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 1dgu_1_A DATA FIRST_RESID 1 DATA SEQUENCE SKELLAEYQD LTFLTKQEIL LAHRRFCELL PQEQRSVESS LRAQVPFEQI DATA SEQUENCE LSLPELKANP FKERICRVFS TSPAKDSLSF EDFLDLLSVF SDTATPDIKS DATA SEQUENCE HYAFRIFDFD DDGTLNREDL SRLVNCLTGE GEDTRLSASE MKQLIDNILE DATA SEQUENCE ESDIDRDGTI NLSEFQHVIS RSPDFASSFK IVL 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 S HA 0.000 4.749 4.470 0.464 0.000 0.327 1 S C 0.000 174.885 174.600 0.475 0.000 1.055 1 S CA 0.000 58.483 58.200 0.471 0.000 1.107 1 S CB 0.000 63.508 63.200 0.513 0.000 0.593 2 K N 1.571 122.175 120.400 0.340 0.000 2.155 2 K HA -0.183 4.293 4.320 0.260 0.000 0.203 2 K C 0.003 176.739 176.600 0.226 0.000 1.052 2 K CA 1.520 57.952 56.287 0.243 0.000 0.948 2 K CB 0.219 32.784 32.500 0.109 0.000 0.728 2 K HN -0.083 8.336 8.250 0.280 0.000 0.448 3 E N -3.133 117.175 120.200 0.180 0.000 2.349 3 E HA 0.029 4.423 4.350 0.074 0.000 0.265 3 E C -0.639 175.990 176.600 0.049 0.000 1.064 3 E CA -0.916 55.551 56.400 0.112 0.000 0.886 3 E CB 0.185 29.952 29.700 0.113 0.000 1.036 3 E HN -0.131 8.357 8.360 0.214 0.000 0.413 4 L N 3.502 124.668 121.223 -0.094 0.000 2.589 4 L HA 0.149 4.205 4.340 -0.473 0.000 0.244 4 L C -1.078 175.783 176.870 -0.016 0.000 1.159 4 L CA 0.409 55.105 54.840 -0.240 0.000 1.074 4 L CB -1.639 40.190 42.059 -0.384 0.000 1.391 4 L HN 0.599 8.790 8.230 -0.065 0.000 0.423 5 L N 0.981 122.335 121.223 0.218 0.000 2.186 5 L HA 0.276 4.689 4.340 0.121 0.000 0.182 5 L C -0.898 176.112 176.870 0.232 0.000 1.190 5 L CA 0.542 55.490 54.840 0.181 0.000 1.051 5 L CB 2.509 44.628 42.059 0.100 0.000 2.162 5 L HN -0.251 8.394 8.230 0.411 -0.168 0.494 6 A N 0.277 123.212 122.820 0.191 0.000 2.671 6 A HA 0.030 4.366 4.320 0.028 0.000 0.306 6 A C -1.131 176.368 177.584 -0.141 0.000 1.473 6 A CA -0.402 51.644 52.037 0.014 0.000 1.155 6 A CB -1.120 17.872 19.000 -0.013 0.000 1.123 6 A HN 0.030 8.702 8.150 0.242 -0.377 0.545 7 E N 3.267 123.439 120.200 -0.048 0.000 2.240 7 E HA -0.456 3.887 4.350 -0.011 0.000 0.194 7 E C -1.788 174.709 176.600 -0.172 0.000 1.385 7 E CA 0.219 56.570 56.400 -0.083 0.000 0.686 7 E CB -0.755 28.895 29.700 -0.084 0.000 1.125 7 E HN 0.007 8.387 8.360 0.033 0.000 0.359 8 Y N 0.795 121.085 120.300 -0.016 0.000 2.627 8 Y HA 0.082 4.807 4.550 -0.037 -0.197 0.347 8 Y C 0.054 175.923 175.900 -0.051 0.000 1.099 8 Y CA -0.782 57.297 58.100 -0.034 0.000 1.408 8 Y CB -0.576 37.867 38.460 -0.028 0.000 1.247 8 Y HN 0.154 8.557 8.280 0.205 0.000 0.506 9 Q N 5.959 125.764 119.800 0.008 0.000 2.489 9 Q HA -0.127 4.211 4.340 -0.004 0.000 0.231 9 Q C -0.664 175.327 176.000 -0.015 0.000 1.273 9 Q CA 0.392 56.190 55.803 -0.009 0.000 0.898 9 Q CB -0.587 28.133 28.738 -0.030 0.000 1.545 9 Q HN -0.101 8.344 8.270 -0.059 -0.210 0.538 10 D N 6.411 126.801 120.400 -0.017 0.000 2.443 10 D HA 0.263 5.080 4.640 -0.066 -0.217 0.281 10 D C -0.690 175.562 176.300 -0.080 0.000 1.210 10 D CA -0.420 53.547 54.000 -0.055 0.000 0.875 10 D CB 1.006 41.765 40.800 -0.068 0.000 1.125 10 D HN -0.159 8.166 8.370 0.006 0.048 0.503 11 L N 3.561 124.730 121.223 -0.090 0.000 2.448 11 L HA 0.071 4.329 4.340 -0.137 0.000 0.278 11 L C -0.674 176.066 176.870 -0.217 0.000 1.201 11 L CA 0.434 55.193 54.840 -0.136 0.000 1.036 11 L CB -1.737 40.255 42.059 -0.112 0.000 1.325 11 L HN 0.282 8.469 8.230 -0.071 0.000 0.441 12 T N -1.616 112.783 114.554 -0.259 0.000 2.900 12 T HA 0.245 4.429 4.350 -0.276 0.000 0.303 12 T C 0.005 174.508 174.700 -0.328 0.000 1.142 12 T CA -2.201 59.745 62.100 -0.256 0.000 1.007 12 T CB 2.567 71.363 68.868 -0.119 0.000 1.156 12 T HN -0.589 7.527 8.240 -0.206 0.000 0.490 13 F N 1.760 121.690 119.950 -0.034 0.000 2.697 13 F HA 0.134 4.649 4.527 -0.020 0.000 0.297 13 F C -0.927 174.861 175.800 -0.019 0.000 1.203 13 F CA 0.309 58.294 58.000 -0.024 0.000 1.421 13 F CB -0.820 38.166 39.000 -0.024 0.000 1.033 13 F HN 0.199 8.537 8.300 0.064 0.000 0.512 14 L N -0.701 120.559 121.223 0.062 0.000 2.325 14 L HA 0.238 4.744 4.340 0.069 -0.125 0.281 14 L C 0.072 176.955 176.870 0.021 0.000 1.004 14 L CA -1.959 52.909 54.840 0.047 0.000 0.823 14 L CB -0.015 42.062 42.059 0.029 0.000 1.236 14 L HN -0.910 7.206 8.230 -0.006 0.111 0.415 15 T N 1.551 116.124 114.554 0.031 0.000 2.748 15 T HA 0.064 4.418 4.350 0.007 0.000 0.304 15 T C 0.932 175.643 174.700 0.019 0.000 1.041 15 T CA -0.710 61.401 62.100 0.019 0.000 1.033 15 T CB 1.345 70.228 68.868 0.025 0.000 0.995 15 T HN 0.355 8.941 8.240 0.046 -0.318 0.536 16 K N -0.071 120.336 120.400 0.011 0.000 2.089 16 K HA -0.436 3.887 4.320 0.004 0.000 0.210 16 K C 2.705 179.319 176.600 0.024 0.000 1.048 16 K CA 4.309 60.602 56.287 0.010 0.000 0.926 16 K CB -0.371 32.130 32.500 0.002 0.000 0.714 16 K HN 0.437 8.691 8.250 0.006 0.000 0.448 17 Q N -1.620 118.197 119.800 0.029 0.000 2.083 17 Q HA -0.202 4.160 4.340 0.038 0.000 0.198 17 Q C 1.967 178.001 176.000 0.057 0.000 0.969 17 Q CA 2.614 58.440 55.803 0.038 0.000 0.838 17 Q CB -0.654 28.103 28.738 0.031 0.000 0.900 17 Q HN 0.169 8.454 8.270 0.025 0.000 0.436 18 E N 0.997 121.232 120.200 0.058 0.000 2.085 18 E HA -0.370 4.027 4.350 0.077 0.000 0.194 18 E C 2.611 179.276 176.600 0.109 0.000 0.994 18 E CA 2.938 59.383 56.400 0.075 0.000 0.801 18 E CB -0.272 29.465 29.700 0.062 0.000 0.743 18 E HN -0.417 7.971 8.360 0.047 0.000 0.453 19 I N -0.672 119.959 120.570 0.101 0.000 2.127 19 I HA -0.505 3.789 4.170 0.207 0.000 0.241 19 I C 1.912 178.158 176.117 0.215 0.000 1.075 19 I CA 3.852 65.248 61.300 0.160 0.000 1.334 19 I CB -0.291 37.760 38.000 0.084 0.000 1.040 19 I HN -0.140 8.111 8.210 0.068 0.000 0.405 20 L N 0.167 121.466 121.223 0.126 0.000 2.012 20 L HA -0.320 4.095 4.340 0.125 0.000 0.210 20 L C 1.729 178.681 176.870 0.136 0.000 1.073 20 L CA 3.309 58.219 54.840 0.115 0.000 0.748 20 L CB -0.274 41.821 42.059 0.061 0.000 0.891 20 L HN -0.639 7.643 8.230 0.086 0.000 0.431 21 L N -2.225 119.070 121.223 0.121 0.000 1.989 21 L HA -0.558 3.836 4.340 0.090 0.000 0.211 21 L C 1.900 178.879 176.870 0.183 0.000 1.071 21 L CA 3.436 58.347 54.840 0.120 0.000 0.749 21 L CB -1.030 41.086 42.059 0.096 0.000 0.890 21 L HN 0.236 8.530 8.230 0.107 0.000 0.431 22 A N -1.827 121.151 122.820 0.263 0.000 1.917 22 A HA -0.469 4.131 4.320 0.466 0.000 0.219 22 A C 1.754 179.667 177.584 0.547 0.000 1.182 22 A CA 3.115 55.426 52.037 0.458 0.000 0.633 22 A CB -1.275 17.991 19.000 0.444 0.000 0.819 22 A HN 0.205 8.488 8.150 0.222 0.000 0.448 23 H N -0.371 118.862 