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 2kr9_1_A DATA FIRST_RESID 1 DATA SEQUENCE GPLGSPEFPG RKKEFIMAEL LQTEKAYVRD LHECLETYLW EMTSGVEEIP DATA SEQUENCE PGILNKEHII FGNIQEIYDF HNNIFLKELE KYEQLPEDVG HCFVTWADKF DATA SEQUENCE QMYVTYCKNK PDSNQLILEH AGTFFDEIQQ RHGLANSISS YLIKPVQRVT DATA SEQUENCE KYQLLLKELL TCCEEGKGEL KDGLEVMLSV PKKANDAMHV 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.945 3.960 -0.025 0.000 0.244 1 G C 0.000 174.872 174.900 -0.047 0.000 0.946 1 G CA 0.000 45.081 45.100 -0.031 0.000 0.502 2 P HA 0.272 4.647 4.420 -0.075 0.000 0.237 2 P C -1.383 175.887 177.300 -0.051 0.000 1.723 2 P CA 0.049 63.116 63.100 -0.055 0.000 0.882 2 P CB -1.020 30.656 31.700 -0.041 0.000 1.810 3 L N -0.153 121.039 121.223 -0.052 0.000 2.293 3 L HA 0.420 4.740 4.340 -0.033 0.000 0.264 3 L C -0.195 176.647 176.870 -0.047 0.000 1.029 3 L CA -0.525 54.292 54.840 -0.038 0.000 0.897 3 L CB 2.325 44.370 42.059 -0.024 0.000 1.497 3 L HN -0.214 7.869 8.230 -0.056 0.113 0.495 4 G N -1.677 107.110 108.800 -0.022 0.000 5.084 4 G HA2 0.058 4.010 3.960 -0.014 0.000 0.241 4 G HA3 0.058 4.019 3.960 0.001 0.000 0.241 4 G C -0.652 174.259 174.900 0.019 0.000 0.918 4 G CA 0.191 45.288 45.100 -0.004 0.000 0.754 4 G HN 0.034 8.316 8.290 -0.013 0.000 0.478 5 S N 0.815 116.522 115.700 0.012 0.000 2.404 5 S HA 0.140 4.618 4.470 0.014 0.000 0.223 5 S C -0.629 173.984 174.600 0.022 0.000 1.040 5 S CA 1.472 59.681 58.200 0.014 0.000 0.957 5 S CB -0.656 62.548 63.200 0.006 0.000 0.826 5 S HN -0.250 8.061 8.310 0.003 0.000 0.491 6 P HA 0.007 4.442 4.420 0.025 0.000 0.250 6 P C -1.721 175.610 177.300 0.052 0.000 1.239 6 P CA -0.018 63.105 63.100 0.038 0.000 0.756 6 P CB -0.184 31.543 31.700 0.045 0.000 1.013 7 E N -4.774 115.462 120.200 0.060 0.000 7.548 7 E HA -0.384 4.001 4.350 0.059 0.000 0.443 7 E C -1.210 175.467 176.600 0.129 0.000 0.387 7 E CA 0.955 57.390 56.400 0.059 0.000 0.714 7 E CB -0.543 29.157 29.700 0.000 0.000 0.961 7 E HN -0.486 7.776 8.360 0.053 0.130 0.264 8 F N 5.271 125.193 119.950 -0.046 0.000 2.931 8 F HA 0.402 4.899 4.527 -0.050 0.000 0.375 8 F C -1.727 174.044 175.800 -0.048 0.000 1.243 8 F CA -2.266 55.710 58.000 -0.040 0.000 1.206 8 F CB 1.211 40.206 39.000 -0.009 0.000 1.643 8 F HN 0.131 8.521 8.300 0.149 0.000 0.593 9 P HA 0.221 4.560 4.420 -0.134 0.000 0.237 9 P C -1.107 176.022 177.300 -0.284 0.000 1.723 9 P CA -0.589 62.327 63.100 -0.307 0.000 0.882 9 P CB -1.972 29.434 31.700 -0.489 0.000 1.810 10 G N -0.390 108.188 108.800 -0.370 0.000 2.860 10 G HA2 -0.364 3.569 3.960 -0.046 0.000 0.553 10 G HA3 -0.364 3.634 3.960 0.063 0.000 0.553 10 G C -1.613 173.198 174.900 -0.148 0.000 1.439 10 G CA -0.424 44.583 45.100 -0.155 0.000 0.879 10 G HN -0.490 7.377 8.290 -0.513 0.116 0.545 11 R N 0.820 121.334 120.500 0.023 0.000 2.388 11 R HA 0.271 4.663 4.340 0.087 0.000 0.314 11 R C -1.349 174.957 176.300 0.008 0.000 0.959 11 R CA -0.815 55.315 56.100 0.050 0.000 0.851 11 R CB 0.641 30.988 30.300 0.077 0.000 1.168 11 R HN 0.348 8.664 8.270 0.077 0.000 0.472 12 K N 4.264 124.588 120.400 -0.127 0.000 4.975 12 K HA -0.153 4.061 4.320 -0.178 0.000 0.637 12 K C -1.325 174.878 176.600 -0.663 0.000 1.033 12 K CA 0.032 56.164 56.287 -0.259 0.000 0.951 12 K CB 0.937 33.348 32.500 -0.148 0.000 1.642 12 K HN -0.023 8.164 8.250 -0.105 0.000 0.762 13 K N -0.316 119.796 120.400 -0.481 0.000 2.059 13 K HA -0.287 3.650 4.320 -0.640 0.000 0.212 13 K C 0.655 176.849 176.600 -0.677 0.000 1.050 13 K CA 2.518 58.477 56.287 -0.546 0.000 0.927 13 K CB -0.089 32.258 32.500 -0.254 0.000 0.714 13 K HN 0.007 8.082 8.250 -0.291 0.000 0.447 14 E N -0.223 119.733 120.200 -0.405 0.000 2.127 14 E HA 0.138 4.373 4.350 -0.191 0.000 0.262 14 E C 0.219 176.729 176.600 -0.151 0.000 1.144 14 E CA -1.601 54.666 56.400 -0.223 0.000 1.144 14 E CB -2.333 27.316 29.700 -0.085 0.000 1.297 14 E HN 0.126 8.301 8.360 -0.309 0.000 0.469 15 F N 1.135 121.074 119.950 -0.018 0.000 2.067 15 F HA -0.493 4.000 4.527 -0.058 0.000 0.295 15 F C 2.052 177.848 175.800 -0.007 0.000 1.142 15 F CA 3.955 61.934 58.000 -0.034 0.000 1.230 15 F CB -0.319 38.651 39.000 -0.051 0.000 0.941 15 F HN -0.475 7.278 8.300 -0.802 0.066 0.518 16 I N -4.739 115.984 120.570 0.255 0.000 3.939 16 I HA -0.153 4.103 4.170 0.143 0.000 0.313 16 I C 1.005 177.197 176.117 0.125 0.000 1.274 16 I CA 0.753 62.148 61.300 0.159 0.000 1.301 16 I CB 0.171 38.247 38.000 0.127 0.000 1.105 16 I HN -0.403 7.988 8.210 0.301 0.000 0.427 17 M N 1.682 121.350 119.600 0.114 0.000 2.267 17 M HA -0.354 4.186 4.480 0.100 0.000 0.263 17 M C 0.938 177.289 176.300 0.085 0.000 1.063 17 M CA 2.308 57.663 55.300 0.092 0.000 1.090 17 M CB -0.880 31.762 32.600 0.071 0.000 1.392 17 M HN -0.038 8.326 8.290 0.125 0.000 0.422 18 A N -2.348 120.517 122.820 0.076 0.000 1.970 18 A HA -0.191 4.167 4.320 0.063 0.000 0.216 18 A C 1.762 179.401 177.584 0.093 0.000 1.170 18 A CA 3.128 55.207 52.037 0.070 0.000 0.645 18 A CB -1.158 17.870 19.000 0.048 0.000 0.816 18 A HN -0.238 7.932 8.150 0.079 0.027 0.447 19 E N -1.670 118.594 120.200 0.106 0.000 2.204 19 E HA -0.261 4.158 4.350 0.116 0.000 0.195 19 E C 1.763 178.439 176.600 0.126 0.000 0.990 19 E CA 2.708 59.177 56.400 0.116 0.000 0.821 19 E CB -0.143 29.627 29.700 0.117 0.000 0.750 19 E HN -0.295 8.037 8.360 0.109 0.094 0.477 20 L N -1.502 119.795 121.223 0.124 0.000 2.221 20 L HA 0.087 4.517 4.340 0.149 0.000 0.202 20 L C 1.350 178.309 176.870 0.148 0.000 1.074 20 L CA 1.897 56.818 54.840 0.135 0.000 0.795 20 L CB 0.365 42.497 42.059 0.122 0.000 0.960 20 L HN -0.951 7.191 8.230 0.115 0.157 0.458 21 L N -1.161 120.137 121.223 0.124 0.000 2.081 21 L HA -0.462 3.954 4.340 0.126 0.000 0.212 21 L C 2.852 179.799 176.870 0.128 0.000 1.080 21 L CA 3.291 58.201 54.840 0.117 0.000 0.754 21 L CB -0.754 41.355 42.059 0.082 0.000 0.893 21 L HN 0.270 8.566 8.230 0.110 0.000 0.433 22 Q N -2.963 116.910 119.800 0.123 0.000 2.187 22 Q HA -0.242 4.165 4.340 0.112 0.000 0.199 22 Q C 1.957 178.049 176.000 0.155 0.000 0.957 22 Q CA 3.618 59.495 55.803 0.123 0.000 0.857 22 Q CB 0.027 28.831 28.738 0.108 0.000 0.929 22 Q HN 0.228 8.450 8.270 0.117 0.117 0.453 23 T N -2.434 112.227 114.554 0.179 0.000 2.942 23 T HA -0.241 4.230 4.350 0.201 0.000 0.265 23 T C 2.154 177.024 174.700 0.284 0.000 1.062 23 T CA 3.485 65.713 62.100 0.214 0.000 1.139 23 T CB -0.706 68.289 68.868 0.212 0.000 0.883 23 T HN -0.790 7.454 8.240 0.170 0.098 0.468 24 E N 2.544 122.929 120.200 0.308 0.000 2.045 24 E HA -0.465 4.171 4.350 0.476 0.000 0.212 24 E C 2.086 178.855 176.600 0.281 0.000 1.039 24 E CA 3.224 59.839 56.400 0.357 0.000 0.860 24 E CB -0.794 29.100 29.700 0.323 0.000 0.776 24 E HN -0.176 8.357 8.360 0.289 0.000 0.467 25 K N -0.992 119.529 120.400 0.201 0.000 2.026 25 K HA -0.293 4.112 4.320 0.143 0.000 0.208 25 K C 2.623 179.311 176.600 0.147 0.000 1.048 25 K CA 3.018 59.394 56.287 0.148 0.000 0.929 25 K CB -0.265 32.298 32.500 0.106 0.000 0.713 25 K HN -0.776 7.585 8.250 0.185 0.000 0.439 26 A N -0.942 121.978 122.820 0.166 0.000 1.948 26 A HA -0.251 4.159 4.320 0.150 0.000 0.220 26 A C 2.143 179.865 177.584 0.229 0.000 1.177 26 A CA 2.932 55.076 52.037 0.180 0.000 0.636 26 A CB -0.764 18.345 19.000 0.181 0.000 0.815 26 A HN 0.412 8.659 8.150 0.162 0.000 0.449 27 Y N -0.194 120.158 120.300 0.087 0.000 2.231 27 Y HA 0.225 5.110 4.550 0.029 -0.318 0.294 27 Y C 2.439 178.338 175.900 -0.000 0.000 1.120 27 Y CA 1.357 59.474 58.100 0.029 0.000 1.141 27 Y CB 1.122 39.580 38.460 -0.004 0.000 1.022 27 Y HN -0.246 8.002 8.280 0.336 0.233 0.523 28 V N -2.249 117.707 119.914 0.071 0.000 2.626 28 V HA -0.410 3.692 4.120 -0.029 0.000 0.252 28 V C 1.339 177.452 176.094 0.031 0.000 1.067 28 V CA 3.829 66.163 62.300 0.057 0.000 1.081 28 V CB -0.271 31.664 31.823 0.187 0.000 0.686 28 V HN 0.598 8.805 8.190 0.203 0.106 0.468 29 R N 0.057 120.571 120.500 0.023 0.000 2.075 29 R HA -0.205 4.109 4.340 -0.043 0.000 0.226 29 R C 1.203 177.475 176.300 -0.046 0.000 1.114 29 R CA 2.404 58.499 56.100 -0.008 0.000 0.972 29 R CB -0.354 29.957 30.300 0.020 0.000 0.869 29 R HN -0.051 8.241 8.270 0.068 0.019 0.437 30 D N -1.594 118.779 120.400 -0.044 0.000 2.312 30 D HA -0.135 4.360 4.640 -0.242 0.000 0.211 30 D C 1.476 177.552 176.300 -0.373 0.000 0.964 30 D CA 2.885 56.798 54.000 -0.145 0.000 0.877 30 D CB -0.005 40.878 40.800 0.139 0.000 0.924 30 D HN -0.285 8.099 8.370 0.023 0.000 0.515 31 L N -0.426 120.596 121.223 -0.334 0.000 2.127 31 L HA -0.116 3.964 4.340 -0.433 0.000 0.203 31 L C 1.222 177.826 176.870 -0.443 0.000 1.080 31 L CA 1.835 56.437 54.840 -0.397 0.000 0.768 31 L CB -0.969 40.876 42.059 -0.357 0.000 0.924 31 L HN -0.270 7.683 8.230 -0.261 0.121 0.444 32 H N 1.046 119.768 119.070 -0.581 0.000 2.289 32 H HA -0.539 3.357 4.556 -1.100 0.000 0.294 32 H C 2.271 177.277 175.328 -0.536 0.000 1.095 32 H CA 4.828 60.435 56.048 -0.735 0.000 1.256 32 H CB 0.383 29.805 29.762 -0.568 0.000 1.359 32 H HN -0.279 7.842 8.280 -0.264 0.000 0.487 33 E N -2.215 117.675 120.200 -0.518 0.000 2.347 33 E HA -0.127 3.789 4.350 -0.724 0.000 0.196 33 E C 1.837 178.066 176.600 -0.618 0.000 1.008 33 E CA 2.412 58.470 56.400 -0.570 0.000 0.852 33 E CB -0.614 28.884 29.700 -0.335 0.000 0.783 33 E HN -0.069 8.101 8.360 -0.317 0.000 0.505 34 C N 0.659 119.574 119.300 -0.642 0.000 2.543 34 C HA -0.078 4.118 4.460 -0.441 0.000 0.281 34 C C 1.913 176.607 174.990 -0.493 0.000 1.276 34 C CA 2.838 61.501 59.018 -0.592 0.000 1.700 34 C CB 0.013 27.287 27.740 -0.776 0.000 2.093 34 C HN -0.828 6.874 8.230 -0.634 0.148 0.488 35 L N -1.159 119.791 121.223 -0.454 0.000 2.043 35 L HA -0.513 3.702 4.340 -0.209 0.000 0.212 35 L C 2.566 179.299 176.870 -0.227 0.000 1.075 35 L CA 3.077 57.746 54.840 -0.285 0.000 0.752 35 L CB -0.735 41.177 42.059 -0.245 0.000 0.891 35 L HN -0.263 7.676 8.230 -0.486 0.000 0.432 36 E N -3.529 116.423 120.200 -0.413 0.000 2.358 36 E HA -0.106 4.040 4.350 -0.340 0.000 0.195 36 E C 0.803 177.132 176.600 -0.452 0.000 1.010 36 E CA 2.509 58.632 56.400 -0.461 0.000 0.856 36 E CB -0.050 29.243 29.700 -0.678 0.000 0.795 36 E HN -0.417 7.593 8.360 -0.546 0.022 0.504 37 T N -2.110 112.185 114.554 -0.431 0.000 3.587 37 T HA 0.097 4.140 4.350 -0.511 0.000 0.221 37 T C 1.146 175.813 174.700 -0.054 0.000 0.921 37 T CA 2.001 63.820 62.100 -0.468 0.000 1.426 37 T CB 0.483 68.788 68.868 -0.939 0.000 1.340 37 T HN -0.309 7.497 8.240 -0.463 0.157 0.423 38 Y N 0.902 121.272 120.300 0.117 0.000 2.314 38 Y HA -0.090 4.722 4.550 0.438 0.000 0.293 38 Y C 2.271 178.361 175.900 0.317 0.000 1.129 38 Y CA 3.143 61.432 58.100 0.316 0.000 1.201 38 Y CB -0.496 38.160 38.460 0.327 0.000 0.999 38 Y HN -0.642 7.257 8.280 -0.636 0.000 0.541 39 L N -1.838 119.553 121.223 0.280 0.000 2.102 39 L HA -0.176 4.340 4.340 0.293 0.000 0.202 39 L C 1.856 178.844 176.870 0.197 0.000 1.076 39 L CA 1.892 56.862 54.840 0.217 0.000 0.761 39 L CB -0.492 41.610 42.059 0.071 0.000 0.921 39 L HN -0.713 7.569 8.230 0.127 0.024 0.444 40 W N 1.948 123.244 121.300 -0.007 0.000 2.302 40 W HA -0.417 4.242 4.660 -0.002 0.000 0.320 40 W C 2.135 178.690 176.519 0.060 0.000 1.241 40 W CA 4.020 61.360 57.345 -0.009 0.000 1.264 40 W CB -0.330 29.078 29.460 -0.087 0.000 1.154 40 W HN 0.403 8.739 8.180 0.260 0.000 0.483 41 E N -1.419 118.612 120.200 -0.281 0.000 2.347 41 E HA -0.192 3.318 4.350 -1.399 0.000 0.196 41 E C 1.591 178.078 176.600 -0.189 0.000 1.008 41 E CA 2.171 58.195 56.400 -0.627 0.000 0.852 41 E CB -0.151 29.397 29.700 -0.254 0.000 0.783 41 E HN -0.313 8.167 8.360 0.200 0.000 0.505 42 M N -3.948 115.667 119.600 0.025 0.000 2.435 42 M HA 0.057 4.532 4.480 -0.009 0.000 0.265 42 M C 1.319 177.604 176.300 -0.026 0.000 1.104 42 M CA 2.448 57.776 55.300 0.045 0.000 1.140 42 M CB 0.663 33.373 32.600 0.183 0.000 1.372 42 M HN -0.637 7.571 8.290 0.101 0.142 0.456 43 T N -5.566 108.966 114.554 -0.036 0.000 3.057 43 T HA 0.031 4.373 4.350 -0.014 0.000 0.254 43 T C 1.196 175.842 174.700 -0.091 0.000 1.094 43 T CA 1.627 63.707 62.100 -0.033 0.000 1.088 43 T CB 0.430 69.308 68.868 0.017 0.000 0.934 43 T HN -0.406 7.818 8.240 -0.028 0.000 0.497 44 S N 0.733 116.308 115.700 -0.209 0.000 2.556 44 S HA 0.072 4.465 4.470 -0.129 0.000 0.216 44 S C 0.893 175.375 174.600 -0.196 0.000 0.970 44 S CA 0.445 58.505 58.200 -0.232 0.000 0.912 44 S CB 0.663 63.599 63.200 -0.440 0.000 0.790 44 S HN -0.515 7.587 8.310 -0.283 0.038 0.504 45 G N 2.431 111.128 108.800 -0.172 0.000 2.395 45 G HA2 -0.269 3.613 3.960 -0.129 0.000 0.300 45 G HA3 -0.269 3.632 3.960 -0.099 0.000 0.300 45 G C 0.257 175.084 174.900 -0.122 0.000 0.998 45 G CA 1.328 46.350 45.100 -0.129 0.000 1.046 45 G HN -0.285 7.855 8.290 -0.175 0.045 0.513 46 V N -7.987 111.835 119.914 -0.154 0.000 3.635 46 V HA 0.166 4.241 4.120 -0.074 0.000 0.266 46 V C 0.140 176.202 176.094 -0.055 0.000 1.316 46 V CA 0.053 62.288 62.300 -0.109 0.000 1.060 46 V CB 1.129 32.861 31.823 -0.152 0.000 0.820 46 V HN -0.669 7.402 8.190 -0.199 0.000 0.447 47 E N 0.573 120.746 120.200 -0.044 0.000 2.281 47 E HA 0.268 4.635 4.350 0.027 0.000 0.262 47 E C -1.317 175.215 176.600 -0.114 0.000 0.933 47 E CA -1.825 54.587 56.400 0.019 0.000 0.809 47 E CB 2.668 32.550 29.700 0.303 0.000 1.242 47 E HN -0.271 8.039 8.360 -0.084 0.000 0.418 48 E N -0.258 119.871 120.200 -0.119 0.000 2.104 48 E HA 0.104 4.346 4.350 -0.180 0.000 0.278 48 E C -0.651 175.705 176.600 -0.406 0.000 1.127 48 E CA 0.217 56.500 56.400 -0.194 0.000 0.897 