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 2l3j_1_A DATA FIRST_RESID 1 DATA SEQUENCE PGPVLPKNAL MQLNEIKPGL QYMLLSQTGP VHAPLFVMSV EVNGQVFEGS DATA SEQUENCE GPTKKKAKLH AAEKALRSFV QFPNASEAHL AMGRTLSVNT DFTSDQADFP DATA SEQUENCE DTLFNGFETP DKSEPPFYVG SNGDDSFSSS GDVSLSASPV PASLTQPPLP DATA SEQUENCE IPPPFPPPSG KNPVMILNEL RPGLKYDFLS ESGESHAKSF VMSVVVDGQF DATA SEQUENCE FEGSGRNKKL AKARAAQSAL ATVFNLHLLE HHHHHH 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 P HA 0.000 4.420 4.420 -0.000 0.000 0.216 1 P C 0.000 177.299 177.300 -0.001 0.000 1.155 1 P CA 0.000 63.099 63.100 -0.001 0.000 0.800 1 P CB 0.000 31.699 31.700 -0.001 0.000 0.726 2 G N 0.537 109.336 108.800 -0.002 0.000 2.441 2 G HA2 0.544 4.502 3.960 -0.003 0.000 0.294 2 G HA3 0.544 4.502 3.960 -0.002 0.000 0.294 2 G C -2.868 172.030 174.900 -0.003 0.000 1.393 2 G CA -0.254 44.844 45.100 -0.003 0.000 0.796 2 G HN 0.215 8.503 8.290 -0.002 0.000 0.494 3 P HA 0.568 4.985 4.420 -0.005 0.000 0.286 3 P C -1.136 176.162 177.300 -0.004 0.000 1.293 3 P CA -0.507 62.590 63.100 -0.005 0.000 0.770 3 P CB 1.459 33.155 31.700 -0.005 0.000 1.206 4 V N -4.197 115.715 119.914 -0.004 0.000 3.167 4 V HA 0.708 4.827 4.120 -0.001 0.000 0.310 4 V C -1.506 174.587 176.094 -0.003 0.000 1.207 4 V CA -1.514 60.785 62.300 -0.002 0.000 1.059 4 V CB 3.005 34.827 31.823 -0.001 0.000 1.079 4 V HN 0.283 8.469 8.190 -0.006 0.000 0.446 5 L N -3.009 118.214 121.223 0.000 0.000 2.465 5 L HA 0.537 4.875 4.340 -0.003 0.000 0.257 5 L C -1.911 174.962 176.870 0.006 0.000 0.988 5 L CA -1.845 52.995 54.840 0.000 0.000 0.827 5 L CB 2.089 44.147 42.059 -0.001 0.000 1.397 5 L HN -0.002 8.229 8.230 0.002 0.000 0.410 6 P HA 0.105 4.539 4.420 0.022 0.000 0.236 6 P C 0.646 177.957 177.300 0.018 0.000 1.177 6 P CA 0.657 63.766 63.100 0.015 0.000 0.773 6 P CB 0.576 32.283 31.700 0.012 0.000 0.878 7 K N -0.721 119.685 120.400 0.011 0.000 2.160 7 K HA -0.371 3.956 4.320 0.011 0.000 0.206 7 K C 1.782 178.392 176.600 0.018 0.000 1.047 7 K CA 3.475 59.769 56.287 0.011 0.000 0.930 7 K CB -0.376 32.127 32.500 0.006 0.000 0.720 7 K HN 0.216 8.410 8.250 0.006 0.060 0.450 8 N N -0.363 118.347 118.700 0.018 0.000 2.006 8 N HA -0.393 4.357 4.740 0.017 0.000 0.196 8 N C 1.120 176.648 175.510 0.030 0.000 1.057 8 N CA 3.273 56.336 53.050 0.020 0.000 0.853 8 N CB -0.710 37.787 38.487 0.017 0.000 1.051 8 N HN -0.739 7.635 8.380 0.015 0.015 0.423 9 A N -0.783 122.059 122.820 0.037 0.000 1.978 9 A HA -0.290 4.057 4.320 0.046 0.000 0.220 9 A C 2.392 180.013 177.584 0.062 0.000 1.170 9 A CA 2.635 54.703 52.037 0.050 0.000 0.636 9 A CB -0.675 18.362 19.000 0.062 0.000 0.810 9 A HN 0.223 8.394 8.150 0.035 0.000 0.448 10 L N -1.120 120.135 121.223 0.053 0.000 2.023 10 L HA -0.257 4.130 4.340 0.078 0.000 0.205 10 L C 2.526 179.427 176.870 0.053 0.000 1.073 10 L CA 3.013 57.887 54.840 0.055 0.000 0.745 10 L CB -0.611 41.467 42.059 0.032 0.000 0.900 10 L HN 0.095 8.229 8.230 0.041 0.121 0.435 11 M N -0.657 118.966 119.600 0.038 0.000 2.080 11 M HA -0.533 3.967 4.480 0.034 0.000 0.260 11 M C 1.878 178.204 176.300 0.043 0.000 1.068 11 M CA 4.153 59.474 55.300 0.035 0.000 1.109 11 M CB -0.322 32.292 32.600 0.024 0.000 1.342 11 M HN 0.416 8.611 8.290 0.032 0.113 0.405 12 Q N -0.777 119.048 119.800 0.043 0.000 2.061 12 Q HA -0.320 4.042 4.340 0.037 0.000 0.204 12 Q C 2.218 178.259 176.000 0.069 0.000 0.984 12 Q CA 3.087 58.918 55.803 0.046 0.000 0.846 12 Q CB -0.449 28.312 28.738 0.038 0.000 0.902 12 Q HN -0.040 8.253 8.270 0.039 0.000 0.421 13 L N -0.542 120.730 121.223 0.082 0.000 2.046 13 L HA -0.353 4.058 4.340 0.119 0.000 0.208 13 L C 1.578 178.510 176.870 0.103 0.000 1.077 13 L CA 3.244 58.147 54.840 0.104 0.000 0.747 13 L CB -0.472 41.658 42.059 0.117 0.000 0.896 13 L HN -0.088 8.081 8.230 0.075 0.107 0.432 14 N N -1.516 117.236 118.700 0.086 0.000 2.149 14 N HA -0.391 4.398 4.740 0.082 0.000 0.188 14 N C 2.280 177.832 175.510 0.070 0.000 1.019 14 N CA 3.258 56.352 53.050 0.074 0.000 0.857 14 N CB -0.215 38.305 38.487 0.055 0.000 0.997 14 N HN -0.037 8.319 8.380 0.078 0.071 0.426 15 E N -1.308 118.931 120.200 0.065 0.000 2.015 15 E HA -0.249 4.131 4.350 0.049 0.000 0.191 15 E C 1.721 178.370 176.600 0.083 0.000 0.991 15 E CA 2.123 58.558 56.400 0.058 0.000 0.802 15 E CB 0.039 29.763 29.700 0.041 0.000 0.759 15 E HN -0.257 8.050 8.360 0.062 0.090 0.447 16 I N -6.855 113.784 120.570 0.115 0.000 2.454 16 I HA -0.130 4.113 4.170 0.121 0.000 0.254 16 I C 0.866 177.160 176.117 0.295 0.000 1.156 16 I CA 0.921 62.339 61.300 0.196 0.000 1.433 16 I CB 0.252 38.406 38.000 0.257 0.000 1.082 16 I HN -0.357 7.917 8.210 0.106 0.000 0.432 17 K N 3.381 123.894 120.400 0.189 0.000 2.320 17 K HA -0.152 4.218 4.320 0.083 0.000 0.269 17 K C -0.980 175.689 176.600 0.115 0.000 1.182 17 K CA -0.173 56.187 56.287 0.121 0.000 1.190 17 K CB 0.085 32.636 32.500 0.085 0.000 0.850 17 K HN -0.222 8.083 8.250 0.149 0.034 0.467 18 P HA 0.059 4.543 4.420 0.107 0.000 0.240 18 P C -0.553 176.776 177.300 0.048 0.000 1.190 18 P CA 0.307 63.470 63.100 0.104 0.000 0.781 18 P CB 0.430 32.222 31.700 0.153 0.000 0.931 19 G N -2.318 106.492 108.800 0.018 0.000 2.507 19 G HA2 -0.206 3.767 3.960 0.022 0.000 0.225 19 G HA3 -0.206 3.760 3.960 0.011 0.000 0.225 19 G C -0.916 173.971 174.900 -0.022 0.000 1.078 19 G CA -0.236 44.869 45.100 0.008 0.000 0.939 19 G HN -0.269 7.975 8.290 0.005 0.049 0.538 20 L N -1.745 119.446 121.223 -0.053 0.000 2.456 20 L HA 0.139 4.453 4.340 -0.145 -0.061 0.266 20 L C -1.201 175.635 176.870 -0.058 0.000 1.258 20 L CA -0.065 54.708 54.840 -0.112 0.000 0.823 20 L CB 0.082 42.025 42.059 -0.193 0.000 1.100 20 L HN -0.499 7.709 8.230 -0.038 0.000 0.531 21 Q N -1.882 117.856 119.800 -0.102 0.000 2.347 21 Q HA 0.312 4.682 4.340 0.050 0.000 0.271 21 Q C -1.620 174.333 176.000 -0.078 0.000 1.064 21 Q CA -1.237 54.547 55.803 -0.032 0.000 0.800 21 Q CB 3.683 32.404 28.738 -0.028 0.000 1.304 21 Q HN 0.136 8.303 8.270 -0.172 0.000 0.438 22 Y N 2.616 122.911 120.300 -0.008 0.000 2.361 22 Y HA 0.345 5.014 4.550 0.004 -0.117 0.332 22 Y C -0.247 175.657 175.900 0.007 0.000 1.101 22 Y CA -0.380 57.722 58.100 0.003 0.000 1.137 22 Y CB 2.142 40.608 38.460 0.009 0.000 1.207 22 Y HN 0.277 8.714 8.280 0.262 0.000 0.463 23 M N 1.542 121.243 119.600 0.169 0.000 2.602 23 M HA 0.315 4.855 4.480 0.100 0.000 0.312 23 M C -1.771 174.610 176.300 0.134 0.000 1.181 23 M CA -1.278 54.088 55.300 0.110 0.000 0.910 23 M CB 3.609 36.238 32.600 0.049 0.000 1.723 23 M HN 0.967 9.249 8.290 0.153 0.101 0.459 24 L N 3.763 125.051 121.223 0.108 0.000 2.377 24 L HA 0.402 4.834 4.340 0.153 0.000 0.270 24 L C -2.190 174.729 176.870 0.081 0.000 0.991 24 L CA -0.904 54.012 54.840 0.126 0.000 0.851 24 L CB 0.724 42.874 42.059 0.152 0.000 1.218 24 L HN 0.274 8.555 8.230 0.084 0.000 0.420 25 L N 6.223 127.490 121.223 0.073 0.000 2.492 25 L HA 0.444 4.792 4.340 0.013 0.000 0.263 25 L C 0.528 177.402 176.870 0.007 0.000 1.062 25 L CA -1.422 53.436 54.840 0.030 0.000 0.817 25 L CB 1.557 43.631 42.059 0.024 0.000 1.441 25 L HN 0.762 8.947 8.230 0.096 0.103 0.493 26 S N -0.228 115.456 115.700 -0.027 0.000 4.137 26 S HA -0.541 3.889 4.470 -0.067 0.000 0.550 26 S C -0.663 173.838 174.600 -0.165 0.000 1.887 26 S CA 2.386 60.541 58.200 -0.075 0.000 4.230 26 S CB -0.081 63.084 63.200 -0.059 0.000 0.378 26 S HN 0.097 8.396 8.310 -0.018 0.000 0.490 27 Q N 1.319 120.925 119.800 -0.323 0.000 2.432 27 Q HA -0.427 3.503 4.340 -0.999 -0.189 0.349 27 Q C -1.544 174.218 176.000 -0.397 0.000 1.441 27 Q CA 1.310 56.722 55.803 -0.652 0.000 0.926 27 Q CB -0.810 27.490 28.738 -0.731 0.000 1.124 27 Q HN -0.095 8.013 8.270 -0.270 0.000 0.331 28 T N 3.274 117.637 114.554 -0.319 0.000 2.786 28 T HA 0.292 4.529 4.350 -0.187 0.000 0.316 28 T C -2.176 172.434 174.700 -0.151 0.000 1.503 28 T CA -0.934 61.050 62.100 -0.193 0.000 1.019 28 T CB 1.630 70.420 68.868 -0.130 0.000 1.415 28 T HN -0.267 7.770 8.240 -0.339 0.000 0.496 29 G N 1.402 110.134 108.800 -0.113 0.000 2.325 29 G HA2 -0.054 3.861 3.960 -0.075 0.000 0.285 29 G HA3 -0.054 3.857 3.960 -0.082 0.000 0.285 29 G C -2.767 172.067 174.900 -0.110 0.000 1.303 29 G CA -0.421 44.624 45.100 -0.091 0.000 0.970 29 G HN -0.168 