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 2j4l_1_L DATA FIRST_RESID 1 DATA SEQUENCE MNIILKISGK FFDEDNVDNL IVLRQSIKEL ADNGFRVGIV TGGGSTARRY DATA SEQUENCE IKLAREIGIG EAYLDLLGIW ASRLNAYLVM FSLQDLAYMH VPQSLEEFIQ DATA SEQUENCE DWSHGKVVVT GGFQPGQSTA AVAALVAEAS SSKTLVVATN VDGVYEKDPR DATA SEQUENCE IYADVKLIPH LTTQDLRKIL XXXXXXXXXX XXLLDPLAIK IVERSKIRVI DATA SEQUENCE VMNYRKLNRI IDILKGEEVS SIIEPV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 1 M C 0.000 176.366 176.300 0.109 0.000 1.140 1 M CA 0.000 55.242 55.300 -0.097 0.000 0.988 1 M CB 0.000 32.576 32.600 -0.040 0.000 1.302 2 N N 0.610 119.430 118.700 0.200 0.000 2.400 2 N HA 0.830 5.570 4.740 -0.001 0.000 0.288 2 N C -1.627 174.050 175.510 0.279 0.000 1.024 2 N CA -0.352 52.889 53.050 0.318 0.000 0.894 2 N CB 1.663 40.347 38.487 0.328 0.000 1.173 2 N HN 0.626 9.006 8.380 -0.000 0.000 0.487 3 I N 1.861 122.612 120.570 0.302 0.000 2.722 3 I HA 0.468 4.637 4.170 -0.001 0.000 0.295 3 I C -1.542 174.637 176.117 0.104 0.000 1.161 3 I CA -0.783 60.624 61.300 0.177 0.000 1.032 3 I CB 1.432 39.532 38.000 0.167 0.000 1.244 3 I HN 0.244 8.454 8.210 -0.000 0.000 0.421 4 I N 7.570 128.146 120.570 0.010 0.000 2.377 4 I HA 0.380 4.549 4.170 -0.001 0.000 0.293 4 I C -0.545 175.544 176.117 -0.046 0.000 0.987 4 I CA -0.655 60.624 61.300 -0.035 0.000 1.185 4 I CB 1.608 39.535 38.000 -0.122 0.000 1.341 4 I HN 0.494 8.704 8.210 -0.000 0.000 0.455 5 L N 6.618 127.818 121.223 -0.039 0.000 2.294 5 L HA 0.363 4.702 4.340 -0.001 0.000 0.283 5 L C -0.102 176.723 176.870 -0.076 0.000 1.015 5 L CA -0.644 54.158 54.840 -0.063 0.000 0.831 5 L CB 0.812 42.834 42.059 -0.061 0.000 1.217 5 L HN 0.438 8.668 8.230 -0.000 0.000 0.420 6 K N 6.345 126.693 120.400 -0.086 0.000 2.264 6 K HA 0.332 4.651 4.320 -0.001 0.000 0.277 6 K C -0.675 175.878 176.600 -0.078 0.000 1.067 6 K CA -0.585 55.652 56.287 -0.084 0.000 0.900 6 K CB 0.623 33.072 32.500 -0.086 0.000 1.124 6 K HN 0.475 8.725 8.250 -0.000 0.000 0.469 7 I N 2.828 123.351 120.570 -0.079 0.000 2.315 7 I HA 0.066 4.236 4.170 -0.001 0.000 0.291 7 I C 1.026 177.141 176.117 -0.003 0.000 1.006 7 I CA -0.393 60.826 61.300 -0.136 0.000 1.265 7 I CB 0.890 38.733 38.000 -0.263 0.000 1.387 7 I HN 0.504 8.714 8.210 -0.000 0.000 0.475 8 S N 4.285 120.020 115.700 0.057 0.000 2.563 8 S HA 0.140 4.609 4.470 -0.001 0.000 0.284 8 S C 1.571 176.284 174.600 0.188 0.000 1.331 8 S CA 0.292 58.581 58.200 0.148 0.000 1.047 8 S CB 0.973 64.328 63.200 0.259 0.000 0.859 8 S HN 0.865 9.175 8.310 -0.000 0.000 0.514 9 G N 3.387 112.309 108.800 0.204 0.000 2.432 9 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.219 9 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.219 9 G C 1.308 176.365 174.900 0.262 0.000 1.135 9 G CA 0.720 45.985 45.100 0.276 0.000 0.767 9 G HN 0.832 9.122 8.290 -0.000 0.000 0.550 10 K N -0.466 120.056 120.400 0.204 0.000 2.211 10 K HA -0.063 4.256 4.320 -0.001 0.000 0.204 10 K C 2.011 178.629 176.600 0.029 0.000 1.047 10 K CA 0.855 57.243 56.287 0.170 0.000 0.935 10 K CB -0.303 32.344 32.500 0.246 0.000 0.728 10 K HN 0.354 8.604 8.250 -0.000 0.000 0.452 11 F N 0.542 120.261 119.950 -0.384 0.000 2.307 11 F HA -0.162 4.364 4.527 -0.001 0.000 0.301 11 F C 1.011 176.333 175.800 -0.798 0.000 1.076 11 F CA 1.309 58.720 58.000 -0.981 0.000 1.383 11 F CB 0.029 38.234 39.000 -1.325 0.000 1.055 11 F HN -0.092 8.208 8.300 -0.000 0.000 0.526 12 F N -0.614 119.306 119.950 -0.050 0.000 2.695 12 F HA 0.119 4.646 4.527 -0.001 0.000 0.303 12 F C 1.417 177.172 175.800 -0.076 0.000 1.091 12 F CA -0.144 57.810 58.000 -0.076 0.000 1.300 12 F CB -0.068 38.949 39.000 0.029 0.000 1.071 12 F HN -0.102 8.198 8.300 -0.000 0.000 0.578 13 D N -0.106 120.313 120.400 0.032 0.000 2.392 13 D HA -0.022 4.618 4.640 -0.001 0.000 0.206 13 D C 1.732 178.017 176.300 -0.024 0.000 1.046 13 D CA 0.356 54.377 54.000 0.036 0.000 0.865 13 D CB -0.017 40.820 40.800 0.063 0.000 0.969 13 D HN 0.332 8.702 8.370 -0.000 0.000 0.509 14 E N 0.826 120.963 120.200 -0.106 0.000 2.077 14 E HA -0.160 4.190 4.350 -0.001 0.000 0.193 14 E C -0.175 176.369 176.600 -0.093 0.000 0.989 14 E CA 1.016 57.349 56.400 -0.112 0.000 0.800 14 E CB 0.063 29.649 29.700 -0.191 0.000 0.746 14 E HN 0.059 8.419 8.360 -0.000 0.000 0.452 15 D N 0.193 120.527 120.400 -0.109 0.000 3.092 15 D HA -0.136 4.504 4.640 -0.001 0.000 0.253 15 D C -1.450 174.804 176.300 -0.076 0.000 1.063 15 D CA 0.382 54.341 54.000 -0.068 0.000 0.886 15 D CB -1.063 39.718 40.800 -0.032 0.000 1.021 15 D HN 0.175 8.545 8.370 -0.000 0.000 0.425 16 N N 1.352 119.988 118.700 -0.108 0.000 2.554 16 N HA 0.151 4.891 4.740 -0.001 0.000 0.271 16 N C 0.809 176.259 175.510 -0.099 0.000 1.081 16 N CA -0.382 52.613 53.050 -0.091 0.000 0.994 16 N CB 1.635 40.062 38.487 -0.101 0.000 1.641 16 N HN -0.048 8.332 8.380 -0.000 0.000 0.511 17 V N 2.646 122.528 119.914 -0.054 0.000 2.324 17 V HA -0.229 3.890 4.120 -0.001 0.000 0.250 17 V C 1.401 177.471 176.094 -0.041 0.000 1.060 17 V CA 1.963 64.242 62.300 -0.035 0.000 1.042 17 V CB -0.392 31.425 31.823 -0.010 0.000 0.650 17 V HN 0.666 8.856 8.190 -0.000 0.000 0.450 18 D N -0.114 120.262 120.400 -0.040 0.000 2.271 18 D HA -0.164 4.475 4.640 -0.001 0.000 0.207 18 D C 1.951 178.229 176.300 -0.038 0.000 0.983 18 D CA 1.131 55.117 54.000 -0.023 0.000 0.878 18 D CB -0.400 40.391 40.800 -0.015 0.000 0.920 18 D HN 0.475 8.845 8.370 -0.000 0.000 0.479 19 N N -0.371 118.245 118.700 -0.140 0.000 2.039 19 N HA -0.045 4.695 4.740 -0.001 0.000 