48 E CB -0.449 29.184 29.700 -0.112 0.000 1.043 48 E HN 0.240 8.579 8.360 -0.035 0.000 0.410 49 I N 6.227 126.531 120.570 -0.444 0.000 2.331 49 I HA 0.243 3.853 4.170 -0.933 0.000 0.292 49 I C -1.797 174.123 176.117 -0.329 0.000 0.998 49 I CA -3.094 57.860 61.300 -0.577 0.000 1.267 49 I CB 0.479 38.195 38.000 -0.474 0.000 1.386 49 I HN -0.155 7.867 8.210 -0.313 0.000 0.476 50 P HA 0.099 4.433 4.420 -0.142 0.000 0.265 50 P C -1.086 176.129 177.300 -0.143 0.000 1.187 50 P CA -0.916 62.085 63.100 -0.165 0.000 0.766 50 P CB 0.027 31.663 31.700 -0.106 0.000 0.820 51 P HA -0.186 4.167 4.420 -0.111 0.000 0.227 51 P C 0.191 177.408 177.300 -0.138 0.000 1.145 51 P CA 1.403 64.427 63.100 -0.127 0.000 0.769 51 P CB 0.078 31.701 31.700 -0.128 0.000 0.769 52 G N -3.559 105.154 108.800 -0.146 0.000 2.656 52 G HA2 0.080 3.944 3.960 -0.159 0.000 0.211 52 G HA3 0.080 3.952 3.960 -0.147 0.000 0.211 52 G C 0.419 175.290 174.900 -0.049 0.000 1.137 52 G CA 0.108 45.130 45.100 -0.130 0.000 0.802 52 G HN 0.019 8.123 8.290 -0.130 0.109 0.527 53 I N -3.530 117.016 120.570 -0.039 0.000 4.288 53 I HA 0.262 4.424 4.170 -0.013 0.000 0.331 53 I C 1.061 177.166 176.117 -0.020 0.000 1.322 53 I CA 0.340 61.635 61.300 -0.010 0.000 1.149 53 I CB 1.670 39.701 38.000 0.053 0.000 1.112 53 I HN -0.434 7.736 8.210 -0.065 0.000 0.403 54 L N 0.656 121.842 121.223 -0.062 0.000 1.997 54 L HA -0.364 3.929 4.340 -0.078 0.000 0.216 54 L C 1.105 177.972 176.870 -0.006 0.000 1.074 54 L CA 3.566 58.370 54.840 -0.060 0.000 0.763 54 L CB -1.431 40.578 42.059 -0.084 0.000 0.890 54 L HN -0.653 7.525 8.230 -0.087 0.000 0.434 55 N N -4.478 114.227 118.700 0.008 0.000 2.279 55 N HA 0.046 4.987 4.740 0.079 -0.154 0.226 55 N C -0.692 174.881 175.510 0.105 0.000 1.126 55 N CA 0.021 53.111 53.050 0.066 0.000 0.846 55 N CB -0.144 38.378 38.487 0.058 0.000 1.050 55 N HN 0.025 8.398 8.380 -0.012 0.000 0.502 56 K N -0.838 119.567 120.400 0.009 0.000 2.537 56 K HA 0.276 4.351 4.320 -0.407 0.000 0.206 56 K C 0.132 176.684 176.600 -0.081 0.000 1.041 56 K CA -1.970 54.229 56.287 -0.146 0.000 1.090 56 K CB -0.167 32.258 32.500 -0.125 0.000 0.833 56 K HN -0.192 7.825 8.250 0.014 0.242 0.493 57 E N 0.732 120.974 120.200 0.070 0.000 2.130 57 E HA -0.483 3.970 4.350 0.171 0.000 0.196 57 E C 0.555 177.236 176.600 0.134 0.000 0.998 57 E CA 4.088 60.575 56.400 0.143 0.000 0.806 57 E CB -1.065 28.738 29.700 0.173 0.000 0.738 57 E HN -0.239 8.116 8.360 0.100 0.065 0.459 58 H N -4.958 114.140 119.070 0.045 0.000 2.556 58 H HA 0.138 4.882 4.556 0.034 -0.169 0.268 58 H C 0.390 175.703 175.328 -0.025 0.000 0.996 58 H CA 0.488 56.545 56.048 0.017 0.000 1.157 58 H CB -0.634 29.129 29.762 0.002 0.000 1.355 58 H HN 0.078 8.489 8.280 0.251 0.020 0.597 59 I N 0.892 121.273 120.570 -0.314 0.000 2.899 59 I HA -0.170 3.852 4.170 -0.248 0.000 0.257 59 I C 1.179 177.180 176.117 -0.194 0.000 1.115 59 I CA 1.454 62.590 61.300 -0.274 0.000 1.451 59 I CB 0.903 38.722 38.000 -0.302 0.000 1.251 59 I HN -0.247 7.567 8.210 -0.288 0.222 0.456 60 I N 0.199 120.684 120.570 -0.141 0.000 2.145 60 I HA -0.420 3.596 4.170 -0.256 0.000 0.244 60 I C 2.240 178.151 176.117 -0.343 0.000 1.075 60 I CA 2.725 63.908 61.300 -0.194 0.000 1.332 60 I CB -0.666 37.307 38.000 -0.044 0.000 1.033 60 I HN 0.261 8.405 8.210 -0.110 0.000 0.410 61 F N -4.355 115.542 119.950 -0.088 0.000 2.724 61 F HA 0.199 4.675 4.527 -0.085 0.000 0.310 61 F C -0.219 175.502 175.800 -0.132 0.000 1.107 61 F CA -1.180 56.775 58.000 -0.075 0.000 1.218 61 F CB 1.443 40.440 39.000 -0.004 0.000 1.042 61 F HN -0.316 8.055 8.300 0.118 0.000 0.540 62 G N 1.161 109.919 108.800 -0.070 0.000 2.591 62 G HA2 -0.568 3.502 3.960 -0.153 0.000 0.298 62 G HA3 -0.568 3.105 3.960 -0.479 0.000 0.298 62 G C -0.865 174.035 174.900 -0.000 0.000 1.195 62 G CA 1.349 46.342 45.100 -0.178 0.000 0.989 62 G HN -0.340 7.782 8.290 -0.082 0.119 0.551 63 N N 2.003 120.708 118.700 0.007 0.000 2.535 63 N HA 0.223 5.005 4.740 0.071 0.000 0.294 63 N C 0.743 176.332 175.510 0.133 0.000 1.408 63 N CA -1.650 51.444 53.050 0.074 0.000 0.927 63 N CB -0.538 37.968 38.487 0.032 0.000 1.276 63 N HN -0.019 8.308 8.380 -0.088 0.000 0.505 64 I N 2.192 122.880 120.570 0.197 0.000 2.614 64 I HA -0.420 3.868 4.170 0.197 0.000 0.258 64 I C 0.087 176.229 176.117 0.042 0.000 1.189 64 I CA 2.080 63.480 61.300 0.166 0.000 1.462 64 I CB 0.042 38.144 38.000 0.169 0.000 1.092 64 I HN -0.778 7.487 8.210 0.200 0.065 0.442 65 Q N -0.819 119.015 119.800 0.055 0.000 2.124 65 Q HA -0.390 3.995 4.340 0.076 0.000 0.202 65 Q C 1.972 178.037 176.000 0.108 0.000 0.977 65 Q CA 3.620 59.470 55.803 0.077 0.000 0.850 65 Q CB -0.764 28.020 28.738 0.076 0.000 0.901 65 Q HN 0.435 8.706 8.270 0.071 0.042 0.429 66 E N -2.186 118.046 120.200 0.054 0.000 2.358 66 E HA -0.156 4.292 4.350 0.164 0.000 0.195 66 E C 2.347 178.950 176.600 0.005 0.000 1.010 66 E CA 2.076 58.489 56.400 0.021 0.000 0.856 66 E CB -0.143 29.465 29.700 -0.154 0.000 0.795 66 E HN -0.654 7.705 8.360 0.032 0.020 0.504 67 I N -0.222 120.333 120.570 -0.025 0.000 2.235 67 I HA -0.325 3.819 4.170 -0.043 0.000 0.241 67 I C 1.499 177.629 176.117 0.022 0.000 1.085 67 I CA 1.576 62.836 61.300 -0.066 0.000 1.378 67 I CB -0.851 37.006 38.000 -0.238 0.000 1.076 67 I HN -0.478 7.542 8.210 -0.014 0.182 0.415 68 Y N 1.293 121.522 120.300 -0.118 0.000 2.014 68 Y HA -0.597 3.849 4.550 -0.173 0.000 0.272 68 Y C 0.947 176.871 175.900 0.039 0.000 1.164 68 Y CA 3.576 61.623 58.100 -0.088 0.000 1.114 68 Y CB -0.663 37.740 38.460 -0.094 0.000 0.961 68 Y HN -0.607 7.716 8.280 0.072 0.000 0.489 69 D N -1.486 118.668 120.400 -0.411 0.000 2.123 69 D HA -0.343 3.803 4.640 -1.148 -0.195 0.196 69 D C 2.203 178.304 176.300 -0.331 0.000 0.992 69 D CA 3.327 56.978 54.000 -0.581 0.000 0.833 69 D CB -0.059 40.585 40.800 -0.259 0.000 0.954 69 D HN -0.591 7.749 8.370 -0.051 0.000 0.455 70 F N -2.608 117.218 119.950 -0.206 0.000 2.325 70 F HA -0.213 4.193 4.527 -0.201 0.000 0.299 70 F C 2.250 177.975 175.800 -0.126 0.000 1.090 70 F CA 3.662 61.556 58.000 -0.176 0.000 1.392 70 F CB 0.030 38.921 39.000 -0.182 0.000 1.053 70 F HN -0.865 7.643 8.300 0.366 0.012 0.521 71 H N -0.588 118.489 119.070 0.012 0.000 2.355 71 H HA -0.188 4.518 4.556 0.142 -0.065 0.303 71 H C 2.632 177.975 175.328 0.024 0.000 1.061 71 H CA 3.977 60.067 56.048 0.071 0.000 1.368 71 H CB 0.621 30.453 29.762 0.117 0.000 1.412 71 H HN -0.105 8.253 8.280 0.279 0.090 0.523 72 N N -1.001 117.733 118.700 0.056 0.000 2.289 72 N HA -0.289 4.500 4.740 0.082 0.000 0.184 72 N C 0.832 176.301 175.510 -0.068 0.000 1.016 72 N CA 3.275 56.320 53.050 -0.008 0.000 0.872 72 N CB -0.237 38.195 38.487 -0.091 0.000 0.973 72 N HN 0.335 8.707 8.380 -0.014 0.000 0.433 