119.070 0.273 0.000 2.352 23 H HA -0.435 3.875 4.556 -0.410 0.000 0.299 23 H C 2.631 177.903 175.328 -0.092 0.000 1.097 23 H CA 4.040 59.988 56.048 -0.167 0.000 1.311 23 H CB 0.357 29.862 29.762 -0.428 0.000 1.377 23 H HN 0.303 8.743 8.280 0.447 0.108 0.504 24 R N -1.572 118.894 120.500 -0.057 0.000 2.081 24 R HA -0.396 3.827 4.340 -0.195 0.000 0.235 24 R C 2.449 178.707 176.300 -0.071 0.000 1.131 24 R CA 3.779 59.820 56.100 -0.098 0.000 0.960 24 R CB -0.304 29.983 30.300 -0.021 0.000 0.856 24 R HN -0.083 8.233 8.270 0.075 0.000 0.436 25 R N -0.102 120.417 120.500 0.033 0.000 2.082 25 R HA -0.284 4.069 4.340 0.023 0.000 0.234 25 R C 2.280 178.522 176.300 -0.096 0.000 1.136 25 R CA 3.148 59.281 56.100 0.056 0.000 0.935 25 R CB -0.655 29.787 30.300 0.235 0.000 0.842 25 R HN -0.086 8.245 8.270 0.101 0.000 0.430 26 F N 0.920 120.595 119.950 -0.458 0.000 2.115 26 F HA -0.358 3.664 4.527 -0.842 0.000 0.300 26 F C 1.910 177.450 175.800 -0.432 0.000 1.092 26 F CA 3.375 60.954 58.000 -0.702 0.000 1.245 26 F CB -0.067 38.449 39.000 -0.806 0.000 0.995 26 F HN 0.004 8.292 8.300 -0.020 0.000 0.481 27 C N -1.613 117.438 119.300 -0.415 0.000 2.436 27 C HA -0.579 3.609 4.460 -0.453 0.000 0.277 27 C C 2.089 176.899 174.990 -0.300 0.000 1.241 27 C CA 4.728 63.507 59.018 -0.399 0.000 1.721 27 C CB -0.157 27.356 27.740 -0.380 0.000 2.043 27 C HN 0.013 7.939 8.230 -0.333 0.104 0.472 28 E N -0.074 119.997 120.200 -0.215 0.000 2.085 28 E HA -0.361 3.907 4.350 -0.137 0.000 0.194 28 E C 1.584 178.082 176.600 -0.170 0.000 0.994 28 E CA 2.452 58.759 56.400 -0.154 0.000 0.801 28 E CB -0.083 29.562 29.700 -0.092 0.000 0.743 28 E HN -0.629 7.611 8.360 -0.198 0.000 0.453 29 L N -2.568 118.527 121.223 -0.213 0.000 2.127 29 L HA -0.265 3.996 4.340 -0.131 0.000 0.211 29 L C 1.413 178.095 176.870 -0.313 0.000 1.089 29 L CA 2.708 57.411 54.840 -0.229 0.000 0.757 29 L CB -0.037 41.886 42.059 -0.228 0.000 0.899 29 L HN -0.117 7.975 8.230 -0.229 0.000 0.434 30 L N -4.489 116.464 121.223 -0.450 0.000 2.017 30 L HA -0.137 3.930 4.340 -0.454 0.000 0.208 30 L C -0.896 175.834 176.870 -0.234 0.000 1.073 30 L CA 3.011 57.596 54.840 -0.425 0.000 0.745 30 L CB -1.094 40.652 42.059 -0.522 0.000 0.894 30 L HN -0.432 7.387 8.230 -0.546 0.083 0.432 31 P HA 0.490 5.008 4.420 -0.115 -0.167 0.224 31 P C -1.989 175.257 177.300 -0.091 0.000 1.784 31 P CA -0.865 62.161 63.100 -0.123 0.000 1.198 31 P CB -1.145 30.485 31.700 -0.116 0.000 1.654 32 Q N 3.473 123.224 119.800 -0.082 0.000 2.534 32 Q HA -0.001 4.307 4.340 -0.054 0.000 0.207 32 Q C 1.746 177.713 176.000 -0.055 0.000 0.735 32 Q CA 1.254 57.020 55.803 -0.061 0.000 0.904 32 Q CB 1.584 30.290 28.738 -0.053 0.000 1.294 32 Q HN -0.212 8.068 8.270 -0.094 -0.066 0.553 33 E N 0.338 120.502 120.200 -0.061 0.000 2.051 33 E HA -0.270 4.051 4.350 -0.048 0.000 0.192 33 E C 1.199 177.769 176.600 -0.051 0.000 0.991 33 E CA 2.163 58.529 56.400 -0.056 0.000 0.799 33 E CB 0.271 29.930 29.700 -0.068 0.000 0.748 33 E HN -0.498 8.079 8.360 -0.068 -0.259 0.449 34 Q N -0.598 119.169 119.800 -0.056 0.000 2.571 34 Q HA 0.137 4.453 4.340 -0.040 0.000 0.222 34 Q C -0.385 175.583 176.000 -0.054 0.000 1.167 34 Q CA -0.714 55.060 55.803 -0.049 0.000 0.966 34 Q CB -0.400 28.312 28.738 -0.044 0.000 1.274 34 Q HN -0.503 7.855 8.270 -0.067 -0.129 0.552 35 R N 6.024 126.496 120.500 -0.047 0.000 2.061 35 R HA -0.264 4.042 4.340 -0.057 0.000 0.230 35 R C 0.497 176.769 176.300 -0.047 0.000 1.140 35 R CA 3.022 59.094 56.100 -0.048 0.000 0.940 35 R CB -0.493 29.784 30.300 -0.039 0.000 0.839 35 R HN 0.345 8.590 8.270 -0.042 0.000 0.429 36 S N -3.366 112.311 115.700 -0.038 0.000 2.527 36 S HA 0.039 4.485 4.470 -0.040 0.000 0.225 36 S C -0.298 174.283 174.600 -0.033 0.000 1.046 36 S CA 0.152 58.331 58.200 -0.035 0.000 0.929 36 S CB 0.345 63.529 63.200 -0.028 0.000 0.851 36 S HN -0.016 8.274 8.310 -0.034 0.000 0.565 37 V N 0.683 120.581 119.914 -0.027 0.000 2.427 37 V HA 0.057 4.165 4.120 -0.020 0.000 0.268 37 V C -0.896 175.185 176.094 -0.023 0.000 1.046 37 V CA -0.057 62.230 62.300 -0.021 0.000 0.970 37 V CB 0.340 32.154 31.823 -0.015 0.000 1.001 37 V HN -0.464 7.710 8.190 -0.026 0.000 0.476 38 E N 8.371 128.558 120.200 -0.021 0.000 1.856 38 E HA 0.133 4.466 4.350 -0.029 0.000 0.263 38 E C -0.630 175.969 176.600 -0.001 0.000 1.137 38 E CA -0.376 56.013 56.400 -0.019 0.000 1.007 38 E CB -1.621 28.065 29.700 -0.022 0.000 1.117 38 E HN 0.518 8.865 8.360 -0.021 0.000 0.438 39 S N 3.000 118.698 115.700 -0.003 0.000 2.412 39 S HA 0.005 4.480 4.470 0.009 0.000 0.223 39 S C 1.105 175.713 174.600 0.013 0.000 1.048 39 S CA 1.273 59.476 58.200 0.005 0.000 0.954 39 S CB 1.260 64.459 63.200 -0.002 0.000 0.840 39 S HN -0.239 8.016 8.310 -0.012 0.048 0.503 40 S N 4.075 119.782 115.700 0.011 0.000 2.642 40 S HA 0.187 4.670 4.470 0.022 0.000 0.309 40 S C -0.097 174.529 174.600 0.043 0.000 1.125 40 S CA -0.872 57.340 58.200 0.020 0.000 1.055 40 S CB -0.461 62.744 63.200 0.008 0.000 1.157 40 S HN -0.367 8.213 8.310 0.001 -0.270 0.513 41 L N 5.092 126.352 121.223 0.062 0.000 2.013 41 L HA -0.106 4.310 4.340 0.126 0.000 0.204 41 L C 1.294 178.244 176.870 0.134 0.000 1.081 41 L CA 2.500 57.405 54.840 0.108 0.000 0.751 41 L CB 0.331 42.456 42.059 0.110 0.000 0.901 41 L HN -0.723 7.536 8.230 0.049 0.000 0.440 42 R N -1.867 118.689 120.500 0.095 0.000 4.164 42 R HA -0.166 4.251 4.340 0.128 0.000 0.195 42 R C -1.061 175.286 176.300 0.079 0.000 1.712 42 R CA 1.019 57.172 56.100 0.089 0.000 1.457 42 R CB -2.103 28.220 30.300 0.039 0.000 1.387 42 R HN 0.050 8.361 8.270 0.069 0.000 0.785 43 A N -0.132 122.746 122.820 0.096 0.000 1.547 43 A HA 0.118 4.602 4.320 0.065 -0.126 0.206 43 A C -1.894 175.729 177.584 0.065 0.000 1.773 43 A CA 1.041 53.118 52.037 0.066 0.000 1.530 43 A CB 2.034 21.056 19.000 0.038 0.000 1.435 43 A HN 0.492 8.638 8.150 0.129 0.081 0.420 44 Q N 1.208 121.043 119.800 0.058 0.000 2.279 44 Q HA 0.082 4.433 4.340 0.019 0.000 0.256 44 Q C -1.683 174.392 176.000 0.125 0.000 0.937 44 Q CA -0.211 55.615 55.803 0.039 0.000 0.933 44 Q CB 1.276 30.001 28.738 -0.022 0.000 1.189 44 Q HN -0.524 7.786 8.270 0.066 0.000 0.417 45 V N 5.617 125.634 119.914 0.172 0.000 2.383 45 V HA 0.234 4.325 4.120 -0.050 0.000 0.275 45 V C -2.287 173.860 176.094 0.089 0.000 1.036 45 V CA -2.720 59.616 62.300 0.060 0.000 0.889 45 V CB 1.317 33.162 31.823 0.036 0.000 0.985 45 V HN 0.126 8.466 8.190 0.366 0.070 0.459 46 P HA 0.445 4.840 4.420 -0.042 0.000 0.283 46 P C 0.541 