0.193 19 N C 1.805 177.282 175.510 -0.054 0.000 1.044 19 N CA 0.702 53.568 53.050 -0.307 0.000 0.847 19 N CB -0.210 37.808 38.487 -0.781 0.000 1.030 19 N HN 0.133 8.513 8.380 -0.000 0.000 0.422 20 L N 0.344 121.543 121.223 -0.041 0.000 2.027 20 L HA -0.092 4.247 4.340 -0.001 0.000 0.206 20 L C 2.062 179.006 176.870 0.123 0.000 1.074 20 L CA 0.805 55.721 54.840 0.126 0.000 0.745 20 L CB -0.421 41.705 42.059 0.111 0.000 0.898 20 L HN 0.250 8.480 8.230 -0.000 0.000 0.433 21 I N -0.742 119.871 120.570 0.071 0.000 2.091 21 I HA -0.355 3.815 4.170 -0.001 0.000 0.239 21 I C 2.590 178.753 176.117 0.076 0.000 1.061 21 I CA 1.664 63.003 61.300 0.065 0.000 1.317 21 I CB -0.386 37.639 38.000 0.041 0.000 1.031 21 I HN 0.089 8.299 8.210 -0.000 0.000 0.401 22 V N 0.940 120.902 119.914 0.081 0.000 2.490 22 V HA -0.238 3.882 4.120 -0.001 0.000 0.250 22 V C 2.282 178.432 176.094 0.093 0.000 1.061 22 V CA 1.718 64.067 62.300 0.083 0.000 1.064 22 V CB -0.180 31.696 31.823 0.087 0.000 0.670 22 V HN 0.376 8.566 8.190 -0.000 0.000 0.461 23 L N 0.836 122.144 121.223 0.142 0.000 2.017 23 L HA -0.120 4.220 4.340 -0.001 0.000 0.208 23 L C 2.560 179.466 176.870 0.061 0.000 1.073 23 L CA 2.619 57.508 54.840 0.083 0.000 0.745 23 L CB -1.037 41.093 42.059 0.118 0.000 0.894 23 L HN 0.367 8.597 8.230 -0.000 0.000 0.432 24 R N -1.108 119.444 120.500 0.087 0.000 2.091 24 R HA -0.187 4.152 4.340 -0.001 0.000 0.238 24 R C 2.232 178.566 176.300 0.056 0.000 1.136 24 R CA 1.506 57.651 56.100 0.075 0.000 0.959 24 R CB -0.138 30.211 30.300 0.082 0.000 0.856 24 R HN 0.484 8.754 8.270 -0.000 0.000 0.437 25 Q N 0.477 120.308 119.800 0.052 0.000 1.985 25 Q HA -0.193 4.147 4.340 -0.001 0.000 0.207 25 Q C 2.234 178.252 176.000 0.030 0.000 0.996 25 Q CA 2.335 58.163 55.803 0.041 0.000 0.851 25 Q CB -0.811 27.951 28.738 0.040 0.000 0.921 25 Q HN 0.513 8.783 8.270 -0.000 0.000 0.418 26 S N 0.872 116.583 115.700 0.019 0.000 2.387 26 S HA -0.152 4.317 4.470 -0.001 0.000 0.230 26 S C 2.034 176.631 174.600 -0.006 0.000 1.035 26 S CA 1.234 59.432 58.200 -0.003 0.000 1.014 26 S CB -0.415 62.771 63.200 -0.024 0.000 0.836 26 S HN 0.193 8.503 8.310 -0.000 0.000 0.466 27 I N 2.642 123.218 120.570 0.011 0.000 2.099 27 I HA -0.162 4.008 4.170 -0.001 0.000 0.239 27 I C 2.566 178.708 176.117 0.042 0.000 1.066 27 I CA 1.558 62.874 61.300 0.026 0.000 1.324 27 I CB -1.323 36.705 38.000 0.047 0.000 1.037 27 I HN 0.377 8.587 8.210 -0.000 0.000 0.401 28 K N 0.531 120.958 120.400 0.046 0.000 2.074 28 K HA -0.224 4.095 4.320 -0.001 0.000 0.209 28 K C 2.014 178.647 176.600 0.055 0.000 1.048 28 K CA 1.635 57.953 56.287 0.051 0.000 0.926 28 K CB -0.197 32.331 32.500 0.046 0.000 0.713 28 K HN 0.426 8.676 8.250 -0.000 0.000 0.444 29 E N 0.853 121.078 120.200 0.042 0.000 2.031 29 E HA -0.167 4.183 4.350 -0.001 0.000 0.193 29 E C 2.129 178.771 176.600 0.070 0.000 0.994 29 E CA 0.938 57.366 56.400 0.047 0.000 0.800 29 E CB -0.134 29.581 29.700 0.024 0.000 0.752 29 E HN 0.226 8.586 8.360 -0.000 0.000 0.447 30 L N 0.568 121.807 121.223 0.027 0.000 2.129 30 L HA -0.255 4.085 4.340 -0.001 0.000 0.212 30 L C 2.473 179.480 176.870 0.228 0.000 1.087 30 L CA 1.030 55.880 54.840 0.017 0.000 0.757 30 L CB -0.385 41.605 42.059 -0.114 0.000 0.896 30 L HN 0.174 8.404 8.230 -0.000 0.000 0.434 31 A N -0.377 122.534 122.820 0.151 0.000 1.840 31 A HA -0.180 4.140 4.320 -0.001 0.000 0.214 31 A C 1.672 179.338 177.584 0.136 0.000 1.198 31 A CA 1.496 53.622 52.037 0.148 0.000 0.608 31 A CB -0.489 18.568 19.000 0.094 0.000 0.839 31 A HN 0.363 8.513 8.150 -0.000 0.000 0.443 32 D N 0.495 120.960 120.400 0.107 0.000 2.400 32 D HA -0.054 4.586 4.640 -0.001 0.000 0.242 32 D C 0.296 176.662 176.300 0.110 0.000 1.077 32 D CA 0.455 54.507 54.000 0.087 0.000 0.943 32 D CB -0.282 40.558 40.800 0.066 0.000 0.882 32 D HN 0.429 8.799 8.370 -0.000 0.000 0.529 33 N N -0.416 118.394 118.700 0.184 0.000 2.197 33 N HA 0.105 4.844 4.740 -0.001 0.000 0.228 33 N C 0.762 176.339 175.510 0.112 0.000 1.212 33 N CA 0.106 53.295 53.050 0.232 0.000 0.883 33 N CB 1.607 40.366 38.487 0.453 0.000 1.107 33 N HN 0.107 8.487 8.380 -0.000 0.000 0.519 34 G N 1.294 110.134 108.800 0.066 0.000 2.225 34 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.264 34 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.264 34 G C -0.459 174.344 174.900 -0.161 0.000 1.060 34 G CA -0.016 45.044 45.100 -0.068 0.000 0.833 34 G HN 0.241 8.531 8.290 -0.000 0.000 0.498 35 F N -0.251 119.726 119.950 0.044 0.000 2.495 35 F HA 0.627 5.153 4.527 -0.001 0.000 0.327 35 F C 0.956 176.804 175.800 0.079 0.000 1.103 35 F CA -0.956 57.084 58.000 0.068 0.000 0.949 35 F CB 1.504 40.546 39.000 0.069 0.000 1.142 35 F HN -0.058 8.242 8.300 -0.000 0.000 0.457 36 R N 2.123 122.810 120.500 0.311 0.000 2.312 36 R HA 0.660 5.000 4.340 -0.001 0.000 0.311 36 R C -1.292 175.253 176.300 0.409 0.000 1.004 36 R CA -0.739 55.507 56.100 0.243 0.000 0.902 36 R CB 1.791 32.198 30.300 0.177 0.000 1.073 36 R HN 0.379 8.649 8.270 -0.000 0.000 0.457 37 V N 1.676 121.796 119.914 0.343 0.000 2.513 37 V HA 0.534 4.654 4.120 -0.001 0.000 0.299 37 V C 0.431 176.820 176.094 0.492 0.000 1.035 37 V CA -0.845 61.668 62.300 0.355 0.000 0.889 37 V CB 1.949 33.886 31.823 0.190 0.000 0.988 37 V HN 0.939 9.129 8.190 -0.000 0.000 0.440 38 G N 4.312 113.369 108.800 0.428 0.000 2.478 38 G HA2 0.750 4.710 3.960 -0.001 0.000 0.317 38 G HA3 0.750 4.710 3.960 -0.001 0.000 0.317 38 G C -0.983 174.026 174.900 0.181 0.000 1.259 38 G CA -0.485 44.870 45.100 0.425 0.000 0.933 38 G HN 0.595 8.885 8.290 -0.000 0.000 0.478 39 I N 1.920 122.589 120.570 0.166 0.000 2.404 39 I HA 0.364 4.534 4.170 -0.001 0.000 0.293 39 I C -0.518 175.597 176.117 -0.002 0.000 0.992 39 I CA -1.041 60.292 61.300 0.055 0.000 1.149 39 I CB 2.334 40.369 38.000 0.058 0.000 1.315 39 I HN 0.048 8.258 8.210 -0.000 0.000 0.446 40 V N 4.120 123.996 119.914 -0.064 0.000 2.409 40 V HA 0.423 4.543 4.120 -0.001 0.000 0.291 40 V C 0.102 176.151 176.094 -0.075 0.000 1.020 40 V CA -0.557 61.669 62.300 -0.124 0.000 0.848 40 V CB 1.791 33.497 31.823 -0.195 0.000 0.990 40 V HN 0.850 9.040 8.190 -0.000 0.000 0.430 41 T N 1.514 116.021 114.554 -0.077 0.000 2.797 41 T HA 0.724 5.073 4.350 -0.001 0.000 0.279 41 T C 0.379 175.065 174.700 -0.024 0.000 0.991 41 T CA -0.278 61.833 62.100 0.018 0.000 0.979 41 T CB 1.576 70.412 68.868 -0.053 0.000 0.943 41 T HN 0.884 9.124 8.240 -0.000 0.000 0.444 42 G N 0.938 109.787 108.800 0.082 0.000 2.599 42 G HA2 0.468 4.428 3.960 -0.001 0.000 0.264 42 G HA3 0.468 4.428 3.960 -0.001 0.000 0.264 42 G C 1.012 175.942 174.900 0.049 0.000 1.200 42 G CA -0.496 44.632 45.100 0.046 0.000 0.896 42 G HN 1.029 9.319 8.290 -0.000 0.000 0.536 43 G N -0.836 107.980 108.800 0.026 0.000 2.430 43 G HA2 0.389 4.349 3.960 -0.001 0.000 0.216 43 G HA3 0.389 4.349 3.960 -0.001 0.000 0.216 43 G C 1.262 176.212 174.900 0.084 0.000 1.146 43 G CA 0.990 46.107 45.100 0.028 0.000 0.793 43 G HN 1.934 10.224 8.290 -0.000 0.000 0.537 44 G N -0.152 108.718 108.800 0.118 0.000 2.601 44 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.261 44 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.261 44 G C 1.485 176.454 174.900 0.115 0.000 1.289 44 G CA 1.357 46.542 45.100 0.141 0.000 0.920 44 G HN 1.343 9.633 8.290 -0.000 0.000 0.571 45 S N -1.572 114.198 115.700 0.116 0.000 2.399 45 S HA -0.116 4.353 4.470 -0.001 0.000 0.231 45 S C 2.244 176.918 174.600 0.123 0.000 1.022 45 S CA 2.580 60.841 58.200 0.102 0.000 0.983 45 S CB -0.806 62.446 63.200 0.088 0.000 0.803 45 S HN 1.252 9.562 8.310 -0.000 0.000 0.480 46 T N 2.847 117.483 114.554 0.136 0.000 2.720 46 T HA 0.007 4.356 4.350 -0.001 0.000 0.268 46 T C 2.231 177.069 174.700 0.230 0.000 1.037 46 T CA 1.452 63.663 62.100 0.185 0.000 1.144 46 T CB -0.914 68.024 68.868 0.115 0.000 0.864 46 T HN 0.652 8.893 8.240 -0.000 0.000 0.444 47 A N 2.037 124.944 122.820 0.146 0.000 1.851 47 A HA -0.155 4.164 4.320 -0.001 0.000 0.216 47 A C 2.415 180.095 177.584 0.161 0.000 1.195 47 A CA 1.621 53.740 52.037 0.136 0.000 0.622 47 A CB -0.627 18.424 19.000 0.084 0.000 0.831 47 A HN 0.402 8.552 8.150 -0.000 0.000 0.444 48 R N -1.039 119.534 120.500 0.122 0.000 2.091 48 R HA -0.162 4.177 4.340 -0.001 0.000 0.238 48 R C 2.566 178.922 176.300 0.093 0.000 1.136 48 R CA 1.595 57.753 56.100 0.096 0.000 0.959 48 R CB -0.378 29.965 30.300 0.072 0.000 0.856 48 R HN 0.634 8.904 8.270 -0.000 0.000 0.437 49 R N 0.130 120.693 120.500 0.104 0.000 2.080 49 R HA -0.210 4.129 4.340 -0.001 0.000 0.236 49 R C 1.804 178.086 176.300 -0.031 0.000 1.137 49 R CA 1.841 57.960 56.100 0.031 0.000 0.943 49 R CB -0.342 29.980 30.300 0.037 0.000 0.846 49 R HN 0.229 8.499 8.270 -0.000 0.000 0.431 50 Y N 0.468 120.793 120.300 0.042 0.000 2.263 50 Y HA -0.072 4.478 4.550 -0.001 0.000 0.292 50 Y C 2.182 178.112 175.900 0.051 0.000 1.130 50 Y CA 1.216 59.343 58.100 0.046 0.000 1.179 50 Y CB -0.052 38.443 38.460 0.058 0.000 0.998 50 Y HN 0.069 8.349 8.280 -0.000 0.000 0.532 51 I N -0.149 120.533 120.570 0.187 0.000 2.252 51 I HA -0.274 3.896 4.170 -0.001 0.000 0.245 51 I C 2.605 178.768 176.117 0.077 0.000 1.102 51 I CA 1.262 62.639 61.300 0.128 0.000 1.385 51 I CB -0.274 37.789 38.000 0.104 0.000 1.064 51 I HN 0.082 8.292 8.210 -0.000 0.000 0.414 52 K N 1.078 121.510 120.400 0.052 0.000 2.097 52 K HA -0.185 4.134 4.320 -0.001 0.000 0.205 52 K C 2.132 178.734 176.600 0.002 0.000 1.050 52 K CA 1.422 57.722 56.287 0.023 0.000 0.938 52 K CB -0.232 32.276 32.500 0.013 0.000 0.718 52 K HN 0.171 8.421 8.250 -0.000 0.000 0.442 53 L N 0.937 122.145 121.223 -0.024 0.000 2.095 53 L HA 0.045 4.385 4.340 -0.001 0.000 0.204 53 L C 2.237 179.101 176.870 -0.010 0.000 1.080 53 L CA 1.909 56.716 54.840 -0.055 0.000 0.759 53 L CB -0.841 41.122 42.059 -0.160 0.000 0.914 53 L HN 0.147 8.377 8.230 -0.000 0.000 0.439 54 A N -0.223 122.617 122.820 0.032 0.000 1.855 54 A HA -0.213 4.107 4.320 -0.001 0.000 0.215 54 A C 2.535 180.151 177.584 0.052 0.000 1.191 54 A CA 1.571 53.644 52.037 0.060 0.000 0.613 54 A CB -0.678 18.389 19.000 0.111 0.000 0.829 54 A HN 0.469 8.619 8.150 -0.000 0.000 0.442 55 R N -0.112 120.421 120.500 0.054 0.000 2.127 55 R HA -0.203 4.137 4.340 -0.001 0.000 0.238 55 R C 1.989 178.308 176.300 0.031 0.000 1.134 55 R CA 1.864 57.992 56.100 0.047 0.000 0.975 55 R CB -0.298 30.028 30.300 0.044 0.000 0.865 55 R HN 0.681 8.951 8.270 -0.000 0.000 0.447 56 E N 0.479 120.691 120.200 0.021 0.000 2.265 56 E HA -0.166 4.184 4.350 -0.001 0.000 0.196 56 E C 1.534 178.140 176.600 0.010 0.000 0.996 56 E CA 1.443 57.849 56.400 0.010 0.000 0.832 56 E CB -0.034 29.666 29.700 -0.001 0.000 0.756 56 E HN 0.689 9.049 8.360 -0.000 0.000 0.491 57 I N -5.149 115.430 120.570 0.014 0.000 4.025 57 I HA 0.452 4.621 4.170 -0.001 0.000 0.336 57 I C 0.933 177.062 176.117 0.020 0.000 1.390 57 I CA 0.352 61.659 61.300 0.013 0.000 1.099 57 I CB 0.821 38.825 38.000 0.007 0.000 1.049 57 I HN 0.094 8.304 8.210 -0.000 0.000 0.394 58 G N 2.185 111.002 