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 1sh5_1_B DATA FIRST_RESID 6 DATA SEQUENCE FDERDRVQKK TFTKWVNKHL IKHWRAEAQR HISDLYEDLR DGHNLISLLE DATA SEQUENCE VLSGDSLPRE KGRMRFHKLQ NVQIALDYLR HRQVKLVNIR NDDIADGNPK DATA SEQUENCE LTLGLIWTII LHFQISDIQV SGQSEDMTAK EKLLLWSQRM VEGYQGLRCD DATA SEQUENCE NFTTSWRDGR LFNAIIHRHK PMLIDMNKVY RQTNLENLDQ AFSVAERDLG DATA SEQUENCE VTRLLDPEDV DVPQPDEKSI ITYVSSLYDA MP 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 6 F HA 0.000 4.524 4.527 -0.004 0.000 0.279 6 F C 0.000 175.795 175.800 -0.008 0.000 0.967 6 F CA 0.000 57.997 58.000 -0.005 0.000 1.383 6 F CB 0.000 38.998 39.000 -0.002 0.000 1.145 7 D N 6.960 127.049 120.400 -0.520 0.000 2.408 7 D HA 0.228 4.540 4.640 -0.547 0.000 0.243 7 D C -0.122 175.613 176.300 -0.940 0.000 1.075 7 D CA -0.752 52.881 54.000 -0.612 0.000 0.832 7 D CB 1.776 42.410 40.800 -0.278 0.000 1.162 7 D HN 0.157 8.338 8.370 -0.316 0.000 0.515 8 E N 4.962 124.571 120.200 -0.985 0.000 2.209 8 E HA -0.393 3.409 4.350 -0.913 0.000 0.196 8 E C 1.455 177.868 176.600 -0.312 0.000 0.993 8 E CA 2.453 58.440 56.400 -0.687 0.000 0.819 8 E CB 0.313 29.814 29.700 -0.331 0.000 0.745 8 E HN 0.604 8.481 8.360 -0.805 0.000 0.477 9 R N -2.348 117.992 120.500 -0.267 0.000 2.152 9 R HA -0.349 3.899 4.340 -0.153 0.000 0.232 9 R C 2.153 178.343 176.300 -0.184 0.000 1.117 9 R CA 3.419 59.408 56.100 -0.185 0.000 0.981 9 R CB -0.319 29.884 30.300 -0.163 0.000 0.870 9 R HN -0.481 7.836 8.270 -0.286 -0.219 0.451 10 D N -1.219 119.070 120.400 -0.184 0.000 2.178 10 D HA -0.182 4.373 4.640 -0.142 0.000 0.202 10 D C 1.770 178.029 176.300 -0.067 0.000 0.974 10 D CA 3.166 57.096 54.000 -0.116 0.000 0.841 10 D CB -0.468 40.304 40.800 -0.048 0.000 0.953 10 D HN -0.232 7.990 8.370 -0.227 0.011 0.478 11 R N 0.429 120.908 120.500 -0.035 0.000 2.075 11 R HA -0.227 4.140 4.340 0.046 0.000 0.232 11 R C 2.089 178.353 176.300 -0.061 0.000 1.126 11 R CA 2.977 59.091 56.100 0.022 0.000 0.963 11 R CB -0.107 30.272 30.300 0.132 0.000 0.858 11 R HN -0.846 7.292 8.270 -0.071 0.089 0.435 12 V N -0.560 119.298 119.914 -0.093 0.000 2.358 12 V HA -0.404 3.666 4.120 -0.083 0.000 0.246 12 V C 1.811 177.789 176.094 -0.192 0.000 1.047 12 V CA 4.272 66.505 62.300 -0.112 0.000 1.035 12 V CB -0.604 31.161 31.823 -0.097 0.000 0.658 12 V HN -0.460 7.670 8.190 -0.099 0.000 0.452 13 Q N 0.214 119.847 119.800 -0.278 0.000 2.050 13 Q HA -0.294 3.699 4.340 -0.579 0.000 0.202 13 Q C 2.428 178.051 176.000 -0.629 0.000 0.980 13 Q CA 3.362 58.841 55.803 -0.539 0.000 0.840 13 Q CB -0.188 28.205 28.738 -0.574 0.000 0.898 13 Q HN -0.214 7.911 8.270 -0.242 0.000 0.424 14 K N -0.990 119.206 120.400 -0.340 0.000 2.032 14 K HA -0.366 3.838 4.320 -0.194 0.000 0.209 14 K C 2.157 178.674 176.600 -0.139 0.000 1.048 14 K CA 3.233 59.389 56.287 -0.219 0.000 0.927 14 K CB -0.172 32.214 32.500 -0.190 0.000 0.712 14 K HN -0.611 7.488 8.250 -0.252 0.000 0.441 15 K N -1.500 118.827 120.400 -0.122 0.000 2.063 15 K HA -0.319 3.969 4.320 -0.053 0.000 0.208 15 K C 2.289 178.885 176.600 -0.007 0.000 1.048 15 K CA 3.403 59.653 56.287 -0.062 0.000 0.928 15 K CB -0.101 32.365 32.500 -0.057 0.000 0.713 15 K HN -0.538 7.633 8.250 -0.132 0.000 0.442 16 T N 1.841 116.375 114.554 -0.032 0.000 2.777 16 T HA -0.233 4.163 4.350 0.076 0.000 0.266 16 T C 2.057 176.951 174.700 0.323 0.000 1.040 16 T CA 4.723 66.870 62.100 0.079 0.000 1.141 16 T CB -0.052 68.827 68.868 0.019 0.000 0.868 16 T HN -0.264 7.907 8.240 -0.115 0.000 0.444 17 F N 0.117 120.114 119.950 0.079 0.000 2.186 17 F HA -0.096 4.543 4.527 0.186 0.000 0.299 17 F C 1.864 177.772 175.800 0.181 0.000 1.090 17 F CA 0.820 58.904 58.000 0.140 0.000 1.307 17 F CB -1.251 37.805 39.000 0.094 0.000 1.019 17 F HN -0.090 8.290 8.300 0.133 0.000 0.489 18 T N 2.360 117.075 114.554 0.269 0.000 2.708 18 T HA -0.437 3.992 4.350 0.131 0.000 0.266 18 T C 1.888 176.669 174.700 0.135 0.000 1.037 18 T CA 5.274 67.455 62.100 0.135 0.000 1.146 18 T CB -0.457 68.420 68.868 0.014 0.000 0.865 18 T HN -0.133 8.226 8.240 0.199 0.000 0.435 19 K N 0.983 121.469 120.400 0.143 0.000 2.103 19 K HA -0.319 4.049 4.320 0.079 0.000 0.207 19 K C 2.097 178.797 176.600 0.166 0.000 1.048 19 K CA 3.783 60.143 56.287 0.122 0.000 0.930 19 K CB -0.389 32.168 32.500 0.095 0.000 0.716 19 K HN -0.381 7.951 8.250 0.137 0.000 0.444 20 W N 0.198 121.552 121.300 0.089 0.000 2.355 20 W HA -0.357 4.337 4.660 0.058 0.000 0.309 20 W C 1.696 178.290 176.519 0.124 0.000 1.206 20 W CA 4.035 61.440 57.345 0.101 0.000 1.284 20 W CB 0.265 29.812 29.460 0.145 0.000 1.145 20 W HN -0.308 8.076 8.180 0.477 0.081 0.502 21 V N -1.400 118.726 119.914 0.353 0.000 2.295 21 V HA -0.658 3.543 4.120 0.135 0.000 0.246 21 V C 2.198 178.297 176.094 0.007 0.000 1.049 21 V CA 4.569 66.975 62.300 0.176 0.000 1.024 21 V CB -0.622 31.326 31.823 0.209 0.000 0.648 21 V HN -0.195 8.271 8.190 0.461 0.000 0.447 22 N N -1.008 117.700 118.700 0.013 0.000 2.149 22 N HA -0.305 4.432 4.740 -0.004 0.000 0.188 22 N C 2.007 177.468 175.510 -0.082 0.000 1.019 22 N CA 2.785 55.829 53.050 -0.010 0.000 0.857 22 N CB -0.552 37.964 38.487 0.047 0.000 0.997 22 N HN -0.085 8.327 8.380 0.053 0.000 0.426 23 K N -0.586 119.704 120.400 -0.184 0.000 2.113 23 K HA -0.366 3.818 4.320 -0.227 0.000 0.208 23 K C 1.373 177.695 176.600 -0.463 0.000 1.047 23 K CA 3.027 59.114 56.287 -0.334 0.000 0.928 23 K CB -0.151 32.076 32.500 -0.455 0.000 0.716 23 K HN -0.589 7.563 8.250 -0.163 0.000 0.446 24 H N -2.316 116.566 119.070 -0.313 0.000 2.372 24 H HA -0.055 4.335 4.556 -0.278 0.000 0.301 24 H C 2.780 178.001 175.328 -0.178 0.000 1.065 24 H CA 2.776 58.642 56.048 -0.303 0.000 1.364 24 H CB 0.694 30.177 29.762 -0.465 0.000 1.406 24 H HN -0.760 7.246 8.280 -0.439 0.010 0.521 25 L N -1.507 119.694 121.223 -0.036 0.000 2.131 25 L HA -0.291 4.037 4.340 -0.021 0.000 0.210 25 L C 2.211 179.063 176.870 -0.030 0.000 1.092 25 L CA 2.969 57.790 54.840 -0.031 0.000 0.759 25 L CB -0.485 41.552 42.059 -0.037 0.000 0.903 25 L HN -0.371 7.830 8.230 -0.048 0.000 0.435 26 I N -7.480 113.065 120.570 -0.042 0.000 2.756 26 I HA -0.208 3.945 4.170 -0.028 0.000 0.262 26 I C 0.880 176.983 176.117 -0.023 0.000 1.225 26 I CA 2.521 63.800 61.300 -0.035 0.000 1.472 26 I CB -0.506 37.468 38.000 -0.043 0.000 1.094 26 I HN -0.557 7.606 8.210 -0.059 0.012 0.454 27 K N -2.876 117.509 120.400 -0.026 0.000 2.459 27 K HA -0.128 4.193 4.320 0.002 0.000 0.193 27 K C 0.126 176.742 176.600 0.027 0.000 1.030 27 K CA -0.070 56.216 56.287 -0.001 0.000 1.026 27 K CB -0.066 32.427 32.500 -0.012 0.000 0.809 27 K HN -0.646 7.551 8.250 -0.043 0.028 0.504 28 H N 1.358 120.358 119.070 -0.118 0.000 2.948 28 H HA -0.192 4.182 4.556 -0.303 0.000 0.351 28 H C 0.964 176.195 175.328 -0.161 0.000 1.079 28 H CA 1.568 57.453 56.048 -0.272 0.000 1.407 28 H CB 1.525 31.032 29.762 -0.426 0.000 1.373 28 H HN -0.850 7.414 8.280 0.056 0.050 0.605 29 W N 2.175 123.426 121.300 -0.083 0.000 2.518 29 W HA -0.076 4.582 4.660 -0.003 0.000 0.273 29 W C -0.536 176.059 176.519 0.127 0.000 1.247 29 W CA 0.123 57.469 57.345 0.003 0.000 1.288 29 W CB -0.010 29.399 29.460 -0.086 0.000 1.107 29 W HN 0.212 7.810 8.180 -0.970 0.000 0.586 30 R N 0.842 121.350 120.500 0.014 0.000 2.265 30 R HA 0.124 4.512 4.340 0.079 0.000 0.314 30 R C 0.910 177.168 176.300 -0.070 0.000 1.053 30 R CA -1.043 55.058 56.100 0.003 0.000 0.931 30 R CB 0.590 30.826 30.300 -0.108 0.000 1.024 30 R HN -0.594 7.683 8.270 0.012 0.000 0.457 31 A N 6.694 129.492 122.820 -0.037 0.000 1.930 31 A HA -0.264 4.032 4.320 -0.040 0.000 0.217 31 A C 1.679 179.204 177.584 -0.099 0.000 1.175 31 A CA 2.860 54.867 52.037 -0.049 0.000 0.627 31 A CB -0.604 18.382 19.000 -0.023 0.000 0.815 31 A HN 0.779 8.924 8.150 -0.009 0.000 0.443 32 E N -4.125 116.002 120.200 -0.121 0.000 2.409 32 E HA -0.228 4.053 4.350 -0.115 0.000 0.198 32 E C 0.207 176.672 176.600 -0.226 0.000 1.024 32 E CA 1.476 57.787 56.400 -0.147 0.000 0.861 32 E CB -0.839 28.779 29.700 -0.136 0.000 0.788 32 E HN 0.339 8.635 8.360 -0.108 0.000 0.521 33 A N -2.306 120.304 122.820 -0.350 0.000 2.218 33 A HA 0.048 4.116 4.320 -0.419 0.000 0.209 33 A C 0.073 177.456 177.584 -0.335 0.000 1.168 33 A CA 0.006 51.738 52.037 -0.508 0.000 0.804 33 A CB 0.918 19.235 19.000 -1.139 0.000 0.834 33 A HN -0.600 7.189 8.150 -0.361 0.144 0.482 34 Q N -0.331 119.346 119.800 -0.206 0.000 3.026 34 Q HA -0.069 4.423 4.340 -0.098 -0.211 0.258 34 Q C -0.276 175.684 176.000 -0.066 0.000 1.388 34 Q CA -0.110 55.630 55.803 -0.106 0.000 1.000 34 Q CB -1.490 27.210 28.738 -0.064 0.000 1.634 34 Q HN -0.720 7.390 8.270 -0.190 0.046 0.571 35 R N 0.528 120.992 120.500 -0.060 0.000 2.700 35 R HA 0.132 4.474 4.340 0.004 0.000 0.253 35 R C -1.174 175.161 176.300 0.059 0.000 1.091 35 R CA -1.399 54.696 56.100 -0.009 0.000 1.104 35 R CB 1.881 32.162 30.300 -0.032 0.000 1.202 35 R HN -0.426 7.768 8.270 -0.083 0.026 0.532 36 H N 0.448 119.497 119.070 -0.036 0.000 2.589 36 H HA 0.183 4.843 4.556 -0.027 -0.120 0.351 36 H C -0.901 174.419 175.328 -0.013 0.000 1.074 36 H CA -1.282 54.751 56.048 -0.026 0.000 1.203 36 H CB 2.347 32.094 29.762 -0.026 0.000 1.558 36 H HN 0.130 8.490 8.280 0.132 0.000 0.522 37 I N 6.042 126.372 120.570 -0.401 0.000 2.452 37 I HA -0.151 4.007 4.170 -0.196 -0.106 0.287 37 I C -0.301 175.496 176.117 -0.534 0.000 1.079 37 I CA -0.345 60.759 61.300 -0.327 0.000 1.387 37 I CB -1.022 36.868 38.000 -0.184 0.000 1.404 37 I HN 0.435 8.802 8.210 -0.357 -0.371 0.522 38 S N 7.902 123.434 115.700 -0.281 0.000 2.412 38 S HA -0.007 4.345 4.470 -0.196 0.000 0.223 38 S C -0.562 173.966 174.600 -0.120 0.000 1.048 38 S CA 1.666 59.766 58.200 -0.167 0.000 0.954 38 S CB 1.112 64.285 63.200 -0.045 0.000 0.840 38 S HN 0.701 9.219 8.310 -0.180 -0.316 0.503 39 D N 0.730 121.069 120.400 -0.101 0.000 2.620 39 D HA 0.222 4.771 4.640 -0.152 0.000 0.252 39 D C -0.829 175.405 176.300 -0.111 0.000 1.207 39 D CA -1.253 52.678 54.000 -0.114 0.000 0.884 39 D CB 2.024 42.787 40.800 -0.062 0.000 1.262 39 D HN -0.731 7.837 8.370 -0.085 -0.249 0.552 40 L N 6.122 127.227 121.223 -0.197 0.000 2.191 40 L HA -0.208 4.111 4.340 -0.035 0.000 0.212 40 L C 0.103 177.010 176.870 0.060 0.000 1.103 40 L CA 2.063 56.836 54.840 -0.111 0.000 0.769 40 L CB 0.394 42.359 42.059 -0.157 0.000 0.908 40 L HN 0.672 8.732 8.230 -0.283 0.000 0.438 41 Y N -6.611 113.704 120.300 0.024 0.000 2.466 41 Y HA -0.195 4.372 4.550 0.028 0.000 0.272 41 Y C 0.284 176.191 175.900 0.011 0.000 1.169 41 Y CA -0.382 57.731 58.100 0.022 0.000 1.285 41 Y CB 0.087 38.559 38.460 0.019 0.000 1.078 41 Y HN -0.620 7.810 8.280 -0.154 -0.243 0.523 42 E N -1.242 119.034 120.200 0.126 0.000 2.332 42 E HA 0.070 4.465 4.350 0.074 0.000 0.202 42 E C 1.454 178.081 176.600 0.044 0.000 0.877 42 E CA 1.153 57.595 56.400 0.070 0.000 0.979 42 E CB 1.029 30.754 29.700 0.041 0.000 0.969 42 E HN -0.505 7.758 8.360 0.083 0.147 0.495 43 D N 0.373 120.791 120.400 0.030 0.000 2.349 43 D HA 0.023 4.670 4.640 0.012 0.000 0.224 43 D C 0.589 176.903 176.300 0.023 0.000 1.029 43 D CA 1.983 55.991 54.000 0.013 0.000 0.879 43 D CB -0.001 40.790 40.800 -0.016 0.000 0.906 43 D HN -0.099 8.287 8.370 0.027 0.000 0.528 44 L N -4.216 117.033 121.223 0.043 0.000 2.640 44 L HA 0.202 4.561 4.340 0.033 0.000 0.230 44 L C 1.318 178.203 176.870 0.025 0.000 1.123 44 L CA -0.325 54.541 54.840 0.043 0.000 0.900 44 L CB -0.299 41.802 42.059 0.070 0.000 1.146 44 L HN -0.449 7.777 8.230 0.060 0.040 0.484 45 R N 0.880 121.393 120.500 0.022 0.000 2.096 45 R HA -0.274 4.246 4.340 0.011 -0.173 0.235 45 R C 1.360 177.644 176.300 -0.028 0.000 1.127 45 R CA 3.415 59.517 56.100 0.005 0.000 0.968 45 R CB 0.078 30.383 30.300 0.009 0.000 0.861 45 R HN -0.775 7.512 8.270 0.028 0.000 0.440 46 D N -6.105 114.262 120.400 -0.055 0.000 2.340 46 D HA -0.040 4.538 4.640 -0.103 0.000 0.220 46 D C 0.624 176.802 176.300 -0.203 0.000 1.039 46 D CA -0.796 53.128 54.000 -0.127 0.000 0.866 46 D CB -0.982 39.726 40.800 -0.153 0.000 0.913 46 D HN 0.004 8.348 8.370 -0.043 0.000 0.523 47 G N -0.183 108.556 108.800 -0.102 0.000 2.245 47 G HA2 -0.525 3.425 3.960 -0.016 0.000 0.264 47 G HA3 -0.525 3.396 3.960 -0.065 0.000 0.264 47 G C 0.777 175.667 174.900 -0.016 0.000 0.985 47 G CA 1.570 46.635 45.100 -0.058 0.000 0.625 47 G HN -0.357 7.846 8.290 -0.058 0.052 0.536 48 H N 2.675 121.734 119.070 -0.019 0.000 2.353 48 H HA -0.267 4.257 4.556 -0.054 0.000 0.300 48 H C 1.866 177.152 175.328 -0.070 0.000 1.090 48 H CA 3.335 59.353 56.048 -0.050 0.000 1.327 48 H CB -0.462 29.264 29.762 -0.060 0.000 1.383 48 H HN -0.243 8.142 8.280 -0.173 -0.209 0.508 49 N N -2.094 116.648 118.700 0.072 0.000 2.331 49 N HA -0.218 4.508 4.740 -0.024 0.000 0.180 49 N C 1.465 176.978 175.510 0.004 0.000 1.019 49 N CA 2.851 55.907 53.050 0.010 0.000 0.881 49 N CB -0.791 37.700 38.487 0.007 0.000 0.972 49 N HN -0.097 8.325 8.380 0.070 0.000 0.435 50 L N 0.697 121.933 121.223 0.022 0.000 2.093 50 L HA -0.186 4.171 4.340 0.029 0.000 0.208 50 L C 1.519 178.388 176.870 -0.000 0.000 1.085 50 L CA 2.838 57.692 54.840 0.023 0.000 0.755 50 L CB -0.042 42.038 42.059 0.035 0.000 0.904 50 L HN -0.437 7.810 8.230 0.029 0.000 0.435 51 I N -0.771 119.800 120.570 0.002 0.000 2.233 51 I HA -0.657 3.486 4.170 -0.045 0.000 0.243 51 I C 1.667 177.746 176.117 -0.063 0.000 1.093 51 I CA 4.470 65.754 61.300 -0.027 0.000 1.380 51 I CB -0.316 37.690 38.000 0.011 0.000 1.067 51 I HN -0.264 7.960 8.210 0.023 0.000 0.413 52 S N 0.857 116.513 115.700 -0.074 0.000 2.370 52 S HA -0.348 4.226 4.470 -0.084 -0.153 0.226 52 S C 2.041 176.609 174.600 -0.052 0.000 1.033 52 S CA 3.080 61.219 58.200 -0.102 0.000 1.011 52 S CB 0.019 63.074 63.200 -0.241 0.000 0.852 52 S HN -0.309 7.964 8.310 -0.062 0.000 0.457 53 L N 1.938 123.119 121.223 -0.069 0.000 2.042 53 L HA -0.276 4.004 4.340 -0.100 0.000 0.210 53 L C 1.148 177.908 176.870 -0.183 0.000 1.076 53 L CA 3.106 57.886 54.840 -0.100 0.000 0.749 53 L CB -0.255 41.775 42.059 -0.048 0.000 0.893 53 L HN -0.444 7.753 8.230 -0.055 0.000 0.432 54 L N -2.526 118.600 121.223 -0.162 0.000 2.109 54 L HA -0.346 3.802 4.340 -0.319 0.000 0.207 54 L C 2.459 179.185 176.870 -0.240 0.000 1.086 54 L CA 2.521 57.220 54.840 -0.235 0.000 0.760 54 L CB -1.120 40.826 42.059 -0.188 0.000 0.910 54 L HN -0.579 7.576 8.230 -0.116 0.005 0.437 55 E N 0.212 120.317 120.200 -0.159 0.000 2.051 55 E HA -0.303 4.197 4.350 -0.020 -0.162 0.192 55 E C 2.998 179.586 176.600 -0.021 0.000 0.991 55 E CA 2.982 59.349 56.400 -0.055 0.000 0.799 55 E CB -0.017 29.663 29.700 -0.033 0.000 0.748 55 E HN -0.390 7.889 8.360 -0.135 0.000 0.449 56 V N -1.121 118.706 119.914 -0.144 0.000 2.358 56 V HA -0.362 3.761 4.120 0.006 0.000 0.246 56 V C 2.017 178.039 176.094 -0.120 0.000 1.047 56 V CA 3.903 66.146 62.300 -0.096 0.000 1.035 56 V CB -0.326 31.432 31.823 -0.109 0.000 0.658 56 V HN -0.466 7.631 8.190 -0.154 0.000 0.452 57 L N -3.300 117.736 121.223 -0.311 0.000 2.093 57 L HA -0.237 3.866 4.340 -0.394 0.000 0.208 57 L C 1.217 177.957 176.870 -0.217 0.000 1.085 57 L CA 2.711 57.266 54.840 -0.474 0.000 0.755 57 L CB 0.107 41.510 42.059 -1.092 0.000 0.904 57 L HN -0.344 7.672 8.230 -0.358 0.000 0.435 58 S N -4.549 111.093 115.700 -0.096 0.000 2.497 58 S HA 0.038 4.660 4.470 0.253 0.000 0.218 58 S C 1.544 176.214 174.600 0.116 0.000 1.023 58 S CA 0.380 58.667 58.200 0.145 0.000 0.913 58 S CB 2.364 65.731 63.200 0.278 0.000 0.800 58 S HN -0.529 7.682 8.310 -0.127 0.022 0.505 59 G N 2.666 111.521 108.800 0.092 0.000 2.184 59 G HA2 -0.350 3.684 3.960 0.066 0.000 0.264 59 G HA3 -0.350 3.606 3.960 -0.005 0.000 0.264 59 G C -0.315 174.611 174.900 0.044 0.000 0.975 59 G CA 0.559 45.689 45.100 0.050 0.000 0.642 59 G HN -0.095 8.252 8.290 0.095 0.000 0.536 60 D N 1.262 121.725 120.400 0.105 0.000 2.313 60 D HA 0.145 4.827 4.640 0.070 0.000 0.247 60 D C -0.719 175.667 176.300 0.143 0.000 1.094 60 D CA 0.311 54.368 54.000 0.096 0.000 0.925 60 D CB 1.169 42.041 40.800 0.120 0.000 1.188 60 D HN -0.209 8.170 8.370 0.115 0.060 0.430 61 S N 0.271 116.052 115.700 0.134 0.000 2.586 61 S HA 0.117 4.868 4.470 0.240 -0.137 0.274 61 S C -0.795 173.845 174.600 0.066 0.000 1.281 61 S CA 0.150 58.449 58.200 0.164 0.000 1.035 61 S CB 1.009 64.307 63.200 0.163 0.000 0.962 61 S HN 0.057 8.426 8.310 0.098 0.000 0.512 62 L N 3.420 124.666 121.223 0.038 0.000 2.333 62 L HA 0.544 4.892 4.340 0.014 0.000 0.263 62 L C -2.366 174.519 176.870 0.026 0.000 1.014 62 L CA -3.494 51.347 54.840 0.001 0.000 0.820 62 L CB 1.003 43.016 42.059 -0.076 0.000 1.352 62 L HN -0.186 8.340 8.230 0.057 -0.262 0.421 