN 1.018 9.208 8.190 -0.000 0.000 0.467 268 G N -1.107 107.645 108.800 -0.080 0.000 2.870 268 G HA2 0.092 4.065 3.960 0.021 0.000 0.216 268 G HA3 0.092 4.065 3.960 0.021 0.000 0.216 268 G C 0.166 174.868 174.900 -0.330 0.000 0.973 268 G CA 0.033 44.841 45.100 -0.488 0.000 0.807 268 G HN 0.879 9.169 8.290 -0.000 0.000 0.573 269 A N 0.357 123.230 122.820 0.088 0.000 2.302 269 A HA 0.832 5.165 4.320 0.021 0.000 0.285 269 A C 1.300 179.163 177.584 0.464 0.000 1.105 269 A CA 0.850 53.004 52.037 0.193 0.000 0.816 269 A CB 1.147 20.243 19.000 0.160 0.000 1.067 269 A HN 0.569 8.719 8.150 -0.000 0.000 0.489 270 S N -0.258 115.673 115.700 0.385 0.000 2.441 270 S HA 0.114 4.597 4.470 0.021 0.000 0.224 270 S C 0.935 175.642 174.600 0.178 0.000 1.043 270 S CA 0.862 59.284 58.200 0.371 0.000 0.948 270 S CB -0.108 63.284 63.200 0.320 0.000 0.810 270 S HN 1.112 9.422 8.310 -0.000 0.000 0.504 271 S N -0.211 115.573 115.700 0.139 0.000 2.697 271 S HA 0.770 5.253 4.470 0.021 0.000 0.289 271 S C -1.169 173.479 174.600 0.080 0.000 1.149 271 S CA -0.764 57.486 58.200 0.084 0.000 0.850 271 S CB 1.992 65.228 63.200 0.060 0.000 1.151 271 S HN -0.062 8.248 8.310 -0.000 0.000 0.491 272 V N 1.811 121.756 119.914 0.051 0.000 2.482 272 V HA 0.456 4.589 4.120 0.021 0.000 0.295 272 V C -0.552 175.559 176.094 0.028 0.000 1.026 272 V CA -0.496 61.831 62.300 0.044 0.000 0.856 272 V CB 1.532 33.368 31.823 0.022 0.000 1.001 272 V HN 0.991 9.181 8.190 -0.000 0.000 0.424 273 M N 7.314 126.937 119.600 0.039 0.000 2.180 273 M HA 0.649 5.142 4.480 0.021 0.000 0.358 273 M C -0.814 175.500 176.300 0.023 0.000 1.233 273 M CA -0.219 55.100 55.300 0.032 0.000 1.114 273 M CB 0.607 33.232 32.600 0.043 0.000 1.594 273 M HN 0.746 9.036 8.290 -0.000 0.000 0.467 274 I N 1.364 121.939 120.570 0.008 0.000 2.608 274 I HA 0.805 4.988 4.170 0.021 0.000 0.295 274 I C -0.078 176.037 176.117 -0.003 0.000 1.049 274 I CA -0.712 60.582 61.300 -0.011 0.000 1.063 274 I CB 2.101 40.073 38.000 -0.047 0.000 1.248 274 I HN 0.745 8.955 8.210 -0.000 0.000 0.424 275 G N 1.902 110.702 108.800 -0.000 0.000 2.682 275 G HA2 -0.039 3.934 3.960 0.021 0.000 0.200 275 G HA3 -0.039 3.934 3.960 0.021 0.000 0.200 275 G C 1.109 175.903 174.900 -0.176 0.000 1.179 275 G CA 0.865 45.972 45.100 0.012 0.000 0.718 275 G HN 0.646 8.936 8.290 -0.000 0.000 0.685 276 S N 1.272 116.861 115.700 -0.185 0.000 2.378 276 S HA -0.229 4.254 4.470 0.021 0.000 0.229 276 S C 2.487 176.832 174.600 -0.426 0.000 1.052 276 S CA 2.178 60.102 58.200 -0.459 0.000 1.084 276 S CB -0.566 62.546 63.200 -0.146 0.000 0.950 276 S HN 0.569 8.879 8.310 -0.000 0.000 0.440 277 I N -1.556 118.861 120.570 -0.254 0.000 3.176 277 I HA 0.119 4.302 4.170 0.021 0.000 0.275 277 I C 1.654 177.657 176.117 -0.189 0.000 1.298 277 I CA 0.962 62.136 61.300 -0.210 0.000 1.445 277 I CB -0.327 37.572 38.000 -0.167 0.000 1.075 277 I HN 0.271 8.481 8.210 -0.000 0.000 0.482 278 L N 1.242 122.347 121.223 -0.197 0.000 2.556 278 L HA 0.416 4.769 4.340 0.021 0.000 0.226 278 L C 1.524 178.292 176.870 -0.170 0.000 1.089 278 L CA -0.188 54.562 54.840 -0.150 0.000 0.864 278 L CB 0.040 42.041 42.059 -0.096 0.000 1.067 278 L HN 0.214 8.444 8.230 -0.000 0.000 0.477 279 A N 0.271 122.917 122.820 -0.291 0.000 2.492 279 A HA 0.422 4.755 4.320 0.021 0.000 0.254 279 A C 1.296 178.767 177.584 -0.188 0.000 1.091 279 A