108.800 0.029 0.000 2.130 58 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.216 58 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.216 58 G C -0.051 174.881 174.900 0.054 0.000 0.999 58 G CA -0.270 44.852 45.100 0.037 0.000 0.686 58 G HN 0.295 8.585 8.290 -0.000 0.000 0.515 59 I N 1.868 122.478 120.570 0.066 0.000 2.556 59 I HA 0.356 4.526 4.170 -0.001 0.000 0.284 59 I C 1.707 177.912 176.117 0.146 0.000 1.114 59 I CA 0.164 61.526 61.300 0.103 0.000 1.418 59 I CB 0.061 38.127 38.000 0.110 0.000 1.394 59 I HN 0.218 8.428 8.210 -0.000 0.000 0.552 60 G N 4.347 113.279 108.800 0.220 0.000 2.720 60 G HA2 -0.077 3.883 3.960 -0.001 0.000 0.237 60 G HA3 -0.077 3.883 3.960 -0.001 0.000 0.237 60 G C 0.850 175.829 174.900 0.131 0.000 1.239 60 G CA -0.133 45.078 45.100 0.186 0.000 0.847 60 G HN 0.785 9.075 8.290 -0.000 0.000 0.593 61 E N 0.680 120.913 120.200 0.055 0.000 2.150 61 E HA -0.050 4.300 4.350 -0.001 0.000 0.193 61 E C 2.647 179.236 176.600 -0.017 0.000 0.985 61 E CA 1.652 58.068 56.400 0.025 0.000 0.814 61 E CB -0.283 29.421 29.700 0.007 0.000 0.752 61 E HN 0.512 8.872 8.360 -0.000 0.000 0.466 62 A N -0.215 122.540 122.820 -0.108 0.000 1.865 62 A HA -0.208 4.112 4.320 -0.001 0.000 0.217 62 A C 1.997 179.449 177.584 -0.220 0.000 1.191 62 A CA 1.778 53.669 52.037 -0.244 0.000 0.623 62 A CB -1.109 17.606 19.000 -0.476 0.000 0.826 62 A HN 0.422 8.572 8.150 -0.000 0.000 0.444 63 Y N 0.292 120.623 120.300 0.051 0.000 2.293 63 Y HA -0.081 4.468 4.550 -0.001 0.000 0.291 63 Y C 2.196 178.143 175.900 0.080 0.000 1.137 63 Y CA 0.982 59.125 58.100 0.072 0.000 1.202 63 Y CB -0.637 37.867 38.460 0.072 0.000 0.990 63 Y HN 0.174 8.454 8.280 -0.000 0.000 0.537 64 L N -0.407 120.930 121.223 0.190 0.000 2.079 64 L HA -0.243 4.097 4.340 -0.001 0.000 0.210 64 L C 1.847 178.781 176.870 0.107 0.000 1.081 64 L CA 1.426 56.352 54.840 0.143 0.000 0.752 64 L CB -0.537 41.583 42.059 0.102 0.000 0.896 64 L HN 0.181 8.411 8.230 -0.000 0.000 0.433 65 D N -0.048 120.389 120.400 0.061 0.000 2.117 65 D HA -0.141 4.498 4.640 -0.001 0.000 0.198 65 D C 2.253 178.573 176.300 0.032 0.000 0.982 65 D CA 0.881 54.896 54.000 0.026 0.000 0.828 65 D CB -0.091 40.700 40.800 -0.015 0.000 0.967 65 D HN 0.057 8.427 8.370 -0.000 0.000 0.464 66 L N 0.757 122.020 121.223 0.066 0.000 2.012 66 L HA -0.135 4.205 4.340 -0.001 0.000 0.210 66 L C 2.545 179.513 176.870 0.163 0.000 1.073 66 L CA 1.174 56.066 54.840 0.086 0.000 0.748 66 L CB -1.265 40.925 42.059 0.218 0.000 0.891 66 L HN 0.125 8.355 8.230 -0.000 0.000 0.431 67 L N -0.960 120.402 121.223 0.230 0.000 2.043 67 L HA -0.214 4.125 4.340 -0.001 0.000 0.212 67 L C 2.450 179.415 176.870 0.158 0.000 1.075 67 L CA 1.473 56.454 54.840 0.235 0.000 0.752 67 L CB -1.063 41.130 42.059 0.223 0.000 0.891 67 L HN 0.423 8.653 8.230 -0.000 0.000 0.432 68 G N -0.136 108.727 108.800 0.105 0.000 2.408 68 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.217 68 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.217 68 G C 1.572 176.474 174.900 0.005 0.000 1.150 68 G CA 0.498 45.633 45.100 0.059 0.000 0.776 68 G HN 0.288 8.578 8.290 -0.000 0.000 0.542 69 I N -0.965 119.576 120.570 -0.048 0.000 2.179 69 I HA -0.163 4.006 4.170 -0.001 0.000 0.242 69 I C 2.595 178.607 176.117 -0.176 0.000 1.088 69 I CA 1.014 62.209 61.300 -0.174 0.000 1.357 69 I CB -0.278 37.547 38.000 -0.291 0.000 1.051 69 I HN 0.264 8.474 8.210 -0.000 0.000 0.409 70 W N 0.804 122.083 121.300 -0.036 0.000 2.358 70 W HA -0.181 4.478 4.660 -0.001 0.000 0.303 70 W C 2.792 179.256 176.519 -0.091 0.000 1.208 70 W CA 1.002 58.315 57.345 -0.052 0.000 1.274 70 W CB -0.243 29.182 29.460 -0.057 0.000 1.138 70 W HN 0.085 8.265 8.180 -0.000 0.000 0.515 71 A N 0.254 123.149 122.820 0.124 0.000 1.933 71 A HA -0.265 4.054 4.320 -0.001 0.000 0.218 71 A C 2.017 179.587 177.584 -0.023 0.000 1.175 71 A CA 2.418 54.465 52.037 0.015 0.000 0.628 71 A CB -1.328 17.677 19.000 0.010 0.000 0.814 71 A HN 0.293 8.443 8.150 -0.000 0.000 0.444 72 S N -0.335 115.338 115.700 -0.046 0.000 2.402 72 S HA -0.148 4.322 4.470 -0.001 0.000 0.229 72 S C 1.965 176.468 174.600 -0.162 0.000 1.021 72 S CA 1.162 59.294 58.200 -0.113 0.000 0.974 72 S CB -0.388 62.735 63.200 -0.128 0.000 0.800 72 S HN 0.610 8.920 8.310 -0.000 0.000 0.484 73 R N 0.214 120.651 120.500 -0.106 0.000 2.090 73 R HA 0.165 4.504 4.340 -0.001 0.000 0.228 73 R C 2.311 178.574 176.300 -0.060 0.000 1.110 73 R CA 1.038 57.060 56.100 -0.129 0.000 0.973 73 R CB -0.574 29.721 30.300 -0.007 0.000 0.869 73 R HN 0.389 8.659 8.270 -0.000 0.000 0.440 74 L N 1.395 122.651 121.223 0.054 0.000 2.079 74 L HA -0.172 4.167 4.340 -0.001 0.000 0.210 74 L C 1.098 177.890 176.870 -0.130 0.000 1.081 74 L CA 1.873 56.743 54.840 0.051 0.000 0.752 74 L CB -0.509 41.554 42.059 0.006 0.000 0.896 74 L HN 0.144 8.374 8.230 -0.000 0.000 0.433 75 N N -1.005 117.520 118.700 -0.290 0.000 2.331 75 N HA -0.053 4.686 4.740 -0.001 0.000 0.180 75 N C 1.812 176.980 175.510 -0.569 0.000 1.019 75 N CA 0.749 53.414 53.050 -0.641 0.000 0.881 75 N CB -0.120 37.779 38.487 -0.981 0.000 0.972 75 N HN 0.507 8.887 8.380 -0.000 0.000 0.435 76 A N 0.463 123.045 122.820 -0.396 0.000 1.873 76 A HA -0.141 4.178 4.320 -0.001 0.000 0.215 76 A C 1.597 178.942 177.584 -0.398 0.000 1.186 76 A CA 1.124 52.939 52.037 -0.369 0.000 0.616 76 A CB -0.792 17.958 19.000 -0.416 0.000 0.823 76 A HN 0.278 8.428 8.150 -0.000 0.000 0.442 77 Y N -0.737 119.355 120.300 -0.347 0.000 2.181 77 Y HA -0.138 4.412 4.550 -0.001 0.000 0.288 77 Y C 2.236 177.682 175.900 -0.756 0.000 1.146 77 Y CA 1.291 59.026 58.100 -0.607 0.000 1.164 77 Y CB -0.590 37.501 38.460 -0.615 0.000 0.982 77 Y HN 0.330 8.610 8.280 -0.000 0.000 0.515 78 L N -0.602 120.442 121.223 -0.299 0.000 2.012 78 L HA -0.171 4.168 4.340 -0.001 0.000 0.210 78 L C 2.162 179.007 176.870 -0.042 0.000 1.073 78 L CA 1.550 56.300 54.840 -0.150 0.000 0.748 78 L CB -0.928 41.078 42.059 -0.087 0.000 0.891 78 L HN 0.041 8.271 8.230 -0.000 0.000 0.431 79 V N -0.464 119.420 119.914 -0.051 0.000 2.407 79 V HA -0.329 3.791 4.120 -0.001 0.000 0.248 79 V C 2.561 178.686 176.094 0.051 0.000 1.055 79 V CA 2.113 64.456 62.300 0.072 0.000 1.049 79 V CB -0.608 31.269 31.823 0.090 0.000 0.662 79 V HN 0.604 8.794 8.190 -0.000 0.000 0.455 80 M N -0.424 119.152 119.600 -0.039 0.000 2.059 80 M HA -0.172 4.307 4.480 -0.001 0.000 0.259 80 M C 2.237 178.659 176.300 0.204 0.000 1.072 80 M CA 2.182 57.503 55.300 0.034 0.000 1.117 80 M CB -0.325 32.246 32.600 -0.047 0.000 1.320 80 M HN 0.307 8.597 8.290 -0.000 0.000 0.408 81 F N 0.304 120.309 119.950 0.092 0.000 2.192 81 F HA -0.285 4.242 4.527 -0.000 0.000 0.301 81 F C 2.706 178.543 175.800 0.062 0.000 1.079 81 F CA 1.004 59.047 58.000 0.071 0.000 1.303 81 F CB -0.615 38.425 39.000 0.067 0.000 1.024 81 F HN 0.429 8.729 8.300 -0.000 0.000 0.494 82 S N 0.185 116.043 115.700 0.264 0.000 2.461 82 S HA -0.031 4.438 4.470 -0.001 0.000 0.228 82 S C 1.453 176.137 174.600 0.139 0.000 1.005 82 S CA 0.441 58.746 58.200 0.175 0.000 0.942 82 S CB -0.599 62.696 63.200 0.159 0.000 0.776 82 S HN 0.419 8.729 8.310 -0.000 0.000 0.514 83 L N 1.013 122.322 121.223 0.143 0.000 2.567 83 L HA 0.228 4.568 4.340 -0.001 0.000 0.225 83 L C 1.227 178.163 176.870 0.110 0.000 1.119 83 L CA -0.205 54.705 54.840 0.115 0.000 0.871 83 L CB -0.532 41.593 42.059 0.111 0.000 1.036 83 L HN 0.387 8.617 8.230 -0.000 0.000 0.459 84 Q N 1.745 121.623 119.800 0.129 0.000 3.089 84 Q HA -0.276 4.063 4.340 -0.001 0.000 0.398 84 Q C 0.021 176.065 176.000 0.073 0.000 1.125 84 Q CA 1.197 57.063 55.803 0.105 0.000 1.180 84 Q CB 0.192 28.980 28.738 0.082 0.000 1.134 84 Q HN 0.353 8.623 8.270 -0.000 0.000 0.478 85 D N 1.522 121.961 120.400 0.064 0.000 2.911 85 D HA -0.230 4.410 4.640 -0.001 0.000 0.199 85 D C 0.432 176.765 176.300 0.055 0.000 1.041 85 D CA 1.494 55.524 54.000 0.050 0.000 1.013 85 D CB -0.854 39.969 40.800 0.038 0.000 1.093 85 D HN 0.608 8.978 8.370 -0.000 0.000 0.431 86 L N -0.834 120.431 121.223 0.069 0.000 2.803 86 L HA 0.412 4.751 4.340 -0.001 0.000 0.246 86 L C 1.007 177.927 176.870 0.083 0.000 1.100 86 L CA 0.446 55.326 54.840 0.068 0.000 0.919 86 L CB 0.481 42.582 42.059 0.070 0.000 1.285 86 L HN 0.053 8.283 8.230 -0.000 0.000 0.522 87 A N -0.826 122.055 122.820 0.102 0.000 2.337 87 A HA 0.471 4.790 4.320 -0.001 0.000 0.331 87 A C -1.548 176.128 177.584 0.154 0.000 1.137 87 A CA -0.315 51.801 52.037 0.131 0.000 0.807 87 A CB 0.680 19.759 19.000 0.130 0.000 1.250 87 A HN 0.129 8.279 8.150 -0.000 0.000 0.468 88 Y N 2.763 123.104 120.300 0.068 0.000 2.393 88 Y HA 0.280 4.830 4.550 -0.001 0.000 0.338 88 Y C 0.529 176.499 175.900 0.116 0.000 1.029 88 Y CA -1.046 57.091 58.100 0.061 0.000 1.239 88 Y CB 0.622 39.125 38.460 0.073 0.000 1.170 88 Y HN 0.538 8.818 8.280 -0.000 0.000 0.515 89 M N 7.892 127.276 119.600 -0.360 0.000 3.760 89 M HA 0.004 4.484 4.480 -0.001 0.000 0.176 89 M C -0.512 175.673 176.300 -0.191 0.000 1.614 89 M CA 0.947 56.136 55.300 -0.184 0.000 1.750 89 M CB -2.174 30.377 32.600 -0.082 0.000 1.202 89 M HN 0.663 8.953 8.290 -0.000 0.000 0.518 90 H N -0.803 118.119 119.070 -0.246 0.000 3.085 90 H HA 0.381 4.937 4.556 -0.001 0.000 0.356 90 H C -1.788 173.576 175.328 0.061 0.000 1.178 90 H CA -0.459 55.561 56.048 -0.047 0.000 1.214 90 H CB 2.127 31.844 29.762 -0.074 0.000 1.881 90 H HN -0.001 8.279 8.280 -0.000 0.000 0.538 91 V N 7.034 126.560 119.914 -0.648 0.000 2.275 91 V HA 0.207 4.326 4.120 -0.001 0.000 0.272 91 V C -2.029 173.802 176.094 -0.438 0.000 1.028 91 V CA -1.412 60.587 62.300 -0.501 0.000 0.810 91 V CB 0.926 32.280 31.823 -0.782 0.000 1.043 91 V HN 0.563 8.753 8.190 -0.000 0.000 0.453 92 P HA 0.026 4.446 4.420 -0.000 0.000 0.265 92 P C -0.230 177.178 177.300 0.180 0.000 1.187 92 P CA 0.248 63.456 63.100 0.180 0.000 0.766 92 P CB 0.778 32.711 31.700 0.388 0.000 0.820 93 Q N 0.366 120.248 119.800 0.136 0.000 2.179 93 Q HA 0.200 4.539 4.340 -0.001 0.000 0.213 93 Q C 0.301 176.325 176.000 0.040 0.000 0.833 93 Q CA -0.111 55.754 55.803 0.102 0.000 0.990 93 Q CB 0.414 29.152 28.738 0.000 0.000 1.132 93 Q HN 0.613 8.883 8.270 -0.000 0.000 0.493 94 S N -1.181 114.353 115.700 -0.275 0.000 2.565 94 S HA 0.258 4.727 4.470 -0.001 0.000 0.269 94 S C 0.097 173.979 174.600 -1.196 0.000 1.153 94 S CA -0.814 56.911 58.200 -0.792 0.000 0.835 94 S CB 1.206 64.214 63.200 -0.321 0.000 1.122 94 S HN 0.101 8.411 8.310 -0.000 0.000 0.462 95 L N 1.722 122.129 121.223 -1.359 0.000 2.042 95 L HA -0.017 4.322 4.340 -0.001 0.000 0.210 95 L C 2.385 179.123 176.870 -0.220 0.000 1.076 95 L CA 2.163 56.579 54.840 -0.707 0.000 0.749 95 L CB -0.879 40.960 42.059 -0.366 0.000 0.893 95 L HN 0.923 9.153 8.230 -0.000 0.000 0.432 96 E N -0.467 119.613 120.200 -0.200 0.000 2.038 96 E HA -0.286 4.064 4.350 -0.001 0.000 0.195 96 E C 2.089 178.677 176.600 -0.019 0.000 1.000 96 E CA 1.785 58.139 56.400 -0.076 0.000 0.803 96 E CB -0.282 29.375 29.700 -0.073 0.000 0.750 96 E HN 0.631 8.991 8.360 -0.000 0.000 0.448 97 E