8.058 8.290 -0.107 0.000 0.490 30 P HA 0.175 4.479 4.420 -0.193 0.000 0.274 30 P C 0.262 177.408 177.300 -0.257 0.000 1.256 30 P CA -1.155 61.800 63.100 -0.241 0.000 0.795 30 P CB 0.784 32.257 31.700 -0.378 0.000 1.038 31 V N -1.003 118.729 119.914 -0.303 0.000 3.078 31 V HA -0.186 3.885 4.120 -0.081 0.000 0.265 31 V C -0.150 175.904 176.094 -0.066 0.000 1.122 31 V CA 1.865 64.076 62.300 -0.149 0.000 1.141 31 V CB -0.276 31.499 31.823 -0.079 0.000 0.735 31 V HN 0.124 8.101 8.190 -0.355 0.000 0.498 32 H N -5.084 114.003 119.070 0.029 0.000 3.540 32 H HA 0.139 4.718 4.556 0.039 0.000 0.259 32 H C -1.336 174.017 175.328 0.041 0.000 1.197 32 H CA -0.348 55.720 56.048 0.034 0.000 1.136 32 H CB 0.973 30.749 29.762 0.023 0.000 1.605 32 H HN -0.112 7.685 8.280 -0.686 0.072 0.657 33 A N 1.678 124.549 122.820 0.085 0.000 3.410 33 A HA 0.303 4.707 4.320 0.141 0.000 0.276 33 A C -2.587 175.030 177.584 0.055 0.000 0.995 33 A CA -1.973 50.131 52.037 0.113 0.000 0.934 33 A CB -0.324 18.765 19.000 0.147 0.000 1.191 33 A HN -0.521 7.554 8.150 -0.125 0.000 0.511 34 P HA 0.032 4.430 4.420 -0.037 0.000 0.275 34 P C -2.093 175.285 177.300 0.129 0.000 1.227 34 P CA -0.584 62.549 63.100 0.055 0.000 0.781 34 P CB 1.033 32.802 31.700 0.115 0.000 0.906 35 L N 1.797 123.020 121.223 0.000 0.000 2.333 35 L HA 0.296 4.767 4.340 0.219 0.000 0.280 35 L C -2.464 174.399 176.870 -0.012 0.000 1.004 35 L CA -1.002 53.887 54.840 0.082 0.000 0.820 35 L CB 2.242 44.321 42.059 0.034 0.000 1.247 35 L HN -0.011 8.152 8.230 -0.112 0.000 0.416 36 F N 5.000 124.964 119.950 0.025 0.000 2.495 36 F HA 0.335 4.955 4.527 0.024 -0.079 0.327 36 F C -0.845 174.981 175.800 0.043 0.000 1.103 36 F CA -1.776 56.242 58.000 0.029 0.000 0.949 36 F CB 3.162 42.180 39.000 0.029 0.000 1.142 36 F HN 0.598 9.201 8.300 0.505 0.000 0.457 37 V N -1.259 118.772 119.914 0.195 0.000 2.325 37 V HA 0.772 5.248 4.120 0.171 -0.253 0.280 37 V C -0.605 175.578 176.094 0.148 0.000 1.016 37 V CA -1.773 60.618 62.300 0.151 0.000 0.818 37 V CB 1.144 33.023 31.823 0.093 0.000 1.019 37 V HN 0.673 8.840 8.190 0.139 0.107 0.434 38 M N 8.429 128.131 119.600 0.171 0.000 2.233 38 M HA 0.522 5.272 4.480 0.169 -0.168 0.355 38 M C -0.745 175.636 176.300 0.136 0.000 1.191 38 M CA -0.414 54.993 55.300 0.178 0.000 1.101 38 M CB 2.157 34.895 32.600 0.230 0.000 1.592 38 M HN 0.578 8.977 8.290 0.181 0.000 0.461 39 S N 2.648 118.406 115.700 0.098 0.000 2.502 39 S HA 0.883 5.604 4.470 0.035 -0.230 0.304 39 S C -1.323 173.255 174.600 -0.037 0.000 1.097 39 S CA -1.598 56.619 58.200 0.028 0.000 1.045 39 S CB 2.595 65.793 63.200 -0.003 0.000 1.019 39 S HN 0.561 8.820 8.310 0.112 0.118 0.481 40 V N 4.143 123.989 119.914 -0.113 0.000 2.555 40 V HA 0.687 4.740 4.120 -0.394 -0.170 0.302 40 V C -2.481 173.496 176.094 -0.195 0.000 1.038 40 V CA -2.239 59.873 62.300 -0.313 0.000 0.887 40 V CB 4.140 35.626 31.823 -0.562 0.000 0.991 40 V HN 0.984 9.044 8.190 -0.041 0.106 0.434 41 E N 9.327 129.391 120.200 -0.226 0.000 2.199 41 E HA 0.963 5.494 4.350 -0.130 -0.258 0.265 41 E C -1.930 174.536 176.600 -0.224 0.000 0.882 41 E CA -2.159 54.139 56.400 -0.170 0.000 0.759 41 E CB 3.603 33.224 29.700 -0.132 0.000 1.148 41 E HN 0.915 8.999 8.360 -0.286 0.105 0.412 42 V N 5.986 125.749 119.914 -0.252 0.000 2.686 42 V HA 0.267 4.159 4.120 -0.380 0.000 0.306 42 V C -0.801 175.122 176.094 -0.284 0.000 1.065 42 V CA -1.533 60.510 62.300 -0.428 0.000 0.894 42 V CB 1.968 33.234 31.823 -0.929 0.000 1.004 42 V HN 0.912 9.000 8.190 -0.170 0.000 0.424 43 N N 5.943 124.530 118.700 -0.189 0.000 2.717 43 N HA -0.283 4.449 4.740 -0.015 0.000 0.248 43 N C -0.253 175.239 175.510 -0.031 0.000 1.099 43 N CA 1.725 54.753 53.050 -0.037 0.000 0.843 43 N CB -0.812 37.739 38.487 0.106 0.000 1.155 43 N HN 0.731 8.989 8.380 -0.204 0.000 0.580 44 G N -7.074 101.683 108.800 -0.071 0.000 2.184 44 G HA2 -0.411 3.500 3.960 -0.082 0.000 0.206 44 G HA3 -0.411 3.510 3.960 -0.065 0.000 0.206 44 G C -1.183 173.656 174.900 -0.102 0.000 0.995 44 G CA -0.295 44.759 45.100 -0.077 0.000 0.651 44 G HN -0.209 7.935 8.290 -0.102 0.084 0.511 45 Q N 0.899 120.649 119.800 -0.084 0.000 2.271 45 Q HA 0.342 4.573 4.340 -0.183 0.000 0.258 45 Q C -1.473 174.458 176.000 -0.114 0.000 0.936 45 Q CA -0.953 54.797 55.803 -0.088 0.000 0.909 45 Q CB 2.279 31.090 28.738 0.121 0.000 1.253 45 Q HN 0.218 8.278 8.270 -0.069 0.169 0.440 46 V N 2.422 122.138 119.914 -0.330 0.000 2.588 46 V HA 0.845 5.158 4.120 -0.116 -0.262 0.304 46 V C -0.861 174.889 176.094 -0.572 0.000 1.042 46 V CA -1.830 60.300 62.300 -0.283 0.000 0.877 46 V CB 2.139 33.829 31.823 -0.221 0.000 0.996 46 V HN 0.264 8.154 8.190 -0.499 0.000 0.425 47 F N 5.488 125.375 119.950 -0.105 0.000 2.556 47 F HA 0.302 4.782 4.527 -0.078 0.000 0.314 47 F C -1.601 174.148 175.800 -0.084 0.000 1.106 47 F CA -1.003 56.941 58.000 -0.093 0.000 0.911 47 F CB 4.426 43.365 39.000 -0.101 0.000 1.190 47 F HN 0.666 9.005 8.300 0.064 0.000 0.448 48 E N 3.328 123.573 120.200 0.075 0.000 2.183 48 E HA 0.663 5.232 4.350 0.055 -0.186 0.271 48 E C -1.296 175.345 176.600 0.069 0.000 0.919 48 E CA -1.940 54.491 56.400 0.052 0.000 0.781 48 E CB 3.439 33.151 29.700 0.019 0.000 1.140 48 E HN 0.486 8.893 8.360 0.079 0.000 0.402 49 G N 2.623 111.487 108.800 0.108 0.000 2.643 49 G HA2 0.423 4.514 3.960 0.217 0.000 0.305 49 G HA3 0.423 4.505 3.960 0.202 0.000 0.305 49 G C -2.785 172.236 174.900 0.202 0.000 1.387 49 G CA -0.978 44.233 45.100 0.185 0.000 0.982 49 G HN 0.848 9.096 8.290 0.116 0.111 0.501 50 S N 2.892 118.723 115.700 0.218 0.000 2.461 50 S HA 0.854 5.634 4.470 0.164 -0.212 0.322 50 S C -0.447 174.237 174.600 0.141 0.000 1.063 50 S CA -1.962 56.335 58.200 0.162 0.000 1.120 50 S CB 0.602 63.878 63.200 0.127 0.000 0.968 50 S HN 0.189 8.673 8.310 0.291 0.000 0.467 51 G N 2.633 111.522 108.800 0.149 0.000 2.619 51 G HA2 0.460 4.468 3.960 0.079 0.000 0.296 51 G HA3 0.460 4.463 3.960 0.070 0.000 0.296 51 G C -3.077 171.914 174.900 0.153 0.000 1.334 51 G CA -2.197 42.966 45.100 0.106 0.000 0.934 51 G HN 0.295 8.697 8.290 0.187 0.000 0.476 52 P HA 0.289 5.100 4.420 0.300 -0.211 0.276 52 P C -0.378 176.898 177.300 -0.041 0.000 1.230 52 P CA -0.427 62.756 63.100 0.139 0.000 0.776 52 P CB 0.584 32.340 31.700 0.093 0.000 0.888 53 T N 2.073 116.478 114.554 -0.248 0.000 0.541 53 T HA -0.446 3.002 4.350 -1.503 0.000 0.774 53 T C 1.244 175.440 174.700 -0.839 0.000 0.992 53 T CA 0.938 62.568 62.100 -0.783 0.000 4.077 53 T CB 1.274 69.936 68.868 -0.342 0.000 2.303 53 T HN -0.016 8.281 8.240 0.094 0.000 0.398 54 K N 3.808 123.658 120.400 -0.917 0.000 2.283 54 K HA -0.385 3.688 4.320 -0.411 0.000 0.202 54 K C 1.761 178.220 176.600 -0.236 0.000 1.048 54 K CA 2.888 58.883 56.287 -0.487 0.000 0.948 54 K CB -0.124 32.173 32.500 -0.338 0.000 0.742 54 K HN 0.387 8.069 8.250 -0.946 0.000 0.458 55 K N 0.320 120.591 120.400 -0.215 0.000 1.965 55 K HA -0.465 3.782 4.320 -0.121 0.000 0.218 55 K C 1.595 178.156 176.600 -0.063 0.000 1.048 55 K CA 3.858 60.071 56.287 -0.124 0.000 0.960 55 K CB -0.221 32.215 32.500 -0.108 0.000 0.732 55 K HN -0.633 7.408 8.250 -0.273 0.046 0.444 56 K N -0.939 119.429 120.400 -0.053 0.000 2.103 56 K HA -0.310 4.015 4.320 0.008 0.000 0.207 56 K C 2.103 178.736 176.600 0.054 0.000 1.048 56 K CA 2.954 59.239 56.287 -0.003 0.000 0.930 56 K CB -0.214 32.275 32.500 -0.017 0.000 0.716 56 K HN -0.058 8.142 8.250 -0.083 0.000 0.444 57 A N -1.105 121.743 122.820 0.047 0.000 1.841 57 A HA -0.412 4.004 4.320 0.160 0.000 0.216 57 A C 1.540 179.223 177.584 0.165 0.000 1.199 57 A CA 3.589 55.699 52.037 0.122 0.000 0.621 57 A CB -0.657 18.418 19.000 0.125 0.000 0.835 57 A HN -0.655 7.472 8.150 -0.019 0.012 0.445 58 K N -1.016 119.467 120.400 0.138 0.000 2.152 58 K HA -0.337 4.223 4.320 0.401 0.000 0.206 58 K C 1.937 178.696 176.600 0.264 0.000 1.048 58 K CA 3.059 59.501 56.287 0.260 0.000 0.933 58 K CB -0.160 32.358 32.500 0.031 0.000 0.721 58 K HN -0.533 7.751 8.250 0.056 0.000 0.447 59 L N 1.060 122.374 121.223 0.152 0.000 1.955 59 L HA -0.453 3.967 4.340 0.134 0.000 0.213 59 L C 1.292 178.274 176.870 0.187 0.000 1.072 59 L CA 3.744 58.669 54.840 0.141 0.000 0.755 59 L CB -1.034 41.077 42.059 0.085 0.000 0.888 59 