CA 0.767 52.629 52.037 -0.291 0.000 0.768 279 A CB -0.207 18.341 19.000 -0.753 0.000 1.028 279 A HN 0.549 8.700 8.150 -0.000 0.000 0.498 280 G N 1.955 110.722 108.800 -0.055 0.000 2.175 280 G HA2 -0.172 3.801 3.960 0.021 0.000 0.244 280 G HA3 -0.172 3.801 3.960 0.021 0.000 0.244 280 G C 0.496 175.368 174.900 -0.048 0.000 0.982 280 G CA 0.778 45.882 45.100 0.006 0.000 0.641 280 G HN 1.906 10.197 8.290 -0.000 0.000 0.527 281 T N -1.596 112.905 114.554 -0.089 0.000 2.849 281 T HA 0.571 4.934 4.350 0.021 0.000 0.284 281 T C 1.137 175.841 174.700 0.007 0.000 1.004 281 T CA 0.558 62.572 62.100 -0.143 0.000 1.021 281 T CB 1.913 70.710 68.868 -0.118 0.000 1.013 281 T HN 0.150 8.390 8.240 -0.000 0.000 0.527 282 E N 0.444 120.659 120.200 0.026 0.000 2.219 282 E HA -0.170 4.193 4.350 0.021 0.000 0.198 282 E C 1.576 178.229 176.600 0.088 0.000 0.998 282 E CA 1.504 58.015 56.400 0.185 0.000 0.818 282 E CB -0.279 29.520 29.700 0.165 0.000 0.741 282 E HN 0.794 9.154 8.360 -0.000 0.000 0.477 283 E N -0.303 119.914 120.200 0.028 0.000 2.474 283 E HA 0.085 4.448 4.350 0.021 0.000 0.194 283 E C 0.004 176.599 176.600 -0.009 0.000 1.041 283 E CA 0.395 56.792 56.400 -0.005 0.000 0.874 283 E CB 0.336 30.023 29.700 -0.021 0.000 0.914 283 E HN 0.232 8.592 8.360 -0.000 0.000 0.498 284 S N 0.860 116.570 115.700 0.016 0.000 2.564 284 S HA 0.131 4.614 4.470 0.021 0.000 0.278 284 S C -1.617 173.010 174.600 0.046 0.000 1.333 284 S CA -1.143 57.074 58.200 0.029 0.000 1.048 284 S CB 0.993 64.213 63.200 0.032 0.000 0.900 284 S HN -0.086 8.224 8.310 -0.000 0.000 0.505 285 P HA 0.105 4.525 4.420 -0.000 0.000 0.234 285 P C 0.891 178.234 177.300 0.072 0.000 1.167 285 P CA 0.410 63.548 63.100 0.063 0.000 0.763 285 P CB -0.585 31.169 31.700 0.091 0.000 0.835 286 G N 0.488 109.340 108.800 0.087 0.000 2.684 286 G HA2 0.111 4.083 3.960 0.021 0.000 0.255 286 G HA3 0.111 4.083 3.960 0.021 0.000 0.255 286 G C -0.532 174.417 174.900 0.082 0.000 1.219 286 G CA -0.177 44.983 45.100 0.100 0.000 0.901 286 G HN 0.077 8.367 8.290 -0.000 0.000 0.548 287 E N -0.788 119.457 120.200 0.075 0.000 2.277 287 E HA 0.392 4.754 4.350 0.021 0.000 0.274 287 E C -0.023 176.614 176.600 0.060 0.000 1.022 287 E CA -0.513 55.919 56.400 0.052 0.000 0.853 287 E CB 0.916 30.635 29.700 0.031 0.000 1.086 287 E HN 0.317 8.677 8.360 -0.000 0.000 0.397 288 K N 2.135 122.547 120.400 0.020 0.000 2.205 288 K HA 0.260 4.593 4.320 0.021 0.000 0.279 288 K C -0.871 175.729 176.600 -0.000 0.000 1.027 288 K CA -0.273 56.004 56.287 -0.018 0.000 0.932 288 K CB 0.845 33.270 32.500 -0.125 0.000 1.032 288 K HN 0.486 8.736 8.250 -0.000 0.000 0.466 289 E N 3.907 124.126 120.200 0.032 0.000 2.304 289 E HA 0.193 4.556 4.350 0.021 0.000 0.277 289 E C -1.911 174.753 176.600 0.106 0.000 0.898 289 E CA -0.836 55.605 56.400 0.068 0.000 0.764 289 E CB 1.251 31.012 29.700 0.103 0.000 1.216 289 E HN 0.357 8.717 8.360 -0.000 0.000 0.419 290 L N 6.003 127.272 121.223 0.077 0.000 2.264 290 L HA 0.451 4.804 4.340 0.021 0.000 0.289 290 L C -1.359 175.596 176.870 0.141 0.000 1.044 290 L CA -0.337 54.562 54.840 0.098 0.000 0.807 290 L CB 0.850 42.931 42.059 0.037 0.000 1.192 290 L HN 0.452 8.682 8.230 -0.000 0.000 0.425 291 I N 6.462 127.184 120.570 0.254 0.000 2.420 291 I HA 0.562 4.745 4.170 0.021 0.000 0.282 291 I C 0.882 177.129 176.117 0.217 0.000 1.019 291 I CA -0.004 