73 N N -1.587 117.030 118.700 -0.139 0.000 2.282 73 N HA 0.055 4.733 4.740 -0.104 0.000 0.185 73 N C -0.477 174.969 175.510 -0.107 0.000 1.099 73 N CA 1.543 54.508 53.050 -0.143 0.000 0.878 73 N CB 1.613 39.971 38.487 -0.214 0.000 0.993 73 N HN -0.352 7.897 8.380 -0.180 0.024 0.481 74 I N -2.830 117.688 120.570 -0.086 0.000 4.061 74 I HA -0.059 4.091 4.170 -0.034 0.000 0.254 74 I C 0.353 176.465 176.117 -0.008 0.000 1.038 74 I CA 0.281 61.540 61.300 -0.068 0.000 1.945 74 I CB 0.356 38.241 38.000 -0.193 0.000 1.592 74 I HN -1.006 7.043 8.210 -0.070 0.119 0.449 75 F N 0.766 120.606 119.950 -0.183 0.000 2.065 75 F HA -0.433 4.077 4.527 -0.028 0.000 0.298 75 F C 2.060 177.867 175.800 0.011 0.000 1.112 75 F CA 4.718 62.645 58.000 -0.122 0.000 1.212 75 F CB 0.411 39.179 39.000 -0.387 0.000 0.975 75 F HN -0.728 7.573 8.300 0.002 0.000 0.476 76 L N -1.277 120.106 121.223 0.267 0.000 1.956 76 L HA -0.528 3.984 4.340 0.242 -0.027 0.216 76 L C 1.444 178.344 176.870 0.049 0.000 1.073 76 L CA 3.738 58.691 54.840 0.188 0.000 0.762 76 L CB -0.160 42.005 42.059 0.178 0.000 0.889 76 L HN -0.349 8.074 8.230 0.310 -0.006 0.433 77 K N -3.309 117.096 120.400 0.010 0.000 2.555 77 K HA -0.278 4.016 4.320 -0.043 0.000 0.193 77 K C 1.571 178.103 176.600 -0.113 0.000 1.032 77 K CA 2.700 58.960 56.287 -0.045 0.000 1.004 77 K CB -0.472 32.006 32.500 -0.037 0.000 0.804 77 K HN 0.019 8.286 8.250 0.029 0.000 0.496 78 E N -0.702 119.413 120.200 -0.141 0.000 2.216 78 E HA -0.054 4.139 4.350 -0.261 0.000 0.192 78 E C 1.486 177.770 176.600 -0.527 0.000 0.973 78 E CA 1.263 57.503 56.400 -0.267 0.000 0.851 78 E CB 0.139 29.746 29.700 -0.155 0.000 0.804 78 E HN -0.360 7.759 8.360 -0.086 0.190 0.477 79 L N 0.488 121.526 121.223 -0.307 0.000 2.095 79 L HA -0.212 4.026 4.340 -0.169 0.000 0.204 79 L C 1.617 178.371 176.870 -0.194 0.000 1.080 79 L CA 2.918 57.634 54.840 -0.207 0.000 0.759 79 L CB 0.343 42.408 42.059 0.009 0.000 0.914 79 L HN -0.196 7.825 8.230 -0.170 0.107 0.439 80 E N -1.927 118.188 120.200 -0.140 0.000 2.401 80 E HA -0.265 4.064 4.350 -0.035 0.000 0.199 80 E C 2.257 178.772 176.600 -0.142 0.000 1.023 80 E CA 2.282 58.628 56.400 -0.089 0.000 0.859 80 E CB -1.028 28.640 29.700 -0.054 0.000 0.780 80 E HN -0.190 8.102 8.360 -0.114 0.000 0.523 81 K N -2.681 117.530 120.400 -0.315 0.000 2.487 81 K HA -0.045 4.178 4.320 -0.161 0.000 0.192 81 K C 0.595 177.075 176.600 -0.200 0.000 1.027 81 K CA -0.146 55.954 56.287 -0.312 0.000 1.054 81 K CB -0.826 31.416 32.500 -0.430 0.000 0.824 81 K HN -0.618 7.203 8.250 -0.442 0.164 0.510 82 Y N -3.567 116.714 120.300 -0.032 0.000 2.531 82 Y HA 0.220 4.753 4.550 -0.029 0.000 0.249 82 Y C 0.628 176.515 175.900 -0.022 0.000 1.168 82 Y CA -2.835 55.246 58.100 -0.033 0.000 1.226 82 Y CB -0.465 37.963 38.460 -0.054 0.000 1.177 82 Y HN 0.100 8.071 8.280 -0.165 0.210 0.527 83 E N 1.265 121.519 120.200 0.090 0.000 2.160 83 E HA -0.309 4.076 4.350 0.058 0.000 0.195 83 E C 0.171 176.795 176.600 0.039 0.000 0.991 83 E CA 2.787 59.217 56.400 0.050 0.000 0.810 83 E CB -0.835 28.875 29.700 0.016 0.000 0.742 83 E HN -0.588 7.612 8.360 0.038 0.183 0.466 84 Q N -4.019 115.808 119.800 0.046 0.000 2.280 84 Q HA 0.040 4.386 4.340 0.011 0.000 0.201 84 Q C -0.704 175.318 176.000 0.036 0.000 0.890 84 Q CA -0.447 55.373 55.803 0.028 0.000 0.947 84 Q CB 0.603 29.353 28.738 0.020 0.000 1.081 84 Q HN 0.191 8.477 8.270 0.057 0.018 0.502 85 L N -6.948 114.311 121.223 0.060 0.000 2.588 85 L HA 0.619 4.970 4.340 0.019 0.000 0.256 85 L C -2.518 174.365 176.870 0.023 0.000 1.083 85 L CA -1.306 53.557 54.840 0.038 0.000 0.909 85 L CB 0.160 42.242 42.059 0.039 0.000 1.121 85 L HN -0.293 7.780 8.230 0.085 0.209 0.470 86 P HA 0.013 4.442 4.420 0.016 0.000 0.237 86 P C 0.728 178.014 177.300 -0.024 0.000 1.178 86 P CA 1.096 64.203 63.100 0.013 0.000 0.766 86 P CB 0.369 32.095 31.700 0.044 0.000 0.876 87 E N -1.787 118.391 120.200 -0.037 0.000 2.418 87 E HA -0.198 4.132 4.350 -0.033 0.000 0.197 87 E C -0.128 176.401 176.600 -0.118 0.000 1.026 87 E CA 1.982 58.350 56.400 -0.054 0.000 0.862 87 E CB -0.696 28.979 29.700 -0.041 0.000 0.799 87 E HN 0.049 8.335 8.360 -0.022 0.061 0.518 88 D N -3.855 116.416 120.400 -0.216 0.000 2.395 88 D HA 0.095 4.580 4.640 -0.260 0.000 0.213 88 D C 0.094 176.014 176.300 -0.634 0.000 1.110 88 D CA -0.126 53.636 54.000 -0.396 0.000 0.835 88 D CB 1.306 41.820 40.800 -0.476 0.000 0.965 88 D HN -0.509 7.582 8.370 -0.189 0.166 0.505 89 V N -5.999 113.661 119.914 -0.423 0.000 3.608 89 V HA 0.003 3.712 4.120 -0.684 0.000 0.269 89 V C 1.253 177.210 176.094 -0.229 0.000 1.245 89 V CA 0.816 62.861 62.300 -0.425 0.000 1.138 89 V CB -0.121 31.559 31.823 -0.238 0.000 0.841 89 V HN -1.069 6.926 8.190 -0.238 0.052 0.451 90 G N 0.156 108.931 108.800 -0.043 0.000 2.422 90 G HA2 -0.371 3.783 3.960 0.324 0.000 0.218 90 G HA3 -0.371 3.637 3.960 0.080 0.000 0.218 90 G C 0.445 175.378 174.900 0.055 0.000 1.140 90 G CA 2.263 47.428 45.100 0.109 0.000 0.775 90 G HN 0.281 8.488 8.290 -0.079 0.035 0.545 91 H N 0.634 119.606 119.070 -0.163 0.000 2.521 91 H HA -0.081 4.406 4.556 -0.114 0.000 0.286 91 H C 0.977 176.189 175.328 -0.194 0.000 1.034 91 H CA 1.792 57.735 56.048 -0.176 0.000 1.278 91 H CB 0.108 29.733 29.762 -0.228 0.000 1.386 91 H HN -0.028 8.215 8.280 -0.042 0.012 0.567 92 C N -1.634 117.465 119.300 -0.336 0.000 2.524 92 C HA -0.227 3.976 4.460 -0.427 0.000 0.284 92 C C 1.361 176.225 174.990 -0.211 0.000 1.346 92 C CA 2.058 60.843 59.018 -0.388 0.000 1.739 92 C CB 0.044 27.548 27.740 -0.393 0.000 2.119 92 C HN -0.747 7.085 8.230 -0.294 0.221 0.501 93 F N -0.891 119.094 119.950 0.060 0.000 2.216 93 F HA -0.321 4.418 4.527 0.354 0.000 0.300 93 F C 1.523 177.327 175.800 0.006 0.000 1.085 93 F CA 3.517 61.574 58.000 0.095 0.000 1.326 93 F CB -0.676 38.298 39.000 -0.043 0.000 1.027 93 F HN -0.557 7.535 8.300 -0.346 0.000 0.497 94 V N -2.429 117.548 119.914 0.105 0.000 2.591 94 V HA -0.390 3.767 4.120 0.062 0.000 0.249 94 V C 2.348 178.404 176.094 -0.063 0.000 1.053 94 V CA 3.681 65.999 62.300 0.030 0.000 1.068 94 V CB -0.555 31.276 31.823 0.014 0.000 0.689 94 V HN -0.617 7.616 8.190 0.086 0.008 0.462 95 T N 2.622 117.010 114.554 -0.277 0.000 2.778 95 T HA -0.285 3.762 4.350 -0.506 0.000 0.269 95 T C 0.305 174.669 174.700 -0.560 0.000 1.050 95 T CA 4.328 66.069 62.100 -0.598 0.000 1.137 95 T CB 0.030 68.305 68.868 -0.989 0.000 0.860 95 T HN -0.288 7.592 8.240 -0.295 0.183 0.468 96 W N -2.637 118.750 121.300 0.145 0.000 2.653 96 W HA 0.213 5.012 4.660 0.232 0.000 0.391 96 W C -0.941 175.835 176.519 0.429 0.000 0.962 96 W CA -1.346 56.185 57.345 0.311 0.000 1.900 96 W CB 0.626 30.392 29.460 0.509 0.000 1.176 96 W HN -0.722 7.494 8.180 0.150 