63 P HA 0.183 4.622 4.420 0.032 0.000 0.276 63 P C -1.730 175.594 177.300 0.040 0.000 1.244 63 P CA -0.409 62.712 63.100 0.035 0.000 0.801 63 P CB 0.442 32.165 31.700 0.038 0.000 1.006 64 R N -2.605 117.921 120.500 0.043 0.000 2.680 64 R HA 0.152 4.545 4.340 0.088 0.000 0.269 64 R C -1.589 174.760 176.300 0.081 0.000 1.026 64 R CA -1.677 54.471 56.100 0.081 0.000 0.889 64 R CB 2.072 32.437 30.300 0.108 0.000 1.241 64 R HN -0.181 8.108 8.270 0.032 0.000 0.463 65 E N 1.418 121.685 120.200 0.111 0.000 2.283 65 E HA 0.083 4.441 4.350 0.013 0.000 0.278 65 E C 0.061 176.706 176.600 0.075 0.000 1.027 65 E CA -0.323 56.109 56.400 0.053 0.000 0.843 65 E CB 0.477 30.218 29.700 0.069 0.000 1.062 65 E HN 0.375 8.811 8.360 0.127 0.000 0.401 66 K N 2.355 122.730 120.400 -0.041 0.000 2.374 66 K HA 0.136 4.544 4.320 0.146 0.000 0.196 66 K C 0.529 177.051 176.600 -0.130 0.000 1.023 66 K CA -0.225 56.056 56.287 -0.010 0.000 1.103 66 K CB -0.013 32.463 32.500 -0.039 0.000 0.848 66 K HN 0.175 8.371 8.250 -0.090 0.000 0.528 67 G N 0.136 108.647 108.800 -0.482 0.000 2.684 67 G HA2 0.005 3.801 3.960 -0.275 0.000 0.255 67 G HA3 0.005 3.114 3.960 -1.419 0.000 0.255 67 G C -0.620 174.265 174.900 -0.025 0.000 1.219 67 G CA -0.427 44.316 45.100 -0.596 0.000 0.901 67 G HN -0.491 7.394 8.290 -0.675 0.000 0.548 68 R N -2.491 118.188 120.500 0.299 0.000 2.476 68 R HA 0.190 4.623 4.340 0.155 0.000 0.276 68 R C -0.255 176.175 176.300 0.217 0.000 0.941 68 R CA -0.227 56.002 56.100 0.215 0.000 1.088 68 R CB 0.843 31.211 30.300 0.112 0.000 1.216 68 R HN 0.262 8.736 8.270 0.340 0.000 0.533 69 M N 0.017 119.793 119.600 0.293 0.000 2.202 69 M HA 0.037 4.575 4.480 0.097 0.000 0.316 69 M C 0.544 176.872 176.300 0.046 0.000 1.138 69 M CA -0.189 55.172 55.300 0.101 0.000 1.151 69 M CB 0.544 33.164 32.600 0.034 0.000 1.422 69 M HN -0.604 7.999 8.290 0.523 0.000 0.471 70 R N 0.992 121.493 120.500 0.002 0.000 2.117 70 R HA -0.371 3.929 4.340 -0.067 0.000 0.243 70 R C 1.878 178.108 176.300 -0.116 0.000 1.143 70 R CA 3.926 59.967 56.100 -0.098 0.000 0.968 70 R CB -0.386 29.783 30.300 -0.219 0.000 0.863 70 R HN 0.673 8.951 8.270 0.014 0.000 0.444 71 F N -3.473 116.373 119.950 -0.174 0.000 2.102 71 F HA -0.291 4.168 4.527 -0.113 0.000 0.298 71 F C 2.320 178.030 175.800 -0.150 0.000 1.105 71 F CA 3.962 61.851 58.000 -0.185 0.000 1.239 71 F CB -0.779 38.065 39.000 -0.260 0.000 0.991 71 F HN 0.028 8.399 8.300 0.151 0.019 0.474 72 H N -2.052 117.127 119.070 0.182 0.000 2.387 72 H HA -0.298 4.309 4.556 0.085 0.000 0.299 72 H C 2.636 177.969 175.328 0.008 0.000 1.099 72 H CA 3.457 59.552 56.048 0.079 0.000 1.315 72 H CB -0.760 29.033 29.762 0.052 0.000 1.380 72 H HN -0.494 7.598 8.280 -0.314 0.000 0.513 73 K N -0.042 120.407 120.400 0.081 0.000 2.062 73 K HA -0.132 4.307 4.320 -0.051 -0.150 0.205 73 K C 2.394 178.987 176.600 -0.011 0.000 1.051 73 K CA 3.077 59.357 56.287 -0.011 0.000 0.941 73 K CB 0.036 32.518 32.500 -0.031 0.000 0.719 73 K HN -0.777 7.518 8.250 0.074 0.000 0.440 74 L N -1.132 120.084 121.223 -0.011 0.000 2.083 74 L HA -0.350 3.976 4.340 -0.024 0.000 0.209 74 L C 2.240 179.122 176.870 0.019 0.000 1.083 74 L CA 3.156 57.986 54.840 -0.016 0.000 0.752 74 L CB -0.311 41.716 42.059 -0.053 0.000 0.899 74 L HN -0.038 8.182 8.230 -0.018 0.000 0.433 75 Q N -1.258 118.573 119.800 0.052 0.000 2.083 75 Q HA -0.290 4.088 4.340 0.063 0.000 0.198 75 Q C 2.574 178.608 176.000 0.056 0.000 0.969 75 Q CA 2.667 58.511 55.803 0.069 0.000 0.838 75 Q CB -0.745 28.061 28.738 0.112 0.000 0.900 75 Q HN -0.397 7.899 8.270 0.067 0.014 0.436 76 N N 0.609 119.335 118.700 0.044 0.000 2.104 76 N HA -0.365 4.404 4.740 0.049 0.000 0.190 76 N C 2.305 177.830 175.510 0.025 0.000 1.024 76 N CA 3.394 56.460 53.050 0.027 0.000 0.853 76 N CB 0.004 38.470 38.487 -0.035 0.000 1.008 76 N HN -0.451 7.955 8.380 0.044 0.000 0.424 77 V N -0.394 119.529 119.914 0.014 0.000 2.343 77 V HA -0.414 3.720 4.120 0.024 0.000 0.247 77 V C 1.583 177.699 176.094 0.036 0.000 1.051 77 V CA 4.325 66.638 62.300 0.021 0.000 1.036 77 V CB -0.535 31.294 31.823 0.010 0.000 0.654 77 V HN -0.443 7.750 8.190 0.006 0.000 0.451 78 Q N -0.139 119.683 119.800 0.036 0.000 2.084 78 Q HA -0.274 4.090 4.340 0.040 0.000 0.202 78 Q C 2.523 178.558 176.000 0.058 0.000 0.978 78 Q CA 2.842 58.671 55.803 0.043 0.000 0.844 78 Q CB -0.546 28.216 28.738 0.040 0.000 0.898 78 Q HN -0.516 7.689 8.270 0.033 0.086 0.426 79 I N -0.757 119.849 120.570 0.061 0.000 2.185 79 I HA -0.613 3.603 4.170 0.077 0.000 0.246 79 I C 1.629 177.809 176.117 0.105 0.000 1.088 79 I CA 4.206 65.551 61.300 0.076 0.000 1.347 79 I CB -0.295 37.744 38.000 0.065 0.000 1.041 79 I HN 0.098 8.341 8.210 0.056 0.000 0.415 80 A N -0.570 122.302 122.820 0.088 0.000 1.873 80 A HA -0.319 4.074 4.320 0.122 0.000 0.215 80 A C 2.003 179.674 177.584 0.145 0.000 1.186 80 A CA 3.209 55.312 52.037 0.110 0.000 0.616 80 A CB -0.647 18.395 19.000 0.069 0.000 0.823 80 A HN -0.632 7.558 8.150 0.068 0.000 0.442 81 L N -3.048 118.234 121.223 0.098 0.000 2.141 81 L HA -0.425 3.963 4.340 0.081 0.000 0.209 81 L C 2.271 179.190 176.870 0.082 0.000 1.094 81 L CA 2.795 57.683 54.840 0.079 0.000 0.763 81 L CB -0.601 41.488 42.059 0.050 0.000 0.908 81 L HN -0.229 8.049 8.230 0.080 0.000 0.437 82 D N -0.743 119.714 120.400 0.094 0.000 2.149 82 D HA -0.256 4.419 4.640 0.058 0.000 0.201 82 D C 2.128 178.496 176.300 0.114 0.000 0.972 82 D CA 3.396 57.445 54.000 0.082 0.000 0.835 82 D CB -0.104 40.735 40.800 0.065 0.000 0.966 82 D HN -0.017 8.410 8.370 0.096 0.000 0.476 83 Y N 1.380 121.711 120.300 0.052 0.000 2.128 83 Y HA -0.432 4.177 4.550 0.099 0.000 0.284 83 Y C 1.737 177.685 175.900 0.080 0.000 1.154 83 Y CA 3.807 61.956 58.100 0.082 0.000 1.149 83 Y CB 0.115 38.623 38.460 0.080 0.000 0.976 83 Y HN -0.478 7.969 8.280 0.278 0.000 0.505 84 L N -3.207 118.071 121.223 0.092 0.000 2.056 84 L HA -0.483 3.775 4.340 -0.137 0.000 0.207 84 L C 2.290 179.074 176.870 -0.143 0.000 1.078 84 L CA 2.944 57.750 54.840 -0.057 0.000 0.749 84 L CB -0.449 41.616 42.059 0.010 0.000 0.901 84 L HN -0.510 7.835 8.230 0.192 0.000 0.433 85 R N -1.267 119.201 120.500 -0.053 0.000 2.081 85 R HA -0.327 3.970 4.340 -0.072 0.000 0.235 85 R C 3.000 179.269 176.300 -0.052 0.000 1.131 85 R CA 3.325 59.397 56.100 -0.047 0.000 0.960 85 R CB -0.195 30.104 30.300 -0.002 0.000 0.856 85 R HN -0.412 7.855 8.270 -0.006 0.000 0.436 86 H N -0.008 118.972 119.070 -0.150 0.000 2.518 86 H HA -0.126 4.364 4.556 -0.111 0.000 0.289 86 H C 0.702 175.900 175.328 -0.216 0.000 1.051 86 H CA 2.339 58.291 56.048 -0.160 0.000 1.280 86 H CB 0.000 29.674 29.762 -0.146 0.000 1.380 86 H HN -0.242 8.077 8.280 0.064 0.000 0.566 87 R N -3.076 117.235 120.500 -0.314 0.000 2.426 87 R HA 0.114 4.265 4.340 -0.316 0.000 0.263 87 R C -0.935 175.215 176.300 -0.251 0.000 0.961 87 R CA -0.575 55.328 56.100 -0.328 0.000 1.086 87 R CB -0.041 30.020 30.300 -0.398 0.000 1.186 87 R HN -0.839 7.113 8.270 -0.307 0.134 0.537 88 Q N -5.027 114.650 119.800 -0.204 0.000 2.481 88 Q HA -0.396 3.925 4.340 -0.120 -0.053 0.258 88 Q C -0.386 175.528 176.000 -0.143 0.000 0.961 88 Q CA 1.106 56.824 55.803 -0.142 0.000 1.121 88 Q CB -2.119 26.552 28.738 -0.110 0.000 1.503 88 Q HN -0.069 7.914 8.270 -0.197 0.169 0.544 89 V N 0.476 120.254 119.914 -0.226 0.000 2.715 89 V HA -0.102 3.913 4.120 -0.174 0.000 0.299 89 V C -0.306 175.719 176.094 -0.115 0.000 1.054 89 V CA 0.613 62.785 62.300 -0.214 0.000 1.077 89 V CB 0.384 32.005 31.823 -0.337 0.000 0.972 89 V HN -0.678 7.297 8.190 -0.281 0.047 0.484 90 K N 6.780 127.133 120.400 -0.079 0.000 2.268 90 K HA 0.209 4.504 4.320 -0.042 0.000 0.276 90 K C -0.939 175.643 176.600 -0.031 0.000 1.080 90 K CA -1.069 55.191 56.287 -0.045 0.000 0.910 90 K CB -0.403 32.079 32.500 -0.030 0.000 1.163 90 K HN 0.159 8.361 8.250 -0.080 0.000 0.465 91 L N 4.711 125.920 121.223 -0.023 0.000 2.294 91 L HA 0.224 4.563 4.340 -0.001 0.000 0.283 91 L C -0.792 176.079 176.870 0.001 0.000 1.015 91 L CA -1.337 53.499 54.840 -0.007 0.000 0.831 91 L CB 0.485 42.541 42.059 -0.004 0.000 1.217 91 L HN 0.328 8.543 8.230 -0.025 0.000 0.420 92 V N 3.649 123.568 119.914 0.009 0.000 2.680 92 V HA 0.218 4.342 4.120 0.006 0.000 0.309 92 V C -0.488 175.614 176.094 0.014 0.000 1.052 92 V CA -1.221 61.085 