61.414 61.300 0.196 0.000 1.130 291 I CB 0.201 38.255 38.000 0.089 0.000 1.262 291 I HN 0.839 9.049 8.210 -0.000 0.000 0.454 292 G N 6.970 115.841 108.800 0.118 0.000 2.536 292 G HA2 -0.292 3.681 3.960 0.021 0.000 0.277 292 G HA3 -0.292 3.681 3.960 0.021 0.000 0.277 292 G C 0.456 175.403 174.900 0.078 0.000 1.155 292 G CA 0.568 45.724 45.100 0.094 0.000 0.960 292 G HN 0.664 8.954 8.290 -0.000 0.000 0.544 293 D N 0.404 120.848 120.400 0.074 0.000 2.379 293 D HA 0.208 4.861 4.640 0.021 0.000 0.208 293 D C 0.893 177.202 176.300 0.016 0.000 1.065 293 D CA 1.335 55.359 54.000 0.039 0.000 0.848 293 D CB 0.008 40.825 40.800 0.029 0.000 0.949 293 D HN 0.547 8.917 8.370 -0.000 0.000 0.509 294 T N 0.642 115.208 114.554 0.021 0.000 2.855 294 T HA 0.472 4.835 4.350 0.021 0.000 0.281 294 T C -0.037 174.544 174.700 -0.199 0.000 1.007 294 T CA -0.681 61.340 62.100 -0.133 0.000 1.009 294 T CB 2.706 71.411 68.868 -0.271 0.000 0.983 294 T HN -0.162 8.078 8.240 -0.000 0.000 0.455 295 V N 3.222 122.994 119.914 -0.237 0.000 2.465 295 V HA 0.416 4.549 4.120 0.021 0.000 0.279 295 V C -0.958 174.977 176.094 -0.264 0.000 1.045 295 V CA -0.572 61.638 62.300 -0.150 0.000 0.938 295 V CB 0.051 31.796 31.823 -0.130 0.000 0.986 295 V HN 0.777 8.967 8.190 -0.000 0.000 0.467 296 Y N 2.931 123.270 120.300 0.066 0.000 2.524 296 Y HA 0.666 5.228 4.550 0.020 0.000 0.344 296 Y C 0.240 176.206 175.900 0.109 0.000 1.012 296 Y CA -0.898 57.258 58.100 0.093 0.000 1.068 296 Y CB 2.133 40.639 38.460 0.077 0.000 1.249 296 Y HN 0.471 8.751 8.280 -0.000 0.000 0.468 297 K N 0.833 121.412 120.400 0.300 0.000 2.443 297 K HA 0.353 4.686 4.320 0.021 0.000 0.251 297 K C -1.832 174.929 176.600 0.268 0.000 0.972 297 K CA -1.157 55.282 56.287 0.253 0.000 0.833 297 K CB 2.455 35.084 32.500 0.215 0.000 1.317 297 K HN 0.542 8.792 8.250 -0.000 0.000 0.441 298 Y N 1.061 121.441 120.300 0.132 0.000 2.301 298 Y HA 0.205 4.770 4.550 0.024 0.000 0.325 298 Y C -0.967 175.049 175.900 0.194 0.000 1.203 298 Y CA 0.234 58.411 58.100 0.128 0.000 1.255 298 Y CB 0.651 39.156 38.460 0.075 0.000 1.232 298 Y HN 0.429 8.709 8.280 -0.000 0.000 0.501 299 Y N 6.030 126.170 120.300 -0.266 0.000 2.354 299 Y HA 0.495 5.057 4.550 0.019 0.000 0.330 299 Y C -1.310 174.471 175.900 -0.198 0.000 1.011 299 Y CA -1.339 56.675 58.100 -0.142 0.000 1.099 299 Y CB 0.896 39.288 38.460 -0.112 0.000 1.179 299 Y HN 0.693 8.973 8.280 -0.000 0.000 0.442 300 R N 3.644 123.911 120.500 -0.388 0.000 2.651 300 R HA 0.833 5.186 4.340 0.021 0.000 0.278 300 R C -0.568 175.494 176.300 -0.397 0.000 1.010 300 R CA -1.067 54.825 56.100 -0.345 0.000 0.896 300 R CB 1.550 31.852 30.300 0.004 0.000 1.211 300 R HN 0.841 9.111 8.270 -0.000 0.000 0.456 301 G N 1.724 110.327 108.800 -0.329 0.000 2.569 301 G HA2 0.166 4.138 3.960 0.021 0.000 0.249 301 G HA3 0.166 4.138 3.960 0.021 0.000 0.249 301 G C 0.783 175.618 174.900 -0.109 0.000 1.216 301 G CA -0.828 44.145 45.100 -0.211 0.000 0.845 301 G HN 0.583 8.873 8.290 -0.000 0.000 0.568 302 M N 1.520 121.080 119.600 -0.066 0.000 2.319 302 M HA 0.011 4.504 4.480 0.021 0.000 0.265 302 M C 2.178 178.467 176.300 -0.019 0.000 1.068 302 M CA 1.053 56.334 55.300 -0.031 0.000 1.118 302 M CB -0.572 32.025 32.600 -0.004 0.000 1.395 302 M HN 0.572 8.862 8.290 -0.000 0.000 0.435 303 G N 0.711 109.497 108.800 -0.023 0.000 3.591 303 G HA2 0.219 