0.055 0.582 97 A N 1.107 124.176 122.820 0.414 0.000 1.883 97 A HA -0.356 4.192 4.320 0.248 -0.079 0.217 97 A C 2.023 179.832 177.584 0.375 0.000 1.186 97 A CA 3.147 55.370 52.037 0.311 0.000 0.624 97 A CB -0.458 18.627 19.000 0.140 0.000 0.822 97 A HN -0.072 8.038 8.150 0.237 0.183 0.444 98 D N -2.286 118.297 120.400 0.305 0.000 2.178 98 D HA -0.247 4.526 4.640 0.221 0.000 0.201 98 D C 1.875 178.352 176.300 0.294 0.000 0.980 98 D CA 2.925 57.079 54.000 0.256 0.000 0.842 98 D CB -0.169 40.746 40.800 0.191 0.000 0.948 98 D HN 0.335 8.861 8.370 0.260 0.000 0.472 99 K N -0.825 119.809 120.400 0.390 0.000 2.442 99 K HA -0.189 4.226 4.320 0.159 0.000 0.198 99 K C 1.885 178.612 176.600 0.211 0.000 1.042 99 K CA 1.635 58.084 56.287 0.271 0.000 0.958 99 K CB -0.457 32.220 32.500 0.294 0.000 0.766 99 K HN -0.710 7.721 8.250 0.493 0.114 0.474 100 F N -0.661 119.428 119.950 0.231 0.000 2.802 100 F HA -0.048 4.664 4.527 0.309 0.000 0.300 100 F C 1.526 177.452 175.800 0.210 0.000 1.168 100 F CA 1.568 59.736 58.000 0.280 0.000 1.433 100 F CB -0.044 39.156 39.000 0.332 0.000 1.115 100 F HN -0.276 8.222 8.300 0.662 0.200 0.582 101 Q N -0.139 119.818 119.800 0.261 0.000 2.291 101 Q HA -0.367 4.093 4.340 0.199 0.000 0.205 101 Q C 1.181 177.238 176.000 0.095 0.000 0.970 101 Q CA 1.717 57.622 55.803 0.171 0.000 0.876 101 Q CB -0.609 28.207 28.738 0.130 0.000 0.935 101 Q HN -0.087 8.156 8.270 0.261 0.183 0.455 102 M N 0.087 119.688 119.600 0.001 0.000 2.279 102 M HA -0.281 4.165 4.480 -0.056 0.000 0.264 102 M C 0.995 177.247 176.300 -0.080 0.000 1.062 102 M CA 3.288 58.524 55.300 -0.107 0.000 1.099 102 M CB -0.230 32.204 32.600 -0.277 0.000 1.394 102 M HN -0.536 7.613 8.290 -0.003 0.140 0.426 103 Y N -3.233 117.068 120.300 0.002 0.000 2.516 103 Y HA -0.261 4.309 4.550 0.033 0.000 0.291 103 Y C 1.845 177.800 175.900 0.092 0.000 1.131 103 Y CA 2.898 61.012 58.100 0.024 0.000 1.281 103 Y CB -0.324 38.123 38.460 -0.023 0.000 1.013 103 Y HN -0.458 7.715 8.280 0.067 0.147 0.554 104 V N 0.422 120.471 119.914 0.225 0.000 2.488 104 V HA -0.448 3.772 4.120 0.167 0.000 0.246 104 V C 1.255 177.428 176.094 0.132 0.000 1.046 104 V CA 2.996 65.394 62.300 0.164 0.000 1.053 104 V CB -0.178 31.724 31.823 0.131 0.000 0.679 104 V HN -0.629 7.525 8.190 0.203 0.158 0.458 105 T N 2.652 117.274 114.554 0.112 0.000 2.701 105 T HA -0.439 3.944 4.350 0.055 0.000 0.263 105 T C 1.250 176.006 174.700 0.093 0.000 1.040 105 T CA 5.504 67.650 62.100 0.076 0.000 1.147 105 T CB 0.070 68.963 68.868 0.043 0.000 0.865 105 T HN -0.809 7.494 8.240 0.106 0.000 0.426 106 Y N 1.663 121.976 120.300 0.022 0.000 2.081 106 Y HA -0.468 4.094 4.550 0.020 0.000 0.280 106 Y C 1.405 177.335 175.900 0.049 0.000 1.163 106 Y CA 3.608 61.730 58.100 0.036 0.000 1.135 106 Y CB 0.044 38.540 38.460 0.060 0.000 0.970 106 Y HN -0.372 8.049 8.280 0.235 0.000 0.498 107 C N -3.029 116.450 119.300 0.298 0.000 2.435 107 C HA -0.361 4.244 4.460 0.241 0.000 0.279 107 C C 2.142 177.173 174.990 0.068 0.000 1.321 107 C CA 2.417 61.550 59.018 0.193 0.000 1.752 107 C CB -1.043 26.796 27.740 0.165 0.000 1.959 107 C HN -0.428 7.994 8.230 0.321 0.000 0.500 108 K N -1.187 119.241 120.400 0.046 0.000 2.211 108 K HA -0.242 4.085 4.320 0.013 0.000 0.203 108 K C 1.228 177.805 176.600 -0.038 0.000 1.050 108 K CA 3.092 59.383 56.287 0.006 0.000 0.945 108 K CB -0.387 32.119 32.500 0.009 0.000 0.732 108 K HN -0.645 7.631 8.250 0.073 0.018 0.451 109 N N -3.439 115.218 118.700 -0.072 0.000 2.412 109 N HA 0.094 4.984 4.740 -0.100 -0.210 0.184 109 N C 0.613 176.037 175.510 -0.144 0.000 1.101 109 N CA 1.511 54.488 53.050 -0.121 0.000 0.881 109 N CB 0.461 38.851 38.487 -0.163 0.000 0.969 109 N HN -0.594 7.723 8.380 -0.064 0.025 0.459 110 K N 1.873 122.206 120.400 -0.112 0.000 1.991 110 K HA -0.177 4.048 4.320 -0.158 0.000 0.212 110 K C -0.832 175.717 176.600 -0.085 0.000 1.049 110 K CA 5.074 61.304 56.287 -0.094 0.000 0.932 110 K CB -2.189 30.313 32.500 0.003 0.000 0.717 110 K HN -0.344 7.659 8.250 -0.071 0.205 0.441 111 P HA -0.118 4.429 4.420 -0.054 -0.159 0.216 111 P C 0.905 178.162 177.300 -0.071 0.000 1.153 111 P CA 2.620 65.686 63.100 -0.056 0.000 0.848 111 P CB -0.512 31.164 31.700 -0.039 0.000 0.787 112 D N -4.114 116.240 120.400 -0.077 0.000 2.178 112 D HA -0.329 4.271 4.640 -0.067 0.000 0.202 112 D C 2.018 178.258 176.300 -0.101 0.000 0.974 112 D CA 2.682 56.634 54.000 -0.080 0.000 0.841 112 D CB -1.108 39.645 40.800 -0.079 0.000 0.953 112 D HN 0.212 8.538 8.370 -0.073 0.000 0.478 113 S N 1.884 117.506 115.700 -0.130 0.000 2.353 113 S HA -0.508 3.914 4.470 -0.165 -0.051 0.222 113 S C 1.821 176.334 174.600 -0.146 0.000 1.035 113 S CA 3.850 61.952 58.200 -0.163 0.000 1.025 113 S CB 0.031 63.103 63.200 -0.213 0.000 0.902 113 S HN 0.050 8.281 8.310 -0.132 0.000 0.440 114 N N 1.567 120.192 118.700 -0.126 0.000 2.018 114 N HA -0.460 4.203 4.740 -0.128 0.000 0.196 114 N C 2.072 177.528 175.510 -0.090 0.000 1.043 114 N CA 4.001 56.986 53.050 -0.108 0.000 0.856 114 N CB -0.144 38.292 38.487 -0.084 0.000 1.042 114 N HN -0.164 8.070 8.380 -0.118 0.075 0.423 115 Q N 0.021 119.773 119.800 -0.080 0.000 2.118 115 Q HA -0.410 3.881 4.340 -0.080 0.000 0.211 115 Q C 2.155 178.109 176.000 -0.077 0.000 0.998 115 Q CA 3.290 59.047 55.803 -0.077 0.000 0.872 115 Q CB -0.034 28.665 28.738 -0.066 0.000 0.925 115 Q HN -0.066 8.158 8.270 -0.078 0.000 0.414 116 L N -2.858 118.331 121.223 -0.057 0.000 2.156 116 L HA -0.115 4.481 4.340 0.006 -0.252 0.208 116 L C 2.433 179.309 176.870 0.009 0.000 1.095 116 L CA 3.118 57.950 54.840 -0.013 0.000 0.770 116 L CB 0.091 42.143 42.059 -0.011 0.000 0.914 116 L HN -0.542 7.634 8.230 -0.070 0.012 0.439 117 I N -4.958 115.598 120.570 -0.023 0.000 2.928 117 I HA -0.439 3.807 4.170 0.127 0.000 0.266 117 I C 1.234 177.365 176.117 0.022 0.000 1.234 117 I CA 2.732 64.044 61.300 0.021 0.000 1.483 117 I CB -0.632 37.315 38.000 -0.088 0.000 1.097 117 I HN -0.378 7.792 8.210 -0.068 0.000 0.455 118 L N 0.207 121.412 121.223 -0.030 0.000 2.056 118 L HA -0.186 4.144 4.340 -0.016 0.000 0.202 118 L C 2.041 178.877 176.870 -0.055 0.000 1.086 118 L CA 2.300 57.117 54.840 -0.039 0.000 0.758 118 L CB -1.000 41.021 42.059 -0.063 0.000 0.912 118 L HN -0.322 7.740 8.230 -0.052 0.136 0.446 119 E N -3.021 117.096 120.200 -0.138 0.000 2.028 119 E HA -0.250 4.006 4.350 -0.156 0.000 0.190 119 E C 1.866 178.343 176.600 -0.204 0.000 0.984 119 E CA 2.244 58.494 56.400 -0.250 0.000 0.800 119 E CB -0.266 29.152 29.700 -0.469 0.000 0.758 119 E HN -0.247 8.024 8.360 -0.147 0.000 0.448 120 H N -2.249 116.822 119.070 0.001 0.000 2.652 120 H HA 0.238 4.787 4.556 -0.012 0.000 0.274 120 H C -0.102 175.228 175.328 0.003 0.000 1.021 120 H CA -0.495 