62.300 0.010 0.000 0.908 92 V CB 2.874 34.703 31.823 0.009 0.000 1.001 92 V HN 0.141 8.339 8.190 0.014 0.000 0.431 93 N N 1.751 120.457 118.700 0.010 0.000 2.741 93 N HA -0.273 4.470 4.740 0.005 0.000 0.251 93 N C -1.351 174.165 175.510 0.010 0.000 1.112 93 N CA 1.199 54.255 53.050 0.008 0.000 0.750 93 N CB -0.147 38.345 38.487 0.010 0.000 1.119 93 N HN 0.226 8.611 8.380 0.007 0.000 0.561 94 I N -1.227 119.351 120.570 0.012 0.000 2.382 94 I HA 0.144 4.320 4.170 0.010 0.000 0.286 94 I C -1.434 174.689 176.117 0.009 0.000 1.002 94 I CA -1.002 60.306 61.300 0.013 0.000 1.135 94 I CB 0.968 38.982 38.000 0.023 0.000 1.288 94 I HN -0.560 7.610 8.210 0.012 0.047 0.448 95 R N 5.523 126.025 120.500 0.003 0.000 2.856 95 R HA 0.418 4.761 4.340 0.005 0.000 0.258 95 R C -0.386 175.914 176.300 -0.001 0.000 1.066 95 R CA -1.601 54.499 56.100 0.001 0.000 1.045 95 R CB 2.051 32.349 30.300 -0.005 0.000 1.178 95 R HN 0.206 8.805 8.270 0.000 -0.329 0.499 96 N N 0.664 119.363 118.700 -0.002 0.000 2.223 96 N HA -0.293 4.450 4.740 0.005 0.000 0.185 96 N C 1.254 176.755 175.510 -0.015 0.000 1.016 96 N CA 2.728 55.776 53.050 -0.003 0.000 0.863 96 N CB -0.775 37.712 38.487 0.001 0.000 0.983 96 N HN 0.568 8.947 8.380 -0.001 0.000 0.429 97 D N -0.511 119.873 120.400 -0.026 0.000 2.144 97 D HA -0.254 4.357 4.640 -0.048 0.000 0.200 97 D C 1.597 177.879 176.300 -0.031 0.000 0.978 97 D CA 3.657 57.634 54.000 -0.039 0.000 0.833 97 D CB -0.477 40.296 40.800 -0.045 0.000 0.961 97 D HN 0.262 8.595 8.370 -0.025 0.022 0.470 98 D N -1.151 119.236 120.400 -0.023 0.000 2.149 98 D HA -0.223 4.399 4.640 -0.029 0.000 0.198 98 D C 1.546 177.836 176.300 -0.017 0.000 0.990 98 D CA 3.399 57.385 54.000 -0.022 0.000 0.839 98 D CB -0.200 40.591 40.800 -0.015 0.000 0.948 98 D HN -0.584 7.766 8.370 -0.019 0.008 0.460 99 I N -1.243 119.325 120.570 -0.004 0.000 2.333 99 I HA -0.089 4.090 4.170 0.016 0.000 0.246 99 I C 2.841 178.960 176.117 0.003 0.000 1.106 99 I CA 0.462 61.768 61.300 0.010 0.000 1.411 99 I CB -0.941 37.073 38.000 0.023 0.000 1.082 99 I HN -0.887 7.322 8.210 -0.003 0.000 0.420 100 A N 0.467 123.280 122.820 -0.012 0.000 2.019 100 A HA -0.215 4.314 4.320 -0.017 -0.219 0.219 100 A C 1.165 178.736 177.584 -0.022 0.000 1.164 100 A CA 2.627 54.651 52.037 -0.021 0.000 0.644 100 A CB -0.169 18.807 19.000 -0.039 0.000 0.805 100 A HN -0.175 7.966 8.150 -0.015 0.000 0.449 101 D N -5.747 114.638 120.400 -0.025 0.000 2.350 101 D HA -0.008 4.616 4.640 -0.026 0.000 0.213 101 D C 0.557 176.845 176.300 -0.020 0.000 1.031 101 D CA 0.262 54.246 54.000 -0.027 0.000 0.861 101 D CB 0.520 41.298 40.800 -0.036 0.000 0.926 101 D HN -0.447 7.881 8.370 -0.026 0.027 0.520 102 G N -1.092 107.701 108.800 -0.013 0.000 2.142 102 G HA2 -0.426 3.550 3.960 0.027 0.000 0.225 102 G HA3 -0.426 3.542 3.960 0.013 0.000 0.225 102 G C -0.615 174.227 174.900 -0.096 0.000 1.015 102 G CA 0.249 45.344 45.100 -0.007 0.000 0.716 102 G HN -0.666 7.514 8.290 -0.009 0.104 0.508 103 N N 0.928 119.566 118.700 -0.103 0.000 2.434 103 N HA -0.020 4.625 4.740 -0.158 0.000 0.268 103 N C -0.523 174.802 175.510 -0.308 0.000 1.256 103 N CA -1.683 51.272 53.050 -0.159 0.000 0.914 103 N CB 1.482 39.914 38.487 -0.092 0.000 1.088 103 N HN -0.607 7.732 8.380 -0.067 0.000 0.478 104 P HA -0.298 2.933 4.420 -1.982 0.000 0.213 104 P C 1.093 178.148 177.300 -0.408 0.000 1.170 104 P CA 2.580 65.055 63.100 -1.041 0.000 0.898 104 P CB 0.150 31.345 31.700 -0.842 0.000 0.787 105 K N -2.769 117.510 120.400 -0.202 0.000 2.097 105 K HA -0.304 3.995 4.320 -0.036 0.000 0.206 105 K C 1.852 178.443 176.600 -0.016 0.000 1.049 105 K CA 3.368 59.614 56.287 -0.067 0.000 0.933 105 K CB -0.599 31.871 32.500 -0.049 0.000 0.717 105 K HN 0.205 8.335 8.250 -0.200 0.000 0.442 106 L N -3.207 117.996 121.223 -0.033 0.000 2.240 106 L HA -0.062 4.297 4.340 0.032 0.000 0.211 106 L C 2.195 179.095 176.870 0.050 0.000 1.106 106 L CA 2.477 57.324 54.840 0.012 0.000 0.793 106 L CB -0.233 41.824 42.059 -0.003 0.000 0.927 106 L HN -0.296 7.893 8.230 -0.069 0.000 0.446 107 T N 2.805 117.384 114.554 0.040 0.000 2.737 107 T HA -0.367 4.053 4.350 0.117 0.000 0.265 107 T C 2.011 176.846 174.700 0.224 0.000 1.038 107 T CA 5.164 67.341 62.100 0.129 0.000 1.144 107 T CB -0.093 68.872 68.868 0.162 0.000 0.866 107 T HN -0.326 7.899 8.240 -0.024 0.000 0.434 108 L N -0.326 121.056 121.223 0.266 0.000 2.042 108 L HA -0.399 4.251 4.340 0.517 0.000 0.210 108 L C 2.118 179.205 176.870 0.362 0.000 1.076 108 L CA 3.091 58.156 54.840 0.375 0.000 0.749 108 L CB -0.586 41.634 42.059 0.268 0.000 0.893 108 L HN -0.113 8.244 8.230 0.212 0.000 0.432 109 G N -1.845 107.091 108.800 0.226 0.000 2.418 109 G HA2 -0.372 3.746 3.960 0.263 0.000 0.217 109 G HA3 -0.372 3.681 3.960 0.154 0.000 0.217 109 G C 0.953 175.968 174.900 0.192 0.000 1.158 109 G CA 1.849 47.076 45.100 0.212 0.000 0.771 109 G HN -0.428 7.963 8.290 0.169 0.000 0.545 110 L N 1.636 122.943 121.223 0.140 0.000 2.005 110 L HA -0.265 4.120 4.340 0.074 0.000 0.207 110 L C 1.837 178.745 176.870 0.063 0.000 1.072 110 L CA 2.881 57.776 54.840 0.093 0.000 0.744 110 L CB 0.082 42.193 42.059 0.087 0.000 0.895 110 L HN -0.576 7.737 8.230 0.140 0.000 0.433 111 I N -2.315 118.300 120.570 0.075 0.000 2.226 111 I HA -0.454 3.684 4.170 -0.053 0.000 0.245 111 I C 1.810 177.742 176.117 -0.308 0.000 1.100 111 I CA 2.208 63.461 61.300 -0.079 0.000 1.374 111 I CB -1.239 36.738 38.000 -0.038 0.000 1.057 111 I HN -0.440 7.853 8.210 0.139 0.000 0.413 112 W N 0.638 121.693 121.300 -0.408 0.000 2.338 112 W HA -0.497 3.721 4.660 -0.737 0.000 0.304 112 W C 1.793 178.159 176.519 -0.254 0.000 1.212 112 W CA 3.123 60.219 57.345 -0.415 0.000 1.264 112 W CB 0.161 29.575 29.460 -0.075 0.000 1.142 112 W HN 0.058 8.335 8.180 0.163 0.000 0.512 113 T N 1.739 116.175 114.554 -0.196 0.000 2.720 113 T HA -0.466 3.669 4.350 -0.358 0.000 0.268 113 T C 2.101 176.659 174.700 -0.236 0.000 1.037 113 T CA 5.783 67.737 62.100 -0.244 0.000 1.144 113 T CB -0.337 68.493 68.868 -0.063 0.000 0.864 113 T HN -0.474 7.686 8.240 -0.001 0.079 0.444 114 I N 1.149 121.637 120.570 -0.138 0.000 2.252 114 I HA -0.460 3.831 4.170 0.202 0.000 0.245 114 I C 1.588 177.685 176.117 -0.033 0.000 1.102 114 I CA 4.270 65.603 61.300 0.056 0.000 1.385 114 I CB -0.230 37.840 38.000 0.117 0.000 1.064 114 I HN -0.547 7.585 8.210 -0.131 0.000 0.414 115 I N -0.343 119.936 120.570 -0.485 0.000 2.252 115 I HA -0.517 3.291 4.170 -0.603 0.000 0.245 115 I C 2.047 177.830 176.117 -0.556 0.000 1.102 115 I CA 4.256 65.125 61.300 -0.719 0.000 1.385 115 I CB -0.178 37.120 38.000 -1.169 0.000 1.064 115 I HN -0.430 7.420 8.210 -0.599 0.000 0.414 116 L N -0.121 120.626 121.223 -0.794 0.000 2.017 116 L HA -0.468 3.428 4.340 -0.739 0.000 0.208 116 L C 1.290 177.927 176.870 -0.389 0.000 1.073 116 L CA 3.365 57.767 54.840 -0.730 0.000 0.745 116 L CB -0.574 40.920 42.059 -0.942 0.000 0.894 116 L HN -0.085 7.577 8.230 -0.947 0.000 0.432 117 H N -0.819 118.020 119.070 -0.385 0.000 2.357 117 H HA -0.285 4.054 4.556 -0.363 0.000 0.301 117 H C 1.343 176.421 175.328 -0.418 0.000 1.082 117 H CA 3.253 59.064 56.048 -0.396 0.000 1.342 117 H CB 0.424 29.906 29.762 -0.467 0.000 1.389 117 H HN -0.409 7.753 8.280 -0.196 0.000 0.511 118 F N -4.164 115.752 119.950 -0.057 0.000 2.656 118 F HA -0.043 4.434 4.527 -0.083 0.000 0.291 118 F C 0.830 176.602 175.800 -0.046 0.000 1.122 118 F CA 2.330 60.314 58.000 -0.027 0.000 1.427 118 F CB 1.145 40.202 39.000 0.094 0.000 1.125 118 F HN -0.410 7.979 8.300 0.149 0.000 0.583 119 Q N -0.785 119.060 119.800 0.075 0.000 2.532 119 Q HA 0.031 4.437 4.340 0.109 0.000 0.247 119 Q C 1.164 177.117 176.000 -0.078 0.000 0.872 119 Q CA 1.711 57.552 55.803 0.063 0.000 0.963 119 Q CB 2.205 31.048 28.738 0.175 0.000 1.159 119 Q HN -0.049 8.214 8.270 -0.012 0.000 0.598 120 I N -1.841 118.614 120.570 -0.192 0.000 2.867 120 I HA 0.001 4.037 4.170 -0.223 0.000 0.265 120 I C 1.197 177.169 176.117 -0.241 0.000 1.162 120 I CA 1.889 63.045 61.300 -0.239 0.000 1.471 120 I CB 1.362 39.179 38.000 -0.305 0.000 1.123 120 I HN -0.656 7.411 8.210 -0.238 0.000 0.440 121 S N 0.007 115.558 115.700 -0.249 0.000 2.603 121 S HA -0.158 4.188 4.470 -0.206 0.000 0.220 121 S C 0.895 175.374 174.600 -0.202 0.000 0.967 121 S CA 1.636 59.697 58.200 -0.233 0.000 0.920 121 S CB 0.029 63.068 63.200 -0.268 0.000 0.773 121 S HN -0.514 7.636 8.310 -0.267 0.000 0.529 122 D N -0.082 120.209 120.400 -0.181 0.000 2.349 122 D HA 0.046 4.613 4.640 -0.122 0.000 0.224 122 D C 0.095 176.335 176.300 -0.100 0.000 1.029 122 D CA 0.568 54.495 54.000 -0.121 0.000 0.879 122 D CB 0.126 40.882 40.800 -0.074 0.000 0.906 122 D HN 0.097 8.321 8.370 -0.180 0.039 0.528 123 I N 0.641 121.092 120.570 -0.198 0.000 2.775 123 I HA -0.371 3.583 4.170 -0.359 0.000 0.290 123 I C -1.803 174.227 176.117 -0.145 0.000 1.203 123 I CA 1.815 62.915 61.300 -0.332 0.000 1.433 123 I CB 0.068 37.718 38.000 -0.584 0.000 1.354 123 I HN -0.848 7.171 8.210 -0.230 0.053 0.579 124 Q N 5.437 125.218 119.800 -0.032 0.000 2.274 124 Q HA 0.225 4.580 4.340 0.026 0.000 0.268 124 Q C -1.856 174.231 176.000 0.145 0.000 1.015 124 Q CA -0.534 55.303 55.803 0.057 0.000 0.775 124 Q CB 2.980 31.762 28.738 0.075 0.000 1.256 124 Q HN -0.373 7.914 8.270 0.029 0.000 0.442 125 V N 3.348 123.343 119.914 0.136 0.000 2.588 125 V HA 0.291 4.583 4.120 0.287 0.000 0.304 125 V C -0.837 175.350 176.094 0.155 0.000 1.042 125 V CA -1.522 60.906 62.300 0.213 0.000 0.877 125 V CB 3.229 35.199 31.823 0.245 0.000 0.996 125 V HN 0.201 8.449 8.190 0.097 0.000 0.425 126 S N 4.040 119.836 115.700 0.159 0.000 2.549 126 S HA -0.133 4.393 4.470 0.094 0.000 0.283 126 S C 0.934 175.592 174.600 0.098 0.000 1.320 126 S CA 0.678 58.944 58.200 0.110 0.000 1.058 126 S CB 0.537 63.797 63.200 0.099 0.000 0.882 126 S HN 0.489 8.912 8.310 0.188 0.000 0.498 127 G N 2.225 111.069 108.800 0.073 0.000 2.159 127 G HA2 -0.321 3.670 3.960 0.052 0.000 0.227 127 G HA3 -0.321 3.678 3.960 0.065 0.000 0.227 127 G C -0.490 174.446 174.900 0.060 0.000 0.986 127 G CA -0.080 45.057 45.100 0.062 0.000 0.651 127 G HN 0.435 8.764 8.290 0.066 0.000 0.523 128 Q N 0.599 120.436 119.800 0.062 0.000 2.255 128 Q HA -0.278 4.096 4.340 0.057 0.000 0.280 128 Q C 0.562 176.586 176.000 0.039 0.000 1.068 128 Q CA 0.362 56.197 55.803 0.052 0.000 0.911 128 Q CB 0.534 29.300 28.738 0.047 0.000 1.157 128 Q HN -0.375 7.889 8.270 0.067 0.046 0.380 129 S N 6.239 121.960 115.700 0.035 0.000 2.632 129 S HA 0.022 4.507 4.470 0.024 0.000 0.267 129 S C 0.019 174.632 174.600 0.021 0.000 1.276 129 S CA -0.524 57.691 58.200 0.026 0.000 0.998 129 S CB 0.759 63.974 63.200 0.025 0.000 0.953 129 S HN 0.275 8.608 8.310 0.039 0.000 0.547 130 E N 0.156 120.365 120.200 0.015 0.000 2.400 130 E HA -0.060 4.294 4.350 0.007 0.000 0.195 130 E C 0.132 176.736 176.600 0.007 0.000 1.012 130 E CA 1.134 57.539 56.400 0.009 0.000 0.875 130 E CB -0.113 29.591 29.700 0.006 0.000 0.859 130 E HN 0.501 8.870 8.360 0.015 0.000 0.498 131 D N -3.233 117.173 120.400 0.011 0.000 2.340 131 D HA -0.092 4.552 4.640 0.007 0.000 0.220 131 D C -0.303 176.006 176.300 0.015 0.000 1.039 131 D CA -0.241 53.766 54.000 0.011 0.000 0.866 131 D CB -0.663 40.145 40.800 0.012 0.000 0.913 131 D HN 0.052 8.430 8.370 0.013 0.000 0.523 132 M N 0.801 120.412 119.600 0.018 0.000 2.228 132 M HA -0.132 4.542 4.480 0.031 -0.175 0.351 132 M C 0.225 176.536 176.300 0.017 0.000 1.233 132 M CA 0.994 56.309 55.300 0.026 0.000 1.129 132 M CB 1.017 33.638 32.600 0.034 0.000 1.604 132 M HN -0.898 7.354 8.290 0.018 0.049 0.457 133 T N 4.455 119.025 114.554 0.027 0.000 2.898 133 T HA 0.044 4.399 4.350 0.009 0.000 0.301 133 T C 0.911 175.621 174.700 0.017 0.000 1.049 133 T CA 1.294 63.408 62.100 0.023 0.000 1.095 133 T CB 2.354 71.250 68.868 0.047 0.000 0.976 133 T HN -0.291 8.208 8.240 0.037 -0.237 0.539 134 A N 5.817 128.629 122.820 -0.014 0.000 1.883 134 A HA -0.262 4.019 4.320 -0.065 0.000 0.217 134 A C 1.734 179.317 177.584 -0.002 0.000 1.186 134 A CA 3.899 55.908 52.037 -0.047 0.000 0.624 134 A CB -0.354 18.584 19.000 -0.102 0.000 0.822 134 A HN 0.678 8.814 8.150 -0.024 0.000 0.444 135 K N -2.011 118.420 120.400 0.052 0.000 2.063 135 K HA -0.307 4.080 4.320 0.112 0.000 0.208 135 K C 2.202 178.955 176.600 0.256 0.000 1.048 135 K CA 3.309 59.687 56.287 0.151 0.000 0.928 135 K CB -0.481 32.128 32.500 0.181 0.000 0.713 135 K HN 0.237 8.516 8.250 0.048 0.000 0.442 136 E N -1.766 118.532 120.200 0.163 0.000 2.106 136 E HA -0.301 4.152 4.350 0.172 0.000 0.192 136 E C 2.470 179.156 176.600 0.145 0.000 0.984 136 E CA 3.106 59.595 56.400 0.148 0.000 0.806 136 E CB -0.301 29.456 29.700 0.095 0.000 0.750 136 E HN -0.575 7.764 8.360 0.120 0.093 0.458 137 K N -0.411 120.051 120.400 0.104 0.000 2.097 137 K HA -0.244 4.139 4.320 0.105 0.000 0.205 137 K C 2.432 179.120 176.600 0.147 0.000 1.050 137 K CA 3.347 59.688 56.287 0.090 0.000 0.938 137 K CB -0.056 32.448 32.500 0.008 0.000 0.718 137 K HN -0.275 8.021 8.250 0.077 0.000 0.442 138 L N -0.184 121.132 121.223 0.155 0.000 2.141 138 L HA -0.226 4.226 4.340 0.187 0.000 0.209 138 L C 1.380 178.579 176.870 0.549 0.000 1.094 138 L CA 2.908 57.916 54.840 0.280 0.000 0.763 138 L CB -0.189 41.965 42.059 0.159 0.000 0.908 138 L HN -0.386 7.919 8.230 0.124 0.000 0.437 139 L N -0.707 120.799 121.223 0.471 0.000 2.056 139 L HA -0.243 4.178 4.340 0.136 0.000 0.207 139 L C 1.377 178.359 176.870 0.187 0.000 1.078 139 L CA 2.952 57.918 54.840 0.210 0.000 0.749 139 L CB -0.483 41.586 42.059 0.018 0.000 0.901 139 L HN -0.452 8.033 8.230 0.425 0.000 0.433 140 L N -0.275 121.068 121.223 0.200 0.000 2.046 140 L HA -0.227 4.337 4.340 0.110 -0.157 0.208 140 L C 1.351 178.358 176.870 0.229 0.000 1.077 140 L CA 3.114 58.053 54.840 0.166 0.000 0.747 140 L CB -0.539 41.606 42.059 0.143 0.000 0.896 140 L HN -0.261 8.093 8.230 0.207 0.000 0.432 141 W N -0.384 120.991 121.300 0.125 0.000 2.338 141 W HA -0.500 4.254 4.660 0.156 0.000 0.304 141 W C 1.429 178.059 176.519 0.186 0.000 1.212 141 W CA 4.860 62.304 57.345 0.166 0.000 1.264 141 W CB -0.165 29.412 29.460 0.194 0.000 1.142 141 W HN -0.072 8.393 8.180 0.474 0.000 0.512 142 S N -0.589 115.327 115.700 0.361 0.000 2.356 142 S HA -0.536 3.944 4.470 0.016 0.000 0.223 142 S C 2.258 176.832 174.600 -0.044 0.000 1.032 142 S CA 3.549 61.855 58.200 0.176 0.000 1.005 142 S CB -0.269 63.217 63.200 0.478 0.000 0.867 142 S HN -0.347 8.294 8.310 0.551 0.000 0.449 143 Q N 0.491 120.290 119.800 -0.003 0.000 2.084 143 Q HA -0.305 3.987 4.340 -0.080 0.000 0.202 143 Q C 2.986 178.953 176.000 -0.055 0.000 0.978 143 Q CA 3.073 58.848 55.803 -0.046 0.000 0.844 143 Q CB -0.139 28.589 28.738 -0.017 0.000 0.898 143 Q HN -0.215 8.090 8.270 0.059 0.000 0.426 144 R N -0.612 119.855 120.500 -0.055 0.000 2.081 144 R HA -0.250 4.073 4.340 -0.028 0.000 0.235 144 R C 2.933 179.165 176.300 -0.113 0.000 1.131 144 R CA 2.914 58.976 56.100 -0.063 0.000 0.960 144 R CB -0.056 30.218 30.300 -0.043 0.000 0.856 144 R HN -0.260 7.991 8.270 -0.031 0.000 0.436 145 M N -2.505 116.937 119.600 -0.265 0.000 2.213 145 M HA -0.202 4.158 4.480 -0.201 0.000 0.263 145 M C 1.580 177.847 176.300 -0.055 0.000 1.062 145 M CA 2.040 57.185 55.300 -0.258 0.000 1.105 145 M CB -0.455 31.814 32.600 -0.552 0.000 1.385 145 M HN -0.166 7.902 8.290 -0.369 0.000 0.417 146 V N -10.038 109.842 119.914 -0.057 0.000 3.376 146 V HA 0.346 4.543 4.120 0.127 0.000 0.313 146 V C 0.297 176.507 176.094 0.194 0.000 1.393 146 V CA -2.261 60.066 62.300 0.044 0.000 1.125 146 V CB -0.804 30.920 31.823 -0.165 0.000 1.037 146 V HN -0.585 7.544 8.190 -0.102 0.000 0.440 147 E N 3.433 123.694 120.200 0.103 0.000 2.070 147 E HA -0.408 3.967 4.350 0.042 0.000 0.197 147 E C 1.070 177.707 176.600 0.063 0.000 1.004 147 E CA 2.845 59.282 56.400 0.061 0.000 0.805 147 E CB -0.312 29.399 29.700 0.018 0.000 0.744 147 E HN -0.858 7.482 8.360 0.058 0.055 0.451 148 G N -3.623 105.190 108.800 0.022 0.000 2.586 148 G HA2 -0.188 3.708 3.960 -0.106 0.000 0.215 148 G HA3 -0.188 3.601 3.960 -0.286 0.000 0.215 148 G C 0.065 174.848 174.900 -0.196 0.000 1.128 148 G CA 0.302 45.309 45.100 -0.155 0.000 0.774 148 G HN 0.093 8.411 8.290 0.046 0.000 0.543 149 Y N -0.734 119.573 120.300 0.010 0.000 2.360 149 Y HA 0.175 4.757 4.550 0.053 0.000 0.337 149 Y C 0.904 176.825 175.900 0.036 0.000 1.039 149 Y CA -1.483 56.642 58.100 0.041 0.000 1.109 149 Y CB 0.882 39.371 38.460 0.049 0.000 1.201 149 Y HN -0.882 7.494 8.280 0.265 0.064 0.458 150 Q N 6.606 126.503 119.800 0.161 0.000 1.921 150 Q HA -0.299 4.046 4.340 0.009 0.000 0.208 150 