177.840 177.300 -0.000 0.000 1.278 46 P CA -1.252 61.795 63.100 -0.087 0.000 0.834 46 P CB 1.744 33.289 31.700 -0.258 0.000 1.150 47 F N -0.622 119.368 119.950 0.067 0.000 2.154 47 F HA -0.481 4.087 4.527 0.068 0.000 0.301 47 F C 1.113 176.934 175.800 0.034 0.000 1.087 47 F CA 4.059 62.090 58.000 0.051 0.000 1.274 47 F CB -1.345 37.673 39.000 0.029 0.000 1.009 47 F HN 0.543 8.714 8.300 -0.215 0.000 0.485 48 E N -0.000 120.203 120.200 0.005 0.000 2.070 48 E HA -0.514 3.885 4.350 0.082 0.000 0.197 48 E C 2.038 178.647 176.600 0.015 0.000 1.004 48 E CA 2.958 59.365 56.400 0.012 0.000 0.805 48 E CB -0.909 28.743 29.700 -0.081 0.000 0.744 48 E HN -0.044 8.114 8.360 -0.337 0.000 0.451 49 Q N -2.352 117.442 119.800 -0.010 0.000 2.172 49 Q HA -0.192 4.137 4.340 -0.018 0.000 0.200 49 Q C 1.773 177.795 176.000 0.036 0.000 0.964 49 Q CA 2.145 57.944 55.803 -0.007 0.000 0.855 49 Q CB -0.250 28.461 28.738 -0.045 0.000 0.918 49 Q HN -0.690 7.426 8.270 -0.033 0.133 0.444 50 I N -1.150 119.475 120.570 0.092 0.000 2.142 50 I HA -0.319 3.927 4.170 0.127 0.000 0.240 50 I C 2.163 178.342 176.117 0.103 0.000 1.078 50 I CA 2.236 63.615 61.300 0.132 0.000 1.343 50 I CB -0.220 37.903 38.000 0.204 0.000 1.046 50 I HN -0.206 8.064 8.210 0.099 0.000 0.405 51 L N -0.446 120.841 121.223 0.106 0.000 2.351 51 L HA -0.291 4.092 4.340 0.071 0.000 0.220 51 L C 2.029 178.930 176.870 0.051 0.000 1.127 51 L CA 2.504 57.392 54.840 0.079 0.000 0.786 51 L CB -0.360 41.758 42.059 0.099 0.000 0.914 51 L HN 0.425 8.627 8.230 0.135 0.109 0.443 52 S N -1.156 114.568 115.700 0.040 0.000 2.387 52 S HA -0.242 4.239 4.470 0.018 0.000 0.230 52 S C 0.579 175.190 174.600 0.019 0.000 1.035 52 S CA 2.546 60.759 58.200 0.020 0.000 1.014 52 S CB -0.042 63.161 63.200 0.004 0.000 0.836 52 S HN -0.497 7.675 8.310 0.047 0.166 0.466 53 L N -3.224 118.014 121.223 0.026 0.000 2.357 53 L HA 0.588 4.936 4.340 0.014 0.000 0.273 53 L C -1.294 175.590 176.870 0.023 0.000 1.080 53 L CA -2.148 52.705 54.840 0.022 0.000 0.803 53 L CB -1.028 41.047 42.059 0.026 0.000 1.174 53 L HN -1.010 7.207 8.230 0.037 0.036 0.443 54 P HA -0.334 4.093 4.420 0.011 0.000 0.214 54 P C 0.345 177.653 177.300 0.014 0.000 1.099 54 P CA 2.418 65.526 63.100 0.013 0.000 0.976 54 P CB 0.397 32.103 31.700 0.009 0.000 0.774 55 E N -2.879 117.330 120.200 0.015 0.000 2.321 55 E HA -0.033 4.321 4.350 0.007 0.000 0.189 55 E C -0.270 176.340 176.600 0.016 0.000 1.125 55 E CA -0.274 56.133 56.400 0.012 0.000 1.005 55 E CB -0.618 29.087 29.700 0.008 0.000 1.140 55 E HN 0.053 8.423 8.360 0.017 0.000 0.457 56 L N 0.001 121.239 121.223 0.025 0.000 3.047 56 L HA 0.096 4.453 4.340 0.028 0.000 0.242 56 L C -1.226 175.660 176.870 0.026 0.000 1.315 56 L CA 0.010 54.869 54.840 0.032 0.000 1.042 56 L CB -0.847 41.243 42.059 0.052 0.000 1.420 56 L HN -0.628 7.510 8.230 0.025 0.107 0.517 57 K N 0.597 121.005 120.400 0.014 0.000 2.641 57 K HA 0.070 4.399 4.320 0.015 0.000 0.222 57 K C 1.265 177.864 176.600 -0.001 0.000 1.474 57 K CA 0.721 57.014 56.287 0.010 0.000 0.873 57 K CB -0.111 32.395 32.500 0.009 0.000 1.817 57 K HN 0.009 8.180 8.250 0.010 0.084 0.419 58 A N 1.425 124.240 122.820 -0.008 0.000 3.135 58 A HA 0.143 4.450 4.320 -0.021 0.000 0.253 58 A C -1.040 176.523 177.584 -0.036 0.000 1.638 58 A CA -0.506 51.519 52.037 -0.021 0.000 1.295 58 A CB -1.688 17.300 19.000 -0.021 0.000 1.106 58 A HN 0.127 8.273 8.150 -0.006 0.000 0.648 59 N N 1.152 119.834 118.700 -0.030 0.000 2.707 59 N HA 0.345 5.037 4.740 -0.080 0.000 0.235 59 N C -0.820 174.665 175.510 -0.041 0.000 1.028 59 N CA -2.360 50.663 53.050 -0.045 0.000 0.906 59 N CB 1.421 39.900 38.487 -0.013 0.000 1.131 59 N HN -0.633 7.637 8.380 -0.016 0.100 0.509 60 P HA -0.010 4.409 4.420 -0.001 0.000 0.223 60 P C -0.887 176.502 177.300 0.148 0.000 1.144 60 P CA 1.443 64.527 63.100 -0.026 0.000 0.783 60 P CB 0.086 31.727 31.700 -0.097 0.000 0.771 61 F N -5.035 114.891 119.950 -0.040 0.000 2.732 61 F HA 0.168 4.639 4.527 -0.094 0.000 0.303 61 F C 1.297 177.043 175.800 -0.091 0.000 1.110 61 F CA -2.638 55.325 58.000 -0.062 0.000 1.355 61 F CB -1.326 37.667 39.000 -0.012 0.000 1.081 61 F HN -0.555 7.687 8.300 -0.004 0.056 0.565 62 K N -0.418 120.024 120.400 0.069 0.000 2.057 62 K HA -0.438 3.867 4.320 -0.025 0.000 0.207 62 K C 1.990 178.544 176.600 -0.076 0.000 1.049 62 K CA 3.657 59.940 56.287 -0.006 0.000 0.931 62 K CB -0.231 32.282 32.500 0.020 0.000 0.714 62 K HN -0.436 7.797 8.250 0.069 0.058 0.440 63 E N -2.353 117.787 120.200 -0.100 0.000 2.150 63 E HA -0.342 3.907 4.350 -0.169 0.000 0.193 63 E C 1.914 178.364 176.600 -0.252 0.000 0.985 63 E CA 3.162 59.446 56.400 -0.194 0.000 0.814 63 E CB -0.880 28.661 29.700 -0.266 0.000 0.752 63 E HN 0.423 8.743 8.360 -0.067 0.000 0.466 64 R N -1.365 118.986 120.500 -0.249 0.000 2.070 64 R HA -0.311 3.792 4.340 -0.394 0.000 0.233 64 R C 2.368 178.472 176.300 -0.326 0.000 1.137 64 R CA 2.741 58.646 56.100 -0.326 0.000 0.945 64 R CB -0.583 29.503 30.300 -0.357 0.000 0.845 64 R HN -0.169 8.004 8.270 -0.161 0.000 0.430 65 I N 0.976 121.362 120.570 -0.306 0.000 2.091 65 I HA -0.456 3.530 4.170 -0.306 0.000 0.239 65 I C 2.272 177.733 176.117 -1.093 0.000 1.061 65 I CA 3.841 64.804 61.300 -0.561 0.000 1.317 65 I CB -0.144 37.630 38.000 -0.376 0.000 1.031 65 I HN 0.393 8.483 8.210 -0.199 0.000 0.401 66 C N -1.006 117.890 119.300 -0.673 0.000 2.363 66 C HA -0.560 3.977 4.460 0.129 0.000 0.274 66 C C 2.549 177.544 174.990 0.010 0.000 1.183 66 C CA 4.742 63.670 59.018 -0.150 0.000 1.771 66 C CB -0.835 26.927 27.740 0.037 0.000 2.059 66 C HN -0.276 7.683 8.230 -0.452 0.000 0.455 67 R N -1.355 119.082 120.500 -0.104 0.000 2.081 67 R HA -0.348 3.989 4.340 -0.005 0.000 0.235 67 R C 2.533 178.800 176.300 -0.056 0.000 1.131 67 R CA 3.301 59.352 56.100 -0.081 0.000 0.960 67 R CB -0.031 30.154 30.300 -0.192 0.000 0.856 67 R HN -0.539 7.613 8.270 -0.196 0.000 0.436 68 V N -0.650 119.190 119.914 -0.124 0.000 2.358 68 V HA -0.376 3.683 4.120 -0.101 0.000 0.246 68 V C 1.625 177.829 176.094 0.184 0.000 1.047 68 V CA 3.580 65.823 62.300 -0.095 0.000 1.035 68 V CB -0.208 31.355 31.823 -0.434 0.000 0.658 68 V HN -0.250 7.810 8.190 -0.217 0.000 0.452 69 F N -3.103 116.912 119.950 0.108 0.000 2.065 69 F HA -0.404 4.232 4.527 0.183 0.000 0.298 69 F C 1.068 176.930 175.800 0.103 0.000 1.112 69 F CA 1.939 60.029 58.000 0.149 0.000 1.212 69 F CB -0.780 38.324 39.000 0.173 0.000 0.975 69 F HN -0.265 8.224 8.300 0.316 0.000 0.476 70 S N -5.788 110.092 