L HN -0.155 8.046 8.230 0.097 0.088 0.432 60 H N -0.481 118.631 119.070 0.069 0.000 2.352 60 H HA -0.472 4.110 4.556 0.044 0.000 0.299 60 H C 1.800 177.170 175.328 0.071 0.000 1.097 60 H CA 3.433 59.517 56.048 0.060 0.000 1.311 60 H CB 0.649 30.447 29.762 0.059 0.000 1.377 60 H HN -0.005 8.430 8.280 0.259 0.000 0.504 61 A N -1.169 121.710 122.820 0.100 0.000 1.865 61 A HA -0.457 3.851 4.320 -0.020 0.000 0.217 61 A C 1.449 179.033 177.584 -0.001 0.000 1.191 61 A CA 3.365 55.424 52.037 0.037 0.000 0.623 61 A CB -0.731 18.335 19.000 0.109 0.000 0.826 61 A HN 0.131 8.399 8.150 0.195 0.000 0.444 62 A N -1.967 120.893 122.820 0.067 0.000 1.883 62 A HA -0.381 3.919 4.320 -0.032 0.000 0.217 62 A C 2.375 179.960 177.584 0.001 0.000 1.186 62 A CA 3.172 55.236 52.037 0.044 0.000 0.624 62 A CB -0.995 18.100 19.000 0.159 0.000 0.822 62 A HN 0.334 8.473 8.150 0.165 0.110 0.444 63 E N -1.754 118.454 120.200 0.014 0.000 2.023 63 E HA -0.426 3.927 4.350 0.005 0.000 0.196 63 E C 2.614 179.145 176.600 -0.114 0.000 1.003 63 E CA 3.330 59.723 56.400 -0.012 0.000 0.809 63 E CB -0.373 29.359 29.700 0.053 0.000 0.755 63 E HN -0.158 8.238 8.360 0.059 0.000 0.449 64 K N -0.719 119.558 120.400 -0.205 0.000 1.991 64 K HA -0.392 3.722 4.320 -0.343 0.000 0.212 64 K C 2.591 178.832 176.600 -0.598 0.000 1.049 64 K CA 3.538 59.595 56.287 -0.384 0.000 0.932 64 K CB -0.181 32.111 32.500 -0.345 0.000 0.717 64 K HN -0.055 8.081 8.250 -0.190 0.000 0.441 65 A N -0.921 121.638 122.820 -0.435 0.000 1.940 65 A HA -0.301 3.646 4.320 -0.622 0.000 0.219 65 A C 1.924 179.435 177.584 -0.122 0.000 1.176 65 A CA 3.039 54.887 52.037 -0.315 0.000 0.631 65 A CB -0.488 18.482 19.000 -0.051 0.000 0.814 65 A HN 0.018 8.031 8.150 -0.228 0.000 0.446 66 L N -0.236 120.951 121.223 -0.061 0.000 1.970 66 L HA -0.421 4.027 4.340 0.180 0.000 0.212 66 L C 1.341 178.215 176.870 0.006 0.000 1.071 66 L CA 3.252 58.120 54.840 0.047 0.000 0.751 66 L CB -0.560 41.513 42.059 0.023 0.000 0.889 66 L HN 0.308 8.369 8.230 -0.088 0.116 0.432 67 R N -2.192 118.253 120.500 -0.091 0.000 2.120 67 R HA -0.353 3.955 4.340 -0.054 0.000 0.234 67 R C 2.379 178.631 176.300 -0.080 0.000 1.123 67 R CA 3.259 59.305 56.100 -0.089 0.000 0.975 67 R CB -0.236 29.997 30.300 -0.112 0.000 0.866 67 R HN 0.015 8.204 8.270 -0.134 0.000 0.446 68 S N -1.113 114.483 115.700 -0.172 0.000 2.357 68 S HA -0.126 4.379 4.470 0.058 0.000 0.221 68 S C 1.860 176.611 174.600 0.252 0.000 1.031 68 S CA 3.125 61.311 58.200 -0.024 0.000 0.982 68 S CB 0.389 63.384 63.200 -0.343 0.000 0.853 68 S HN -0.144 7.946 8.310 -0.349 0.010 0.458 69 F N 4.740 124.709 119.950 0.032 0.000 2.161 69 F HA -0.186 4.452 4.527 0.185 0.000 0.300 69 F C 2.556 178.390 175.800 0.058 0.000 1.089 69 F CA 1.910 59.965 58.000 0.092 0.000 1.282 69 F CB -0.027 38.994 39.000 0.035 0.000 1.010 69 F HN 0.297 8.610 8.300 0.214 0.115 0.485 70 V N -4.500 115.369 119.914 -0.076 0.000 2.982 70 V HA -0.458 3.425 4.120 -0.396 0.000 0.265 70 V C 0.871 176.843 176.094 -0.204 0.000 1.122 70 V CA 2.771 64.938 62.300 -0.221 0.000 1.143 70 V CB -0.767 30.972 31.823 -0.141 0.000 0.726 70 V HN 0.086 8.297 8.190 0.036 0.000 0.507 71 Q N -2.217 117.492 119.800 -0.152 0.000 2.352 71 Q HA -0.010 4.101 4.340 -0.383 0.000 0.212 71 Q C -0.302 175.236 176.000 -0.770 0.000 0.888 71 Q CA 0.573 56.131 55.803 -0.408 0.000 0.934 71 Q CB 2.153 30.662 28.738 -0.381 0.000 1.093 71 Q HN -0.434 7.657 8.270 0.001 0.180 0.523 72 F N -3.572 116.396 119.950 0.029 0.000 2.577 72 F HA 0.391 4.947 4.527 0.048 0.000 0.359 72 F C -1.642 174.238 175.800 0.134 0.000 1.535 72 F CA -2.242 55.810 58.000 0.086 0.000 1.093 72 F CB 0.774 39.858 39.000 0.140 0.000 1.613 72 F HN -0.363 7.828 8.300 0.132 0.189 0.558 73 P HA -0.104 4.063 4.420 -0.423 0.000 0.237 73 P C -1.307 176.075 177.300 0.137 0.000 1.178 73 P CA 1.193 64.184 63.100 -0.182 0.000 0.766 73 P CB 0.254 31.684 31.700 -0.450 0.000 0.876 74 N N -3.068 115.725 118.700 0.154 0.000 2.961 74 N HA 0.012 4.854 4.740 0.170 0.000 0.245 74 N C -2.490 173.126 175.510 0.176 0.000 1.404 74 N CA -0.472 52.667 53.050 0.148 0.000 0.880 74 N CB 2.678 41.212 38.487 0.079 0.000 1.461 74 N HN -0.626 7.771 8.380 0.148 0.071 0.510 75 A N -0.385 122.522 122.820 0.145 0.000 2.606 75 A HA 0.490 4.918 4.320 0.180 0.000 0.293 75 A C -1.757 175.886 177.584 0.098 0.000 1.082 75 A CA 0.109 52.237 52.037 0.152 0.000 0.685 75 A CB 1.460 20.557 19.000 0.161 0.000 1.284 75 A HN -0.060 8.160 8.150 0.116 0.000 0.408 76 S N -2.437 113.319 115.700 0.093 0.000 2.702 76 S HA -0.007 4.496 4.470 0.055 0.000 0.257 76 S C -0.784 173.856 174.600 0.066 0.000 0.981 76 S CA -0.030 58.209 58.200 0.066 0.000 1.414 76 S CB 0.917 64.149 63.200 0.055 0.000 1.239 76 S HN 0.091 8.472 8.310 0.118 0.000 0.676 77 E N 1.222 121.475 120.200 0.088 0.000 2.412 77 E HA 0.203 4.596 4.350 0.071 0.000 0.279 77 E C -2.190 174.479 176.600 0.115 0.000 0.984 77 E CA 0.062 56.518 56.400 0.093 0.000 0.788 77 E CB 1.853 31.611 29.700 0.098 0.000 1.277 77 E HN -0.306 8.120 8.360 0.110 0.000 0.455 78 A N 1.418 124.305 122.820 0.113 0.000 2.602 78 A HA 0.341 4.735 4.320 0.123 0.000 0.290 78 A C -2.184 175.494 177.584 0.157 0.000 1.114 78 A CA -0.385 51.709 52.037 0.095 0.000 0.683 78 A CB 1.353 20.351 19.000 -0.004 0.000 1.281 78 A HN 0.105 8.316 8.150 0.102 0.000 0.416 79 H N -3.027 116.054 119.070 0.018 0.000 2.950 79 H HA 0.707 5.270 4.556 0.012 0.000 0.272 79 H C -1.970 173.363 175.328 0.008 0.000 1.495 79 H CA -0.819 55.239 56.048 0.017 0.000 1.183 79 H CB 1.780 31.558 29.762 0.028 0.000 1.867 79 H HN 0.445 8.571 8.280 -0.256 0.000 0.597 80 L N -0.891 120.385 121.223 0.088 0.000 3.519 80 L HA 0.246 4.523 4.340 -0.104 0.000 0.323 80 L C -1.048 175.904 176.870 0.136 0.000 1.289 80 L CA -0.084 54.767 54.840 0.018 0.000 1.039 80 L CB 0.896 42.960 42.059 0.008 0.000 1.438 80 L HN -0.071 8.320 8.230 0.269 0.000 0.619 81 A N 0.079 123.117 122.820 0.364 0.000 2.265 81 A HA -0.009 4.390 4.320 0.131 0.000 0.213 81 A C -0.337 177.361 177.584 0.190 0.000 1.255 81 A CA 1.089 53.263 52.037 0.229 0.000 0.862 81 A CB -0.157 18.932 19.000 0.148 0.000 0.852 81 A HN -0.366 8.253 8.150 0.783 0.000 0.484 82 M N -5.346 114.357 119.600 0.172 0.000 2.716 82 M HA 0.384 4.925 4.480 0.103 0.000 0.278 82 M C -1.053 175.280 176.300 0.055 0.000 1.281 82 M CA -0.714 54.657 55.300 0.120 0.000 0.814 82 M CB 2.578 35.285 32.600 0.179 0.000 1.719 82 M HN -0.645 7.611 8.290 0.140 0.118 0.457 83 G N -0.890 107.938 108.800 0.046 0.000 2.490 83 G HA2 0.203 4.170 3.960 0.012 0.000 0.308 83 G HA3 0.203 4.176 3.960 0.022 0.000 0.308 83 G C -2.321 172.597 174.900 0.030 0.000 1.286 83 G CA -0.501 44.615 45.100 0.025 0.000 0.825 83 G HN 0.040 8.364 8.290 0.058 0.000 0.479 84 R N -0.857 119.657 120.500 0.022 0.000 2.799 84 R HA 0.672 5.030 4.340 0.030 0.000 0.270 84 R C -1.566 174.747 176.300 0.020 0.000 1.010 84 R CA -0.433 55.682 56.100 0.025 0.000 0.916 84 R CB 2.581 32.897 30.300 0.026 0.000 1.228 84 R HN 0.683 8.962 8.270 0.015 0.000 0.469 85 T N 1.227 115.794 114.554 0.022 0.000 2.647 85 T HA 0.380 4.739 4.350 0.016 0.000 0.295 85 T C -2.003 172.709 174.700 0.020 0.000 1.126 85 T CA -0.646 61.466 62.100 0.019 0.000 1.040 85 T CB 1.377 70.257 68.868 0.019 0.000 1.472 85 T HN 0.209 8.464 8.240 0.025 0.000 0.500 86 L N -0.749 120.485 121.223 0.019 0.000 2.277 86 L HA 0.546 4.899 4.340 0.022 0.000 0.254 86 L C -1.896 174.987 176.870 0.020 0.000 1.044 86 L CA -0.506 54.346 54.840 0.020 0.000 0.842 86 L CB 1.468 43.538 42.059 0.018 0.000 1.422 86 L HN 0.254 8.494 8.230 0.017 0.000 0.422 87 S N -0.053 115.660 115.700 0.022 0.000 2.705 87 S HA 0.070 4.553 4.470 0.021 0.000 0.280 87 S C -1.451 173.164 174.600 0.024 0.000 1.174 87 S CA -0.228 57.986 58.200 0.023 0.000 0.823 87 S CB 1.150 64.364 63.200 0.024 0.000 1.162 87 S HN -0.416 7.907 8.310 0.023 0.000 0.487 88 V N 1.200 121.131 119.914 0.027 0.000 3.509 88 V HA 0.274 4.413 4.120 0.032 0.000 0.286 88 V C -1.232 174.886 176.094 0.039 0.000 1.618 88 V CA 0.408 62.727 62.300 0.031 0.000 1.088 88 V CB 1.271 33.109 31.823 0.025 0.000 0.909 88 V HN 0.169 8.375 8.190 0.026 0.000 0.429 89 N N 2.810 121.533 118.700 0.038 0.000 2.535 89 N HA -0.060 4.711 4.740 0.053 