Q C 2.229 178.261 176.000 0.053 0.000 0.994 150 Q CA 2.363 58.185 55.803 0.032 0.000 0.857 150 Q CB -0.619 28.059 28.738 -0.100 0.000 0.925 150 Q HN 0.572 8.949 8.270 0.178 0.000 0.421 151 G N -1.831 107.027 108.800 0.097 0.000 2.882 151 G HA2 -0.106 3.867 3.960 0.022 0.000 0.206 151 G HA3 -0.106 3.924 3.960 0.116 0.000 0.206 151 G C -0.888 174.042 174.900 0.050 0.000 1.155 151 G CA -0.285 44.861 45.100 0.076 0.000 0.800 151 G HN 0.211 8.595 8.290 0.156 0.000 0.524 152 L N -1.147 120.104 121.223 0.045 0.000 2.322 152 L HA 0.179 4.485 4.340 -0.057 0.000 0.281 152 L C -0.953 175.873 176.870 -0.073 0.000 1.014 152 L CA -0.683 54.139 54.840 -0.030 0.000 0.815 152 L CB 1.046 43.075 42.059 -0.050 0.000 1.247 152 L HN -0.862 7.349 8.230 0.066 0.058 0.421 153 R N 3.241 123.662 120.500 -0.131 0.000 2.686 153 R HA 0.173 4.437 4.340 -0.126 0.000 0.283 153 R C -1.632 174.520 176.300 -0.247 0.000 0.978 153 R CA -0.647 55.364 56.100 -0.147 0.000 0.897 153 R CB 2.903 33.141 30.300 -0.102 0.000 1.192 153 R HN 0.075 8.256 8.270 -0.149 0.000 0.457 154 C N 5.941 125.092 119.300 -0.250 0.000 2.206 154 C HA 0.194 4.387 4.460 -0.445 0.000 0.324 154 C C -0.678 174.188 174.990 -0.207 0.000 1.120 154 C CA -0.793 58.031 59.018 -0.323 0.000 1.546 154 C CB -1.558 25.981 27.740 -0.334 0.000 2.023 154 C HN 0.567 8.680 8.230 -0.195 0.000 0.448 155 D N 6.810 127.101 120.400 -0.182 0.000 2.355 155 D HA 0.156 4.738 4.640 -0.097 0.000 0.206 155 D C -0.660 175.580 176.300 -0.100 0.000 1.010 155 D CA 1.416 55.350 54.000 -0.111 0.000 0.875 155 D CB 1.029 41.783 40.800 -0.076 0.000 0.966 155 D HN 0.172 8.420 8.370 -0.203 0.000 0.512 156 N N -5.546 113.089 118.700 -0.109 0.000 3.179 156 N HA 0.042 4.711 4.740 -0.118 0.000 0.250 156 N C -1.961 173.567 175.510 0.029 0.000 1.507 156 N CA -0.693 52.322 53.050 -0.057 0.000 0.883 156 N CB 1.068 39.581 38.487 0.043 0.000 1.435 156 N HN -1.058 7.247 8.380 -0.125 0.000 0.532 157 F N -4.106 116.019 119.950 0.291 0.000 2.819 157 F HA 0.374 5.099 4.527 0.330 0.000 0.294 157 F C -0.496 175.398 175.800 0.157 0.000 1.166 157 F CA -0.269 57.865 58.000 0.224 0.000 1.374 157 F CB -0.344 38.680 39.000 0.041 0.000 0.956 157 F HN 0.698 9.162 8.300 0.274 0.000 0.509 158 T N -3.538 111.244 114.554 0.381 0.000 2.977 158 T HA 0.134 4.623 4.350 0.231 0.000 0.152 158 T C 1.759 176.624 174.700 0.276 0.000 0.867 158 T CA 1.391 63.645 62.100 0.256 0.000 0.917 158 T CB 0.306 69.261 68.868 0.144 0.000 2.051 158 T HN -0.493 7.902 8.240 0.364 0.063 0.350 159 T N 1.509 116.160 114.554 0.162 0.000 2.881 159 T HA -0.244 4.170 4.350 0.106 0.000 0.270 159 T C 2.045 176.783 174.700 0.064 0.000 1.068 159 T CA 3.822 65.983 62.100 0.101 0.000 1.131 159 T CB -0.863 68.033 68.868 0.046 0.000 0.871 159 T HN 0.327 8.645 8.240 0.130 0.000 0.479 160 S N 2.677 118.393 115.700 0.027 0.000 2.440 160 S HA -0.228 4.129 4.470 -0.188 0.000 0.238 160 S C 0.515 174.906 174.600 -0.349 0.000 1.010 160 S CA 2.771 60.844 58.200 -0.211 0.000 0.972 160 S CB -0.356 62.611 63.200 -0.388 0.000 0.774 160 S HN 0.154 8.495 8.310 0.079 0.017 0.501 161 W N -3.453 117.803 121.300 -0.074 0.000 3.278 161 W HA 0.136 4.645 4.660 -0.252 0.000 0.308 161 W C 0.974 177.486 176.519 -0.012 0.000 1.253 161 W CA 0.179 57.442 57.345 -0.136 0.000 1.759 161 W CB 0.043 29.420 29.460 -0.139 0.000 1.093 161 W HN -0.530 7.808 8.180 0.333 0.042 0.648 162 R N 1.617 122.226 120.500 0.182 0.000 2.115 162 R HA -0.321 4.283 4.340 0.213 -0.136 0.230 162 R C 0.255 176.622 176.300 0.113 0.000 1.111 162 R CA 3.278 59.474 56.100 0.159 0.000 0.976 162 R CB 0.066 30.427 30.300 0.101 0.000 0.870 162 R HN -0.891 7.457 8.270 0.130 0.000 0.445 163 D N -5.791 114.640 120.400 0.052 0.000 2.340 163 D HA -0.007 4.737 4.640 0.027 -0.088 0.220 163 D C 0.665 176.974 176.300 0.015 0.000 1.039 163 D CA -0.986 53.025 54.000 0.018 0.000 0.866 163 D CB -0.490 40.300 40.800 -0.016 0.000 0.913 163 D HN -0.189 8.171 8.370 0.021 0.023 0.523 164 G N 0.318 109.168 108.800 0.082 0.000 2.212 164 G HA2 -0.564 3.607 3.960 0.352 0.000 0.266 164 G HA3 -0.564 3.431 3.960 0.058 0.000 0.266 164 G C 0.539 175.460 174.900 0.035 0.000 0.978 164 G CA 1.483 46.663 45.100 0.133 0.000 0.632 164 G HN -0.360 7.960 8.290 0.130 0.048 0.537 165 R N 0.815 121.260 120.500 -0.092 0.000 2.075 165 R HA -0.299 3.918 4.340 -0.206 0.000 0.232 165 R C 1.274 177.433 176.300 -0.234 0.000 1.126 165 R CA 3.415 59.398 56.100 -0.195 0.000 0.963 165 R CB -0.096 30.063 30.300 -0.236 0.000 0.858 165 R HN -0.519 7.929 8.270 -0.099 -0.237 0.435 166 L N -1.835 119.195 121.223 -0.322 0.000 2.012 166 L HA -0.332 3.751 4.340 -0.429 0.000 0.210 166 L C 2.034 178.810 176.870 -0.156 0.000 1.073 166 L CA 3.155 57.729 54.840 -0.444 0.000 0.748 166 L CB -0.914 40.548 42.059 -0.995 0.000 0.891 166 L HN -0.064 7.956 8.230 -0.352 0.000 0.431 167 F N -2.842 117.202 119.950 0.155 0.000 2.134 167 F HA -0.412 4.395 4.527 0.467 0.000 0.299 167 F C 2.206 178.085 175.800 0.132 0.000 1.097 167 F CA 3.709 61.897 58.000 0.313 0.000 1.264 167 F CB -0.762 38.454 39.000 0.360 0.000 1.001 167 F HN -0.248 8.072 8.300 0.032 0.000 0.479 168 N N -1.021 117.796 118.700 0.194 0.000 2.120 168 N HA -0.392 4.420 4.740 0.120 0.000 0.188 168 N C 1.752 177.253 175.510 -0.014 0.000 1.024 168 N CA 3.625 56.713 53.050 0.063 0.000 0.852 168 N CB 0.023 38.484 38.487 -0.043 0.000 1.003 168 N HN -0.725 7.747 8.380 0.153 0.000 0.424 169 A N 0.737 123.448 122.820 -0.182 0.000 1.930 169 A HA -0.170 3.842 4.320 -0.514 0.000 0.217 169 A C 2.025 179.452 177.584 -0.262 0.000 1.175 169 A CA 2.872 54.629 52.037 -0.467 0.000 0.627 169 A CB -0.444 18.071 19.000 -0.808 0.000 0.815 169 A HN -0.142 7.891 8.150 -0.196 0.000 0.443 170 I N -1.430 119.094 120.570 -0.076 0.000 2.226 170 I HA -0.509 3.633 4.170 -0.047 0.000 0.245 170 I C 2.045 178.247 176.117 0.141 0.000 1.100 170 I CA 4.445 65.766 61.300 0.035 0.000 1.374 170 I CB 0.105 38.205 38.000 0.167 0.000 1.057 170 I HN -0.500 7.689 8.210 -0.036 0.000 0.413 171 I N -0.997 119.685 120.570 0.187 0.000 2.353 171 I HA -0.580 3.716 4.170 0.211 0.000 0.248 171 I C 1.469 177.723 176.117 0.228 0.000 1.119 171 I CA 3.995 65.422 61.300 0.212 0.000 1.417 171 I CB -0.151 37.972 38.000 0.205 0.000 1.078 171 I HN -0.772 7.551 8.210 0.190 0.000 0.421 172 H N 1.986 121.120 119.070 0.106 0.000 2.321 172 H HA -0.317 4.316 4.556 0.128 0.000 0.300 172 H C 1.803 177.238 175.328 0.179 0.000 1.087 172 H CA 3.835 59.960 56.048 0.128 0.000 1.319 172 H CB 0.402 30.229 29.762 0.110 0.000 1.379 172 H HN -0.255 8.173 8.280 0.247 0.000 0.501 173 R N -2.486 118.148 120.500 0.222 0.000 2.105 173 R HA -0.294 4.173 4.340 0.212 0.000 0.239 173 R C 1.864 178.216 176.300 0.087 0.000 1.135 173 R CA 1.783 57.997 56.100 0.191 0.000 0.967 173 R CB -0.752 29.678 30.300 0.217 0.000 0.861 173 R HN -0.492 7.934 8.270 0.260 0.000 0.442 174 H N -3.625 115.468 119.070 0.038 0.000 2.372 174 H HA -0.046 4.537 4.556 0.045 0.000 0.301 174 H C 0.187 175.521 175.328 0.010 0.000 1.065 174 H CA 1.945 58.019 56.048 0.043 0.000 1.364 174 H CB 1.585 31.402 29.762 0.092 0.000 1.406 174 H HN -0.565 7.853 8.280 0.259 0.018 0.521 175 K N -1.837 118.572 120.400 0.015 0.000 2.764 175 K HA 0.435 4.677 4.320 -0.130 0.000 0.239 175 K C -2.200 174.352 176.600 -0.080 0.000 1.048 175 K CA -2.706 53.549 56.287 -0.054 0.000 1.057 175 K CB 1.011 33.536 32.500 0.042 0.000 1.251 175 K HN -0.381 7.943 8.250 0.123 0.000 0.524 176 P HA -0.186 3.845 4.420 -0.773 -0.074 0.220 176 P C 1.160 178.437 177.300 -0.039 0.000 1.144 176 P CA 2.110 64.978 63.100 -0.387 0.000 0.800 176 P CB 0.283 31.739 31.700 -0.407 0.000 0.772 177 M N -2.807 116.788 119.600 -0.007 0.000 2.213 177 M HA -0.189 4.319 4.480 0.047 0.000 0.263 177 M C 0.647 176.991 176.300 0.075 0.000 1.062 177 M CA 2.301 57.626 55.300 0.040 0.000 1.105 177 M CB -0.447 32.167 32.600 0.024 0.000 1.385 177 M HN -0.168 8.062 8.290 -0.031 0.042 0.417 178 L N -4.278 116.998 121.223 0.087 0.000 2.395 178 L HA -0.029 4.363 4.340 0.087 0.000 0.218 178 L C -0.318 176.626 176.870 0.123 0.000 1.130 178 L CA 0.561 55.463 54.840 0.103 0.000 0.826 178 L CB 0.118 42.246 42.059 0.115 0.000 0.941 178 L HN -0.605 7.642 8.230 0.078 0.029 0.451 179 I N -2.928 117.747 120.570 0.175 0.000 2.534 179 I HA 0.055 4.295 4.170 0.117 0.000 0.288 