115.700 0.300 0.000 3.334 70 S HA 0.090 4.788 4.470 0.145 -0.141 0.224 70 S C 1.034 175.708 174.600 0.123 0.000 0.959 70 S CA 0.453 58.764 58.200 0.185 0.000 0.815 70 S CB 0.863 64.183 63.200 0.201 0.000 0.861 70 S HN -0.523 7.975 8.310 0.314 0.000 0.596 71 T N 1.151 115.771 114.554 0.109 0.000 2.815 71 T HA 0.051 4.484 4.350 0.139 0.000 0.244 71 T C 0.277 175.026 174.700 0.082 0.000 1.040 71 T CA 2.296 64.467 62.100 0.118 0.000 1.176 71 T CB 0.783 69.737 68.868 0.142 0.000 0.880 71 T HN -0.220 8.062 8.240 0.070 0.000 0.414 72 S N -0.397 115.335 115.700 0.054 0.000 4.158 72 S HA -0.292 4.193 4.470 0.024 0.000 0.617 72 S C -2.130 172.502 174.600 0.053 0.000 1.867 72 S CA 1.026 59.251 58.200 0.041 0.000 4.249 72 S CB -2.423 60.797 63.200 0.033 0.000 0.203 72 S HN 0.232 8.566 8.310 0.041 0.000 0.457 73 P HA 0.089 4.546 4.420 0.062 0.000 0.276 73 P C -1.680 175.689 177.300 0.114 0.000 1.252 73 P CA -0.477 62.665 63.100 0.070 0.000 0.802 73 P CB 0.531 32.262 31.700 0.052 0.000 1.035 74 A N 0.373 123.272 122.820 0.132 0.000 2.477 74 A HA -0.155 4.400 4.320 0.391 0.000 0.246 74 A C 0.981 178.618 177.584 0.088 0.000 1.078 74 A CA 0.943 53.111 52.037 0.219 0.000 0.770 74 A CB 0.304 19.433 19.000 0.216 0.000 1.011 74 A HN 0.133 8.342 8.150 0.099 0.000 0.494 75 K N -1.434 118.944 120.400 -0.036 0.000 3.467 75 K HA -0.384 3.665 4.320 -0.452 0.000 0.375 75 K C -0.544 176.013 176.600 -0.071 0.000 0.589 75 K CA 2.403 58.568 56.287 -0.203 0.000 1.651 75 K CB -1.180 31.209 32.500 -0.184 0.000 1.135 75 K HN 0.514 8.826 8.250 0.104 0.000 0.459 76 D N 0.328 120.732 120.400 0.008 0.000 2.398 76 D HA -0.097 4.711 4.640 0.033 -0.148 0.250 76 D C -0.671 175.680 176.300 0.085 0.000 1.287 76 D CA 0.705 54.730 54.000 0.042 0.000 0.992 76 D CB 0.289 41.114 40.800 0.042 0.000 1.071 76 D HN -0.422 7.862 8.370 0.025 0.101 0.514 77 S N 5.390 121.152 115.700 0.104 0.000 4.333 77 S HA 0.281 4.856 4.470 0.174 0.000 0.203 77 S C -0.688 174.035 174.600 0.206 0.000 1.107 77 S CA -0.931 57.371 58.200 0.170 0.000 1.753 77 S CB 2.089 65.411 63.200 0.203 0.000 1.009 77 S HN 0.277 8.633 8.310 0.075 0.000 0.779 78 L N -0.127 121.260 121.223 0.274 0.000 2.401 78 L HA 0.414 4.921 4.340 0.278 0.000 0.283 78 L C -0.592 176.506 176.870 0.379 0.000 1.151 78 L CA -0.612 54.429 54.840 0.335 0.000 0.942 78 L CB -1.518 40.805 42.059 0.439 0.000 1.283 78 L HN -0.208 8.184 8.230 0.271 0.000 0.442 79 S N 3.997 119.860 115.700 0.271 0.000 2.589 79 S HA 0.015 4.730 4.470 0.408 0.000 0.265 79 S C 0.759 175.423 174.600 0.107 0.000 1.342 79 S CA -0.572 57.785 58.200 0.262 0.000 1.005 79 S CB 1.799 65.090 63.200 0.152 0.000 0.909 79 S HN -0.267 8.280 8.310 0.207 -0.113 0.555 80 F N 3.446 123.219 119.950 -0.294 0.000 2.161 80 F HA -0.353 3.496 4.527 -1.130 0.000 0.300 80 F C 1.088 176.853 175.800 -0.060 0.000 1.089 80 F CA 3.897 61.533 58.000 -0.606 0.000 1.282 80 F CB 0.383 38.972 39.000 -0.685 0.000 1.010 80 F HN -0.179 8.205 8.300 0.139 0.000 0.485 81 E N -0.399 119.772 120.200 -0.049 0.000 2.038 81 E HA -0.465 4.012 4.350 -0.104 -0.190 0.195 81 E C 1.796 178.315 176.600 -0.134 0.000 1.000 81 E CA 3.193 59.547 56.400 -0.077 0.000 0.803 81 E CB -0.415 29.267 29.700 -0.030 0.000 0.750 81 E HN 0.041 8.474 8.360 0.122 0.000 0.448 82 D N 0.222 120.584 120.400 -0.063 0.000 2.106 82 D HA -0.347 4.270 4.640 -0.040 0.000 0.191 82 D C 2.240 178.451 176.300 -0.147 0.000 0.997 82 D CA 3.407 57.380 54.000 -0.044 0.000 0.834 82 D CB -0.473 40.362 40.800 0.058 0.000 0.956 82 D HN -0.863 7.492 8.370 -0.026 0.000 0.448 83 F N 0.670 120.455 119.950 -0.276 0.000 2.111 83 F HA -0.468 3.873 4.527 -0.310 0.000 0.300 83 F C 2.013 177.585 175.800 -0.379 0.000 1.088 83 F CA 3.475 61.278 58.000 -0.329 0.000 1.243 83 F CB 0.217 39.076 39.000 -0.234 0.000 0.996 83 F HN 0.298 8.444 8.300 0.012 0.161 0.483 84 L N -2.945 118.003 121.223 -0.459 0.000 2.049 84 L HA -0.429 3.702 4.340 -0.349 0.000 0.203 84 L C 1.734 178.449 176.870 -0.258 0.000 1.074 84 L CA 3.017 57.623 54.840 -0.390 0.000 0.749 84 L CB -0.355 41.435 42.059 -0.447 0.000 0.907 84 L HN 0.144 8.053 8.230 -0.535 0.000 0.439 85 D N -0.635 119.646 120.400 -0.198 0.000 2.149 85 D HA -0.351 4.245 4.640 -0.073 0.000 0.194 85 D C 2.721 178.986 176.300 -0.060 0.000 1.001 85 D CA 3.816 57.757 54.000 -0.098 0.000 0.849 85 D CB 0.056 40.821 40.800 -0.059 0.000 0.939 85 D HN -0.324 7.961 8.370 -0.225 -0.050 0.449 86 L N -3.211 117.936 121.223 -0.128 0.000 1.955 86 L HA -0.259 4.166 4.340 0.143 0.000 0.213 86 L C 1.635 178.487 176.870 -0.031 0.000 1.072 86 L CA 3.279 58.069 54.840 -0.084 0.000 0.755 86 L CB -0.855 40.906 42.059 -0.496 0.000 0.888 86 L HN -0.302 7.797 8.230 -0.219 0.000 0.432 87 L N -2.442 118.664 121.223 -0.194 0.000 2.156 87 L HA -0.332 4.049 4.340 0.068 0.000 0.208 87 L C 2.050 178.934 176.870 0.023 0.000 1.095 87 L CA 2.368 57.157 54.840 -0.087 0.000 0.770 87 L CB -0.356 41.528 42.059 -0.291 0.000 0.914 87 L HN -0.640 7.350 8.230 -0.400 0.000 0.439 88 S N -1.108 114.593 115.700 0.002 0.000 2.400 88 S HA -0.343 4.219 4.470 0.152 0.000 0.234 88 S C 1.519 176.201 174.600 0.138 0.000 1.049 88 S CA 3.536 61.803 58.200 0.112 0.000 1.039 88 S CB -0.222 63.032 63.200 0.091 0.000 0.856 88 S HN -0.218 8.045 8.310 -0.078 0.000 0.465 89 V N -0.800 119.142 119.914 0.048 0.000 2.332 89 V HA -0.336 3.745 4.120 -0.065 0.000 0.248 89 V C 0.574 176.512 176.094 -0.260 0.000 1.055 89 V CA 3.318 65.548 62.300 -0.117 0.000 1.038 89 V CB 0.121 31.823 31.823 -0.203 0.000 0.651 89 V HN -0.619 7.461 8.190 0.047 0.138 0.450 90 F N -6.110 113.751 119.950 -0.149 0.000 2.789 90 F HA 0.143 4.760 4.527 -0.090 -0.143 0.300 90 F C 0.415 176.164 175.800 -0.085 0.000 1.132 90 F CA 0.049 57.982 58.000 -0.112 0.000 1.404 90 F CB 0.676 39.610 39.000 -0.111 0.000 1.114 90 F HN -0.962 7.346 8.300 0.176 0.098 0.584 91 S N 0.290 116.029 115.700 0.065 0.000 2.558 91 S HA -0.218 4.276 4.470 0.041 0.000 0.288 91 S C -0.633 173.927 174.600 -0.066 0.000 1.318 91 S CA 0.965 59.174 58.200 0.016 0.000 1.056 91 S CB 0.974 64.206 63.200 0.054 0.000 0.853 91 S HN -0.472 7.721 8.310 0.071 0.159 0.505 92 D N 6.145 126.522 120.400 -0.038 0.000 2.424 92 D HA -0.140 4.447 4.640 -0.088 0.000 0.244 92 D C 0.456 176.696 176.300 -0.100 0.000 1.134 92 D CA 1.660 55.620 54.000 -0.066 0.000 0.881 92 D CB 0.474 41.260 40.800 -0.023 0.000 1.191 92 D HN 0.390 8.759 8.370 -0.001 0.000 0.445 93 T N 0.547 115.006 114.554 -0.158 0.000 9.189 93 T HA -0.301 3.957 4.350 -0.154 0.000 0.327 