55.549 56.048 -0.007 0.000 1.187 120 H CB 0.778 30.528 29.762 -0.021 0.000 1.505 120 H HN -0.653 7.553 8.280 -0.124 0.000 0.530 121 A N -2.146 120.757 122.820 0.137 0.000 1.878 121 A HA 0.023 4.409 4.320 0.110 0.000 0.213 121 A C -0.188 177.471 177.584 0.124 0.000 1.192 121 A CA 0.801 52.936 52.037 0.163 0.000 0.619 121 A CB 0.775 19.977 19.000 0.336 0.000 0.837 121 A HN -0.172 8.041 8.150 0.105 0.000 0.446 122 G N -1.970 106.907 108.800 0.129 0.000 2.499 122 G HA2 -0.325 3.681 3.960 0.076 0.000 0.232 122 G HA3 -0.325 3.682 3.960 0.078 0.000 0.232 122 G C 0.375 175.357 174.900 0.137 0.000 1.251 122 G CA 0.541 45.701 45.100 0.101 0.000 0.917 122 G HN -0.713 7.652 8.290 0.124 0.000 0.580 123 T N 3.166 117.787 114.554 0.110 0.000 3.107 123 T HA 0.165 4.589 4.350 0.125 0.000 0.249 123 T C 1.293 176.056 174.700 0.105 0.000 1.096 123 T CA -0.570 61.596 62.100 0.110 0.000 1.012 123 T CB -0.345 68.568 68.868 0.075 0.000 0.977 123 T HN 0.232 8.525 8.240 0.088 0.000 0.527 124 F N 3.790 123.668 119.950 -0.120 0.000 2.202 124 F HA -0.285 4.258 4.527 -0.129 -0.093 0.301 124 F C -0.102 175.576 175.800 -0.205 0.000 1.082 124 F CA 3.026 60.880 58.000 -0.243 0.000 1.313 124 F CB -0.267 38.474 39.000 -0.432 0.000 1.024 124 F HN -0.682 7.629 8.300 0.153 0.080 0.495 125 F N -4.541 115.330 119.950 -0.132 0.000 2.661 125 F HA -0.236 4.058 4.527 -0.388 0.000 0.298 125 F C 1.492 177.279 175.800 -0.022 0.000 1.137 125 F CA 1.651 59.568 58.000 -0.139 0.000 1.454 125 F CB -0.438 38.615 39.000 0.088 0.000 1.103 125 F HN -0.235 8.000 8.300 -0.061 0.028 0.577 126 D N -0.197 120.276 120.400 0.121 0.000 2.149 126 D HA -0.291 4.431 4.640 0.137 0.000 0.201 126 D C 1.602 177.934 176.300 0.053 0.000 0.972 126 D CA 3.617 57.677 54.000 0.101 0.000 0.835 126 D CB 0.024 40.873 40.800 0.081 0.000 0.966 126 D HN 0.262 8.509 8.370 0.089 0.176 0.476 127 E N -0.797 119.399 120.200 -0.006 0.000 2.072 127 E HA -0.259 4.099 4.350 0.014 0.000 0.190 127 E C 2.274 178.874 176.600 0.000 0.000 0.982 127 E CA 3.143 59.536 56.400 -0.010 0.000 0.803 127 E CB -0.272 29.414 29.700 -0.024 0.000 0.755 127 E HN -0.698 7.636 8.360 -0.044 0.000 0.453 128 I N -0.301 120.245 120.570 -0.040 0.000 2.286 128 I HA -0.552 3.687 4.170 0.115 0.000 0.248 128 I C 1.546 177.758 176.117 0.159 0.000 1.115 128 I CA 3.958 65.301 61.300 0.073 0.000 1.392 128 I CB -0.304 37.713 38.000 0.029 0.000 1.065 128 I HN -0.940 7.172 8.210 -0.163 0.000 0.418 129 Q N -0.114 119.776 119.800 0.150 0.000 2.047 129 Q HA -0.599 3.848 4.340 0.177 0.000 0.211 129 Q C 2.490 178.556 176.000 0.110 0.000 1.005 129 Q CA 3.805 59.702 55.803 0.157 0.000 0.866 129 Q CB -0.178 28.655 28.738 0.159 0.000 0.938 129 Q HN -0.039 8.322 8.270 0.152 0.000 0.414 130 Q N -3.442 116.402 119.800 0.074 0.000 2.172 130 Q HA -0.209 4.158 4.340 0.044 0.000 0.200 130 Q C 2.452 178.459 176.000 0.011 0.000 0.964 130 Q CA 2.217 58.044 55.803 0.041 0.000 0.855 130 Q CB -0.335 28.420 28.738 0.027 0.000 0.918 130 Q HN -0.597 7.715 8.270 0.070 0.000 0.444 131 R N -2.540 117.957 120.500 -0.005 0.000 2.075 131 R HA -0.194 4.085 4.340 -0.102 0.000 0.232 131 R C 2.001 178.172 176.300 -0.214 0.000 1.126 131 R CA 2.252 58.278 56.100 -0.122 0.000 0.963 131 R CB 0.155 30.347 30.300 -0.179 0.000 0.858 131 R HN -0.636 7.543 8.270 0.033 0.111 0.435 132 H N -5.687 113.364 119.070 -0.031 0.000 2.575 132 H HA 0.132 4.645 4.556 -0.072 0.000 0.267 132 H C 0.621 175.925 175.328 -0.040 0.000 0.966 132 H CA 0.440 56.450 56.048 -0.063 0.000 1.165 132 H CB 0.801 30.494 29.762 -0.116 0.000 1.433 132 H HN -0.648 7.707 8.280 0.124 0.000 0.544 133 G N 0.047 108.895 108.800 0.080 0.000 2.212 133 G HA2 -0.316 3.673 3.960 0.048 0.000 0.255 133 G HA3 -0.316 3.670 3.960 0.044 0.000 0.255 133 G C 0.166 175.112 174.900 0.077 0.000 1.062 133 G CA 0.553 45.689 45.100 0.059 0.000 0.815 133 G HN -0.295 7.881 8.290 0.069 0.156 0.497 134 L N -1.277 120.006 121.223 0.100 0.000 2.083 134 L HA -0.347 4.066 4.340 0.122 0.000 0.209 134 L C 1.826 178.768 176.870 0.119 0.000 1.083 134 L CA 1.977 56.894 54.840 0.129 0.000 0.752 134 L CB -0.099 42.063 42.059 0.171 0.000 0.899 134 L HN -0.003 8.293 8.230 0.110 0.000 0.433 135 A N -6.103 116.770 122.820 0.089 0.000 3.292 135 A HA -0.381 3.970 4.320 0.052 0.000 0.241 135 A C -0.966 176.642 177.584 0.040 0.000 0.569 135 A CA 1.753 53.824 52.037 0.057 0.000 1.149 135 A CB -1.322 17.705 19.000 0.045 0.000 1.321 135 A HN 0.619 8.801 8.150 0.088 0.020 0.679 136 N N -1.193 117.526 118.700 0.031 0.000 2.370 136 N HA 0.148 4.868 4.740 -0.034 0.000 0.303 136 N C -0.830 174.670 175.510 -0.017 0.000 1.103 136 N CA -1.149 51.875 53.050 -0.044 0.000 0.848 136 N CB 1.413 39.793 38.487 -0.178 0.000 1.235 136 N HN -0.317 7.980 8.380 0.071 0.126 0.496 137 S N -0.614 115.056 115.700 -0.050 0.000 2.576 137 S HA -0.090 4.394 4.470 0.023 0.000 0.272 137 S C 1.461 175.990 174.600 -0.119 0.000 1.352 137 S CA -0.678 57.497 58.200 -0.042 0.000 1.021 137 S CB 1.165 64.331 63.200 -0.056 0.000 0.887 137 S HN 0.138 8.412 8.310 -0.061 0.000 0.542 138 I N 3.769 124.224 120.570 -0.192 0.000 2.099 138 I HA -0.367 3.419 4.170 -0.641 0.000 0.239 138 I C 0.933 176.827 176.117 -0.372 0.000 1.066 138 I CA 2.882 63.886 61.300 -0.494 0.000 1.324 138 I CB 0.201 37.699 38.000 -0.836 0.000 1.037 138 I HN 0.387 8.531 8.210 -0.111 0.000 0.401 139 S N -0.350 115.173 115.700 -0.296 0.000 2.400 139 S HA -0.542 3.757 4.470 -0.284 0.000 0.234 139 S C 1.607 176.116 174.600 -0.151 0.000 1.049 139 S CA 3.172 61.236 58.200 -0.226 0.000 1.039 139 S CB -0.800 62.310 63.200 -0.149 0.000 0.856 139 S HN 0.241 8.393 8.310 -0.263 0.000 0.465 140 S N 1.180 116.791 115.700 -0.148 0.000 2.353 140 S HA -0.308 4.109 4.470 -0.089 0.000 0.222 140 S C 2.065 176.640 174.600 -0.042 0.000 1.035 140 S CA 3.019 61.140 58.200 -0.133 0.000 1.025 140 S CB -0.217 62.844 63.200 -0.232 0.000 0.902 140 S HN -0.679 7.501 8.310 -0.171 0.028 0.440 141 Y N -0.639 119.698 120.300 0.061 0.000 2.114 141 Y HA -0.292 4.356 4.550 0.163 0.000 0.284 141 Y C 2.998 179.047 175.900 0.249 0.000 1.143 141 Y CA 2.688 60.903 58.100 0.192 0.000 1.135 141 Y CB -0.166 38.486 38.460 0.321 0.000 0.980 141 Y HN -0.623 7.605 8.280 -0.087 0.000 0.499 142 L N -2.561 118.834 121.223 0.287 0.000 2.191 142 L HA -0.152 4.486 4.340 0.497 0.000 0.212 142 L C 2.195 179.183 176.870 0.196 0.000 1.103 142 L CA 3.005 57.941 54.840 0.160 0.000 0.769 142 L CB -0.784 40.974 42.059 -0.501 0.000 0.908 142 L HN -0.701 7.575 8.230 0.076 0.000 0.438 143 I N -2.092 118.537 120.570 0.098 0.000 2.876 143 I HA -0.259 3.985 4.170 0.123 0.000 0.264 143 I C 0.722 176.902 176.117 0.104 0.000 1.204 143 I CA -0.307 61.047 61.300 0.090 0.000 1.485 143 I CB -0.106 37.904 38.000 0.018 