179 I C -1.760 174.467 176.117 0.184 0.000 1.077 179 I CA -2.208 59.196 61.300 0.175 0.000 1.051 179 I CB 2.599 40.725 38.000 0.211 0.000 1.234 179 I HN -0.912 7.380 8.210 0.209 0.043 0.425 180 D N 7.831 128.288 120.400 0.094 0.000 2.441 180 D HA 0.124 4.821 4.640 0.095 0.000 0.221 180 D C 0.356 176.656 176.300 0.000 0.000 1.156 180 D CA -1.329 52.710 54.000 0.066 0.000 0.896 180 D CB 0.501 41.334 40.800 0.055 0.000 1.028 180 D HN 0.303 8.716 8.370 0.072 0.000 0.509 181 M N 4.153 123.714 119.600 -0.066 0.000 2.267 181 M HA -0.441 3.921 4.480 -0.196 0.000 0.263 181 M C 1.365 177.686 176.300 0.035 0.000 1.063 181 M CA 1.460 56.684 55.300 -0.127 0.000 1.090 181 M CB -0.497 31.966 32.600 -0.229 0.000 1.392 181 M HN 0.038 8.277 8.290 -0.084 0.000 0.422 182 N N -1.408 117.354 118.700 0.103 0.000 2.106 182 N HA -0.274 4.643 4.740 0.295 0.000 0.188 182 N C 1.585 177.175 175.510 0.133 0.000 1.029 182 N CA 2.860 56.012 53.050 0.171 0.000 0.848 182 N CB -0.379 38.166 38.487 0.096 0.000 1.007 182 N HN -0.296 8.311 8.380 0.071 -0.184 0.423 183 K N 0.587 121.024 120.400 0.061 0.000 2.113 183 K HA -0.249 4.095 4.320 0.040 0.000 0.208 183 K C 2.836 179.434 176.600 -0.002 0.000 1.047 183 K CA 2.709 59.015 56.287 0.032 0.000 0.928 183 K CB -0.044 32.468 32.500 0.019 0.000 0.716 183 K HN -0.871 7.586 8.250 0.052 -0.176 0.446 184 V N -0.284 119.589 119.914 -0.068 0.000 2.343 184 V HA -0.359 3.862 4.120 -0.119 -0.172 0.247 184 V C 2.640 178.631 176.094 -0.173 0.000 1.051 184 V CA 4.152 66.351 62.300 -0.169 0.000 1.036 184 V CB -0.310 31.328 31.823 -0.310 0.000 0.654 184 V HN -0.610 7.440 8.190 -0.072 0.097 0.451 185 Y N -3.832 116.454 120.300 -0.024 0.000 2.497 185 Y HA -0.319 4.215 4.550 -0.026 0.000 0.292 185 Y C 0.608 176.498 175.900 -0.017 0.000 1.137 185 Y CA 2.428 60.515 58.100 -0.022 0.000 1.285 185 Y CB -0.391 38.057 38.460 -0.020 0.000 0.991 185 Y HN -0.846 7.419 8.280 -0.018 0.005 0.556 186 R N -4.643 115.921 120.500 0.106 0.000 2.508 186 R HA 0.151 4.532 4.340 0.067 0.000 0.300 186 R C 0.107 176.423 176.300 0.028 0.000 0.970 186 R CA -0.741 55.396 56.100 0.063 0.000 1.102 186 R CB 0.252 30.585 30.300 0.055 0.000 1.246 186 R HN -0.684 7.500 8.270 0.087 0.138 0.539 187 Q N 0.587 120.392 119.800 0.009 0.000 2.199 187 Q HA 0.202 4.542 4.340 0.001 0.000 0.232 187 Q C -0.156 175.839 176.000 -0.008 0.000 0.969 187 Q CA -0.541 55.259 55.803 -0.005 0.000 0.925 187 Q CB 2.741 31.467 28.738 -0.021 0.000 1.198 187 Q HN -0.745 7.525 8.270 0.001 0.000 0.494 188 T N -1.003 113.546 114.554 -0.009 0.000 2.788 188 T HA 0.022 4.371 4.350 -0.003 0.000 0.287 188 T C 1.065 175.755 174.700 -0.017 0.000 1.007 188 T CA -1.220 60.875 62.100 -0.007 0.000 1.005 188 T CB 1.469 70.334 68.868 -0.004 0.000 1.012 188 T HN 0.010 8.508 8.240 -0.009 -0.263 0.530 189 N N 1.361 120.055 118.700 -0.010 0.000 2.069 189 N HA -0.294 4.620 4.740 -0.015 -0.182 0.191 189 N C 2.302 177.797 175.510 -0.025 0.000 1.031 189 N CA 3.608 56.652 53.050 -0.010 0.000 0.852 189 N CB -0.788 37.705 38.487 0.010 0.000 1.018 189 N HN 0.500 8.878 8.380 -0.003 0.000 0.423 190 L N 0.153 121.365 121.223 -0.019 0.000 2.046 190 L HA -0.311 4.012 4.340 -0.029 0.000 0.208 190 L C 1.855 178.694 176.870 -0.052 0.000 1.077 190 L CA 2.944 57.768 54.840 -0.027 0.000 0.747 190 L CB -0.684 41.371 42.059 -0.007 0.000 0.896 190 L HN 0.112 8.336 8.230 -0.009 0.000 0.432 191 E N -0.585 119.590 120.200 -0.042 0.000 2.072 191 E HA -0.437 3.888 4.350 -0.043 0.000 0.191 191 E C 2.383 178.939 176.600 -0.074 0.000 0.985 191 E CA 3.510 59.882 56.400 -0.046 0.000 0.801 191 E CB -0.310 29.373 29.700 -0.028 0.000 0.750 191 E HN -0.589 7.753 8.360 -0.030 0.000 0.452 192 N N -0.080 118.573 118.700 -0.078 0.000 2.166 192 N HA -0.215 4.474 4.740 -0.086 0.000 0.186 192 N C 2.321 177.728 175.510 -0.171 0.000 1.019 192 N CA 2.878 55.870 53.050 -0.095 0.000 0.856 192 N CB -0.082 38.359 38.487 -0.076 0.000 0.993 192 N HN -0.423 7.919 8.380 -0.064 0.000 0.426 193 L N -0.548 120.533 121.223 -0.238 0.000 2.027 193 L HA -0.329 3.598 4.340 -0.689 0.000 0.206 193 L C 1.604 178.013 176.870 -0.769 0.000 1.074 193 L CA 3.739 58.224 54.840 -0.592 0.000 0.745 193 L CB -0.245 41.556 42.059 -0.430 0.000 0.898 193 L HN 0.003 8.130 8.230 -0.171 0.000 0.433 194 D N -1.624 118.569 120.400 -0.344 0.000 2.117 194 D HA -0.354 4.205 4.640 -0.134 0.000 0.197 194 D C 1.842 178.071 176.300 -0.119 0.000 0.987 194 D CA 3.581 57.477 54.000 -0.173 0.000 0.829 194 D CB 0.130 40.893 40.800 -0.063 0.000 0.961 194 D HN -0.514 7.715 8.370 -0.235 0.000 0.460 195 Q N -0.258 119.474 119.800 -0.112 0.000 2.061 195 Q HA -0.375 3.956 4.340 -0.016 0.000 0.204 195 Q C 1.997 177.978 176.000 -0.032 0.000 0.984 195 Q CA 3.297 59.071 55.803 -0.048 0.000 0.846 195 Q CB 0.067 28.782 28.738 -0.039 0.000 0.902 195 Q HN -0.294 7.902 8.270 -0.123 0.000 0.421 196 A N -0.167 122.593 122.820 -0.101 0.000 1.877 196 A HA -0.269 4.096 4.320 0.075 0.000 0.216 196 A C 2.090 179.750 177.584 0.128 0.000 1.186 196 A CA 3.010 55.047 52.037 -0.001 0.000 0.620 196 A CB -0.650 18.350 19.000 -0.001 0.000 0.822 196 A HN -0.314 7.729 8.150 -0.178 0.000 0.443 197 F N -2.553 117.377 119.950 -0.033 0.000 2.134 197 F HA -0.014 4.519 4.527 0.010 0.000 0.299 197 F C 2.915 178.725 175.800 0.016 0.000 1.097 197 F CA 0.420 58.395 58.000 -0.042 0.000 1.264 197 F CB -1.238 37.665 39.000 -0.161 0.000 1.001 197 F HN -0.152 7.945 8.300 -0.338 0.000 0.479 198 S N 0.700 116.510 115.700 0.183 0.000 2.368 198 S HA -0.356 4.183 4.470 0.114 0.000 0.224 198 S C 2.044 176.707 174.600 0.106 0.000 1.029 198 S CA 3.607 61.876 58.200 0.116 0.000 0.988 198 S CB 0.074 63.318 63.200 0.073 0.000 0.838 198 S HN -0.172 8.221 8.310 0.139 0.000 0.462 199 V N 2.994 122.971 119.914 0.106 0.000 2.295 199 V HA -0.408 3.765 4.120 0.087 0.000 0.246 199 V C 1.979 178.145 176.094 0.119 0.000 1.049 199 V CA 4.098 66.460 62.300 0.103 0.000 1.024 199 V CB -0.697 31.188 31.823 0.103 0.000 0.648 199 V HN -0.085 8.165 8.190 0.100 0.000 0.447 200 A N -1.387 121.529 122.820 0.159 0.000 1.940 200 A HA -0.382 4.014 4.320 0.127 0.000 0.219 200 A C 2.103 179.757 177.584 0.117 0.000 1.176 200 A CA 3.424 55.554 52.037 0.155 0.000 0.631 200 A CB -0.934 18.210 19.000 0.239 0.000 0.814 200 A HN -0.041 8.222 8.150 0.188 0.000 0.446 201 E N -0.747 119.526 120.200 0.122 0.000 2.028 201 E HA -0.278 4.277 4.350 0.071 -0.163 0.190 201 E C 2.486 179.121 176.600 0.059 0.000 0.984 201 E CA 2.514 58.963 56.400 0.081 0.000 0.800 201 E CB 0.110 29.857 29.700 0.078 0.000 0.758 201 E HN -0.454 7.992 8.360 0.143 0.000 0.448 202 R N -1.609 118.929 120.500 0.063 0.000 2.066 202 R HA -0.228 4.136 4.340 0.040 0.000 0.232 202 R C 1.863 178.192 176.300 0.049 0.000 1.131 202 R CA 2.767 58.897 56.100 0.049 0.000 0.955 202 R CB 0.108 30.439 30.300 0.051 0.000 0.851 202 R HN -0.294 8.020 8.270 0.074 0.000 0.432 203 D N -3.829 116.608 120.400 0.062 0.000 2.338 203 D HA 0.108 4.782 4.640 0.056 0.000 0.208 203 D C 0.736 177.075 176.300 0.065 0.000 0.997 203 D CA 2.016 56.055 54.000 0.064 0.000 0.880 203 D CB 1.705 42.551 40.800 0.077 0.000 0.980 203 D HN -0.026 8.386 8.370 0.071 0.000 0.509 204 L N -3.721 117.538 121.223 0.059 0.000 2.766 204 L HA 0.177 4.545 4.340 0.046 0.000 0.242 204 L C 0.027 176.908 176.870 0.019 0.000 1.136 204 L CA -0.862 54.001 54.840 0.040 0.000 0.933 204 L CB 0.994 43.064 42.059 0.020 0.000 1.241 204 L HN -0.707 7.561 8.230 0.064 0.000 0.522 205 G N -2.467 106.346 108.800 0.022 0.000 2.143 205 G HA2 -0.331 3.634 3.960 0.007 0.000 0.248 205 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.248 205 G C -0.343 174.555 174.900 -0.003 0.000 0.991 205 G CA 0.217 45.321 45.100 0.006 0.000 0.689 205 G HN -0.630 7.679 8.290 0.031 0.000 0.522 206 V N 2.296 122.218 119.914 0.014 0.000 2.348 206 V HA 0.132 4.241 4.120 -0.018 0.000 0.270 206 V C 0.068 176.193 176.094 0.052 0.000 1.037 206 V CA -1.019 61.286 62.300 0.008 0.000 0.872 206 V CB -0.486 31.328 31.823 -0.016 0.000 1.002 206 V HN -0.447 7.761 8.190 0.031 0.000 0.464 207 T N 9.063 123.632 114.554 0.026 0.000 2.933 207 T HA -0.244 4.114 4.350 0.013 0.000 0.306 207 T C -0.701 174.049 174.700 0.084 0.000 1.045 207 T CA 1.932 64.049 62.100 0.028 0.000 1.143 207 T CB 0.313 69.171 68.868 -0.017 0.000 1.003 207 T HN 0.316 