4.192 3.960 0.021 0.000 0.282 303 G HA3 0.219 4.192 3.960 0.021 0.000 0.282 303 G C 0.445 175.331 174.900 -0.022 0.000 1.238 303 G CA -0.127 44.964 45.100 -0.015 0.000 0.993 303 G HN 0.477 8.767 8.290 -0.000 0.000 0.542 304 S N -1.227 114.456 115.700 -0.028 0.000 2.707 304 S HA 0.401 4.883 4.470 0.021 0.000 0.276 304 S C 1.469 176.064 174.600 -0.008 0.000 1.179 304 S CA -0.356 57.829 58.200 -0.024 0.000 0.992 304 S CB 1.649 64.828 63.200 -0.035 0.000 1.030 304 S HN -0.054 8.256 8.310 -0.000 0.000 0.554 305 V N 1.447 121.360 119.914 -0.002 0.000 2.295 305 V HA -0.024 4.109 4.120 0.021 0.000 0.246 305 V C 2.764 178.861 176.094 0.004 0.000 1.049 305 V CA 2.294 64.596 62.300 0.002 0.000 1.024 305 V CB -1.841 29.984 31.823 0.005 0.000 0.648 305 V HN 1.035 9.225 8.190 -0.000 0.000 0.447 306 G N -0.537 108.272 108.800 0.014 0.000 2.408 306 G HA2 -0.118 3.855 3.960 0.021 0.000 0.217 306 G HA3 -0.118 3.855 3.960 0.021 0.000 0.217 306 G C 1.707 176.607 174.900 0.000 0.000 1.150 306 G CA 0.954 46.058 45.100 0.007 0.000 0.776 306 G HN 0.616 8.906 8.290 -0.000 0.000 0.542 307 A N 0.378 123.201 122.820 0.004 0.000 1.968 307 A HA 0.204 4.537 4.320 0.021 0.000 0.217 307 A C 2.366 179.950 177.584 0.001 0.000 1.169 307 A CA 1.313 53.348 52.037 -0.003 0.000 0.638 307 A CB -0.249 18.742 19.000 -0.014 0.000 0.812 307 A HN 0.372 8.522 8.150 -0.000 0.000 0.446 308 M N -0.922 118.679 119.600 0.001 0.000 2.419 308 M HA -0.055 4.438 4.480 0.021 0.000 0.264 308 M C 1.932 178.235 176.300 0.004 0.000 1.082 308 M CA 0.968 56.270 55.300 0.004 0.000 1.119 308 M CB -0.116 32.485 32.600 0.002 0.000 1.398 308 M HN 0.330 8.620 8.290 -0.000 0.000 0.453 309 K N 0.273 120.673 120.400 0.001 0.000 1.985 309 K HA -0.074 4.259 4.320 0.021 0.000 0.210 309 K C 1.190 177.791 176.600 0.002 0.000 1.047 309 K CA 1.477 57.764 56.287 -0.001 0.000 0.932 309 K CB -0.105 32.391 32.500 -0.007 0.000 0.716 309 K HN 0.360 8.610 8.250 -0.000 0.000 0.439 327 V N -0.417 119.494 119.914 -0.005 0.000 2.811 327 V HA 0.452 4.585 4.120 0.021 0.000 0.302 327 V C -2.418 173.672 176.094 -0.007 0.000 1.063 327 V CA -1.238 61.058 62.300 -0.006 0.000 1.088 327 V CB -0.432 31.386 31.823 -0.008 0.000 0.982 327 V HN 0.637 8.827 8.190 -0.000 0.000 0.485 328 P HA 0.223 4.643 4.420 -0.000 0.000 0.267 328 P C -0.108 177.184 177.300 -0.014 0.000 1.205 328 P CA 0.211 63.305 63.100 -0.011 0.000 0.765 328 P CB 0.305 31.998 31.700 -0.011 0.000 0.828 329 E N 1.279 121.470 120.200 -0.015 0.000 2.685 329 E HA 0.324 4.687 4.350 0.021 0.000 0.208 329 E C 0.266 176.850 176.600 -0.026 0.000 0.996 329 E CA -0.327 56.063 56.400 -0.017 0.000 1.054 329 E CB 0.646 30.339 29.700 -0.011 0.000 1.075 329 E HN 0.573 8.933 8.360 -0.000 0.000 0.460 330 G N 1.343 110.122 108.800 -0.034 0.000 2.733 330 G HA2 0.518 4.491 3.960 0.021 0.000 0.297 330 G HA3 0.518 4.491 3.960 0.021 0.000 0.297 330 G C -0.691 174.173 174.900 -0.061 0.000 1.422 330 G CA -0.791 44.275 45.100 -0.056 0.000 0.942 330 G HN 0.139 8.429 8.290 -0.000 0.000 0.510 331 I N -1.526 118.994 120.570 -0.083 0.000 2.676 331 I HA 0.856 5.039 4.170 0.021 0.000 0.309 331 I C -0.165 175.875 176.117 -0.129 0.000 0.990 331 I CA -1.030 60.221 61.300 -0.081 0.000 1.168 331 I CB 2.155 40.115 38.000 -0.066 0.000 1.343 331 I HN 0.627 8.837 8.210 -0.000 0.000 0.482 332 E N 2.552 122.691 120.200 -0.102 0.000 2.288 