0.000 0.203 89 N C -0.302 175.242 175.510 0.057 0.000 1.301 89 N CA 1.609 54.688 53.050 0.047 0.000 0.859 89 N CB -0.632 37.878 38.487 0.038 0.000 1.055 89 N HN -0.384 8.015 8.380 0.032 0.000 0.457 90 T N -10.216 104.372 114.554 0.057 0.000 3.144 90 T HA 0.165 4.546 4.350 0.051 0.000 0.290 90 T C 0.006 174.747 174.700 0.069 0.000 0.966 90 T CA -0.950 61.181 62.100 0.052 0.000 0.907 90 T CB 1.269 70.156 68.868 0.032 0.000 1.152 90 T HN -0.996 7.132 8.240 0.052 0.143 0.532 91 D N 0.451 120.907 120.400 0.094 0.000 2.392 91 D HA -0.101 4.590 4.640 0.084 0.000 0.228 91 D C -0.356 176.072 176.300 0.213 0.000 1.003 91 D CA 0.974 55.042 54.000 0.113 0.000 0.917 91 D CB 0.513 41.365 40.800 0.088 0.000 0.890 91 D HN -0.395 8.027 8.370 0.087 0.000 0.532 92 F N -1.935 118.016 119.950 0.002 0.000 2.715 92 F HA 0.319 4.846 4.527 -0.001 0.000 0.318 92 F C -1.893 173.905 175.800 -0.002 0.000 1.141 92 F CA -1.090 56.910 58.000 -0.000 0.000 0.950 92 F CB 2.020 41.021 39.000 0.001 0.000 1.374 92 F HN -0.804 7.522 8.300 0.199 0.094 0.477 93 T N 0.195 114.174 114.554 -0.957 0.000 2.762 93 T HA 0.321 4.476 4.350 -0.325 0.000 0.301 93 T C -1.494 172.732 174.700 -0.790 0.000 1.299 93 T CA -1.014 60.719 62.100 -0.612 0.000 1.005 93 T CB 0.892 69.540 68.868 -0.367 0.000 1.377 93 T HN -0.034 6.852 8.240 -2.256 0.000 0.504 94 S N 1.054 116.535 115.700 -0.365 0.000 3.009 94 S HA 0.183 4.493 4.470 -0.267 0.000 0.254 94 S C -1.759 172.755 174.600 -0.144 0.000 1.004 94 S CA 0.080 58.145 58.200 -0.224 0.000 1.119 94 S CB 1.372 64.517 63.200 -0.091 0.000 1.075 94 S HN 0.123 8.279 8.310 -0.255 0.000 0.618 95 D N 1.006 121.308 120.400 -0.163 0.000 2.583 95 D HA 0.261 4.842 4.640 -0.098 0.000 0.248 95 D C -2.026 174.185 176.300 -0.150 0.000 1.209 95 D CA -0.127 53.800 54.000 -0.122 0.000 0.848 95 D CB 2.068 42.814 40.800 -0.089 0.000 1.431 95 D HN -0.664 7.580 8.370 -0.211 0.000 0.436 96 Q N -1.259 118.448 119.800 -0.156 0.000 2.737 96 Q HA 0.451 4.686 4.340 -0.175 0.000 0.307 96 Q C -1.969 173.896 176.000 -0.226 0.000 0.905 96 Q CA -0.921 54.758 55.803 -0.206 0.000 0.753 96 Q CB 2.644 31.218 28.738 -0.273 0.000 1.463 96 Q HN -0.176 8.015 8.270 -0.132 0.000 0.455 97 A N -1.539 121.120 122.820 -0.268 0.000 2.622 97 A HA 0.233 4.431 4.320 -0.202 0.000 0.283 97 A C -1.818 175.594 177.584 -0.286 0.000 0.998 97 A CA 0.329 52.231 52.037 -0.225 0.000 0.985 97 A CB 0.519 19.449 19.000 -0.117 0.000 1.236 97 A HN 0.103 8.091 8.150 -0.271 0.000 0.559 98 D N -2.482 117.609 120.400 -0.515 0.000 2.643 98 D HA 0.662 5.167 4.640 -0.224 0.000 0.283 98 D C -2.086 173.740 176.300 -0.790 0.000 1.242 98 D CA -0.465 53.279 54.000 -0.426 0.000 0.863 98 D CB 2.502 43.191 40.800 -0.184 0.000 1.382 98 D HN -0.223 7.778 8.370 -0.615 0.000 0.444 99 F N -1.611 118.331 119.950 -0.013 0.000 2.645 99 F HA 0.328 4.845 4.527 -0.016 0.000 0.310 99 F C -1.771 174.023 175.800 -0.011 0.000 1.102 99 F CA -1.609 56.382 58.000 -0.015 0.000 0.952 99 F CB 0.596 39.585 39.000 -0.019 0.000 1.326 99 F HN -0.316 8.028 8.300 0.073 0.000 0.456 100 P HA 0.250 4.714 4.420 0.074 0.000 0.274 100 P C -1.711 175.641 177.300 0.086 0.000 1.256 100 P CA -0.096 63.063 63.100 0.099 0.000 0.795 100 P CB 1.157 32.902 31.700 0.076 0.000 1.038 101 D N -3.865 116.571 120.400 0.060 0.000 2.583 101 D HA -0.050 4.613 4.640 0.038 0.000 0.282 101 D C -0.226 176.104 176.300 0.049 0.000 1.485 101 D CA -0.093 53.935 54.000 0.048 0.000 0.834 101 D CB -0.275 40.555 40.800 0.049 0.000 1.258 101 D HN 0.002 8.406 8.370 0.057 0.000 0.470 102 T N -0.940 113.648 114.554 0.057 0.000 2.795 102 T HA -0.082 4.305 4.350 0.062 0.000 0.314 102 T C 0.941 175.697 174.700 0.093 0.000 1.069 102 T CA -0.249 61.892 62.100 0.070 0.000 1.071 102 T CB 0.689 69.602 68.868 0.075 0.000 0.988 102 T HN -0.607 7.666 8.240 0.055 0.000 0.543 103 L N -1.519 119.764 121.223 0.101 0.000 2.473 103 L HA 0.037 4.453 4.340 0.126 0.000 0.265 103 L C -1.117 175.891 176.870 0.230 0.000 1.243 103 L CA 0.335 55.253 54.840 0.130 0.000 0.822 103 L CB 0.690 42.802 42.059 0.087 0.000 1.101 103 L HN 0.163 8.442 8.230 0.082 0.000 0.507 104 F N -0.998 118.963 119.950 0.019 0.000 3.031 104 F HA 0.188 4.726 4.527 0.018 0.000 0.365 104 F C -1.668 174.143 175.800 0.018 0.000 1.128 104 F CA 0.187 58.197 58.000 0.017 0.000 1.068 104 F CB 1.274 40.282 39.000 0.014 0.000 1.280 104 F HN 0.027 8.457 8.300 0.216 0.000 0.529 105 N N -1.532 117.170 118.700 0.003 0.000 2.927 105 N HA 0.130 4.779 4.740 -0.152 0.000 0.248 105 N C -1.627 173.887 175.510 0.008 0.000 1.443 105 N CA -0.731 52.288 53.050 -0.052 0.000 0.870 105 N CB 1.918 40.404 38.487 -0.001 0.000 1.444 105 N HN -0.697 7.729 8.380 0.078 0.000 0.519 106 G N -1.566 107.251 108.800 0.028 0.000 2.387 106 G HA2 0.091 4.105 3.960 0.090 0.000 0.294 106 G HA3 0.091 4.112 3.960 0.047 -0.033 0.294 106 G C -3.413 171.592 174.900 0.175 0.000 1.509 106 G CA 0.543 45.690 45.100 0.077 0.000 0.806 106 G HN -0.041 8.259 8.290 0.016 0.000 0.546 107 F N -0.420 119.513 119.950 -0.028 0.000 2.789 107 F HA 0.179 4.685 4.527 -0.034 0.000 0.319 107 F C -2.618 173.167 175.800 -0.025 0.000 1.168 107 F CA -0.677 57.307 58.000 -0.027 0.000 0.934 107 F CB 4.079 43.069 39.000 -0.016 0.000 1.375 107 F HN -0.015 8.386 8.300 0.168 0.000 0.480 108 E N 0.722 120.228 120.200 -1.157 0.000 2.343 108 E HA 0.227 4.310 4.350 -0.444 0.000 0.278 108 E C -1.852 174.123 176.600 -1.042 0.000 0.910 108 E CA -1.664 54.266 56.400 -0.783 0.000 0.757 108 E CB 2.612 32.038 29.700 -0.457 0.000 1.218 108 E HN 0.146 6.930 8.360 -2.626 0.000 0.435 109 T N 6.460 120.727 114.554 -0.478 0.000 2.871 109 T HA -0.027 4.212 4.350 -0.186 0.000 0.296 109 T C -0.769 173.789 174.700 -0.237 0.000 0.998 109 T CA -0.485 61.458 62.100 -0.262 0.000 1.162 109 T CB 0.322 69.128 68.868 -0.104 0.000 0.947 109 T HN -0.067 7.986 8.240 -0.312 0.000 0.536 110 P HA 0.055 4.398 4.420 -0.128 0.000 0.237 110 P C -1.052 176.213 177.300 -0.059 0.000 1.178 110 P CA 0.632 63.683 63.100 -0.082 0.000 0.766 110 P CB 0.725 32.437 31.700 0.021 0.000 0.876 111 D N -3.399 116.969 120.400 -0.053 0.000 2.692 111 D HA 0.069 4.683 4.640 -0.044 0.000 0.303 111 D C -0.843 175.434 176.300 -0.038 0.000 1.278 111 D CA -1.590 52.386 54.000 -0.041 0.000 0.852 111 D CB 2.135 42.917 40.800 -0.030 0.000 1.375 111 D HN -1.004 7.270 8.370 -0.054 0.063 0.453 112 K N -1.097 119.285 120.400 -0.030 0.000 2.360 112 K HA -0.121 4.181 4.320 -0.032 0.000 0.201 112 K C -0.601 175.990 176.600 -0.015 0.000 1.046 112 K CA 1.450 57.722 56.287 -0.025 0.000 0.940 112 K CB 0.121 32.608 32.500 -0.021 0.000 0.748 112 K HN 0.148 8.381 8.250 -0.029 0.000 0.465 113 S N -4.185 111.510 115.700 -0.008 0.000 2.688 113 S HA 0.077 4.556 4.470 0.015 0.000 0.275 113 S C -1.788 172.821 174.600 0.015 0.000 1.175 113 S CA -1.251 56.955 58.200 0.009 0.000 0.818 113 S CB 2.520 65.728 63.200 0.014 0.000 1.157 113 S HN -0.993 7.390 8.310 -0.015 -0.082 0.482 114 E N 1.584 121.813 120.200 0.047 0.000 2.437 114 E HA 0.035 4.430 4.350 0.076 0.000 0.263 114 E C -1.128 175.428 176.600 -0.074 0.000 1.030 114 E CA -0.849 55.586 56.400 0.059 0.000 0.934 114 E CB -0.169 29.651 29.700 0.200 0.000 0.943 114 E HN 0.123 8.522 8.360 0.065 0.000 0.444 115 P HA 0.256 4.562 4.420 -0.190 0.000 0.276 115 P C -2.307 174.576 177.300 -0.695 0.000 1.261 115 P CA -1.495 61.406 63.100 -0.331 0.000 0.800 115 P CB -0.375 31.172 31.700 -0.256 0.000 1.066 116 P HA -0.004 4.277 4.420 -0.232 0.000 0.270 116 P C -1.679 175.184 177.300 -0.728 0.000 1.221 116 P CA 0.339 63.205 63.100 -0.390 0.000 0.788 116 P CB 0.338 31.958 31.700 -0.133 0.000 0.904 117 F N -3.041 116.861 119.950 -0.080 0.000 2.901 117 F HA 0.250 4.644 4.527 -0.223 0.000 0.329 117 F C -1.082 174.349 175.800 -0.615 0.000 1.185 117 F CA 0.048 57.841 58.000 -0.344 0.000 1.114 117 F CB 0.903 39.621 39.000 -0.469 0.000 1.199 117 F HN -0.056 8.277 8.300 0.055 0.000 0.513 118 Y N -1.452 118.909 120.300 0.102 0.000 2.779 118 Y HA 0.261 4.848 4.550 0.061 0.000 0.251 118 Y C -0.493 175.412 175.900 0.009 0.000 1.145 118 Y CA -0.890 57.244 58.100 0.057 0.000 1.201 118 Y CB 1.307 39.802 38.460 0.059 0.000 1.281 118 Y HN -0.365 7.981 8.280 0.110 0.000 0.563 119 V N -3.400 116.558 119.914 0.074 