N 0.075 120.263 120.200 -0.020 0.000 2.118 97 E HA -0.205 4.144 4.350 -0.001 0.000 0.195 97 E C 1.872 178.558 176.600 0.142 0.000 0.992 97 E CA 0.864 57.312 56.400 0.080 0.000 0.804 97 E CB -0.208 29.576 29.700 0.139 0.000 0.741 97 E HN 0.195 8.555 8.360 -0.000 0.000 0.458 98 F N 1.489 121.460 119.950 0.034 0.000 2.095 98 F HA -0.206 4.321 4.527 -0.000 0.000 0.298 98 F C 1.997 177.880 175.800 0.139 0.000 1.104 98 F CA 1.359 59.438 58.000 0.132 0.000 1.232 98 F CB -0.161 38.915 39.000 0.126 0.000 0.987 98 F HN -0.087 8.213 8.300 -0.000 0.000 0.475 99 I N 0.118 120.745 120.570 0.095 0.000 2.194 99 I HA -0.371 3.799 4.170 -0.001 0.000 0.246 99 I C 2.566 178.648 176.117 -0.058 0.000 1.093 99 I CA 1.832 63.151 61.300 0.032 0.000 1.355 99 I CB -0.708 37.326 38.000 0.057 0.000 1.046 99 I HN 0.357 8.567 8.210 -0.000 0.000 0.413 100 Q N 0.808 120.570 119.800 -0.063 0.000 1.993 100 Q HA -0.236 4.103 4.340 -0.001 0.000 0.202 100 Q C 1.792 177.639 176.000 -0.256 0.000 0.984 100 Q CA 1.934 57.662 55.803 -0.124 0.000 0.837 100 Q CB 0.079 28.792 28.738 -0.041 0.000 0.902 100 Q HN 0.440 8.710 8.270 -0.000 0.000 0.423 101 D N -0.281 120.043 120.400 -0.127 0.000 2.178 101 D HA -0.198 4.442 4.640 -0.001 0.000 0.201 101 D C 1.349 177.492 176.300 -0.263 0.000 0.980 101 D CA 0.654 54.573 54.000 -0.135 0.000 0.842 101 D CB -0.514 40.419 40.800 0.222 0.000 0.948 101 D HN 0.503 8.873 8.370 -0.000 0.000 0.472 102 W N 1.668 122.640 121.300 -0.546 0.000 2.465 102 W HA -0.129 4.531 4.660 0.000 0.000 0.268 102 W C 1.596 177.902 176.519 -0.355 0.000 1.242 102 W CA 0.746 57.783 57.345 -0.513 0.000 1.248 102 W CB 0.162 29.211 29.460 -0.686 0.000 1.118 102 W HN -0.084 8.096 8.180 -0.000 0.000 0.587 103 S N -0.041 115.422 115.700 -0.394 0.000 2.382 103 S HA -0.233 4.237 4.470 -0.001 0.000 0.228 103 S C 0.959 175.257 174.600 -0.504 0.000 1.027 103 S CA 1.615 59.550 58.200 -0.443 0.000 0.991 103 S CB -0.688 62.222 63.200 -0.484 0.000 0.823 103 S HN 0.452 8.762 8.310 -0.000 0.000 0.469 104 H N 0.756 119.598 119.070 -0.381 0.000 2.568 104 H HA 0.182 4.738 4.556 -0.001 0.000 0.281 104 H C 1.688 176.841 175.328 -0.292 0.000 1.028 104 H CA 0.367 56.208 56.048 -0.344 0.000 1.199 104 H CB -0.535 28.927 29.762 -0.500 0.000 1.352 104 H HN 0.477 8.757 8.280 -0.000 0.000 0.605 105 G N 0.355 108.955 108.800 -0.334 0.000 2.203 105 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.263 105 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.263 105 G C 0.128 174.863 174.900 -0.276 0.000 1.012 105 G CA 0.522 45.413 45.100 -0.348 0.000 0.749 105 G HN 0.436 8.726 8.290 -0.000 0.000 0.512 106 K N -0.966 119.291 120.400 -0.237 0.000 2.352 106 K HA 0.644 4.964 4.320 -0.001 0.000 0.240 106 K C 0.530 177.071 176.600 -0.098 0.000 1.017 106 K CA -1.107 55.121 56.287 -0.097 0.000 0.851 106 K CB 2.252 34.785 32.500 0.055 0.000 1.261 106 K HN -0.001 8.249 8.250 -0.000 0.000 0.451 107 V N 1.864 121.790 119.914 0.020 0.000 2.788 107 V HA 0.013 4.133 4.120 -0.001 0.000 0.307 107 V C -0.113 176.102 176.094 0.202 0.000 1.069 107 V CA 0.098 62.468 62.300 0.116 0.000 1.173 107 V CB 0.798 32.700 31.823 0.130 0.000 0.925 107 V HN 0.367 8.557 8.190 -0.000 0.000 0.492 108 V N 5.266 125.382 119.914 0.336 0.000 2.540 108 V HA 0.466 4.585 4.120 -0.001 0.000 0.302 108 V C -0.317 175.979 176.094 0.337 0.000 1.035 108 V CA -0.586 61.939 62.300 0.375 0.000 0.873 108 V CB 2.093 34.204 31.823 0.479 0.000 0.992 108 V HN 0.586 8.776 8.190 -0.000 0.000 0.428 109 V N 3.784 123.820 119.914 0.203 0.000 2.384 109 V HA 0.598 4.717 4.120 -0.001 0.000 0.287 109 V C 0.164 176.271 176.094 0.023 0.000 1.020 109 V CA -0.227 62.125 62.300 0.087 0.000 0.850 109 V CB 1.800 33.618 31.823 -0.008 0.000 0.987 109 V HN 0.984 9.174 8.190 -0.000 0.000 0.436 110 T N 2.996 117.551 114.554 0.001 0.000 2.932 110 T HA 0.804 5.154 4.350 -0.001 0.000 0.289 110 T C 0.464 175.031 174.700 -0.222 0.000 1.039 110 T CA -0.111 61.942 62.100 -0.079 0.000 1.024 110 T CB 2.139 70.966 68.868 -0.068 0.000 1.090 110 T HN 0.876 9.116 8.240 -0.000 0.000 0.496 111 G N -0.276 108.356 108.800 -0.281 0.000 3.211 111 G HA2 0.685 4.644 3.960 -0.001 0.000 0.167 111 G HA3 0.685 4.644 3.960 -0.001 0.000 0.167 111 G C 0.227 174.864 174.900 -0.438 0.000 1.212 111 G CA -0.453 44.460 45.100 -0.311 0.000 0.928 111 G HN 0.911 9.201 8.290 -0.000 0.000 0.607 112 G N -1.599 106.989 108.800 -0.354 0.000 2.606 112 G HA2 0.416 4.376 3.960 -0.001 0.000 0.252 112 G HA3 0.416 4.376 3.960 -0.001 0.000 0.252 112 G C -0.286 174.464 174.900 -0.250 0.000 1.206 112 G CA -0.049 44.835 45.100 -0.360 0.000 0.861 112 G HN 0.185 8.475 8.290 -0.000 0.000 0.561 113 F N -1.219 118.631 119.950 -0.166 0.000 2.362 113 F HA 0.369 4.895 4.527 -0.001 0.000 0.264 113 F C 1.092 176.810 175.800 -0.135 0.000 0.905 113 F CA 0.086 57.999 58.000 -0.145 0.000 1.142 113 F CB -0.298 38.636 39.000 -0.110 0.000 1.250 113 F HN 0.396 8.696 8.300 -0.000 0.000 0.771 114 Q N 0.632 120.508 119.800 0.126 0.000 2.394 114 Q HA 0.415 4.754 4.340 -0.001 0.000 0.273 114 Q C -2.786 173.205 176.000 -0.014 0.000 1.089 114 Q CA -2.062 53.758 55.803 0.029 0.000 0.812 114 Q CB 2.681 31.440 28.738 0.034 0.000 1.353 114 Q HN -0.133 8.137 8.270 -0.000 0.000 0.438 115 P HA 0.105 4.525 4.420 -0.000 0.000 0.271 115 P C -0.026 177.253 177.300 -0.035 0.000 1.244 115 P CA 1.212 64.285 63.100 -0.045 0.000 0.793 115 P CB 0.395 32.056 31.700 -0.066 0.000 0.984 116 G N -0.982 107.798 108.800 -0.034 0.000 2.162 116 