332 E HA 0.846 5.208 4.350 0.021 0.000 0.268 332 E C -0.736 175.724 176.600 -0.233 0.000 0.885 332 E CA -1.174 55.130 56.400 -0.161 0.000 0.767 332 E CB 2.409 32.133 29.700 0.040 0.000 1.220 332 E HN 1.047 9.407 8.360 -0.000 0.000 0.427 333 G N 1.128 109.621 108.800 -0.511 0.000 2.523 333 G HA2 0.336 4.309 3.960 0.021 0.000 0.291 333 G HA3 0.336 4.309 3.960 0.021 0.000 0.291 333 G C -1.295 173.249 174.900 -0.593 0.000 1.450 333 G CA -1.127 43.710 45.100 -0.438 0.000 0.790 333 G HN 0.383 8.673 8.290 -0.000 0.000 0.496 334 R N -1.056 119.262 120.500 -0.303 0.000 2.539 334 R HA 0.601 4.954 4.340 0.021 0.000 0.275 334 R C -0.549 175.786 176.300 0.059 0.000 1.077 334 R CA -0.402 55.638 56.100 -0.099 0.000 1.097 334 R CB 1.784 32.053 30.300 -0.051 0.000 1.018 334 R HN 0.366 8.636 8.270 -0.000 0.000 0.483 335 V N 1.477 121.494 119.914 0.171 0.000 2.789 335 V HA 0.491 4.624 4.120 0.021 0.000 0.311 335 V C -0.478 175.738 176.094 0.203 0.000 1.073 335 V CA -0.645 61.753 62.300 0.164 0.000 0.921 335 V CB 1.626 33.476 31.823 0.045 0.000 1.009 335 V HN 0.883 9.073 8.190 -0.000 0.000 0.426 336 K N 4.262 124.718 120.400 0.094 0.000 2.489 336 K HA 0.157 4.490 4.320 0.021 0.000 0.278 336 K C -0.404 176.175 176.600 -0.035 0.000 1.000 336 K CA 0.255 56.474 56.287 -0.113 0.000 1.012 336 K CB -0.184 32.226 32.500 -0.150 0.000 0.903 336 K HN 0.992 9.242 8.250 -0.000 0.000 0.485 337 Y N 2.322 122.526 120.300 -0.160 0.000 2.770 337 Y HA 0.023 4.586 4.550 0.023 0.000 0.342 337 Y C 1.051 176.900 175.900 -0.085 0.000 1.221 337 Y CA 0.384 58.428 58.100 -0.092 0.000 1.560 337 Y CB 0.498 38.907 38.460 -0.085 0.000 1.213 337 Y HN 0.709 8.989 8.280 -0.000 0.000 0.525 338 K N 5.202 125.309 120.400 -0.489 0.000 2.444 338 K HA 0.218 4.551 4.320 0.021 0.000 0.193 338 K C 1.179 177.436 176.600 -0.572 0.000 1.024 338 K CA 0.509 56.547 56.287 -0.415 0.000 1.077 338 K CB -0.135 32.205 32.500 -0.267 0.000 0.833 338 K HN 1.062 9.312 8.250 -0.000 0.000 0.517 339 G N 2.052 110.125 108.800 -1.211 0.000 2.542 339 G HA2 -0.240 3.733 3.960 0.021 0.000 0.235 339 G HA3 -0.240 3.733 3.960 0.021 0.000 0.235 339 G C -0.831 173.819 174.900 -0.417 0.000 1.286 339 G CA -0.662 43.921 45.100 -0.861 0.000 0.904 339 G HN 0.186 8.476 8.290 -0.000 0.000 0.577 340 E N 0.679 120.776 120.200 -0.172 0.000 2.415 340 E HA 0.129 4.492 4.350 0.021 0.000 0.263 340 E C 1.614 178.167 176.600 -0.078 0.000 0.995 340 E CA 0.063 56.418 56.400 -0.075 0.000 0.915 340 E CB 0.977 30.659 29.700 -0.029 0.000 0.951 340 E HN 0.585 8.945 8.360 -0.000 0.000 0.449 341 M N 3.846 123.416 119.600 -0.049 0.000 2.117 341 M HA -0.232 4.261 4.480 0.021 0.000 0.262 341 M C 1.918 178.221 176.300 0.005 0.000 1.065 341 M CA 2.479 57.756 55.300 -0.038 0.000 1.114 341 M CB -0.252 32.331 32.600 -0.028 0.000 1.361 341 M HN 0.546 8.836 8.290 -0.000 0.000 0.408 342 E N 0.176 120.400 120.200 0.040 0.000 2.130 342 E HA -0.154 4.209 4.350 0.021 0.000 0.196 342 E C 1.979 178.700 176.600 0.201 0.000 0.998 342 E CA 1.865 58.343 56.400 0.130 0.000 0.806 342 E CB -1.914 27.859 29.700 0.122 0.000 0.738 342 E HN 0.818 9.178 8.360 -0.000 0.000 0.459 343 G N 0.051 108.896 108.800 0.076 0.000 2.402 343 G HA2 -0.087 3.886 3.960 0.021 0.000 0.216 343 G HA3 -0.087 3.886 3.960 0.021 0.000 0.216 343 G C 1.956 176.894 174.900 0.065 0.000 1.162 343 G CA 1.292 46.422 45.100 0.050 0.000 