0.000 3.165 119 V HA 0.274 4.411 4.120 0.027 0.000 0.309 119 V C -1.588 174.471 176.094 -0.058 0.000 1.267 119 V CA -1.756 60.555 62.300 0.019 0.000 1.067 119 V CB 2.093 33.932 31.823 0.025 0.000 1.082 119 V HN -0.786 7.419 8.190 0.025 0.000 0.451 120 G N -0.817 107.935 108.800 -0.080 0.000 5.284 120 G HA2 0.144 3.961 3.960 -0.239 0.000 0.236 120 G HA3 0.144 3.971 3.960 -0.222 0.000 0.236 120 G C -0.516 174.317 174.900 -0.111 0.000 0.870 120 G CA 0.814 45.809 45.100 -0.175 0.000 0.724 120 G HN 0.122 8.384 8.290 -0.046 0.000 0.336 121 S N -0.921 114.757 115.700 -0.037 0.000 3.021 121 S HA 0.215 4.690 4.470 0.008 0.000 0.252 121 S C -0.621 173.991 174.600 0.021 0.000 0.996 121 S CA 0.198 58.397 58.200 -0.002 0.000 1.084 121 S CB 0.801 63.997 63.200 -0.006 0.000 1.021 121 S HN -0.209 8.084 8.310 -0.028 0.000 0.566 122 N N 0.022 118.743 118.700 0.034 0.000 2.194 122 N HA 0.178 4.935 4.740 0.027 0.000 0.231 122 N C -0.487 175.058 175.510 0.058 0.000 1.247 122 N CA 0.132 53.202 53.050 0.034 0.000 0.884 122 N CB 2.355 40.851 38.487 0.015 0.000 1.146 122 N HN -0.084 8.318 8.380 0.037 0.000 0.516 123 G N -0.487 108.381 108.800 0.113 0.000 2.441 123 G HA2 0.033 4.038 3.960 0.076 0.000 0.294 123 G HA3 0.033 4.073 3.960 0.134 0.000 0.294 123 G C -2.350 172.699 174.900 0.249 0.000 1.393 123 G CA 0.535 45.717 45.100 0.137 0.000 0.796 123 G HN -0.528 7.840 8.290 0.130 0.000 0.494 124 D N -3.658 116.799 120.400 0.095 0.000 2.583 124 D HA 0.066 4.768 4.640 0.103 0.000 0.282 124 D C -1.898 174.157 176.300 -0.409 0.000 1.485 124 D CA 0.634 54.600 54.000 -0.056 0.000 0.834 124 D CB 1.087 41.901 40.800 0.024 0.000 1.258 124 D HN -0.032 8.346 8.370 0.013 0.000 0.470 125 D N -0.481 119.708 120.400 -0.352 0.000 2.712 125 D HA 0.173 4.583 4.640 -0.383 0.000 0.300 125 D C -0.830 175.338 176.300 -0.220 0.000 1.521 125 D CA 0.637 54.459 54.000 -0.295 0.000 0.790 125 D CB 0.377 41.094 40.800 -0.138 0.000 1.155 125 D HN -0.228 8.024 8.370 -0.197 0.000 0.456 126 S N -1.394 114.140 115.700 -0.276 0.000 3.009 126 S HA 0.190 4.661 4.470 0.002 0.000 0.254 126 S C -0.521 174.114 174.600 0.057 0.000 1.004 126 S CA 0.359 58.539 58.200 -0.034 0.000 1.119 126 S CB 0.454 63.695 63.200 0.068 0.000 1.075 126 S HN 0.114 8.092 8.310 -0.554 0.000 0.618 127 F N -3.532 116.411 119.950 -0.012 0.000 2.875 127 F HA 0.503 5.014 4.527 -0.028 0.000 0.334 127 F C -1.370 174.416 175.800 -0.023 0.000 1.228 127 F CA -0.136 57.852 58.000 -0.020 0.000 1.094 127 F CB 0.924 39.915 39.000 -0.015 0.000 1.239 127 F HN -0.475 7.372 8.300 -0.756 0.000 0.509 128 S N -0.204 115.367 115.700 -0.214 0.000 3.009 128 S HA 0.196 4.646 4.470 -0.033 0.000 0.254 128 S C -0.697 173.838 174.600 -0.109 0.000 1.004 128 S CA 0.479 58.590 58.200 -0.149 0.000 1.119 128 S CB 0.874 63.914 63.200 -0.266 0.000 1.075 128 S HN 0.046 8.188 8.310 -0.280 0.000 0.618 129 S N 0.619 116.256 115.700 -0.106 0.000 2.656 129 S HA 0.224 4.647 4.470 -0.078 0.000 0.273 129 S C -1.323 173.178 174.600 -0.165 0.000 1.168 129 S CA -0.851 57.290 58.200 -0.098 0.000 0.817 129 S CB 0.577 63.740 63.200 -0.061 0.000 1.146 129 S HN -0.703 7.542 8.310 -0.109 0.000 0.475 130 S N -0.133 115.455 115.700 -0.187 0.000 2.904 130 S HA 0.221 4.393 4.470 -0.496 0.000 0.260 130 S C -0.367 174.075 174.600 -0.262 0.000 1.000 130 S CA -0.259 57.760 58.200 -0.302 0.000 1.274 130 S CB 1.130 64.226 63.200 -0.174 0.000 1.196 130 S HN 0.291 8.532 8.310 -0.116 0.000 0.678 131 G N 1.412 110.164 108.800 -0.080 0.000 2.338 131 G HA2 -0.027 4.195 3.960 0.306 0.000 0.295 131 G HA3 -0.027 4.172 3.960 0.025 -0.225 0.295 131 G C -3.260 171.697 174.900 0.095 0.000 1.461 131 G CA 0.887 46.042 45.100 0.092 0.000 0.817 131 G HN -0.782 7.474 8.290 -0.057 0.000 0.556 132 D N -1.817 118.638 120.400 0.092 0.000 2.557 132 D HA 0.191 4.830 4.640 -0.002 0.000 0.317 132 D C -1.269 175.025 176.300 -0.010 0.000 1.403 132 D CA 0.634 54.652 54.000 0.029 0.000 0.886 132 D CB 2.278 43.108 40.800 0.049 0.000 1.363 132 D HN -0.167 8.272 8.370 0.114 0.000 0.458 133 V N -0.935 118.970 119.914 -0.014 0.000 3.048 133 V HA 0.314 4.408 4.120 -0.043 0.000 0.303 133 V C -2.337 173.730 176.094 -0.046 0.000 1.214 133 V CA -1.418 60.862 62.300 -0.033 0.000 0.984 133 V CB 2.316 34.125 31.823 -0.024 0.000 1.054 133 V HN -0.743 7.451 8.190 0.005 0.000 0.430 134 S N 2.377 118.045 115.700 -0.053 0.000 2.874 134 S HA 0.301 4.754 4.470 -0.029 0.000 0.257 134 S C -1.320 173.273 174.600 -0.013 0.000 0.975 134 S CA 0.166 58.337 58.200 -0.048 0.000 1.326 134 S CB 1.175 64.302 63.200 -0.123 0.000 1.215 134 S HN -0.026 8.256 8.310 -0.047 0.000 0.679 135 L N 0.136 121.351 121.223 -0.012 0.000 3.429 135 L HA 0.231 4.579 4.340 0.012 0.000 0.311 135 L C -0.623 176.245 176.870 -0.003 0.000 1.274 135 L CA 0.375 55.215 54.840 0.000 0.000 1.037 135 L CB 1.017 43.076 42.059 -0.001 0.000 1.433 135 L HN -0.506 7.712 8.230 -0.021 0.000 0.614 136 S N -0.742 114.953 115.700 -0.009 0.000 2.671 136 S HA 0.162 4.625 4.470 -0.011 0.000 0.277 136 S C -1.521 173.068 174.600 -0.018 0.000 1.165 136 S CA -0.986 57.205 58.200 -0.015 0.000 0.822 136 S CB 1.634 64.821 63.200 -0.023 0.000 1.150 136 S HN -0.749 7.555 8.310 -0.010 0.000 0.479 137 A N 0.171 122.974 122.820 -0.028 0.000 2.630 137 A HA 0.361 4.661 4.320 -0.033 0.000 0.287 137 A C -0.406 177.144 177.584 -0.058 0.000 1.040 137 A CA -0.197 51.818 52.037 -0.037 0.000 0.971 137 A CB 0.799 19.779 19.000 -0.033 0.000 1.241 137 A HN 0.223 8.355 8.150 -0.030 0.000 0.558 138 S N 1.047 116.713 115.700 -0.058 0.000 2.423 138 S HA -0.011 4.414 4.470 -0.076 0.000 0.231 138 S C -1.242 173.307 174.600 -0.084 0.000 1.014 138 S CA 1.391 59.550 58.200 -0.070 0.000 0.965 138 S CB -1.080 62.084 63.200 -0.060 0.000 0.785 138 S HN -0.293 7.988 8.310 -0.048 0.000 0.495 139 P HA -0.135 4.452 4.420 -0.120 -0.238 0.271 139 P C -0.885 176.353 177.300 -0.103 0.000 1.228 139 P CA 0.078 63.114 63.100 -0.106 0.000 0.797 139 P CB 0.754 32.390 31.700 -0.107 0.000 0.914 140 V N -6.813 113.034 119.914 -0.110 0.000 2.656 140 V HA 0.381 4.444 4.120 -0.095 0.000 0.312 140 V C -1.573 174.471 176.094 -0.083 0.000 1.181 140 V CA -2.643 59.599 62.300 -0.097 0.000 1.250 140 V CB -1.001 30.765 31.823 -0.095 0.000 1.468 140 V HN -0.080 8.031 8.190 -0.132 0.000 0.651 141 P HA 0.248 4.641 4.420 -0.045 0.000 0.282 141 P C -0.701 176.588 177.300 -0.018 0.000 1.286 141 P CA -0.432 62.646 63.100 -0.036 0.000 0.777 141 P CB 1.287 32.984 31.700 -0.005 0.000 1.184 142 A N -1.644 121.181 122.820 0.009 0.000 2.524 142 A HA 0.271 4.590 4.320 -0.001 0.000 0.289 142 A C -1.461 176.139 177.584 0.027 0.000 1.248 142 A CA -0.048 51.996 52.037 0.012 0.000 0.712 142 A CB 2.355 21.363 19.000 0.014 0.000 1.312 142 A HN 0.031 8.198 8.150 0.028 0.000 0.441 143 S N -1.380 114.335 115.700 0.025 0.000 2.993 143 S HA 0.184 4.674 4.470 0.033 0.000 0.257 143 S C -0.219 174.398 174.600 0.028 0.000 0.997 143 S CA -0.065 58.152 58.200 0.028 0.000 1.191 143 S CB 1.101 64.314 63.200 0.023 0.000 1.143 143 S HN 0.620 8.942 8.310 0.020 0.000 0.655 144 L N -0.892 120.350 121.223 0.031 0.000 3.976 144 L HA -0.245 4.114 4.340 0.032 0.000 0.418 144 L C -1.478 175.408 176.870 0.027 0.000 1.177 144 L CA 1.438 56.297 54.840 0.031 0.000 0.968 144 L CB -2.312 39.769 42.059 0.036 0.000 1.933 144 L HN 0.700 8.949 8.230 0.031 0.000 0.976 145 T N -3.093 111.476 114.554 0.026 0.000 3.041 145 T HA 0.079 4.446 4.350 0.028 0.000 0.276 145 T C -0.270 174.447 174.700 0.029 0.000 0.948 145 T CA 0.746 62.863 62.100 0.028 0.000 0.885 145 T CB 0.882 69.768 68.868 0.029 0.000 1.175 145 T HN -0.159 8.053 8.240 0.024 0.042 0.529 146 Q N 0.986 120.799 119.800 0.022 0.000 2.386 146 Q HA 0.437 4.789 4.340 0.020 0.000 0.274 146 Q C -2.694 173.310 176.000 0.006 0.000 1.011 146 Q CA -2.395 53.418 55.803 0.018 0.000 0.867 146 Q CB 1.249 29.999 28.738 0.021 0.000 1.409 146 Q HN -0.588 7.694 8.270 0.020 0.000 0.395 147 P HA -0.023 4.393 4.420 -0.006 0.000 0.267 147 P C -1.341 175.949 177.300 -0.016 0.000 1.195 147 P CA -0.873 62.221 63.100 -0.011 0.000 0.773 147 P CB -0.327 31.360 31.700 -0.021 0.000 0.837 148 P HA -0.062 4.342 4.420 -0.026 0.000 0.242 148 P C -0.986 176.288 177.300 -0.043 0.000 1.197 148 P CA 0.023 63.106 