93 T C -1.066 173.208 174.700 -0.709 0.000 1.987 93 T CA 0.806 62.765 62.100 -0.234 0.000 3.270 93 T CB -0.389 68.470 68.868 -0.016 0.000 1.870 93 T HN -0.118 8.035 8.240 -0.145 0.000 0.772 94 A N 3.673 125.921 122.820 -0.954 0.000 2.462 94 A HA 0.077 2.745 4.320 -2.753 0.000 0.243 94 A C -0.321 176.904 177.584 -0.597 0.000 1.076 94 A CA 0.378 51.638 52.037 -1.294 0.000 0.773 94 A CB 0.913 19.457 19.000 -0.761 0.000 1.010 94 A HN -0.479 7.155 8.150 -0.551 0.185 0.493 95 T N -0.864 113.418 114.554 -0.452 0.000 2.913 95 T HA 0.219 4.453 4.350 -0.193 0.000 0.297 95 T C 0.202 174.802 174.700 -0.165 0.000 1.029 95 T CA -3.492 58.480 62.100 -0.214 0.000 1.104 95 T CB 0.572 69.378 68.868 -0.103 0.000 0.964 95 T HN -0.094 7.801 8.240 -0.575 0.000 0.532 96 P HA -0.200 4.362 4.420 -0.046 -0.170 0.216 96 P C 0.918 178.169 177.300 -0.082 0.000 1.150 96 P CA 2.396 65.460 63.100 -0.059 0.000 0.843 96 P CB -0.036 31.658 31.700 -0.010 0.000 0.787 97 D N -2.025 118.297 120.400 -0.131 0.000 2.097 97 D HA -0.273 4.275 4.640 -0.153 0.000 0.195 97 D C 2.422 178.408 176.300 -0.523 0.000 0.989 97 D CA 4.070 57.908 54.000 -0.269 0.000 0.827 97 D CB -0.500 40.141 40.800 -0.266 0.000 0.966 97 D HN 0.185 8.457 8.370 -0.112 0.031 0.456 98 I N 0.256 120.588 120.570 -0.397 0.000 2.335 98 I HA -0.425 3.513 4.170 -0.387 0.000 0.251 98 I C 1.661 177.657 176.117 -0.202 0.000 1.129 98 I CA 2.999 64.129 61.300 -0.283 0.000 1.402 98 I CB -0.061 37.869 38.000 -0.116 0.000 1.069 98 I HN -0.771 7.278 8.210 -0.268 0.000 0.424 99 K N -0.697 119.541 120.400 -0.270 0.000 2.025 99 K HA -0.411 3.527 4.320 -0.637 0.000 0.207 99 K C 2.119 178.480 176.600 -0.398 0.000 1.049 99 K CA 3.842 59.858 56.287 -0.452 0.000 0.933 99 K CB -0.397 31.888 32.500 -0.358 0.000 0.714 99 K HN -0.688 7.418 8.250 -0.240 0.000 0.438 100 S N 0.033 115.682 115.700 -0.085 0.000 2.370 100 S HA -0.435 4.225 4.470 0.316 0.000 0.226 100 S C 1.727 176.536 174.600 0.348 0.000 1.033 100 S CA 3.460 61.789 58.200 0.215 0.000 1.011 100 S CB -0.199 63.161 63.200 0.267 0.000 0.852 100 S HN -0.075 8.185 8.310 -0.082 0.000 0.457 101 H N 1.511 120.629 119.070 0.081 0.000 2.319 101 H HA -0.383 4.225 4.556 0.087 0.000 0.299 101 H C 2.316 177.681 175.328 0.062 0.000 1.092 101 H CA 2.914 59.003 56.048 0.068 0.000 1.302 101 H CB 0.089 29.864 29.762 0.021 0.000 1.373 101 H HN 0.016 8.399 8.280 0.171 0.000 0.497 102 Y N -0.003 120.295 120.300 -0.004 0.000 2.128 102 Y HA -0.563 3.965 4.550 -0.036 0.000 0.284 102 Y C 1.289 177.128 175.900 -0.102 0.000 1.154 102 Y CA 3.732 61.761 58.100 -0.118 0.000 1.149 102 Y CB -0.196 38.065 38.460 -0.332 0.000 0.976 102 Y HN -0.252 8.113 8.280 0.142 0.000 0.505 103 A N -1.549 121.306 122.820 0.058 0.000 1.892 103 A HA -0.443 4.022 4.320 0.242 0.000 0.218 103 A C 1.799 179.489 177.584 0.178 0.000 1.188 103 A CA 2.959 55.149 52.037 0.256 0.000 0.631 103 A CB -1.155 18.168 19.000 0.539 0.000 0.822 103 A HN 0.079 8.192 8.150 -0.063 0.000 0.447 104 F N -0.622 119.194 119.950 -0.222 0.000 2.087 104 F HA -0.482 3.288 4.527 -1.263 0.000 0.299 104 F C 1.686 177.312 175.800 -0.291 0.000 1.100 104 F CA 3.599 61.222 58.000 -0.628 0.000 1.226 104 F CB 0.186 38.863 39.000 -0.538 0.000 0.983 104 F HN 0.051 8.505 8.300 0.257 0.000 0.479 105 R N -2.458 117.897 120.500 -0.243 0.000 2.189 105 R HA -0.367 3.783 4.340 -0.316 0.000 0.223 105 R C 2.310 178.391 176.300 -0.365 0.000 1.092 105 R CA 2.963 58.877 56.100 -0.310 0.000 0.989 105 R CB -0.283 29.854 30.300 -0.272 0.000 0.876 105 R HN -0.306 7.927 8.270 -0.061 0.000 0.457 106 I N -1.579 118.758 120.570 -0.388 0.000 2.208 106 I HA -0.384 3.501 4.170 -0.475 0.000 0.245 106 I C 2.073 177.960 176.117 -0.384 0.000 1.097 106 I CA 2.036 63.050 61.300 -0.477 0.000 1.363 106 I CB -1.254 36.375 38.000 -0.617 0.000 1.051 106 I HN -0.319 7.669 8.210 -0.323 0.029 0.413 107 F N -1.637 118.118 119.950 -0.326 0.000 2.187 107 F HA -0.204 4.242 4.527 -0.135 0.000 0.295 107 F C 0.859 176.482 175.800 -0.295 0.000 1.091 107 F CA 2.285 60.115 58.000 -0.282 0.000 1.308 107 F CB 0.375 39.148 39.000 -0.379 0.000 1.030 107 F HN -0.878 7.331 8.300 -0.153 0.000 0.487 108 D N -0.432 119.779 120.400 -0.316 0.000 2.498 108 D HA -0.029 4.464 4.640 -0.244 0.000 0.229 108 D C 0.921 177.199 176.300 -0.037 0.000 1.188 108 D CA -1.159 52.669 54.000 -0.286 0.000 1.028 108 D CB -1.507 38.972 40.800 -0.535 0.000 1.087 108 D HN -0.139 7.942 8.370 -0.481 0.000 0.510 109 F N 5.176 125.009 119.950 -0.195 0.000 2.026 109 F HA -0.376 4.045 4.527 -0.177 0.000 0.296 109 F C 1.660 177.389 175.800 -0.119 0.000 1.133 109 F CA 1.229 59.137 58.000 -0.154 0.000 1.188 109 F CB -0.214 38.715 39.000 -0.119 0.000 0.968 109 F HN -0.194 8.178 8.300 0.213 0.056 0.476 110 D N -4.436 116.028 120.400 0.105 0.000 2.371 110 D HA -0.274 4.379 4.640 0.022 0.000 0.234 110 D C 0.318 176.620 176.300 0.003 0.000 1.049 110 D CA 0.685 54.706 54.000 0.035 0.000 0.907 110 D CB -0.492 40.330 40.800 0.036 0.000 0.891 110 D HN -0.433 8.011 8.370 0.124 0.000 0.531 111 D N -1.925 118.466 120.400 -0.014 0.000 2.983 111 D HA -0.346 4.278 4.640 -0.027 0.000 0.225 111 D C 0.488 176.794 176.300 0.009 0.000 1.174 111 D CA 1.855 55.846 54.000 -0.015 0.000 0.831 111 D CB -0.772 40.015 40.800 -0.022 0.000 1.104 111 D HN -0.371 7.874 8.370 -0.019 0.113 0.421 112 D N -1.254 119.154 120.400 0.013 0.000 2.352 112 D HA -0.098 4.551 4.640 0.014 0.000 0.232 112 D C 1.198 177.524 176.300 0.043 0.000 1.055 112 D CA -0.170 53.843 54.000 0.021 0.000 0.891 112 D CB -1.222 39.585 40.800 0.012 0.000 0.897 112 D HN -0.086 8.278 8.370 0.004 0.008 0.529 113 G N -0.958 107.900 108.800 0.095 0.000 2.179 113 G HA2 -0.441 3.671 3.960 0.253 0.000 0.260 113 G HA3 -0.441 3.555 3.960 0.060 0.000 0.260 113 G C -1.242 173.829 174.900 0.285 0.000 0.977 113 G CA 0.311 45.512 45.100 0.169 0.000 0.641 113 G HN -0.419 7.836 8.290 0.084 0.084 0.533 114 T N -3.217 111.451 114.554 0.190 0.000 2.928 114 T HA 0.526 5.219 4.350 0.317 -0.153 0.296 114 T C -0.307 174.379 174.700 -0.023 0.000 1.000 114 T CA -2.626 59.566 62.100 0.153 0.000 0.989 114 T CB 2.829 71.736 68.868 0.066 0.000 1.005 114 T HN -0.497 7.980 8.240 0.094 -0.181 0.442 115 L N 5.707 126.873 121.223 -0.095 0.000 2.433 115 L HA 0.174 4.369 4.340 -0.241 0.000 0.284 115 L C -0.412 176.401 176.870 -0.096 0.000 1.120 115 L CA -0.525 54.200 54.840 -0.192 0.000 0.879 115 L CB -1.334 40.570 42.059 -0.258 0.000 1.232 115 L HN 0.999 9.152 8.230 0.063 0.115 0.454 116 N N 3.505 122.146 118.700 -0.098 0.000 2.467 116 N HA 0.142 4.851 4.740 -0.052 0.000 0.262 116 N C 0.986 176.441 175.510 -0.091 0.000 1.234 116 N CA -0.735 52.269 53.050 -0.077 0.000 0.952 116 N CB 1.259 39.706 38.487 -0.066 0.000 1.158 116 N HN -0.388 7.921 8.380 -0.118 0.000 0.463 117 R N 0.722 121.182 120.500 -0.066 0.000 2.096 117 R HA -0.497 3.809 4.340 -0.056 0.000 0.240 117 R C 1.753 178.001 176.300 -0.087 0.000 1.139 117 R CA 4.281 60.344 56.100 -0.061 0.000 0.952 117 R CB -0.655 29.621 30.300 -0.039 0.000 0.854 117 R HN 0.645 8.885 8.270 -0.050 0.000 0.436 118 E N 0.300 120.440 120.200 -0.100 0.000 2.038 118 E HA -0.305 3.981 4.350 -0.107 0.000 0.195 118 E C 2.512 178.959 176.600 -0.254 0.000 1.000 118 E CA 2.868 59.188 56.400 -0.133 0.000 0.803 118 E CB -0.455 29.184 29.700 -0.103 0.000 0.750 118 E HN 0.129 8.439 8.360 -0.084 0.000 0.448 119 D N 0.575 120.772 120.400 -0.338 0.000 2.117 119 D HA -0.251 3.711 4.640 -1.129 0.000 0.197 119 D C 2.310 178.294 176.300 -0.527 0.000 0.987 119 D CA 3.087 56.686 54.000 -0.669 0.000 0.829 119 D CB -0.377 40.112 40.800 -0.517 0.000 0.961 119 D HN -0.303 8.239 8.370 -0.235 -0.313 0.460 120 L N -0.693 120.405 121.223 -0.208 0.000 2.079 120 L HA -0.343 4.091 4.340 0.157 0.000 0.210 120 L C 1.608 178.465 176.870 -0.022 0.000 1.081 120 L CA 3.131 57.966 54.840 -0.008 0.000 0.752 120 L CB -0.191 41.876 42.059 0.013 0.000 0.896 120 L HN -0.080 8.036 8.230 -0.190 0.000 0.433 121 S N 0.164 115.813 115.700 -0.084 0.000 2.355 121 S HA -0.324 4.142 4.470 -0.006 0.000 0.222 121 S C 2.381 176.942 174.600 -0.065 0.000 1.031 121 S CA 3.553 61.720 58.200 -0.054 0.000 0.993 121 S CB -0.648 62.520 63.200 -0.052 0.000 0.859 121 S HN -0.061 8.180 8.310 -0.114 0.000 0.453 122 R N 1.818 122.217 120.500 -0.168 0.000 2.073 122 R HA -0.240 4.096 4.340 -0.005 0.000 0.234 122 R C 2.673 179.000 176.300 0.044 0.000 1.134 122 R CA 2.072 58.105 56.100 -0.110 0.000 0.952 122 R CB -0.736 29.421 30.300 -0.239 0.000 0.850 122 R HN -0.029 8.082 8.270 -0.266 0.000 0.433 123 L N -0.118 121.070 121.223 -0.057 0.000 1.970 123 L HA -0.312 4.232 4.340 0.340 0.000 0.212 123 L C 1.682 178.631 176.870 0.131 0.000 1.071 123 L CA 3.262 58.190 54.840 0.146 0.000 0.751 123 L CB -0.306 41.742 42.059 -0.019 0.000 0.889 123 L HN 0.138 8.124 8.230 -0.407 0.000 0.432 124 V N -1.639 118.335 119.914 0.100 0.000 2.343 124 V HA -0.560 3.656 4.120 0.160 0.000 0.247 124 V C 1.356 177.507 176.094 0.095 0.000 1.051 124 V CA 4.490 66.867 62.300 0.128 0.000 1.036 124 V CB 0.094 32.008 31.823 0.151 0.000 0.654 124 V HN -0.239 7.992 8.190 0.067 0.000 0.451 125 N N -0.390 118.351 118.700 0.069 0.000 2.094 125 N HA -0.407 4.361 4.740 0.046 0.000 0.191 125 N C 1.891 177.440 175.510 0.066 0.000 1.023 125 N CA 3.847 56.931 53.050 0.056 0.000 0.857 125 N CB -0.211 38.299 38.487 0.039 0.000 1.013 125 N HN 0.112 8.526 8.380 0.057 0.000 0.426 126 C N -1.609 117.751 119.300 0.100 0.000 2.401 126 C HA -0.290 4.213 4.460 0.072 0.000 0.276 126 C C 0.984 176.015 174.990 0.067 0.000 1.233 126 C CA 3.644 62.723 59.018 0.102 0.000 1.753 126 C CB -1.047 26.789 27.740 0.160 0.000 2.029 126 C HN -0.422 7.799 8.230 0.121 0.081 0.478 127 L N -3.381 117.886 121.223 0.072 0.000 2.162 127 L HA -0.017 4.269 4.340 -0.090 0.000 0.205 127 L C 1.002 177.863 176.870 -0.015 0.000 1.086 127 L CA 2.201 57.023 54.840 -0.030 0.000 0.778 127 L CB 0.554 42.558 42.059 -0.092 0.000 0.928 127 L HN -0.761 7.548 8.230 0.131 0.000 0.446 128 T N -1.455 113.112 114.554 0.022 0.000 2.896 128 T HA -0.122 4.234 4.350 0.010 0.000 0.263 128 T C 1.432 176.139 174.700 0.012 0.000 1.050 128 T CA 2.804 64.915 62.100 0.019 0.000 1.140 128 T CB 0.366 69.255 68.868 0.035 0.000 0.877 128 T HN -0.029 8.239 8.240 0.047 0.000 0.457 129 G N 0.761 109.571 108.800 0.016 0.000 3.197 129 G HA2 0.017 3.983 3.960 0.010 0.000 0.257 129 G HA3 0.017 3.986 3.960 0.015 0.000 0.257 129 G C -1.201 173.701 174.900 0.004 0.000 0.835 129 G CA 0.040 45.147 45.100 0.011 0.000 2.001 129 G HN -0.335 7.969 8.290 0.024 0.000 0.625 130 E N 2.063 122.261 120.200 -0.003 0.000 3.249 130 E HA 0.052 4.398 4.350 -0.006 0.000 0.184 130 E C 0.863 177.458 176.600 -0.007 0.000 1.163 130 E CA 0.160 56.555 56.400 -0.008 0.000 1.353 130 E CB 1.568 31.256 29.700 -0.020 0.000 1.466 130 E HN -0.406 7.870 8.360 -0.002 0.083 0.502 131 G N 0.737 109.532 108.800 -0.008 0.000 3.343 131 G HA2 -0.032 3.925 3.960 -0.005 0.000 0.264 131 G HA3 -0.032 3.924 3.960 -0.007 0.000 0.264 131 G C -0.850 174.049 174.900 -0.002 0.000 0.884 131 G CA -0.218 44.879 45.100 -0.005 0.000 1.916 131 G HN 0.175 8.459 8.290 -0.010 0.000 0.618 132 E N -0.854 119.346 120.200 -0.000 0.000 2.313 132 E HA -0.412 3.940 4.350 0.002 0.000 0.190 132 E C -1.553 175.049 176.600 0.003 0.000 1.406 132 E CA 0.276 56.677 56.400 0.002 0.000 0.668 132 E CB -0.776 28.925 29.700 0.001 0.000 1.135 132 E HN -0.319 7.973 8.360 -0.001 0.068 0.375 133 D N 0.649 121.052 120.400 0.005 0.000 2.455 133 D HA -0.030 4.614 4.640 0.007 0.000 0.234 133 D C 0.282 176.586 176.300 0.007 0.000 1.224 133 D CA -0.170 53.834 54.000 0.007 0.000 0.999 133 D CB -0.182 40.623 40.800 0.009 0.000 1.072 133 D HN 0.121 8.493 8.370 0.004 0.000 0.514 134 T N 4.500 119.057 114.554 0.006 0.000 2.802 134 T HA -0.037 4.316 4.350 0.005 0.000 0.305 134 T C 1.289 175.993 174.700 0.006 0.000 1.053 134 T CA 0.053 62.156 62.100 0.005 0.000 1.058 134 T CB 0.964 69.835 68.868 0.004 0.000 0.988 134 T HN -0.506 7.687 8.240 0.005 0.050 0.539 135 R N 1.208 121.712 120.500 0.005 0.000 2.119 135 R HA -0.408 3.935 4.340 0.006 0.000 0.246 135 R C 2.608 178.911 176.300 0.006 0.000 1.146 135 R CA 3.827 59.931 56.100 0.005 0.000 0.962 135 R CB -0.475 29.828 30.300 0.004 0.000 0.863 135 R HN 0.518 8.791 8.270 0.005 0.000 0.442 136 L N -1.032 120.194 121.223 0.005 0.000 2.027 136 L HA -0.212 4.131 4.340 0.005 0.000 0.206 136 L C 1.306 178.180 176.870 0.007 0.000 1.074 136 L CA 3.302 58.145 54.840 0.006 0.000 0.745 136 L CB -0.560 41.502 42.059 0.005 0.000 0.898 136 L HN -0.025 8.208 8.230 0.005 0.000 0.433 137 S N -0.876 114.829 115.700 0.008 0.000 2.400 137 S HA -0.358 4.234 4.470 0.011 -0.116 0.232 137 S C 2.122 176.729 174.600 0.012 0.000 1.025 137 S CA 3.152 61.358 58.200 0.010 0.000 0.993 137 S CB -0.612 62.593 63.200 0.009 0.000 0.808 137 S HN -0.439 7.875 8.310 0.007 0.000 0.478 138 A N 1.597 124.423 122.820 0.011 0.000 1.855 138 A HA -0.178 4.217 4.320 0.015 -0.066 0.215 138 A C 1.830 179.420 177.584 0.011 0.000 1.191 138 A CA 