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.260 116 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.260 116 G C 0.067 174.952 174.900 -0.026 0.000 0.976 116 G CA 0.625 45.709 45.100 -0.027 0.000 0.655 116 G HN 0.812 9.102 8.290 -0.000 0.000 0.533 117 Q N -1.074 118.708 119.800 -0.031 0.000 2.943 117 Q HA 0.775 5.115 4.340 -0.001 0.000 0.328 117 Q C -0.252 175.718 176.000 -0.050 0.000 0.934 117 Q CA -0.062 55.719 55.803 -0.037 0.000 0.782 117 Q CB 1.198 29.915 28.738 -0.035 0.000 1.470 117 Q HN 0.990 9.260 8.270 -0.000 0.000 0.503 118 S N -1.258 114.404 115.700 -0.063 0.000 2.709 118 S HA 0.365 4.835 4.470 -0.001 0.000 0.302 118 S C 0.750 175.278 174.600 -0.120 0.000 1.127 118 S CA 0.112 58.267 58.200 -0.076 0.000 0.905 118 S CB 1.180 64.347 63.200 -0.055 0.000 1.151 118 S HN 0.808 9.118 8.310 -0.000 0.000 0.510 119 T N -1.571 112.903 114.554 -0.134 0.000 3.025 119 T HA 0.021 4.370 4.350 -0.001 0.000 0.270 119 T C 1.835 176.432 174.700 -0.171 0.000 1.126 119 T CA 1.015 62.999 62.100 -0.192 0.000 1.105 119 T CB -0.861 67.910 68.868 -0.162 0.000 0.884 119 T HN 0.912 9.152 8.240 -0.000 0.000 0.522 120 A N 1.920 124.670 122.820 -0.117 0.000 1.873 120 A HA 0.354 4.674 4.320 -0.001 0.000 0.215 120 A C 2.854 180.370 177.584 -0.114 0.000 1.186 120 A CA 1.635 53.611 52.037 -0.101 0.000 0.616 120 A CB -1.451 17.507 19.000 -0.070 0.000 0.823 120 A HN 0.692 8.842 8.150 -0.000 0.000 0.442 121 A N -0.432 122.325 122.820 -0.105 0.000 1.865 121 A HA -0.070 4.249 4.320 -0.001 0.000 0.217 121 A C 2.250 179.762 177.584 -0.120 0.000 1.191 121 A CA 2.004 53.987 52.037 -0.090 0.000 0.623 121 A CB -1.174 17.787 19.000 -0.066 0.000 0.826 121 A HN 0.430 8.580 8.150 -0.000 0.000 0.444 122 V N -0.064 119.729 119.914 -0.202 0.000 2.282 122 V HA -0.318 3.801 4.120 -0.001 0.000 0.249 122 V C 3.088 179.000 176.094 -0.303 0.000 1.057 122 V CA 2.202 64.296 62.300 -0.344 0.000 1.032 122 V CB -1.391 29.998 31.823 -0.724 0.000 0.645 122 V HN 0.662 8.852 8.190 -0.000 0.000 0.447 123 A N -0.089 122.569 122.820 -0.270 0.000 1.892 123 A HA -0.233 4.086 4.320 -0.001 0.000 0.218 123 A C 2.441 179.902 177.584 -0.204 0.000 1.188 123 A CA 2.653 54.548 52.037 -0.237 0.000 0.631 123 A CB -0.976 17.920 19.000 -0.175 0.000 0.822 123 A HN 0.628 8.778 8.150 -0.000 0.000 0.447 124 A N -0.344 122.385 122.820 -0.151 0.000 1.851 124 A HA -0.088 4.232 4.320 -0.001 0.000 0.216 124 A C 2.209 179.719 177.584 -0.124 0.000 1.195 124 A CA 1.611 53.576 52.037 -0.119 0.000 0.622 124 A CB -0.806 18.142 19.000 -0.087 0.000 0.831 124 A HN 0.488 8.638 8.150 -0.000 0.000 0.444 125 L N -0.674 120.488 121.223 -0.102 0.000 1.978 125 L HA -0.243 4.096 4.340 -0.001 0.000 0.218 125 L C 2.553 179.334 176.870 -0.149 0.000 1.075 125 L CA 1.700 56.497 54.840 -0.072 0.000 0.767 125 L CB -0.742 41.333 42.059 0.027 0.000 0.890 125 L HN 0.265 8.495 8.230 -0.000 0.000 0.434 126 V N -0.163 119.592 119.914 -0.264 0.000 2.469 126 V HA -0.327 3.793 4.120 -0.001 0.000 0.251 126 V C 2.643 178.464 176.094 -0.455 0.000 1.064 126 V CA 1.807 63.750 62.300 -0.595 0.000 1.066 126 V CB -0.693 30.543 31.823 -0.977 0.000 0.667 126 V HN 0.525 8.715 8.190 -0.000 0.000 0.461 127 A N -0.928 121.714 122.820 -0.297 0.000 1.930 127 A HA -0.235 4.085 4.320 -0.001 0.000 0.217 127 A C 2.242 179.733 177.584 -0.155 0.000 1.175 127 A CA 1.850 53.761 52.037 -0.210 0.000 0.627 127 A CB -0.394 18.520 19.000 -0.143 0.000 0.815 127 A HN 0.621 8.771 8.150 -0.000 0.000 0.443 128 E N -0.151 119.972 120.200 -0.129 0.000 2.001 128 E HA -0.113 4.237 4.350 -0.001 0.000 0.195 128 E C 2.226 178.778 176.600 -0.080 0.000 1.002 128 E CA 0.987 57.337 56.400 -0.083 0.000 0.819 128 E CB -0.294 29.366 29.700 -0.066 0.000 0.769 128 E HN 0.474 8.834 8.360 -0.000 0.000 0.454 129 A N 0.683 123.453 122.820 -0.084 0.000 2.042 129 A HA -0.219 4.101 4.320 -0.001 0.000 0.222 129 A C 2.173 179.714 177.584 -0.071 0.000 1.167 129 A CA 2.229 54.239 52.037 -0.044 0.000 0.649 129 A CB -0.642 18.361 19.000 0.006 0.000 0.809 129 A HN 0.409 8.559 8.150 -0.000 0.000 0.457 130 S N -2.146 113.446 115.700 -0.180 0.000 2.575 130 S HA 0.263 4.732 4.470 -0.001 0.000 0.215 130 S C 0.624 175.170 174.600 -0.090 0.000 0.966 130 S CA 0.719 58.724 58.200 -0.325 0.000 0.911 130 S CB -0.345 62.389 63.200 -0.777 0.000 0.780 130 S HN 0.871 9.181 8.310 -0.000 0.000 0.514 131 S N 0.745 116.416 115.700 -0.047 0.000 3.698 131 S HA -0.138 4.332 4.470 -0.001 0.000 0.338 131 S C 0.035 174.647 174.600 0.021 0.000 1.089 131 S CA 0.587 58.791 58.200 0.006 0.000 0.991 131 S CB -2.287 60.942 63.200 0.048 0.000 0.909 131 S HN 0.685 8.995 8.310 -0.000 0.000 0.485 132 S N 0.676 116.369 115.700 -0.013 0.000 2.475 132 S HA 0.276 4.746 4.470 -0.001 0.000 0.281 132 S C 1.237 175.845 174.600 0.013 0.000 1.198 132 S CA -0.847 57.363 58.200 0.017 0.000 1.063 132 S CB 1.359 64.548 63.200 -0.019 0.000 0.972 132 S HN 0.422 8.732 8.310 -0.000 0.000 0.486 133 K N 1.325 121.750 120.400 0.040 0.000 2.305 133 K HA 0.048 4.368 4.320 -0.001 0.000 0.199 133 K C 0.071 176.686 176.600 0.025 0.000 1.047 133 K CA 0.711 57.016 56.287 0.030 0.000 0.976 133 K CB 0.228 32.752 32.500 0.040 0.000 0.765 133 K HN 0.460 8.710 8.250 -0.000 0.000 0.474 134 T N 1.340 115.917 114.554 0.037 0.000 2.824 134 T HA 0.373 4.723 4.350 -0.001 0.000 0.282 134 T C -1.344 173.352 174.700 -0.007 0.000 0.993 134 T CA -0.734 61.377 62.100 0.020 0.000 0.967 134 T CB 1.882 70.777 68.868 0.045 0.000 0.960 134 T HN -0.104 8.136 8.240 -0.000 0.000 0.441 135 L N 4.446 125.649 