0.777 343 G HN 0.495 8.785 8.290 -0.000 0.000 0.539 344 V N 0.652 120.576 119.914 0.017 0.000 2.407 344 V HA -0.153 3.980 4.120 0.021 0.000 0.248 344 V C 2.988 179.087 176.094 0.009 0.000 1.055 344 V CA 1.418 63.713 62.300 -0.010 0.000 1.049 344 V CB -0.350 31.439 31.823 -0.057 0.000 0.662 344 V HN 0.245 8.435 8.190 -0.000 0.000 0.455 345 V N -1.386 118.540 119.914 0.021 0.000 2.453 345 V HA -0.232 3.901 4.120 0.021 0.000 0.247 345 V C 2.184 178.249 176.094 -0.049 0.000 1.048 345 V CA 1.778 64.058 62.300 -0.032 0.000 1.049 345 V CB -0.801 30.979 31.823 -0.071 0.000 0.672 345 V HN 0.500 8.690 8.190 -0.000 0.000 0.457 346 Y N 0.059 120.341 120.300 -0.030 0.000 2.274 346 Y HA -0.212 4.350 4.550 0.021 0.000 0.290 346 Y C 2.805 178.692 175.900 -0.021 0.000 1.145 346 Y CA 1.854 59.940 58.100 -0.024 0.000 1.203 346 Y CB -0.170 38.276 38.460 -0.023 0.000 0.984 346 Y HN 0.188 8.468 8.280 -0.000 0.000 0.533 347 Q N 0.668 120.539 119.800 0.118 0.000 2.079 347 Q HA -0.167 4.186 4.340 0.021 0.000 0.200 347 Q C 2.137 178.153 176.000 0.028 0.000 0.974 347 Q CA 1.513 57.353 55.803 0.061 0.000 0.840 347 Q CB -0.375 28.386 28.738 0.039 0.000 0.898 347 Q HN 0.549 8.819 8.270 -0.000 0.000 0.430 348 L N -0.250 120.974 121.223 0.003 0.000 2.046 348 L HA -0.170 4.183 4.340 0.021 0.000 0.208 348 L C 2.582 179.434 176.870 -0.030 0.000 1.077 348 L CA 0.869 55.697 54.840 -0.020 0.000 0.747 348 L CB -0.562 41.471 42.059 -0.043 0.000 0.896 348 L HN 0.014 8.244 8.230 -0.000 0.000 0.432 349 V N 0.257 120.138 119.914 -0.055 0.000 2.343 349 V HA -0.196 3.937 4.120 0.021 0.000 0.247 349 V C 2.620 178.696 176.094 -0.029 0.000 1.051 349 V CA 1.992 64.247 62.300 -0.075 0.000 1.036 349 V CB -1.177 30.544 31.823 -0.170 0.000 0.654 349 V HN 0.568 8.758 8.190 -0.000 0.000 0.451 350 G N 0.067 108.870 108.800 0.005 0.000 2.421 350 G HA2 -0.171 3.802 3.960 0.021 0.000 0.216 350 G HA3 -0.171 3.802 3.960 0.021 0.000 0.216 350 G C 1.648 176.562 174.900 0.024 0.000 1.171 350 G CA 0.941 46.057 45.100 0.027 0.000 0.775 350 G HN 0.579 8.869 8.290 -0.000 0.000 0.543 351 G N 0.511 109.325 108.800 0.025 0.000 2.422 351 G HA2 -0.161 3.812 3.960 0.021 0.000 0.218 351 G HA3 -0.161 3.812 3.960 0.021 0.000 0.218 351 G C 1.750 176.668 174.900 0.031 0.000 1.146 351 G CA 0.715 45.834 45.100 0.032 0.000 0.769 351 G HN 0.398 8.688 8.290 -0.000 0.000 0.547 352 L N -0.190 121.040 121.223 0.011 0.000 2.017 352 L HA -0.043 4.310 4.340 0.021 0.000 0.208 352 L C 3.223 180.102 176.870 0.015 0.000 1.073 352 L CA 1.223 56.067 54.840 0.007 0.000 0.745 352 L CB -0.221 41.829 42.059 -0.015 0.000 0.894 352 L HN 0.200 8.430 8.230 -0.000 0.000 0.432 353 R N -0.967 119.535 120.500 0.005 0.000 2.081 353 R HA -0.191 4.162 4.340 0.021 0.000 0.235 353 R C 2.514 178.824 176.300 0.016 0.000 1.131 353 R CA 1.599 57.699 56.100 -0.000 0.000 0.960 353 R CB -0.554 29.740 30.300 -0.009 0.000 0.856 353 R HN 0.343 8.613 8.270 -0.000 0.000 0.436 354 S N 0.445 116.169 115.700 0.040 0.000 2.359 354 S HA -0.240 4.243 4.470 0.021 0.000 0.224 354 S C 2.260 176.978 174.600 0.196 0.000 1.035 354 S CA 1.596 59.845 58.200 0.081 0.000 1.018 354 S CB -0.511 62.761 63.200 0.120 0.000 0.876 354 S HN 0.595 8.905 8.310 -0.000 0.000 0.448 355 C N 1.787 121.188 119.300 0.169 0.000 2.413 355 C HA -0.039 4.434 4.460 0.021 0.000 0.277 355 C C 2.681 177.764 174.990 0.155 