63.100 -0.028 0.000 0.765 148 P CB 0.414 32.098 31.700 -0.026 0.000 0.936 149 L N 0.570 121.769 121.223 -0.041 0.000 2.483 149 L HA 0.035 4.343 4.340 -0.053 0.000 0.276 149 L C -0.564 176.267 176.870 -0.064 0.000 1.213 149 L CA -1.430 53.381 54.840 -0.048 0.000 0.843 149 L CB -1.304 40.733 42.059 -0.037 0.000 1.107 149 L HN -0.508 7.620 8.230 -0.033 0.082 0.487 150 P HA -0.031 4.280 4.420 -0.182 0.000 0.234 150 P C -1.054 176.179 177.300 -0.111 0.000 1.162 150 P CA 0.966 63.970 63.100 -0.160 0.000 0.759 150 P CB 0.120 31.692 31.700 -0.213 0.000 0.813 151 I N -4.411 116.155 120.570 -0.008 0.000 2.827 151 I HA 0.261 4.544 4.170 0.188 0.000 0.298 151 I C -2.678 173.455 176.117 0.026 0.000 1.235 151 I CA -4.090 57.263 61.300 0.089 0.000 1.021 151 I CB 2.996 41.079 38.000 0.138 0.000 1.259 151 I HN -0.839 7.225 8.210 -0.027 0.129 0.427 152 P HA 0.204 4.632 4.420 0.014 0.000 0.271 152 P C -2.302 174.959 177.300 -0.064 0.000 1.233 152 P CA -1.043 62.075 63.100 0.029 0.000 0.795 152 P CB -0.574 31.231 31.700 0.175 0.000 0.936 153 P HA 0.151 4.452 4.420 -0.198 0.000 0.272 153 P C -2.248 174.681 177.300 -0.618 0.000 1.240 153 P CA -1.260 61.647 63.100 -0.322 0.000 0.791 153 P CB -0.863 30.659 31.700 -0.296 0.000 0.978 154 P HA -0.073 4.221 4.420 -0.210 0.000 0.269 154 P C -1.631 175.291 177.300 -0.631 0.000 1.211 154 P CA 0.754 63.639 63.100 -0.360 0.000 0.781 154 P CB 0.316 31.916 31.700 -0.167 0.000 0.877 155 F N -2.176 117.797 119.950 0.038 0.000 2.631 155 F HA 0.316 4.871 4.527 0.047 0.000 0.308 155 F C -2.060 173.752 175.800 0.020 0.000 1.097 155 F CA -3.245 54.776 58.000 0.034 0.000 0.952 155 F CB 2.134 41.150 39.000 0.025 0.000 1.307 155 F HN -0.276 8.058 8.300 0.058 0.000 0.450 156 P HA 0.237 4.716 4.420 0.098 0.000 0.276 156 P C -1.919 175.430 177.300 0.083 0.000 1.230 156 P CA -1.671 61.504 63.100 0.126 0.000 0.776 156 P CB -0.748 31.022 31.700 0.117 0.000 0.888 157 P HA 0.217 4.647 4.420 0.016 0.000 0.276 157 P C -1.961 175.341 177.300 0.004 0.000 1.261 157 P CA -1.719 61.395 63.100 0.025 0.000 0.800 157 P CB -0.765 30.952 31.700 0.030 0.000 1.066 158 P HA 0.129 4.532 4.420 -0.029 0.000 0.274 158 P C -1.082 176.214 177.300 -0.006 0.000 1.260 158 P CA -0.508 62.579 63.100 -0.023 0.000 0.793 158 P CB 0.916 32.594 31.700 -0.036 0.000 1.048 159 S N -2.447 113.249 115.700 -0.007 0.000 2.993 159 S HA 0.066 4.539 4.470 0.004 0.000 0.257 159 S C 0.278 174.878 174.600 0.001 0.000 0.997 159 S CA 0.034 58.234 58.200 0.000 0.000 1.191 159 S CB 1.269 64.470 63.200 0.002 0.000 1.143 159 S HN -0.043 8.260 8.310 -0.013 0.000 0.655 160 G N 1.065 109.865 108.800 0.000 0.000 4.180 160 G HA2 -0.061 3.904 3.960 0.008 0.000 0.166 160 G HA3 -0.061 3.905 3.960 0.010 0.000 0.166 160 G C -0.627 174.278 174.900 0.009 0.000 0.816 160 G CA 0.320 45.424 45.100 0.007 0.000 0.880 160 G HN -0.064 8.223 8.290 -0.006 0.000 0.399 161 K N 1.368 121.769 120.400 0.001 0.000 2.118 161 K HA 0.130 4.461 4.320 0.019 0.000 0.240 161 K C -1.301 175.294 176.600 -0.009 0.000 1.035 161 K CA -0.276 56.012 56.287 0.001 0.000 0.899 161 K CB 0.751 33.242 32.500 -0.016 0.000 1.085 161 K HN -0.242 8.004 8.250 -0.007 0.000 0.498 162 N N 0.096 118.790 118.700 -0.010 0.000 2.581 162 N HA 0.210 4.932 4.740 -0.030 0.000 0.279 162 N C -1.882 173.610 175.510 -0.031 0.000 1.124 162 N CA -2.193 50.844 53.050 -0.022 0.000 0.833 162 N CB 1.152 39.629 38.487 -0.016 0.000 1.338 162 N HN 0.091 8.473 8.380 0.002 0.000 0.533 163 P HA 0.149 4.529 4.420 -0.067 0.000 0.240 163 P C 0.823 178.078 177.300 -0.075 0.000 1.190 163 P CA 0.477 63.528 63.100 -0.082 0.000 0.781 163 P CB 0.986 32.606 31.700 -0.134 0.000 0.931 164 V N 0.455 120.330 119.914 -0.065 0.000 2.407 164 V HA -0.394 3.685 4.120 -0.068 0.000 0.248 164 V C 1.836 177.898 176.094 -0.054 0.000 1.055 164 V CA 4.084 66.338 62.300 -0.077 0.000 1.049 164 V CB -0.220 31.534 31.823 -0.115 0.000 0.662 164 V HN -0.368 7.940 8.190 -0.061 -0.155 0.455 165 M N -1.029 118.551 119.600 -0.034 0.000 2.248 165 M HA -0.249 4.221 4.480 -0.018 0.000 0.265 165 M C 1.128 177.441 176.300 0.021 0.000 1.079 165 M CA 3.079 58.373 55.300 -0.011 0.000 1.150 165 M CB 0.331 32.925 32.600 -0.010 0.000 1.366 165 M HN -0.801 7.469 8.290 -0.034 0.000 0.433 166 I N -1.742 118.844 120.570 0.028 0.000 2.163 166 I HA -0.523 3.693 4.170 0.077 0.000 0.243 166 I C 2.061 178.260 176.117 0.136 0.000 1.085 166 I CA 3.200 64.543 61.300 0.072 0.000 1.347 166 I CB -0.113 37.924 38.000 0.062 0.000 1.044 166 I HN -0.726 7.488 8.210 0.007 0.000 0.408 167 L N -1.267 120.004 121.223 0.081 0.000 2.017 167 L HA -0.416 4.167 4.340 0.406 0.000 0.208 167 L C 1.427 178.417 176.870 0.201 0.000 1.073 167 L CA 3.354 58.284 54.840 0.150 0.000 0.745 167 L CB -0.123 41.876 42.059 -0.100 0.000 0.894 167 L HN -0.098 8.129 8.230 -0.005 0.000 0.432 168 N N -2.828 115.932 118.700 0.099 0.000 2.567 168 N HA -0.160 4.642 4.740 0.102 0.000 0.195 168 N C 0.131 175.677 175.510 0.059 0.000 1.242 168 N CA 1.844 54.939 53.050 0.075 0.000 0.884 168 N CB -0.136 38.362 38.487 0.018 0.000 1.007 168 N HN -0.400 7.953 8.380 0.053 0.059 0.450 169 E N -3.320 116.926 120.200 0.075 0.000 2.603 169 E HA 0.041 4.407 4.350 0.026 0.000 0.224 169 E C 0.014 176.636 176.600 0.038 0.000 0.896 169 E CA 0.177 56.602 56.400 0.043 0.000 1.224 169 E CB 1.908 31.624 29.700 0.027 0.000 1.206 169 E HN -0.390 7.817 8.360 0.115 0.222 0.576 170 L N -0.834 120.438 121.223 0.082 0.000 2.357 170 L HA 0.031 4.335 4.340 -0.059 0.000 0.211 170 L C 0.029 176.832 176.870 -0.112 0.000 1.075 170 L CA 1.461 56.286 54.840 -0.025 0.000 0.830 170 L CB 2.404 44.461 42.059 -0.002 0.000 0.996 170 L HN -0.314 7.907 8.230 0.170 0.111 0.467 171 R N -1.162 119.365 120.500 0.044 0.000 2.857 171 R HA 0.178 4.501 4.340 -0.028 0.000 0.216 171 R C -2.180 174.200 176.300 0.132 0.000 1.555 171 R CA -1.866 54.253 56.100 0.032 0.000 1.408 171 R CB 0.019 30.280 30.300 -0.066 0.000 1.553 171 R HN -0.162 8.225 8.270 0.195 0.000 0.708 172 P HA -0.003 4.493 4.420 0.127 0.000 0.252 172 P C -0.033 177.318 177.300 0.085 0.000 1.265 172 P CA 0.098 63.255 63.100 0.094 0.000 0.775 172 P CB 0.451 32.185 31.700 0.056 0.000 1.128 173 G N 1.007 109.853 108.800 0.077 0.000 3.574 173 G HA2 0.119 4.109 3.960 0.051 0.000 0.262 173 G HA3 0.119 4.107 3.960 0.048 0.000 0.262 173 G C -1.767 173.178 174.900 0.075 0.000 1.231 173 G CA -0.455 44.682 45.100 0.062 0.000 1.608 173 G HN 0.342 8.547 8.290 0.079 0.132 0.628 174 L N -4.642 116.637 121.223 0.094 0.000 2.170 174 L HA 0.755 5.131 4.340 0.061 0.000 0.247 174 L C -1.887 175.046 176.870 0.106 0.000 1.078 174 L CA -2.470 52.419 54.840 0.081 0.000 0.936 174 L CB 2.288 44.383 42.059 0.059 0.000 1.528 174 L HN -0.482 7.737 8.230 0.111 0.077 0.455 175 K N -5.083 115.360 120.400 0.071 0.000 2.536 175 K HA 0.276 4.721 4.320 0.209 0.000 0.269 175 K C -2.817 173.822 176.600 0.065 0.000 0.965 175 K CA -0.674 55.691 56.287 0.129 0.000 0.860 175 K CB 2.976 35.529 32.500 0.088 0.000 1.423 175 K HN 0.018 8.250 8.250 -0.029 0.000 0.438 176 Y N -0.627 119.699 120.300 0.042 0.000 2.545 176 Y HA 0.516 5.195 4.550 0.023 -0.116 0.348 176 Y C -0.995 174.947 175.900 0.071 0.000 1.002 176 Y CA -0.636 57.488 58.100 0.040 0.000 1.039 176 Y CB 3.989 42.467 38.460 0.030 0.000 1.271 176 Y HN 0.371 8.840 8.280 0.316 0.000 0.467 177 D N -0.656 119.886 120.400 0.236 0.000 2.523 177 D HA 0.267 5.046 4.640 0.232 0.000 0.236 177 D C -2.035 174.430 176.300 0.275 0.000 1.094 177 D CA -0.575 53.560 54.000 0.226 0.000 0.942 177 D CB 4.467 45.375 40.800 0.180 0.000 1.447 177 D HN 0.641 9.001 8.370 0.184 0.120 0.479 178 F N 0.882 120.900 119.950 0.112 0.000 2.532 178 F HA 0.495 5.202 4.527 0.114 -0.112 0.321 178 F C -2.305 173.561 175.800 0.111 0.000 1.089 178 F CA -1.334 56.730 58.000 0.107 0.000 0.926 178 F CB 3.258 42.308 39.000 0.083 0.000 1.168 178 F HN 0.140 8.652 8.300 0.354 0.000 0.459 179 L N 3.841 124.592 121.223 -0.788 0.000 2.333 179 L HA 0.497 4.702 4.340 -0.224 0.000 0.263 179 L C -0.724 175.709 176.870 -0.728 0.000 1.014 179 L CA -2.481 52.063 54.840 -0.494 0.000 0.820 179 L CB 3.519 45.457 42.059 -0.203 0.000 1.352 179 L HN 0.903 8.366 8.230 -1.101 0.106 0.421 180 S N -0.089 115.443 115.700 -0.280 