0.000 1.103 143 I HN -0.082 8.136 8.210 0.039 0.015 0.446 144 K N 1.863 122.349 120.400 0.144 0.000 2.074 144 K HA -0.328 4.039 4.320 0.077 0.000 0.209 144 K C -0.792 175.855 176.600 0.077 0.000 1.048 144 K CA 5.555 61.922 56.287 0.134 0.000 0.926 144 K CB -2.249 30.395 32.500 0.238 0.000 0.713 144 K HN -0.517 7.685 8.250 0.181 0.156 0.444 145 P HA -0.264 4.090 4.420 -0.110 0.000 0.220 145 P C 1.306 178.489 177.300 -0.195 0.000 1.155 145 P CA 3.316 66.375 63.100 -0.067 0.000 0.880 145 P CB -0.359 31.186 31.700 -0.258 0.000 0.790 146 V N -4.197 115.668 119.914 -0.083 0.000 2.788 146 V HA -0.376 3.646 4.120 -0.163 0.000 0.251 146 V C 1.693 177.722 176.094 -0.108 0.000 1.068 146 V CA 3.694 65.936 62.300 -0.096 0.000 1.090 146 V CB -0.457 31.360 31.823 -0.010 0.000 0.710 146 V HN -0.056 7.988 8.190 0.000 0.146 0.467 147 Q N -0.539 119.216 119.800 -0.076 0.000 2.172 147 Q HA -0.246 4.063 4.340 -0.052 0.000 0.200 147 Q C 2.644 178.577 176.000 -0.111 0.000 0.964 147 Q CA 2.934 58.699 55.803 -0.064 0.000 0.855 147 Q CB -0.874 27.853 28.738 -0.019 0.000 0.918 147 Q HN -0.629 7.516 8.270 -0.043 0.100 0.444 148 R N 0.541 120.916 120.500 -0.208 0.000 2.090 148 R HA -0.151 4.088 4.340 -0.168 0.000 0.228 148 R C 2.283 178.311 176.300 -0.454 0.000 1.110 148 R CA 2.375 58.277 56.100 -0.329 0.000 0.973 148 R CB -0.323 29.597 30.300 -0.633 0.000 0.869 148 R HN 0.274 8.206 8.270 -0.202 0.216 0.440 149 V N -2.757 116.840 119.914 -0.529 0.000 2.970 149 V HA -0.310 3.323 4.120 -0.810 0.000 0.260 149 V C 1.137 177.081 176.094 -0.249 0.000 1.100 149 V CA 3.043 65.008 62.300 -0.558 0.000 1.122 149 V CB -0.580 30.905 31.823 -0.564 0.000 0.721 149 V HN -0.138 7.782 8.190 -0.449 0.000 0.483 150 T N 2.224 116.682 114.554 -0.161 0.000 2.896 150 T HA -0.252 4.053 4.350 -0.075 0.000 0.263 150 T C 1.127 175.817 174.700 -0.017 0.000 1.050 150 T CA 4.480 66.535 62.100 -0.075 0.000 1.140 150 T CB -0.313 68.522 68.868 -0.055 0.000 0.877 150 T HN -0.610 7.401 8.240 -0.176 0.123 0.457 151 K N 2.926 123.334 120.400 0.013 0.000 2.057 151 K HA -0.322 4.038 4.320 0.067 0.000 0.207 151 K C 2.177 178.889 176.600 0.187 0.000 1.049 151 K CA 3.350 59.697 56.287 0.100 0.000 0.931 151 K CB -0.392 32.184 32.500 0.127 0.000 0.714 151 K HN -0.692 7.435 8.250 -0.039 0.099 0.440 152 Y N -2.006 118.254 120.300 -0.067 0.000 2.151 152 Y HA -0.460 4.077 4.550 -0.023 0.000 0.284 152 Y C 2.428 178.197 175.900 -0.219 0.000 1.166 152 Y CA 2.616 60.640 58.100 -0.127 0.000 1.163 152 Y CB -0.861 37.487 38.460 -0.187 0.000 0.974 152 Y HN -0.098 8.423 8.280 0.402 0.000 0.511 153 Q N -1.509 118.287 119.800 -0.006 0.000 2.083 153 Q HA -0.280 3.982 4.340 -0.130 0.000 0.198 153 Q C 2.519 178.494 176.000 -0.042 0.000 0.969 153 Q CA 2.990 58.751 55.803 -0.070 0.000 0.838 153 Q CB -0.202 28.498 28.738 -0.062 0.000 0.900 153 Q HN -0.698 7.462 8.270 0.024 0.124 0.436 154 L N -0.969 120.250 121.223 -0.005 0.000 1.963 154 L HA -0.434 3.907 4.340 0.001 0.000 0.220 154 L C 2.269 179.146 176.870 0.012 0.000 1.076 154 L CA 3.166 58.011 54.840 0.009 0.000 0.772 154 L CB -0.370 41.708 42.059 0.031 0.000 0.892 154 L HN 0.091 8.325 8.230 0.007 0.000 0.435 155 L N -5.406 115.834 121.223 0.030 0.000 2.131 155 L HA -0.152 4.215 4.340 0.045 0.000 0.206 155 L C 1.988 178.877 176.870 0.031 0.000 1.087 155 L CA 3.077 57.944 54.840 0.046 0.000 0.767 155 L CB -0.973 41.137 42.059 0.084 0.000 0.917 155 L HN -0.157 8.099 8.230 0.043 0.000 0.441 156 L N -0.074 121.137 121.223 -0.020 0.000 2.093 156 L HA -0.300 4.066 4.340 0.044 0.000 0.208 156 L C 1.420 178.270 176.870 -0.034 0.000 1.085 156 L CA 3.582 58.395 54.840 -0.044 0.000 0.755 156 L CB -0.396 41.507 42.059 -0.260 0.000 0.904 156 L HN -0.111 8.084 8.230 -0.058 0.000 0.435 157 K N -2.014 118.361 120.400 -0.042 0.000 2.148 157 K HA -0.323 3.977 4.320 -0.033 0.000 0.204 157 K C 2.734 179.327 176.600 -0.012 0.000 1.050 157 K CA 2.510 58.780 56.287 -0.029 0.000 0.942 157 K CB -1.017 31.465 32.500 -0.030 0.000 0.724 157 K HN -0.089 8.132 8.250 -0.049 0.000 0.446 158 E N -0.102 120.097 120.200 -0.002 0.000 2.031 158 E HA -0.250 4.096 4.350 -0.005 0.000 0.193 158 E C 2.330 178.937 176.600 0.011 0.000 0.994 158 E CA 2.507 58.909 56.400 0.004 0.000 0.800 158 E CB -0.637 29.072 29.700 0.013 0.000 0.752 158 E HN -0.837 7.410 8.360 -0.001 0.113 0.447 159 L N -2.753 118.485 121.223 0.025 0.000 1.994 159 L HA -0.274 4.085 4.340 0.032 0.000 0.208 159 L C 2.941 179.821 176.870 0.016 0.000 1.071 159 L CA 2.931 57.789 54.840 0.031 0.000 0.745 159 L CB -0.305 41.784 42.059 0.050 0.000 0.892 159 L HN -0.380 7.868 8.230 0.030 0.000 0.431 160 L N -7.846 113.383 121.223 0.011 0.000 2.353 160 L HA -0.113 4.230 4.340 0.005 0.000 0.220 160 L C 1.257 178.125 176.870 -0.002 0.000 1.133 160 L CA 2.543 57.385 54.840 0.003 0.000 0.798 160 L CB -1.116 40.941 42.059 -0.003 0.000 0.922 160 L HN -0.235 8.002 8.230 0.011 0.000 0.445 161 T N -2.211 112.340 114.554 -0.004 0.000 3.014 161 T HA -0.003 4.342 4.350 -0.007 0.000 0.250 161 T C 0.280 174.977 174.700 -0.005 0.000 1.060 161 T CA 1.385 63.482 62.100 -0.006 0.000 1.040 161 T CB 1.018 69.880 68.868 -0.010 0.000 0.971 161 T HN -0.449 7.757 8.240 -0.002 0.032 0.497 162 C N -0.619 118.680 119.300 -0.002 0.000 3.403 162 C HA 0.098 4.555 4.460 -0.005 0.000 0.317 162 C C -0.639 174.355 174.990 0.006 0.000 1.346 162 C CA -0.139 58.879 59.018 -0.001 0.000 1.743 162 C CB 2.894 30.631 27.740 -0.005 0.000 2.308 162 C HN -0.561 7.553 8.230 0.002 0.118 0.675 163 C N 3.615 122.920 119.300 0.008 0.000 2.667 163 C HA -0.213 4.256 4.460 0.015 0.000 0.385 163 C C 0.354 175.345 174.990 0.003 0.000 1.299 163 C CA 2.184 61.207 59.018 0.009 0.000 1.554 163 C CB -1.382 26.361 27.740 0.006 0.000 2.275 163 C HN 0.241 8.475 8.230 0.008 0.000 0.588 164 E N 4.927 125.130 120.200 0.005 0.000 2.169 164 E HA -0.409 3.941 4.350 0.000 0.000 0.202 164 E C 0.274 176.872 176.600 -0.003 0.000 1.016 164 E CA 2.106 58.506 56.400 0.001 0.000 0.817 164 E CB -0.239 29.464 29.700 0.004 0.000 0.736 164 E HN 0.155 8.520 8.360 0.009 0.000 0.462 165 E N 0.430 120.628 120.200 -0.004 0.000 2.346 165 E HA 0.097 4.441 4.350 -0.011 0.000 0.239 165 E C -0.824 175.768 176.600 -0.013 0.000 0.943 165 E CA -0.770 55.624 56.400 -0.010 0.000 0.751 165 E CB -0.329 29.364 29.700 -0.012 0.000 1.241 165 E HN -0.106 8.231 8.360 -0.001 0.022 0.423 166 G N 4.584 113.376 108.800 -0.013 0.000 4.198 166 G HA2 0.249 4.201 3.960 -0.014 0.000 0.282 166 G HA3 0.249 4.203 3.960 -0.010 0.000 0.282 166 G C -0.316 174.571 174.900 -0.022 0.000 1.262 166 G CA -0.965 44.126 45.100 -0.014 0.000 1.473 166 G HN 0.425 8.708 8.290 -0.012 0.000 0.624 167 K N -0.398 119.984 120.400 -0.031 0.000 2.162 167 K HA -0.484 3.920 