8.553 8.240 -0.006 0.000 0.540 208 R N 6.736 127.246 120.500 0.017 0.000 2.357 208 R HA -0.105 4.128 4.340 -0.179 0.000 0.330 208 R C -0.092 176.122 176.300 -0.143 0.000 1.102 208 R CA 0.442 56.478 56.100 -0.106 0.000 0.974 208 R CB -0.928 29.320 30.300 -0.088 0.000 1.002 208 R HN 0.583 8.857 8.270 0.007 0.000 0.463 209 L N 2.427 123.531 121.223 -0.199 0.000 2.416 209 L HA -0.026 4.296 4.340 -0.030 0.000 0.216 209 L C -0.419 176.306 176.870 -0.243 0.000 1.098 209 L CA 0.588 55.359 54.840 -0.114 0.000 0.840 209 L CB 0.488 42.596 42.059 0.081 0.000 0.981 209 L HN 0.077 8.159 8.230 -0.247 0.000 0.462 210 L N -4.428 116.462 121.223 -0.556 0.000 2.346 210 L HA 0.112 4.286 4.340 -0.278 0.000 0.274 210 L C -1.432 175.208 176.870 -0.383 0.000 1.007 210 L CA -1.698 52.843 54.840 -0.497 0.000 0.818 210 L CB 2.364 43.973 42.059 -0.750 0.000 1.284 210 L HN -0.728 6.988 8.230 -0.857 0.000 0.424 211 D N 1.943 122.281 120.400 -0.105 0.000 2.210 211 D HA 0.406 5.089 4.640 0.072 0.000 0.249 211 D C -0.326 176.074 176.300 0.166 0.000 1.078 211 D CA -2.242 51.785 54.000 0.045 0.000 0.875 211 D CB 0.997 41.813 40.800 0.026 0.000 1.175 211 D HN 0.179 8.497 8.370 -0.086 0.000 0.440 212 P HA -0.303 4.250 4.420 0.222 0.000 0.217 212 P C 1.055 178.417 177.300 0.104 0.000 1.151 212 P CA 2.569 65.767 63.100 0.164 0.000 0.849 212 P CB 0.321 32.051 31.700 0.050 0.000 0.787 213 E N -6.600 113.645 120.200 0.074 0.000 2.204 213 E HA -0.223 4.156 4.350 0.049 0.000 0.195 213 E C 0.716 177.349 176.600 0.055 0.000 0.990 213 E CA 2.126 58.559 56.400 0.054 0.000 0.821 213 E CB -1.070 28.654 29.700 0.041 0.000 0.750 213 E HN 0.267 8.657 8.360 0.071 0.012 0.477 214 D N -3.702 116.734 120.400 0.059 0.000 2.348 214 D HA -0.027 4.633 4.640 0.033 0.000 0.211 214 D C 0.260 176.601 176.300 0.068 0.000 0.998 214 D CA 1.431 55.458 54.000 0.044 0.000 0.873 214 D CB 0.481 41.291 40.800 0.016 0.000 0.925 214 D HN -0.342 7.946 8.370 0.065 0.120 0.524 215 V N -1.839 118.147 119.914 0.120 0.000 2.795 215 V HA -0.035 4.182 4.120 0.162 0.000 0.243 215 V C 0.504 176.687 176.094 0.148 0.000 1.069 215 V CA 1.926 64.331 62.300 0.174 0.000 1.089 215 V CB 0.703 32.704 31.823 0.297 0.000 0.756 215 V HN -0.757 7.407 8.190 0.131 0.105 0.471 216 D N 1.990 122.456 120.400 0.111 0.000 2.600 216 D HA -0.022 4.672 4.640 0.089 0.000 0.226 216 D C -1.309 175.026 176.300 0.058 0.000 1.119 216 D CA 0.077 54.125 54.000 0.080 0.000 1.051 216 D CB -1.665 39.169 40.800 0.057 0.000 1.106 216 D HN -0.466 7.966 8.370 0.104 0.000 0.491 217 V N 1.253 121.203 119.914 0.060 0.000 3.120 217 V HA 0.155 4.294 4.120 0.033 0.000 0.303 217 V C -2.673 173.444 176.094 0.040 0.000 1.238 217 V CA -3.498 58.826 62.300 0.041 0.000 1.008 217 V CB 3.761 35.605 31.823 0.035 0.000 1.064 217 V HN -0.704 7.505 8.190 0.073 0.025 0.434 218 P HA -0.065 4.372 4.420 0.029 0.000 0.219 218 P C -1.154 176.162 177.300 0.027 0.000 1.150 218 P CA 1.339 64.454 63.100 0.024 0.000 0.814 218 P CB 0.749 32.457 31.700 0.014 0.000 0.787 219 Q N -2.977 116.834 119.800 0.019 0.000 2.907 219 Q HA 0.391 4.748 4.340 0.029 0.000 0.262 219 Q C -2.446 173.563 176.000 0.015 0.000 0.997 219 Q CA -2.736 53.077 55.803 0.016 0.000 0.797 219 Q CB 0.042 28.775 28.738 -0.008 0.000 1.228 219 Q HN -0.208 8.068 8.270 0.011 0.000 0.466 220 P HA 0.031 4.468 4.420 0.029 0.000 0.272 220 P C -1.090 176.218 177.300 0.013 0.000 1.230 220 P CA -0.577 62.550 63.100 0.046 0.000 0.788 220 P CB 0.676 32.443 31.700 0.110 0.000 0.949 221 D N 0.079 120.464 120.400 -0.025 0.000 2.358 221 D HA -0.128 4.460 4.640 -0.087 0.000 0.258 221 D C 0.968 177.227 176.300 -0.067 0.000 1.223 221 D CA 0.201 54.156 54.000 -0.076 0.000 0.886 221 D CB 1.061 41.783 40.800 -0.129 0.000 1.120 221 D HN 0.184 8.540 8.370 -0.024 0.000 0.482 222 E N 8.352 128.507 120.200 -0.075 0.000 2.038 222 E HA -0.443 4.113 4.350 0.013 -0.198 0.195 222 E C 1.554 178.057 176.600 -0.162 0.000 1.000 222 E CA 3.640 60.003 56.400 -0.062 0.000 0.803 222 E CB 0.325 29.995 29.700 -0.050 0.000 0.750 222 E HN 0.512 8.824 8.360 -0.081 0.000 0.448 223 K N -2.137 118.089 120.400 -0.291 0.000 2.147 223 K HA -0.269 3.767 4.320 -0.473 0.000 0.205 223 K C 2.591 179.126 176.600 -0.108 0.000 1.049 223 K CA 2.851 58.890 56.287 -0.413 0.000 0.936 223 K CB -0.260 31.771 32.500 -0.782 0.000 0.722 223 K HN 0.200 8.264 8.250 -0.311 0.000 0.446 224 S N 0.409 116.043 115.700 -0.109 0.000 2.368 224 S HA -0.327 4.175 4.470 0.054 0.000 0.224 224 S C 1.684 176.295 174.600 0.019 0.000 1.029 224 S CA 3.490 61.676 58.200 -0.024 0.000 0.988 224 S CB -0.202 62.945 63.200 -0.089 0.000 0.838 224 S HN -0.655 7.747 8.310 -0.165 -0.191 0.462 225 I N 1.804 122.361 120.570 -0.022 0.000 2.226 225 I HA -0.407 3.808 4.170 0.074 0.000 0.245 225 I C 1.631 177.665 176.117 -0.139 0.000 1.100 225 I CA 3.159 64.441 61.300 -0.030 0.000 1.374 225 I CB -0.664 37.287 38.000 -0.082 0.000 1.057 225 I HN -0.644 7.539 8.210 -0.045 0.000 0.413 226 I N 0.105 120.519 120.570 -0.259 0.000 2.226 226 I HA -0.632 3.092 4.170 -0.744 0.000 0.245 226 I C 2.061 178.088 176.117 -0.149 0.000 1.100 226 I CA 4.745 65.778 61.300 -0.444 0.000 1.374 226 I CB -0.479 37.257 38.000 -0.439 0.000 1.057 226 I HN 0.157 8.233 8.210 -0.224 0.000 0.413 227 T N 2.346 116.920 114.554 0.033 0.000 2.684 227 T HA -0.391 3.967 4.350 0.014 0.000 0.267 227 T C 1.725 176.482 174.700 0.095 0.000 1.036 227 T CA 5.474 67.617 62.100 0.071 0.000 1.148 227 T CB -0.049 68.906 68.868 0.145 0.000 0.863 227 T HN -0.220 8.063 8.240 0.072 0.000 0.436 228 Y N 2.640 122.942 120.300 0.002 0.000 2.163 228 Y HA -0.357 4.206 4.550 0.021 0.000 0.288 228 Y C 1.845 177.780 175.900 0.057 0.000 1.136 228 Y CA 3.288 61.391 58.100 0.005 0.000 1.147 228 Y CB -0.033 38.384 38.460 -0.072 0.000 0.987 228 Y HN -0.581 7.828 8.280 0.216 0.000 0.509 229 V N -1.768 118.159 119.914 0.021 0.000 2.407 229 V HA -0.580 3.614 4.120 0.124 0.000 0.248 229 V C 1.839 177.925 176.094 -0.012 0.000 1.055 229 V CA 4.502 66.826 62.300 0.039 0.000 1.049 229 V CB -0.974 30.850 31.823 0.002 0.000 0.662 229 V HN 0.008 8.226 8.190 0.047 0.000 0.455 230 S N -0.481 115.170 115.700 -0.083 0.000 2.402 230 S HA -0.357 4.021 4.470 -0.154 0.000 0.229 230 S C 1.773 176.347 174.600 -0.043 0.000 1.021 230 S CA 3.220 61.358 58.200 -0.104 0.000 0.974 230 S CB -0.489 62.636 63.200 -0.126 0.000 0.800 230 S HN -0.072 8.180 8.310 -0.097 0.000 0.484 231 S N 2.384 118.046 115.700 -0.063 0.000 2.406 231 S HA -0.229 4.246 4.470 0.009 0.000 0.228 231 S C 2.160 176.677 174.600 -0.139 0.000 1.020 231 S CA 2.970 61.130 58.200 -0.067 0.000 0.965 231 S CB -0.051 63.114 63.200 -0.057 0.000 0.798 231 S HN -0.590 7.565 8.310 -0.081 0.107 0.488 232 L N 1.627 122.739 121.223 -0.185 0.000 2.027 232 L HA -0.339 3.945 4.340 -0.095 0.000 0.206 232 L C 2.392 179.255 176.870 -0.011 0.000 1.074 232 L CA 2.896 57.700 54.840 -0.059 0.000 0.745 232 L CB -0.371 41.752 42.059 0.106 0.000 0.898 232 L HN -0.717 7.284 8.230 -0.241 0.084 0.433 233 Y N 0.340 120.479 120.300 -0.268 0.000 2.151 233 Y HA -0.485 3.643 4.550 -0.703 0.000 0.284 233 Y C 1.871 177.590 175.900 -0.301 0.000 1.166 233 Y CA 3.362 61.095 58.100 -0.611 0.000 1.163 233 Y CB -0.203 37.629 38.460 -1.045 0.000 0.974 233 Y HN -0.403 7.848 8.280 -0.048 0.000 0.511 234 D N -2.093 118.236 120.400 -0.118 0.000 2.178 234 D HA -0.236 4.314 4.640 -0.151 0.000 0.201 234 D C 0.386 176.597 176.300 -0.148 0.000 0.980 234 D CA 2.434 56.365 54.000 -0.114 0.000 0.842 234 D CB -0.248 40.554 40.800 0.003 0.000 0.948 234 D HN -0.460 7.898 8.370 -0.008 0.007 0.472 235 A N -3.840 118.902 122.820 -0.131 0.000 2.238 235 A HA -0.043 4.229 4.320 -0.080 0.000 0.208 235 A C -0.318 177.180 177.584 -0.144 0.000 1.177 235 A CA 0.185 52.156 52.037 -0.110 0.000 0.804 235 A CB 0.517 19.462 19.000 -0.092 0.000 0.823 235 A HN -0.614 7.340 8.150 -0.121 0.123 0.482 236 M N 0.167 119.655 119.600 -0.187 0.000 2.047 236 M HA 0.330 4.777 4.480 -0.056 0.000 0.342 236 M C -2.704 173.553 176.300 -0.071 0.000 1.058 236 M CA -1.704 53.533 55.300 -0.105 0.000 0.991 236 M CB 0.157 32.734 32.600 -0.038 0.000 1.474 236 M HN -0.909 7.088 8.290 -0.232 0.154 0.419 237 P HA 0.000 4.403 4.420 -0.028 0.000 0.216 237 P CA 0.000 63.107 63.100 0.012 0.000 0.800 237 P CB 0.000 31.733 31.700 0.056 0.000 0.726