0.000 2.589 180 S HA -0.112 4.355 4.470 -0.005 0.000 0.256 180 S C -0.205 174.305 174.600 -0.149 0.000 1.383 180 S CA 0.641 58.766 58.200 -0.125 0.000 0.983 180 S CB 0.381 63.553 63.200 -0.047 0.000 0.908 180 S HN 0.174 8.388 8.310 -0.160 0.000 0.572 181 E N -1.013 119.127 120.200 -0.100 0.000 2.390 181 E HA 0.277 4.394 4.350 -0.388 0.000 0.249 181 E C -0.823 175.641 176.600 -0.226 0.000 0.981 181 E CA -1.497 54.732 56.400 -0.286 0.000 0.860 181 E CB 1.753 31.196 29.700 -0.428 0.000 1.278 181 E HN 0.109 8.456 8.360 -0.021 0.000 0.416 182 S N -1.930 113.598 115.700 -0.287 0.000 3.082 182 S HA 0.235 4.620 4.470 -0.142 0.000 0.253 182 S C -1.359 173.122 174.600 -0.198 0.000 0.961 182 S CA 0.093 58.176 58.200 -0.195 0.000 1.129 182 S CB 2.066 65.161 63.200 -0.174 0.000 1.083 182 S HN 0.421 8.472 8.310 -0.430 0.000 0.605 183 G N 0.436 109.112 108.800 -0.206 0.000 2.600 183 G HA2 0.191 4.051 3.960 -0.166 0.000 0.293 183 G HA3 0.191 4.148 3.960 -0.273 -0.161 0.293 183 G C -1.644 173.217 174.900 -0.065 0.000 1.408 183 G CA 0.091 45.080 45.100 -0.186 0.000 0.782 183 G HN -0.662 7.495 8.290 -0.222 0.000 0.482 184 E N -1.065 119.169 120.200 0.057 0.000 2.014 184 E HA -0.152 4.249 4.350 0.086 0.000 0.190 184 E C 1.040 177.741 176.600 0.168 0.000 0.980 184 E CA 2.516 59.001 56.400 0.141 0.000 0.807 184 E CB 0.844 30.664 29.700 0.200 0.000 0.770 184 E HN 0.334 8.726 8.360 0.055 0.000 0.451 185 S N -6.673 109.202 115.700 0.293 0.000 2.800 185 S HA 0.075 4.667 4.470 0.202 0.000 0.266 185 S C -1.688 173.076 174.600 0.273 0.000 1.029 185 S CA -0.214 58.122 58.200 0.227 0.000 1.302 185 S CB 1.399 64.686 63.200 0.144 0.000 1.212 185 S HN -0.082 8.595 8.310 0.611 0.000 0.683 186 H N -1.546 117.540 119.070 0.025 0.000 2.907 186 H HA 0.173 4.753 4.556 0.040 0.000 0.361 186 H C -1.069 174.255 175.328 -0.006 0.000 1.194 186 H CA -1.316 54.744 56.048 0.021 0.000 1.152 186 H CB -0.065 29.706 29.762 0.015 0.000 1.867 186 H HN -0.702 7.956 8.280 0.630 0.000 0.561 187 A N -1.551 121.224 122.820 -0.075 0.000 2.750 187 A HA -0.376 3.908 4.320 -0.060 0.000 0.298 187 A C -0.528 176.955 177.584 -0.169 0.000 1.500 187 A CA 1.378 53.330 52.037 -0.142 0.000 0.891 187 A CB -1.277 17.584 19.000 -0.231 0.000 0.972 187 A HN 0.409 8.594 8.150 0.058 0.000 0.531 188 K N -2.857 117.459 120.400 -0.139 0.000 2.380 188 K HA -0.183 3.906 4.320 -0.385 0.000 0.267 188 K C -0.328 176.121 176.600 -0.251 0.000 0.990 188 K CA 0.377 56.485 56.287 -0.298 0.000 0.946 188 K CB 0.608 32.915 32.500 -0.321 0.000 0.937 188 K HN -0.163 8.023 8.250 -0.043 0.038 0.491 189 S N 0.451 115.901 115.700 -0.417 0.000 2.605 189 S HA 0.327 4.929 4.470 -0.039 -0.156 0.142 189 S C -0.681 173.800 174.600 -0.198 0.000 1.452 189 S CA -0.847 57.239 58.200 -0.189 0.000 1.240 189 S CB 1.075 64.198 63.200 -0.128 0.000 1.538 189 S HN 0.208 8.116 8.310 -0.670 0.000 0.394 190 F N 2.198 122.151 119.950 0.004 0.000 2.532 190 F HA 0.056 4.702 4.527 -0.099 -0.179 0.323 190 F C -0.606 175.132 175.800 -0.103 0.000 1.234 190 F CA 0.416 58.393 58.000 -0.038 0.000 1.323 190 F CB 1.004 40.083 39.000 0.132 0.000 1.183 190 F HN -0.261 8.092 8.300 0.088 0.000 0.589 191 V N -5.023 114.853 119.914 -0.063 0.000 3.147 191 V HA 0.722 4.984 4.120 0.033 -0.122 0.306 191 V C -2.047 173.963 176.094 -0.140 0.000 1.209 191 V CA -2.456 59.801 62.300 -0.071 0.000 1.023 191 V CB 3.769 35.548 31.823 -0.072 0.000 1.059 191 V HN -0.170 7.820 8.190 -0.334 0.000 0.435 192 M N 2.553 122.157 119.600 0.007 0.000 2.591 192 M HA 0.720 5.369 4.480 0.086 -0.117 0.306 192 M C -1.657 174.665 176.300 0.037 0.000 1.190 192 M CA -2.684 52.666 55.300 0.082 0.000 0.889 192 M CB 4.452 37.167 32.600 0.192 0.000 1.728 192 M HN 0.832 9.142 8.290 0.033 0.000 0.458 193 S N -0.586 115.128 115.700 0.024 0.000 2.709 193 S HA 0.931 5.369 4.470 -0.248 -0.117 0.302 193 S C -1.320 173.133 174.600 -0.245 0.000 1.127 193 S CA -1.730 56.363 58.200 -0.179 0.000 0.905 193 S CB 3.373 66.474 63.200 -0.164 0.000 1.151 193 S HN 0.942 9.181 8.310 0.095 0.128 0.510 194 V N -3.057 116.542 119.914 -0.526 0.000 3.216 194 V HA 0.581 4.505 4.120 -0.518 -0.116 0.302 194 V C -1.785 174.094 176.094 -0.358 0.000 1.286 194 V CA -1.617 60.345 62.300 -0.563 0.000 1.048 194 V CB 3.925 35.220 31.823 -0.880 0.000 1.081 194 V HN 0.676 8.349 8.190 -0.862 0.000 0.442 195 V N 2.351 122.152 119.914 -0.188 0.000 2.577 195 V HA 0.625 4.984 4.120 0.059 -0.204 0.303 195 V C -1.677 174.427 176.094 0.017 0.000 1.042 195 V CA -1.680 60.624 62.300 0.006 0.000 0.872 195 V CB 2.637 34.512 31.823 0.087 0.000 0.998 195 V HN 0.641 8.675 8.190 -0.261 0.000 0.423 196 V N 6.305 126.288 119.914 0.115 0.000 2.612 196 V HA 0.267 4.428 4.120 0.069 0.000 0.301 196 V C -0.704 175.480 176.094 0.150 0.000 1.059 196 V CA -0.976 61.392 62.300 0.114 0.000 0.886 196 V CB 2.997 34.879 31.823 0.098 0.000 1.007 196 V HN 0.080 8.378 8.190 0.180 0.000 0.426 197 D N 6.855 127.320 120.400 0.109 0.000 3.028 197 D HA -0.368 4.319 4.640 0.077 0.000 0.211 197 D C 0.265 176.619 176.300 0.090 0.000 1.136 197 D CA 1.962 56.021 54.000 0.097 0.000 0.987 197 D CB -0.017 40.849 40.800 0.110 0.000 1.128 197 D HN 0.926 9.351 8.370 0.091 0.000 0.406 198 G N -5.400 103.457 108.800 0.095 0.000 2.284 198 G HA2 -0.337 3.667 3.960 0.074 0.000 0.201 198 G HA3 -0.337 3.663 3.960 0.067 0.000 0.201 198 G C -0.491 174.457 174.900 0.081 0.000 0.998 198 G CA -0.337 44.810 45.100 0.079 0.000 0.651 198 G HN -0.069 8.180 8.290 0.106 0.105 0.489 199 Q N 0.250 120.110 119.800 0.099 0.000 2.500 199 Q HA 0.130 4.461 4.340 -0.016 0.000 0.215 199 Q C -1.566 174.435 176.000 0.003 0.000 1.062 199 Q CA -0.258 55.558 55.803 0.022 0.000 0.996 199 Q CB 1.247 30.024 28.738 0.066 0.000 1.239 199 Q HN -0.310 7.901 8.270 0.139 0.142 0.578 200 F N -0.572 119.094 119.950 -0.473 0.000 2.569 200 F HA 0.629 5.267 4.527 -0.133 -0.191 0.312 200 F C -1.938 173.419 175.800 -0.738 0.000 1.109 200 F CA -1.375 56.402 58.000 -0.371 0.000 0.919 200 F CB 3.474 42.350 39.000 -0.208 0.000 1.211 200 F HN -0.036 7.993 8.300 -0.452 0.000 0.446 201 F N 4.812 124.270 119.950 -0.819 0.000 2.620 201 F HA 0.483 4.886 4.527 -0.206 0.000 0.320 201 F C -2.148 173.223 175.800 -0.715 0.000 1.069 201 F CA -1.566 56.124 58.000 -0.516 0.000 0.953 201 F CB 4.434 43.249 39.000 -0.307 0.000 1.322 201 F HN 0.291 8.014 8.300 -0.962 0.000 0.479 202 E N -0.696 119.451 120.200 -0.088 0.000 2.407 202 E HA 0.752 5.207 4.350 -0.125 -0.180 0.279 202 E C -1.169 175.459 176.600 0.047 0.000 1.012 202 E CA -1.312 55.052 56.400 -0.059 0.000 0.800 202 E CB 4.399 34.119 29.700 0.033 0.000 1.276 202 E HN 0.112 8.537 8.360 0.109 0.000 0.452 203 G N 1.477 110.303 108.800 0.043 0.000 2.752 203 G HA2 0.373 4.373 3.960 0.067 0.000 0.298 203 G HA3 0.373 4.462 3.960 0.064 -0.091 0.298 203 G C -3.105 171.825 174.900 0.051 0.000 1.434 203 G CA 0.446 45.581 45.100 0.059 0.000 1.004 203 G HN 0.595 8.901 8.290 0.027 0.000 0.560 204 S N 1.204 116.933 115.700 0.049 0.000 2.747 204 S HA 1.047 5.680 4.470 0.054 -0.132 0.300 204 S C -0.424 174.220 174.600 0.074 0.000 1.121 204 S CA -1.431 56.799 58.200 0.051 0.000 0.995 204 S CB 3.018 66.233 63.200 0.024 0.000 1.113 204 S HN 0.040 8.379 8.310 0.048 0.000 0.547 205 G N -2.401 106.464 108.800 0.108 0.000 2.368 205 G HA2 0.118 4.132 3.960 0.089 0.000 0.293 205 G HA3 0.118 4.151 3.960 0.122 0.000 0.293 205 G C -2.348 172.679 174.900 0.212 0.000 1.467 205 G CA 0.405 45.581 45.100 0.127 0.000 0.804 205 G HN 0.378 8.740 8.290 0.120 0.000 0.535 206 R N -4.389 116.220 120.500 0.182 0.000 2.285 206 R HA -0.213 4.467 4.340 0.218 -0.209 0.213 206 R C -1.582 174.959 176.300 0.401 0.000 1.068 206 R CA 1.107 57.350 56.100 0.238 0.000 1.004 206 R CB 0.298 30.682 30.300 0.140 0.000 0.873 206 R HN 0.374 8.718 8.270 0.124 0.000 0.467 207 N N -6.288 112.575 118.700 0.272 0.000 2.825 207 N HA 0.112 4.714 4.740 -0.230 0.000 0.253 207 N C -0.743 174.748 175.510 -0.032 0.000 1.426 207 N CA -1.294 51.767 53.050 0.018 0.000 0.851 207 N CB 2.703 41.177 38.487 -0.021 0.000 1.470 207 N HN -0.872 7.583 8.380 0.210 0.051 0.517 208 K N -1.849 118.429 120.400 -0.203 0.000 2.209 208 K HA -0.364 4.024 4.320 0.112 0.000 0.204 208 K C 1.493 178.093 176.600 -0.000 0.000 