2.899 54.943 52.037 0.012 0.000 0.613 138 A CB -0.708 18.298 19.000 0.010 0.000 0.829 138 A HN 0.063 8.218 8.150 0.009 0.000 0.442 139 S N -1.164 114.541 115.700 0.009 0.000 2.387 139 S HA -0.376 4.098 4.470 0.006 0.000 0.230 139 S C 2.411 177.016 174.600 0.008 0.000 1.035 139 S CA 3.656 61.860 58.200 0.007 0.000 1.014 139 S CB -0.351 62.852 63.200 0.006 0.000 0.836 139 S HN -0.172 8.142 8.310 0.008 0.000 0.466 140 E N 0.532 120.737 120.200 0.010 0.000 2.049 140 E HA -0.389 3.966 4.350 0.009 0.000 0.198 140 E C 2.709 179.318 176.600 0.015 0.000 1.007 140 E CA 3.223 59.630 56.400 0.011 0.000 0.809 140 E CB -0.270 29.437 29.700 0.012 0.000 0.749 140 E HN 0.005 8.371 8.360 0.010 0.000 0.450 141 M N -1.384 118.228 119.600 0.020 0.000 2.200 141 M HA -0.278 4.219 4.480 0.028 0.000 0.265 141 M C 2.187 178.499 176.300 0.020 0.000 1.066 141 M CA 3.534 58.849 55.300 0.026 0.000 1.127 141 M CB -0.091 32.531 32.600 0.036 0.000 1.379 141 M HN -0.548 7.754 8.290 0.019 0.000 0.420 142 K N -1.076 119.333 120.400 0.014 0.000 2.211 142 K HA -0.353 3.971 4.320 0.006 0.000 0.204 142 K C 2.833 179.436 176.600 0.005 0.000 1.047 142 K CA 3.035 59.326 56.287 0.008 0.000 0.935 142 K CB -0.464 32.040 32.500 0.005 0.000 0.728 142 K HN -0.282 7.977 8.250 0.014 0.000 0.452 143 Q N -1.857 117.946 119.800 0.006 0.000 2.096 143 Q HA -0.188 4.153 4.340 0.002 0.000 0.197 143 Q C 2.161 178.164 176.000 0.005 0.000 0.964 143 Q CA 2.470 58.275 55.803 0.004 0.000 0.838 143 Q CB 0.545 29.285 28.738 0.004 0.000 0.906 143 Q HN -0.148 8.126 8.270 0.008 0.000 0.444 144 L N 0.520 121.748 121.223 0.009 0.000 2.201 144 L HA -0.229 4.115 4.340 0.006 0.000 0.212 144 L C 1.300 178.177 176.870 0.011 0.000 1.105 144 L CA 1.980 56.826 54.840 0.010 0.000 0.775 144 L CB -0.257 41.810 42.059 0.015 0.000 0.913 144 L HN -0.220 8.016 8.230 0.011 0.000 0.440 145 I N 0.371 120.949 120.570 0.013 0.000 2.118 145 I HA -0.663 3.515 4.170 0.014 0.000 0.241 145 I C 0.358 176.474 176.117 -0.002 0.000 1.070 145 I CA 4.681 65.986 61.300 0.009 0.000 1.327 145 I CB -0.514 37.491 38.000 0.008 0.000 1.034 145 I HN 0.261 8.480 8.210 0.015 0.000 0.405 146 D N -1.310 119.089 120.400 -0.003 0.000 2.092 146 D HA -0.394 4.241 4.640 -0.008 0.000 0.193 146 D C 2.527 178.824 176.300 -0.004 0.000 0.994 146 D CA 4.151 58.148 54.000 -0.005 0.000 0.828 146 D CB -0.774 40.023 40.800 -0.005 0.000 0.963 146 D HN -0.073 8.297 8.370 -0.001 0.000 0.450 147 N N -0.419 118.280 118.700 -0.002 0.000 2.166 147 N HA -0.225 4.667 4.740 -0.003 -0.154 0.186 147 N C 2.700 178.207 175.510 -0.005 0.000 1.019 147 N CA 2.954 56.003 53.050 -0.003 0.000 0.856 147 N CB 0.045 38.531 38.487 -0.002 0.000 0.993 147 N HN -0.785 7.594 8.380 -0.001 0.000 0.426 148 I N 0.710 121.276 120.570 -0.005 0.000 2.127 148 I HA -0.495 3.667 4.170 -0.014 0.000 0.241 148 I C 1.565 177.676 176.117 -0.011 0.000 1.075 148 I CA 4.412 65.705 61.300 -0.011 0.000 1.334 148 I CB -0.116 37.876 38.000 -0.013 0.000 1.040 148 I HN 0.162 8.370 8.210 -0.002 0.000 0.405 149 L N 0.538 121.756 121.223 -0.009 0.000 1.989 149 L HA -0.523 3.814 4.340 -0.005 0.000 0.211 149 L C 1.513 178.382 176.870 -0.001 0.000 1.071 149 L CA 4.319 59.155 54.840 -0.007 0.000 0.749 149 L CB -0.108 41.944 42.059 -0.011 0.000 0.890 149 L HN -0.014 8.211 8.230 -0.009 0.000 0.431 150 E N -3.012 117.187 120.200 -0.002 0.000 2.108 150 E HA -0.441 3.909 4.350 0.000 0.000 0.203 150 E C 1.631 178.232 176.600 0.001 0.000 1.022 150 E CA 3.084 59.484 56.400 -0.001 0.000 0.823 150 E CB -0.178 29.521 29.700 -0.002 0.000 0.744 150 E HN 0.218 8.466 8.360 -0.004 0.109 0.456 151 E N -3.448 116.752 120.200 -0.001 0.000 2.060 151 E HA -0.059 4.291 4.350 -0.000 0.000 0.189 151 E C 1.603 178.207 176.600 0.007 0.000 0.974 151 E CA 1.525 57.925 56.400 -0.000 0.000 0.808 151 E CB 0.444 30.140 29.700 -0.006 0.000 0.768 151 E HN -0.713 7.645 8.360 -0.003 0.000 0.453 152 S N -2.003 113.702 115.700 0.009 0.000 2.481 152 S HA -0.087 4.404 4.470 0.034 0.000 0.231 152 S C 1.101 175.725 174.600 0.039 0.000 0.996 152 S CA 1.282 59.496 58.200 0.025 0.000 0.942 152 S CB 0.309 63.518 63.200 0.014 0.000 0.768 152 S HN -0.184 8.127 8.310 0.002 0.000 0.520 153 D N 3.745 124.161 120.400 0.027 0.000 2.644 153 D HA -0.010 4.766 4.640 0.032 -0.116 0.252 153 D C 0.621 176.940 176.300 0.032 0.000 1.254 153 D CA -0.802 53.215 54.000 0.027 0.000 0.884 153 D CB -1.429 39.380 40.800 0.015 0.000 1.034 153 D HN -0.252 8.088 8.370 0.017 0.040 0.473 154 I N 1.018 121.617 120.570 0.048 0.000 2.147 154 I HA -0.514 3.675 4.170 0.032 0.000 0.245 154 I C 1.395 177.535 176.117 0.039 0.000 1.059 154 I CA 3.203 64.532 61.300 0.049 0.000 1.320 154 I CB -0.274 37.777 38.000 0.085 0.000 1.021 154 I HN -0.215 7.905 8.210 0.060 0.126 0.415 155 D N -1.161 119.263 120.400 0.041 0.000 2.309 155 D HA -0.205 4.451 4.640 0.026 0.000 0.212 155 D C 1.128 177.438 176.300 0.016 0.000 0.968 155 D CA 1.264 55.279 54.000 0.026 0.000 0.882 155 D CB 0.506 41.319 40.800 0.021 0.000 0.918 155 D HN -0.133 8.597 8.370 0.049 -0.331 0.503 156 R N -5.249 115.260 120.500 0.015 0.000 2.559 156 R HA -0.404 3.941 4.340 0.009 0.000 0.370 156 R C -1.231 175.072 176.300 0.006 0.000 0.313 156 R CA 2.275 58.380 56.100 0.009 0.000 1.423 156 R CB -1.251 29.053 30.300 0.007 0.000 1.802 156 R HN 0.164 8.271 8.270 0.019 0.174 0.241 157 D N -1.663 118.741 120.400 0.006 0.000 2.403 157 D HA -0.097 4.544 4.640 0.002 0.000 0.227 157 D C 1.037 177.338 176.300 0.002 0.000 0.995 157 D CA 0.009 54.011 54.000 0.004 0.000 0.928 157 D CB -1.034 39.768 40.800 0.004 0.000 0.887 157 D HN -0.318 8.184 8.370 0.008 -0.127 0.529 158 G N 0.363 109.165 108.800 0.002 0.000 2.249 158 G HA2 -0.530 3.513 3.960 -0.001 0.000 0.273 158 G HA3 -0.530 3.427 3.960 -0.004 0.000 0.273 158 G C -1.756 173.142 174.900 -0.004 0.000 1.036 158 G CA 0.598 45.697 45.100 -0.001 0.000 0.824 158 G HN -0.205 8.394 8.290 0.005 -0.307 0.504 159 T N -2.014 112.542 114.554 0.002 0.000 3.291 159 T HA 0.229 4.661 4.350 -0.010 -0.087 0.344 159 T C -1.826 172.888 174.700 0.023 0.000 1.293 159 T CA -1.204 60.897 62.100 0.002 0.000 1.108 159 T CB 1.874 70.740 68.868 -0.003 0.000 1.231 159 T HN -0.786 7.596 8.240 0.007 -0.138 0.474 160 I N 7.467 128.057 120.570 0.033 0.000 2.322 160 I HA 0.178 4.548 4.170 0.067 -0.160 0.292 160 I C -0.076 176.146 176.117 0.175 0.000 1.060 160 I CA -2.820 58.529 61.300 0.083 0.000 1.309 160 I CB -1.666 36.382 38.000 0.079 0.000 1.415 160 I HN 0.777 8.893 8.210 0.005 0.097 0.492 161 