0.000 1.228 355 C CA 1.580 60.703 59.018 0.176 0.000 1.731 355 C CB -1.526 26.264 27.740 0.084 0.000 2.042 355 C HN 0.719 8.949 8.230 -0.000 0.000 0.468 356 M N 0.901 120.549 119.600 0.081 0.000 2.296 356 M HA 0.024 4.517 4.480 0.021 0.000 0.265 356 M C 2.275 178.589 176.300 0.025 0.000 1.064 356 M CA 1.644 56.971 55.300 0.045 0.000 1.109 356 M CB -0.760 31.844 32.600 0.007 0.000 1.396 356 M HN 0.695 8.985 8.290 -0.000 0.000 0.430 357 G N -0.706 108.099 108.800 0.009 0.000 2.408 357 G HA2 -0.202 3.771 3.960 0.021 0.000 0.217 357 G HA3 -0.202 3.771 3.960 0.021 0.000 0.217 357 G C 1.220 176.067 174.900 -0.088 0.000 1.150 357 G CA 0.526 45.584 45.100 -0.071 0.000 0.776 357 G HN 0.375 8.665 8.290 -0.000 0.000 0.542 358 Y N -0.310 119.976 120.300 -0.023 0.000 2.242 358 Y HA 0.063 4.633 4.550 0.033 0.000 0.291 358 Y C 2.292 178.188 175.900 -0.007 0.000 1.137 358 Y CA 0.548 58.639 58.100 -0.014 0.000 1.181 358 Y CB 0.148 38.609 38.460 0.001 0.000 0.989 358 Y HN 0.086 8.366 8.280 -0.000 0.000 0.527 359 L N -0.986 120.331 121.223 0.156 0.000 2.592 359 L HA 0.256 4.609 4.340 0.021 0.000 0.227 359 L C 1.414 178.313 176.870 0.049 0.000 1.127 359 L CA 0.708 55.610 54.840 0.103 0.000 0.884 359 L CB -0.403 41.718 42.059 0.103 0.000 1.065 359 L HN 0.225 8.455 8.230 -0.000 0.000 0.457 360 G N -0.037 108.764 108.800 0.002 0.000 2.323 360 G HA2 -0.278 3.695 3.960 0.021 0.000 0.292 360 G HA3 -0.278 3.695 3.960 0.021 0.000 0.292 360 G C 0.140 175.026 174.900 -0.024 0.000 1.040 360 G CA 0.491 45.560 45.100 -0.051 0.000 0.942 360 G HN 0.304 8.594 8.290 -0.000 0.000 0.506 361 S N -0.428 115.264 115.700 -0.013 0.000 2.474 361 S HA 0.676 5.159 4.470 0.021 0.000 0.321 361 S C 1.130 175.708 174.600 -0.036 0.000 1.080 361 S CA 0.168 58.359 58.200 -0.016 0.000 1.106 361 S CB 1.807 65.005 63.200 -0.003 0.000 0.984 361 S HN 1.188 9.498 8.310 -0.000 0.000 0.464 362 A N 2.730 125.525 122.820 -0.042 0.000 2.072 362 A HA 0.307 4.639 4.320 0.021 0.000 0.216 362 A C 1.129 178.676 177.584 -0.062 0.000 1.156 362 A CA 0.591 52.599 52.037 -0.048 0.000 0.701 362 A CB -0.070 18.905 19.000 -0.041 0.000 0.816 362 A HN 0.821 8.971 8.150 -0.000 0.000 0.458 363 S N -2.477 113.175 115.700 -0.080 0.000 2.651 363 S HA 0.597 5.080 4.470 0.021 0.000 0.279 363 S C 0.530 175.024 174.600 -0.177 0.000 1.148 363 S CA -0.428 57.700 58.200 -0.119 0.000 0.837 363 S CB 0.492 63.620 63.200 -0.120 0.000 1.138 363 S HN 0.051 8.361 8.310 -0.000 0.000 0.478 364 I N 1.172 121.584 120.570 -0.264 0.000 2.394 364 I HA 0.003 4.186 4.170 0.021 0.000 0.251 364 I C 3.142 178.826 176.117 -0.721 0.000 1.136 364 I CA 1.795 62.828 61.300 -0.445 0.000 1.425 364 I CB -0.830 36.887 38.000 -0.470 0.000 1.079 364 I HN 0.967 9.177 8.210 -0.000 0.000 0.425 365 E N 0.998 120.859 120.200 -0.566 0.000 2.110 365 E HA -0.267 4.096 4.350 0.021 0.000 0.193 365 E C 1.952 178.457 176.600 -0.160 0.000 0.988 365 E CA 1.557 57.709 56.400 -0.414 0.000 0.804 365 E CB -0.721 28.846 29.700 -0.223 0.000 0.745 365 E HN 0.631 8.991 8.360 -0.000 0.000 0.458 366 E N -0.752 119.371 120.200 -0.127 0.000 2.072 366 E HA -0.095 4.268 4.350 0.021 0.000 0.191 366 E C 2.200 178.799 176.600 -0.002 0.000 0.985 366 E CA 1.020 57.397 56.400 -0.040 0.000 0.801 366 E CB -0.112 29.565 29.700 -0.038 0.000 0.750 366 E HN 0.410 8.770 8.360 -0.000 0.000 0.452 367 L N 0.441 121.634 