1.048 208 K CA 3.280 59.543 56.287 -0.040 0.000 0.940 208 K CB -0.350 32.078 32.500 -0.119 0.000 0.729 208 K HN 0.449 8.461 8.250 -0.396 0.000 0.451 209 K N 0.584 120.964 120.400 -0.033 0.000 2.062 209 K HA -0.209 4.087 4.320 -0.040 0.000 0.205 209 K C 2.175 178.775 176.600 0.000 0.000 1.051 209 K CA 2.661 58.932 56.287 -0.027 0.000 0.941 209 K CB 0.134 32.613 32.500 -0.036 0.000 0.719 209 K HN -0.662 7.632 8.250 -0.060 -0.080 0.440 210 L N -0.533 120.703 121.223 0.021 0.000 2.056 210 L HA -0.291 4.061 4.340 0.020 0.000 0.207 210 L C 1.495 178.395 176.870 0.050 0.000 1.078 210 L CA 2.614 57.475 54.840 0.035 0.000 0.749 210 L CB -0.637 41.452 42.059 0.051 0.000 0.901 210 L HN 0.211 8.839 8.230 0.022 -0.385 0.433 211 A N -1.655 121.211 122.820 0.077 0.000 1.902 211 A HA -0.304 4.169 4.320 0.081 -0.105 0.217 211 A C 1.903 179.536 177.584 0.082 0.000 1.181 211 A CA 2.977 55.068 52.037 0.091 0.000 0.623 211 A CB -0.735 18.344 19.000 0.132 0.000 0.818 211 A HN -0.248 7.954 8.150 0.087 0.000 0.443 212 K N -1.835 118.608 120.400 0.073 0.000 2.155 212 K HA -0.290 4.119 4.320 0.147 0.000 0.203 212 K C 1.858 178.482 176.600 0.040 0.000 1.052 212 K CA 2.886 59.215 56.287 0.070 0.000 0.948 212 K CB -0.024 32.467 32.500 -0.016 0.000 0.728 212 K HN -0.464 7.823 8.250 0.062 0.000 0.448 213 A N -1.752 121.074 122.820 0.011 0.000 2.067 213 A HA -0.201 4.102 4.320 -0.030 0.000 0.219 213 A C 1.705 179.281 177.584 -0.013 0.000 1.158 213 A CA 2.787 54.816 52.037 -0.012 0.000 0.661 213 A CB -0.539 18.453 19.000 -0.013 0.000 0.801 213 A HN -0.103 7.945 8.150 0.014 0.110 0.452 214 R N -1.022 119.486 120.500 0.014 0.000 2.075 214 R HA -0.171 4.168 4.340 -0.002 0.000 0.220 214 R C 1.659 177.969 176.300 0.017 0.000 1.118 214 R CA 2.735 58.845 56.100 0.018 0.000 0.986 214 R CB 0.360 30.687 30.300 0.045 0.000 0.884 214 R HN -0.455 7.698 8.270 0.032 0.136 0.439 215 A N -1.505 121.340 122.820 0.041 0.000 1.933 215 A HA -0.143 4.356 4.320 0.045 -0.151 0.218 215 A C 1.733 179.286 177.584 -0.052 0.000 1.175 215 A CA 2.877 54.932 52.037 0.031 0.000 0.628 215 A CB -0.594 18.447 19.000 0.068 0.000 0.814 215 A HN 0.036 8.222 8.150 0.060 0.000 0.444 216 A N -1.945 120.877 122.820 0.003 0.000 1.854 216 A HA -0.247 4.026 4.320 -0.080 0.000 0.214 216 A C 1.465 178.899 177.584 -0.251 0.000 1.192 216 A CA 2.559 54.559 52.037 -0.061 0.000 0.611 216 A CB -0.644 18.382 19.000 0.043 0.000 0.832 216 A HN 0.229 8.296 8.150 0.055 0.116 0.442 217 Q N -0.598 119.081 119.800 -0.202 0.000 2.156 217 Q HA -0.391 3.766 4.340 -0.303 0.000 0.211 217 Q C 2.351 178.117 176.000 -0.389 0.000 0.995 217 Q CA 3.279 58.920 55.803 -0.271 0.000 0.877 217 Q CB -0.681 27.949 28.738 -0.181 0.000 0.920 217 Q HN -0.314 7.883 8.270 -0.122 0.000 0.416 218 S N -0.170 115.333 115.700 -0.327 0.000 2.371 218 S HA -0.289 3.865 4.470 -0.527 0.000 0.224 218 S C 1.648 175.765 174.600 -0.804 0.000 1.029 218 S CA 3.724 61.693 58.200 -0.385 0.000 0.978 218 S CB -0.373 62.865 63.200 0.063 0.000 0.833 218 S HN -0.257 7.847 8.310 -0.201 0.085 0.466 219 A N 2.550 124.677 122.820 -1.155 0.000 1.902 219 A HA -0.307 1.747 4.320 -3.777 0.000 0.217 219 A C 1.539 178.490 177.584 -1.056 0.000 1.181 219 A CA 3.022 53.980 52.037 -1.798 0.000 0.623 219 A CB -0.532 17.777 19.000 -1.151 0.000 0.818 219 A HN -0.415 7.209 8.150 -0.745 0.078 0.443 220 L N -1.125 119.570 121.223 -0.880 0.000 1.955 220 L HA -0.461 2.792 4.340 -1.812 0.000 0.213 220 L C 1.604 178.009 176.870 -0.774 0.000 1.072 220 L CA 3.118 57.279 54.840 -1.131 0.000 0.755 220 L CB -0.206 41.321 42.059 -0.887 0.000 0.888 220 L HN 0.574 8.254 8.230 -0.732 0.111 0.432 221 A N -2.904 119.581 122.820 -0.557 0.000 1.892 221 A HA -0.391 3.803 4.320 -0.250 -0.024 0.218 221 A C 2.151 179.606 177.584 -0.216 0.000 1.188 221 A CA 3.177 54.994 52.037 -0.365 0.000 0.631 221 A CB -0.739 17.961 19.000 -0.499 0.000 0.822 221 A HN -0.261 7.533 8.150 -0.593 0.000 0.447 222 T N 0.040 114.448 114.554 -0.243 0.000 2.770 222 T HA -0.263 4.101 4.350 0.024 0.000 0.263 222 T C 2.340 177.088 174.700 0.081 0.000 1.039 222 T CA 5.006 67.103 62.100 -0.005 0.000 1.142 222 T CB -0.059 68.952 68.868 0.237 0.000 0.868 222 T HN -0.569 7.422 8.240 -0.415 0.000 0.435 223 V N 0.577 120.519 119.914 0.047 0.000 2.788 223 V HA -0.234 4.006 4.120 0.200 0.000 0.251 223 V C 0.856 177.152 176.094 0.337 0.000 1.068 223 V CA 2.913 65.333 62.300 0.199 0.000 1.090 223 V CB -0.531 31.410 31.823 0.197 0.000 0.710 223 V HN -0.085 8.002 8.190 -0.172 0.000 0.467 224 F N -3.714 116.201 119.950 -0.058 0.000 2.797 224 F HA 0.093 4.600 4.527 -0.032 0.000 0.302 224 F C -0.263 175.521 175.800 -0.027 0.000 1.130 224 F CA -1.161 56.812 58.000 -0.045 0.000 1.387 224 F CB -1.282 37.679 39.000 -0.066 0.000 1.107 224 F HN -0.018 8.406 8.300 0.206 0.000 0.577 225 N N -2.900 115.896 118.700 0.161 0.000 2.693 225 N HA -0.428 4.366 4.740 0.089 0.000 0.249 225 N C -1.353 174.213 175.510 0.093 0.000 1.119 225 N CA 1.107 54.218 53.050 0.101 0.000 0.717 225 N CB -1.277 37.257 38.487 0.078 0.000 1.071 225 N HN -0.484 7.807 8.380 0.154 0.181 0.555 226 L N -4.767 116.517 121.223 0.102 0.000 2.161 226 L HA 0.249 4.648 4.340 0.098 0.000 0.248 226 L C -1.546 175.392 176.870 0.113 0.000 1.088 226 L CA -1.626 53.276 54.840 0.103 0.000 0.987 226 L CB 3.762 45.887 42.059 0.110 0.000 1.563 226 L HN -0.587 7.676 8.230 0.098 0.025 0.472 227 H N -1.561 117.522 119.070 0.022 0.000 3.038 227 H HA 0.131 4.642 4.556 -0.076 0.000 0.289 227 H C -1.991 173.370 175.328 0.054 0.000 1.510 227 H CA -0.263 55.787 56.048 0.004 0.000 1.227 227 H CB 3.389 33.168 29.762 0.029 0.000 1.880 227 H HN -0.133 8.262 8.280 0.191 0.000 0.594 228 L N -1.399 119.750 121.223 -0.123 0.000 3.515 228 L HA 0.247 4.539 4.340 -0.081 0.000 0.322 228 L C -1.578 175.214 176.870 -0.130 0.000 1.225 228 L CA 0.299 55.050 54.840 -0.147 0.000 1.104 228 L CB 2.080 43.982 42.059 -0.262 0.000 1.506 228 L HN 0.290 8.265 8.230 -0.426 0.000 0.624 229 L N -1.776 119.565 121.223 0.196 0.000 3.366 229 L HA 0.302 4.622 4.340 -0.034 0.000 0.304 229 L C -0.333 176.600 176.870 0.104 0.000 1.292 229 L CA 0.360 55.268 54.840 0.114 0.000 1.012 229 L CB 0.556 42.717 42.059 0.171 0.000 1.414 229 L HN -0.194 8.544 8.230 0.847 0.000 0.603 230 E N -1.901 118.370 120.200 0.117 0.000 2.630 230 E HA 0.052 4.445 4.350 0.072 0.000 0.218 230 E C -1.192 175.546 176.600 0.231 0.000 0.977 230 E CA 0.261 56.736 56.400 0.127 0.000 1.038 230 E CB 1.015 30.767 29.700 0.087 0.000 1.051 230 E HN 0.390 8.821 8.360 0.119 0.000 0.487 231 H N -2.109 117.046 119.070 0.142 0.000 3.014 231 H HA 0.246 4.935 4.556 0.221 0.000 0.337 231 H C -1.778 173.708 175.328 0.264 0.000 1.320 231 H CA -0.876 55.277 56.048 0.175 0.000 1.128 231 H CB 1.436 31.244 29.762 0.077 0.000 1.862 231 H HN -0.264 7.881 8.280 -0.225 0.000 0.536 232 H N -1.860 117.348 119.070 0.231 0.000 3.664 232 H HA 0.257 4.901 4.556 0.146 0.000 0.265 232 H C -1.583 173.963 175.328 0.363 0.000 1.147 232 H CA 0.218 56.391 56.048 0.208 0.000 1.142 232 H CB 1.072 30.901 29.762 0.111 0.000 1.870 232 H HN 0.204 8.586 8.280 0.170 0.000 0.820 233 H N 0.169 119.190 119.070 -0.081 0.000 3.109 233 H HA 0.307 4.865 4.556 0.004 0.000 0.248 233 H C -0.082 175.281 175.328 0.058 0.000 1.177 233 H CA 0.114 56.109 56.048 -0.089 0.000 0.977 233 H CB 0.851 30.404 29.762 -0.348 0.000 2.165 233 H HN -0.334 8.049 8.280 0.172 0.000 0.693 234 H N -1.764 117.324 119.070 0.030 0.000 2.518 234 H HA -0.204 4.334 4.556 -0.030 0.000 0.292 234 H C -0.264 175.072 175.328 0.014 0.000 1.068 234 H CA 1.081 57.131 56.048 0.002 0.000 1.275 234 H CB 0.057 29.823 29.762 0.008 0.000 1.375 234 H HN 0.257 8.924 8.280 0.645 0.000 0.563 235 H N -2.907 115.764 119.070 -0.665 0.000 3.014 235 H HA 0.010 4.338 4.556 -0.380 0.000 0.337 235 H C -2.428 172.703 175.328 -0.329 0.000 1.320 235 H CA -0.303 55.431 56.048 -0.525 0.000 1.128 235 H CB 2.360 31.744 29.762 -0.630 0.000 1.862 235 H HN -0.534 7.440 8.280 -0.417 0.056 0.536 236 H N 0.000 118.447 119.070 -1.039 0.000 2.539 236 H HA 0.000 4.343 4.556 -0.355 0.000 0.296 236 H CA 0.000 55.694 56.048 -0.591 0.000 1.023 236 H CB 0.000 29.531 29.762 -0.384 0.000 1.292 236 H HN 0.000 7.336 8.280 -1.573 0.000 0.496