N N 7.740 126.507 118.700 0.113 0.000 2.381 161 N HA 0.234 5.254 4.740 0.190 -0.166 0.254 161 N C 0.626 176.067 175.510 -0.115 0.000 1.264 161 N CA -1.410 51.673 53.050 0.055 0.000 0.942 161 N CB 1.148 39.610 38.487 -0.041 0.000 1.190 161 N HN 0.442 9.233 8.380 0.059 -0.376 0.495 162 L N -1.524 119.285 121.223 -0.690 0.000 2.079 162 L HA -0.292 3.308 4.340 -1.233 0.000 0.210 162 L C 1.589 178.230 176.870 -0.381 0.000 1.081 162 L CA 3.701 57.948 54.840 -0.987 0.000 0.752 162 L CB -0.060 41.209 42.059 -1.317 0.000 0.896 162 L HN 0.208 8.035 8.230 -0.672 0.000 0.433 163 S N -1.020 114.478 115.700 -0.336 0.000 2.359 163 S HA -0.370 3.873 4.470 -0.378 0.000 0.224 163 S C 2.392 176.605 174.600 -0.646 0.000 1.035 163 S CA 3.333 61.284 58.200 -0.414 0.000 1.018 163 S CB -0.643 62.361 63.200 -0.328 0.000 0.876 163 S HN -0.489 7.711 8.310 -0.325 -0.085 0.448 164 E N 1.734 121.732 120.200 -0.338 0.000 2.072 164 E HA -0.253 4.006 4.350 -0.152 0.000 0.191 164 E C 2.596 179.199 176.600 0.006 0.000 0.985 164 E CA 2.614 58.930 56.400 -0.140 0.000 0.801 164 E CB -0.079 29.625 29.700 0.007 0.000 0.750 164 E HN -0.571 7.950 8.360 -0.217 -0.291 0.452 165 F N 2.080 121.987 119.950 -0.071 0.000 2.043 165 F HA -0.491 4.017 4.527 -0.031 0.000 0.297 165 F C 1.512 177.304 175.800 -0.013 0.000 1.121 165 F CA 3.931 61.926 58.000 -0.008 0.000 1.199 165 F CB 0.285 39.387 39.000 0.171 0.000 0.968 165 F HN 0.201 8.601 8.300 0.166 0.000 0.478 166 Q N -1.856 117.966 119.800 0.038 0.000 2.291 166 Q HA -0.437 3.853 4.340 -0.083 0.000 0.206 166 Q C 2.579 178.586 176.000 0.012 0.000 0.976 166 Q CA 2.753 58.544 55.803 -0.021 0.000 0.875 166 Q CB -0.076 28.696 28.738 0.057 0.000 0.927 166 Q HN 0.030 8.374 8.270 0.123 0.000 0.450 167 H N -0.023 119.028 119.070 -0.030 0.000 2.353 167 H HA -0.276 4.262 4.556 -0.030 0.000 0.300 167 H C 2.767 178.051 175.328 -0.074 0.000 1.090 167 H CA 2.413 58.437 56.048 -0.040 0.000 1.327 167 H CB 0.212 29.960 29.762 -0.024 0.000 1.383 167 H HN -0.289 7.906 8.280 -0.143 0.000 0.508 168 V N -0.846 119.069 119.914 0.002 0.000 2.346 168 V HA -0.383 3.702 4.120 -0.058 0.000 0.244 168 V C 1.194 177.180 176.094 -0.179 0.000 1.037 168 V CA 3.175 65.416 62.300 -0.099 0.000 1.029 168 V CB 0.359 32.104 31.823 -0.131 0.000 0.663 168 V HN -0.600 7.587 8.190 -0.006 0.000 0.454 169 I N -3.748 116.641 120.570 -0.300 0.000 2.731 169 I HA 0.024 3.985 4.170 -0.348 0.000 0.260 169 I C 0.176 176.224 176.117 -0.114 0.000 1.138 169 I CA 0.628 61.713 61.300 -0.359 0.000 1.461 169 I CB 0.679 38.205 38.000 -0.789 0.000 1.128 169 I HN 0.153 8.146 8.210 -0.362 0.000 0.438 170 S N -3.871 111.808 115.700 -0.035 0.000 2.606 170 S HA 0.303 4.946 4.470 0.075 -0.128 0.156 170 S C -0.837 173.801 174.600 0.064 0.000 1.308 170 S CA -0.505 57.734 58.200 0.065 0.000 1.228 170 S CB 0.195 63.484 63.200 0.148 0.000 1.568 170 S HN -0.634 7.523 8.310 -0.072 0.110 0.397 171 R N 2.071 122.602 120.500 0.052 0.000 2.057 171 R HA -0.120 4.273 4.340 0.088 0.000 0.224 171 R C -0.262 176.067 176.300 0.047 0.000 1.136 171 R CA 2.221 58.360 56.100 0.064 0.000 0.968 171 R CB 0.340 30.677 30.300 0.061 0.000 0.863 171 R HN 0.156 8.444 8.270 0.030 0.000 0.433 172 S N 0.329 116.051 115.700 0.036 0.000 2.448 172 S HA 0.325 4.815 4.470 0.034 0.000 0.279 172 S C -1.761 172.871 174.600 0.053 0.000 1.195 172 S CA -2.341 55.880 58.200 0.037 0.000 1.051 172 S CB 0.195 63.411 63.200 0.027 0.000 0.948 172 S HN -0.279 8.051 8.310 0.032 0.000 0.493 173 P HA 0.195 4.678 4.420 0.105 0.000 0.225 173 P C -1.264 176.091 177.300 0.092 0.000 1.813 173 P CA -0.400 62.749 63.100 0.082 0.000 1.013 173 P CB -0.438 31.301 31.700 0.065 0.000 1.961 174 D N 2.737 123.202 120.400 0.108 0.000 2.146 174 D HA -0.126 4.558 4.640 0.072 0.000 0.209 174 D C 1.552 177.945 176.300 0.155 0.000 0.973 174 D CA 3.479 57.542 54.000 0.106 0.000 0.860 174 D CB 0.271 41.124 40.800 0.089 0.000 1.015 174 D HN 0.008 8.350 8.370 0.097 0.086 0.465 175 F N 2.021 122.005 119.950 0.057 0.000 2.091 175 F HA -0.329 4.216 4.527 0.030 0.000 0.299 175 F C 2.011 177.956 175.800 0.242 0.000 1.103 175 F CA 2.923 60.980 58.000 0.095 0.000 1.228 175 F CB 0.029 39.087 39.000 0.097 0.000 0.984 175 F HN 0.012 8.498 8.300 0.310 0.000 0.477 176 A N -2.584 120.446 122.820 0.350 0.000 1.940 176 A HA -0.399 4.117 4.320 0.327 0.000 0.221 176 A C 1.962 179.651 177.584 0.175 0.000 1.190 176 A CA 2.940 55.135 52.037 0.263 0.000 0.647 176 A CB -0.958 18.154 19.000 0.187 0.000 0.821 176 A HN -0.164 8.224 8.150 0.397 0.000 0.457 177 S N -2.152 113.606 115.700 0.096 0.000 2.402 177 S HA -0.234 4.252 4.470 0.026 0.000 0.229 177 S C 0.898 175.509 174.600 0.019 0.000 1.021 177 S CA 2.198 60.423 58.200 0.041 0.000 0.974 177 S CB 0.046 63.257 63.200 0.017 0.000 0.800 177 S HN -0.357 7.988 8.310 0.103 0.026 0.484 178 S N 3.161 118.818 115.700 -0.073 0.000 4.069 178 S HA 0.101 4.498 4.470 -0.122 0.000 0.192 178 S C -1.038 173.313 174.600 -0.415 0.000 1.441 178 S CA -0.072 57.993 58.200 -0.225 0.000 0.994 178 S CB -1.414 61.614 63.200 -0.287 0.000 1.456 178 S HN -0.534 7.628 8.310 -0.075 0.104 0.458 179 F N 2.017 121.911 119.950 -0.093 0.000 2.566 179 F HA 0.165 4.731 4.527 0.065 0.000 0.352 179 F C -1.792 174.072 175.800 0.106 0.000 1.534 179 F CA -0.778 57.219 58.000 -0.005 0.000 1.097 179 F CB 2.232 41.142 39.000 -0.150 0.000 1.488 179 F HN -0.443 7.837 8.300 0.101 0.081 0.562 180 K N -0.609 119.896 120.400 0.175 0.000 2.130 180 K HA 0.692 5.288 4.320 0.144 -0.190 0.268 180 K C -0.723 175.950 176.600 0.121 0.000 0.983 180 K CA -1.540 54.825 56.287 0.129 0.000 0.893 180 K CB 0.977 33.503 32.500 0.044 0.000 1.066 180 K HN -0.542 7.755 8.250 0.079 0.000 0.450 181 I N 2.945 123.574 120.570 0.098 0.000 2.664 181 I HA 0.131 4.296 4.170 -0.008 0.000 0.308 181 I C -0.509 175.617 176.117 0.015 0.000 0.984 181 I CA -1.424 59.890 61.300 0.024 0.000 1.213 181 I CB 2.326 40.323 38.000 -0.004 0.000 1.379 181 I HN 0.176 8.458 8.210 0.121 0.000 0.501 182 V N 6.250 126.166 119.914 0.003 0.000 2.348 182 V HA 0.082 4.211 4.120 0.015 0.000 0.270 182 V C -0.574 175.530 176.094 0.017 0.000 1.037 182 V CA 0.265 62.571 62.300 0.011 0.000 0.872 182 V CB 0.217 32.046 31.823 0.009 0.000 1.002 182 V HN 0.105 8.288 8.190 -0.012 0.000 0.464 183 L N 0.000 121.239 121.223 0.026 0.000 2.949 183 L HA 0.000 4.368 4.340 0.046 0.000 0.249 183 L CA 0.000 54.864 54.840 0.040 0.000 0.813 183 L CB 0.000 42.085 42.059 0.043 0.000 0.961 183 L HN 0.000 8.245 8.230 0.025 0.000 0.502