4.320 -0.036 -0.106 0.219 167 K C 0.587 177.163 176.600 -0.040 0.000 1.038 167 K CA 2.115 58.377 56.287 -0.041 0.000 0.946 167 K CB 0.070 32.535 32.500 -0.060 0.000 0.783 167 K HN -0.448 7.727 8.250 -0.029 0.057 0.470 168 G N -4.968 103.810 108.800 -0.037 0.000 2.317 168 G HA2 -0.023 3.954 3.960 -0.018 0.000 0.293 168 G HA3 -0.023 3.917 3.960 -0.032 0.000 0.293 168 G C -1.546 173.347 174.900 -0.012 0.000 1.287 168 G CA -0.054 45.030 45.100 -0.026 0.000 0.850 168 G HN -0.716 7.538 8.290 -0.037 0.013 0.515 169 E N -3.402 116.800 120.200 0.003 0.000 4.005 169 E HA -0.473 3.895 4.350 0.030 0.000 0.349 169 E C 1.473 178.094 176.600 0.036 0.000 0.635 169 E CA 2.194 58.611 56.400 0.028 0.000 1.238 169 E CB -0.876 28.856 29.700 0.053 0.000 1.698 169 E HN 0.407 8.767 8.360 -0.001 0.000 0.418 170 L N -1.613 119.624 121.223 0.024 0.000 2.044 170 L HA -0.394 3.984 4.340 0.063 0.000 0.205 170 L C 1.468 178.345 176.870 0.012 0.000 1.075 170 L CA 4.142 59.001 54.840 0.031 0.000 0.747 170 L CB -0.380 41.690 42.059 0.018 0.000 0.903 170 L HN 0.182 8.321 8.230 0.011 0.097 0.435 171 K N -1.518 118.883 120.400 0.001 0.000 2.155 171 K HA -0.325 3.984 4.320 -0.019 0.000 0.203 171 K C 1.266 177.860 176.600 -0.011 0.000 1.052 171 K CA 3.715 59.996 56.287 -0.010 0.000 0.948 171 K CB -0.875 31.619 32.500 -0.009 0.000 0.728 171 K HN -0.010 8.242 8.250 0.003 0.000 0.448 172 D N -2.141 118.260 120.400 0.001 0.000 2.117 172 D HA -0.228 4.411 4.640 -0.000 0.000 0.198 172 D C 2.156 178.456 176.300 -0.000 0.000 0.982 172 D CA 4.398 58.401 54.000 0.005 0.000 0.828 172 D CB -0.589 40.221 40.800 0.016 0.000 0.967 172 D HN 0.006 8.370 8.370 0.007 0.010 0.464 173 G N -1.099 107.712 108.800 0.019 0.000 2.450 173 G HA2 -0.259 3.728 3.960 0.045 0.000 0.220 173 G HA3 -0.259 3.768 3.960 0.111 0.000 0.220 173 G C 1.145 175.985 174.900 -0.100 0.000 1.130 173 G CA 1.937 47.053 45.100 0.027 0.000 0.760 173 G HN 0.200 8.339 8.290 0.033 0.171 0.557 174 L N 0.774 121.943 121.223 -0.090 0.000 2.023 174 L HA -0.192 4.037 4.340 -0.184 0.000 0.205 174 L C 1.302 178.118 176.870 -0.090 0.000 1.073 174 L CA 2.942 57.712 54.840 -0.118 0.000 0.745 174 L CB -0.054 41.958 42.059 -0.079 0.000 0.900 174 L HN -0.316 7.779 8.230 -0.049 0.105 0.435 175 E N -0.923 119.246 120.200 -0.052 0.000 2.118 175 E HA -0.411 3.920 4.350 -0.031 0.000 0.195 175 E C 2.892 179.475 176.600 -0.028 0.000 0.992 175 E CA 3.118 59.500 56.400 -0.031 0.000 0.804 175 E CB -0.193 29.499 29.700 -0.013 0.000 0.741 175 E HN -0.030 8.305 8.360 -0.041 0.000 0.458 176 V N 1.648 121.539 119.914 -0.037 0.000 2.287 176 V HA -0.316 3.812 4.120 0.014 0.000 0.248 176 V C 1.358 177.417 176.094 -0.058 0.000 1.053 176 V CA 3.543 65.824 62.300 -0.031 0.000 1.027 176 V CB -0.107 31.688 31.823 -0.047 0.000 0.646 176 V HN -0.093 8.072 8.190 -0.041 0.000 0.447 177 M N -3.209 116.308 119.600 -0.139 0.000 2.159 177 M HA -0.308 4.092 4.480 -0.132 0.000 0.263 177 M C 1.886 178.150 176.300 -0.060 0.000 1.063 177 M CA 2.486 57.702 55.300 -0.139 0.000 1.110 177 M CB -0.875 31.599 32.600 -0.211 0.000 1.374 177 M HN -0.790 7.324 8.290 -0.164 0.077 0.411 178 L N -6.736 114.457 121.223 -0.049 0.000 2.375 178 L HA 0.072 4.392 4.340 -0.034 0.000 0.215 178 L C 1.928 178.799 176.870 0.000 0.000 1.108 178 L CA 1.457 56.280 54.840 -0.028 0.000 0.830 178 L CB -0.179 41.862 42.059 -0.030 0.000 0.959 178 L HN -0.398 7.664 8.230 -0.058 0.132 0.457 179 S N -0.010 115.699 115.700 0.015 0.000 2.470 179 S HA -0.184 4.302 4.470 0.027 0.000 0.225 179 S C 1.946 176.581 174.600 0.059 0.000 1.006 179 S CA 3.279 61.500 58.200 0.035 0.000 0.934 179 S CB -0.332 62.891 63.200 0.039 0.000 0.778 179 S HN -0.324 7.840 8.310 0.008 0.151 0.517 180 V N 4.254 124.216 119.914 0.079 0.000 2.229 180 V HA -0.235 3.965 4.120 0.133 0.000 0.243 180 V C -1.088 175.060 176.094 0.090 0.000 1.042 180 V CA 5.968 68.340 62.300 0.119 0.000 1.000 180 V CB -2.076 29.861 31.823 0.190 0.000 0.637 180 V HN -0.712 7.484 8.190 0.066 0.034 0.446 181 P HA -0.177 4.279 4.420 0.060 0.000 0.222 181 P C 0.929 178.251 177.300 0.038 0.000 1.147 181 P CA 2.273 65.399 63.100 0.044 0.000 0.790 181 P CB -0.734 30.973 31.700 0.013 0.000 0.780 182 K N -0.982 119.438 120.400 0.033 0.000 2.025 182 K HA -0.257 4.077 4.320 0.023 0.000 0.207 182 K C 1.990 178.613 176.600 0.039 0.000 1.049 182 K CA 2.625 58.930 56.287 0.029 0.000 0.933 182 K CB -0.394 32.120 32.500 0.023 0.000 0.714 182 K HN -0.743 7.496 8.250 0.033 0.031 0.438 183 K N -1.394 119.036 120.400 0.050 0.000 2.103 183 K HA -0.266 4.084 4.320 0.049 0.000 0.207 183 K C 2.189 178.824 176.600 0.057 0.000 1.048 183 K CA 2.704 59.025 56.287 0.056 0.000 0.930 183 K CB -0.382 32.160 32.500 0.070 0.000 0.716 183 K HN -0.017 8.083 8.250 0.055 0.183 0.444 184 A N -3.378 119.479 122.820 0.062 0.000 1.972 184 A HA -0.243 4.116 4.320 0.064 0.000 0.219 184 A C 1.151 178.764 177.584 0.047 0.000 1.169 184 A CA 3.258 55.331 52.037 0.060 0.000 0.635 184 A CB -0.600 18.441 19.000 0.068 0.000 0.810 184 A HN -0.187 7.884 8.150 0.064 0.118 0.446 185 N N -2.610 116.115 118.700 0.041 0.000 2.207 185 N HA -0.197 4.562 4.740 0.031 0.000 0.182 185 N C 2.347 177.878 175.510 0.035 0.000 1.020 185 N CA 2.508 55.578 53.050 0.033 0.000 0.858 185 N CB 0.095 38.597 38.487 0.026 0.000 0.991 185 N HN -0.618 7.652 8.380 0.041 0.136 0.427 186 D N 1.661 122.083 120.400 0.036 0.000 2.097 186 D HA -0.152 4.507 4.640 0.031 0.000 0.197 186 D C 0.963 177.289 176.300 0.044 0.000 0.984 186 D CA 2.582 56.603 54.000 0.036 0.000 0.826 186 D CB 0.439 41.259 40.800 0.033 0.000 0.973 186 D HN -0.514 7.879 8.370 0.037 0.000 0.460 187 A N -1.227 121.625 122.820 0.052 0.000 2.412 187 A HA 0.125 4.485 4.320 0.066 0.000 0.253 187 A C 0.110 177.743 177.584 0.082 0.000 1.334 187 A CA -0.595 51.482 52.037 0.067 0.000 0.929 187 A CB -0.555 18.486 19.000 0.067 0.000 0.983 187 A HN 0.140 8.206 8.150 0.051 0.114 0.508 188 M N -1.714 117.929 119.600 0.071 0.000 2.322 188 M HA -0.421 4.281 4.480 0.047 -0.194 0.253 188 M C -0.175 176.173 176.300 0.080 0.000 1.098 188 M CA 1.674 57.012 55.300 0.064 0.000 1.041 188 M CB -0.207 32.427 32.600 0.056 0.000 1.379 188 M HN -0.794 7.403 8.290 0.059 0.129 0.413 189 H N -1.765 117.315 119.070 0.016 0.000 3.086 189 H HA -0.000 4.562 4.556 0.011 0.000 0.265 189 H C -0.142 175.195 175.328 0.015 0.000 1.092 189 H CA -0.172 55.884 56.048 0.013 0.000 1.487 189 H CB -0.325 29.445 29.762 0.013 0.000 1.514 189 H HN -0.918 7.369 8.280 0.190 0.107 0.497 190 V N 0.000 119.718 119.914 -0.326 0.000 2.409 190 V HA 0.000 4.019 4.120 -0.168 0.000 0.244 190 V CA 0.000 62.143 62.300 -0.262 0.000 1.235 190 V CB 0.000 31.743 31.823 -0.133 0.000 1.184 190 V HN 0.000 8.030 8.190 -0.267 0.000 0.556