121.223 -0.050 0.000 2.017 367 L HA -0.182 4.171 4.340 0.021 0.000 0.208 367 L C 1.849 178.829 176.870 0.183 0.000 1.073 367 L CA 1.642 56.501 54.840 0.032 0.000 0.745 367 L CB -0.565 41.486 42.059 -0.013 0.000 0.894 367 L HN 0.247 8.477 8.230 -0.000 0.000 0.432 368 W N 0.428 121.752 121.300 0.040 0.000 2.338 368 W HA -0.187 4.484 4.660 0.019 0.000 0.304 368 W C 2.803 179.344 176.519 0.038 0.000 1.212 368 W CA 2.275 59.645 57.345 0.042 0.000 1.264 368 W CB -1.446 28.035 29.460 0.035 0.000 1.142 368 W HN 0.280 8.460 8.180 -0.000 0.000 0.512 369 K N 0.593 121.145 120.400 0.254 0.000 2.228 369 K HA -0.081 4.252 4.320 0.021 0.000 0.202 369 K C 1.777 178.445 176.600 0.114 0.000 1.051 369 K CA 1.411 57.791 56.287 0.156 0.000 0.960 369 K CB -0.518 32.050 32.500 0.114 0.000 0.743 369 K HN 0.250 8.500 8.250 -0.000 0.000 0.458 370 K N 0.772 121.240 120.400 0.113 0.000 2.360 370 K HA 0.080 4.413 4.320 0.021 0.000 0.196 370 K C 0.431 177.088 176.600 0.095 0.000 1.049 370 K CA 0.403 56.744 56.287 0.090 0.000 1.049 370 K CB 0.837 33.383 32.500 0.077 0.000 0.881 370 K HN 0.432 8.682 8.250 -0.000 0.000 0.542 371 S N 1.305 117.079 115.700 0.123 0.000 2.565 371 S HA 0.336 4.819 4.470 0.021 0.000 0.276 371 S C 0.052 174.717 174.600 0.109 0.000 1.326 371 S CA -0.646 57.633 58.200 0.132 0.000 1.045 371 S CB 1.325 64.632 63.200 0.179 0.000 0.918 371 S HN 0.156 8.466 8.310 -0.000 0.000 0.505 372 S N 1.268 117.028 115.700 0.100 0.000 2.579 372 S HA 0.776 5.259 4.470 0.021 0.000 0.272 372 S C -1.159 173.500 174.600 0.099 0.000 1.141 372 S CA -1.045 57.171 58.200 0.027 0.000 0.843 372 S CB 0.882 64.064 63.200 -0.031 0.000 1.122 372 S HN 1.306 9.616 8.310 -0.000 0.000 0.468 373 Y N -0.901 119.418 120.300 0.032 0.000 2.588 373 Y HA 0.834 5.397 4.550 0.022 0.000 0.343 373 Y C -0.985 174.926 175.900 0.018 0.000 1.065 373 Y CA -1.605 56.511 58.100 0.026 0.000 1.038 373 Y CB 1.016 39.495 38.460 0.033 0.000 1.297 373 Y HN 0.725 9.005 8.280 -0.000 0.000 0.467 374 V N -0.841 119.222 119.914 0.249 0.000 2.547 374 V HA 0.508 4.641 4.120 0.021 0.000 0.299 374 V C -0.235 175.997 176.094 0.230 0.000 1.040 374 V CA -1.106 61.294 62.300 0.167 0.000 0.913 374 V CB 1.559 33.431 31.823 0.082 0.000 0.992 374 V HN 0.906 9.096 8.190 -0.000 0.000 0.449 375 E N 2.843 123.149 120.200 0.176 0.000 2.373 375 E HA 0.505 4.868 4.350 0.021 0.000 0.267 375 E C -0.520 176.123 176.600 0.072 0.000 1.032 375 E CA -0.120 56.355 56.400 0.125 0.000 0.889 375 E CB 1.566 31.326 29.700 0.098 0.000 0.984 375 E HN 0.796 9.156 8.360 -0.000 0.000 0.425 376 I N -1.494 119.107 120.570 0.052 0.000 2.934 376 I HA 0.480 4.663 4.170 0.021 0.000 0.306 376 I C 0.046 176.178 176.117 0.025 0.000 1.110 376 I CA -0.940 60.380 61.300 0.034 0.000 1.019 376 I CB 2.127 40.144 38.000 0.028 0.000 1.227 376 I HN 0.361 8.571 8.210 -0.000 0.000 0.434 377 T N 0.255 114.821 114.554 0.019 0.000 2.902 377 T HA 0.371 4.734 4.350 0.021 0.000 0.280 377 T C 0.356 175.064 174.700 0.014 0.000 0.992 377 T CA -0.366 61.743 62.100 0.016 0.000 1.015 377 T CB 1.585 70.461 68.868 0.013 0.000 1.044 377 T HN 0.822 9.062 8.240 -0.000 0.000 0.520 378 T N 0.000 114.562 114.554 0.013 0.000 3.816 378 T HA 0.000 4.363 4.350 0.021 0.000 0.228 378 T CA 0.000 62.108 62.100 0.014 0.000 1.349 378 T CB 0.000 68.877 68.868 0.015 0.000 0.612 378 T HN 0.000 8.240 8.240 -0.000 0.000 0.658