121.223 -0.032 0.000 2.345 135 L HA 0.616 4.955 4.340 -0.001 0.000 0.274 135 L C -0.987 175.846 176.870 -0.060 0.000 0.999 135 L CA -0.661 54.146 54.840 -0.054 0.000 0.849 135 L CB 0.920 42.938 42.059 -0.068 0.000 1.220 135 L HN 0.454 8.684 8.230 -0.000 0.000 0.422 136 V N 6.037 125.911 119.914 -0.066 0.000 2.408 136 V HA 0.294 4.414 4.120 -0.001 0.000 0.267 136 V C 0.099 176.148 176.094 -0.075 0.000 1.047 136 V CA -0.456 61.800 62.300 -0.074 0.000 0.937 136 V CB 1.319 33.091 31.823 -0.085 0.000 0.999 136 V HN 0.509 8.699 8.190 -0.000 0.000 0.472 137 V N 5.498 125.369 119.914 -0.072 0.000 2.277 137 V HA 0.494 4.614 4.120 -0.001 0.000 0.269 137 V C 0.660 176.720 176.094 -0.057 0.000 1.036 137 V CA -0.474 61.787 62.300 -0.064 0.000 0.821 137 V CB 1.083 32.869 31.823 -0.061 0.000 1.052 137 V HN 0.927 9.117 8.190 -0.000 0.000 0.462 138 A N 3.775 126.566 122.820 -0.048 0.000 2.310 138 A HA 0.688 5.008 4.320 -0.001 0.000 0.300 138 A C 0.283 177.902 177.584 0.058 0.000 1.269 138 A CA 0.021 52.046 52.037 -0.020 0.000 0.909 138 A CB 0.773 19.756 19.000 -0.028 0.000 1.144 138 A HN 0.675 8.825 8.150 -0.000 0.000 0.540 139 T N 0.416 114.937 114.554 -0.056 0.000 2.724 139 T HA 0.313 4.663 4.350 -0.001 0.000 0.274 139 T C 0.864 175.154 174.700 -0.683 0.000 0.984 139 T CA -0.049 61.986 62.100 -0.107 0.000 1.024 139 T CB 0.780 69.617 68.868 -0.051 0.000 1.320 139 T HN 0.752 8.992 8.240 -0.000 0.000 0.555 140 N N 0.507 118.849 118.700 -0.597 0.000 2.375 140 N HA 0.303 5.043 4.740 -0.001 0.000 0.220 140 N C -0.250 175.074 175.510 -0.309 0.000 1.170 140 N CA -0.422 52.219 53.050 -0.682 0.000 0.833 140 N CB 0.321 38.665 38.487 -0.239 0.000 1.069 140 N HN 0.123 8.503 8.380 -0.000 0.000 0.479 141 V N 0.177 119.949 119.914 -0.236 0.000 3.102 141 V HA 0.131 4.250 4.120 -0.001 0.000 0.312 141 V C -0.229 175.827 176.094 -0.063 0.000 1.135 141 V CA -0.639 61.614 62.300 -0.080 0.000 1.022 141 V CB 2.249 34.070 31.823 -0.003 0.000 1.056 141 V HN 0.026 8.216 8.190 -0.000 0.000 0.436 142 D N 1.304 121.725 120.400 0.034 0.000 2.349 142 D HA 0.406 5.045 4.640 -0.001 0.000 0.215 142 D C 0.558 176.811 176.300 -0.078 0.000 1.016 142 D CA 1.521 55.517 54.000 -0.006 0.000 0.870 142 D CB 0.734 41.564 40.800 0.050 0.000 0.917 142 D HN 0.845 9.215 8.370 -0.000 0.000 0.524 143 G N -1.470 107.273 108.800 -0.096 0.000 2.368 143 G HA2 0.139 4.099 3.960 -0.001 0.000 0.269 143 G HA3 0.139 4.099 3.960 -0.001 0.000 0.269 143 G C -1.578 173.151 174.900 -0.285 0.000 1.291 143 G CA -0.639 44.331 45.100 -0.218 0.000 0.903 143 G HN -0.074 8.216 8.290 -0.000 0.000 0.483 144 V N 0.702 120.400 119.914 -0.360 0.000 2.472 144 V HA 0.670 4.789 4.120 -0.001 0.000 0.290 144 V C -0.923 174.904 176.094 -0.444 0.000 1.037 144 V CA -0.359 61.777 62.300 -0.273 0.000 0.908 144 V CB 0.902 32.632 31.823 -0.155 0.000 0.985 144 V HN 0.568 8.758 8.190 -0.000 0.000 0.454 145 Y N 2.464 122.736 120.300 -0.046 0.000 2.446 145 Y HA 0.346 4.896 4.550 -0.001 0.000 0.345 145 Y C 1.246 177.113 175.900 -0.054 0.000 0.984 145 Y CA -0.959 57.116 58.100 -0.042 0.000 1.058 145 Y CB 1.628 40.066 38.460 -0.037 0.000 1.220 145 Y HN 0.718 8.998 8.280 -0.000 0.000 0.455 146 E N 1.186 121.437 120.200 0.085 0.000 2.472 146 E HA -0.044 4.306 4.350 -0.001 0.000 0.200 146 E C -0.660 175.918 176.600 -0.037 0.000 1.046 146 E CA 0.807 57.215 56.400 0.013 0.000 0.871 146 E CB 0.201 29.904 29.700 0.005 0.000 0.806 146 E HN 0.593 8.953 8.360 -0.000 0.000 0.533 147 K N 0.604 120.989 120.400 -0.026 0.000 2.546 147 K HA 0.124 4.443 4.320 -0.001 0.000 0.264 147 K C -1.471 175.057 176.600 -0.119 0.000 0.937 147 K CA -0.816 55.355 56.287 -0.192 0.000 0.833 147 K CB 1.623 33.929 32.500 -0.324 0.000 1.378 147 K HN -0.170 8.080 8.250 -0.000 0.000 0.432 148 D N 3.492 123.790 120.400 -0.170 0.000 2.368 148 D HA 0.022 4.661 4.640 -0.001 0.000 0.268 148 D C -1.743 174.508 176.300 -0.081 0.000 1.298 148 D CA -1.635 52.310 54.000 -0.092 0.000 0.938 148 D CB 1.071 41.839 40.800 -0.054 0.000 1.101 148 D HN 0.119 8.489 8.370 -0.000 0.000 0.509 149 P HA -0.166 4.254 4.420 -0.000 0.000 0.216 149 P C 0.878 178.102 177.300 -0.126 0.000 1.150 149 P CA 1.190 64.126 63.100 -0.273 0.000 0.843 149 P CB -0.037 31.260 31.700 -0.672 0.000 0.787 150 R N -0.880 119.559 120.500 -0.101 0.000 2.328 150 R HA 0.173 4.512 4.340 -0.001 0.000 0.206 150 R C 1.040 177.341 176.300 0.002 0.000 0.990 150 R CA 0.716 56.786 56.100 -0.050 0.000 1.085 150 R CB -0.710 29.561 30.300 -0.050 0.000 0.998 150 R HN 0.270 8.540 8.270 -0.000 0.000 0.484 151 I N -1.611 118.996 120.570 0.062 0.000 4.547 151 I HA 0.118 4.288 4.170 -0.001 0.000 0.303 151 I C -0.175 176.035 176.117 0.155 0.000 1.188 151 I CA -0.397 60.977 61.300 0.124 0.000 1.320 151 I CB 0.598 38.730 38.000 0.218 0.000 1.495 151 I HN -0.037 8.173 8.210 -0.000 0.000 0.462 152 Y N 2.825 123.092 120.300 -0.055 0.000 2.454 152 Y HA 0.601 5.151 4.550 -0.001 0.000 0.345 152 Y C 0.574 176.439 175.900 -0.059 0.000 0.970 152 Y CA -1.025 57.048 58.100 -0.045 0.000 1.204 152 Y CB 0.982 39.423 38.460 -0.032 0.000 1.122 152 Y HN 0.057 8.337 8.280 -0.000 0.000 0.514 153 A N 2.761 125.585 122.820 0.008 0.000 2.363 153 A HA 0.336 4.655 4.320 -0.001 0.000 0.270 153 A C -0.022 177.568 177.584 0.011 0.000 1.121 153 A CA -0.462 51.568 52.037 -0.012 0.000 0.800 153 A CB -0.015 18.961 19.000 -0.040 0.000 1.052 153 A HN 0.898 9.048 8.150 -0.000 0.000 0.493 154 D N 0.061 120.466 120.400 0.008 0.000 2.760 154 D HA -0.117 4.523 4.640 -0.001 0.000 0.244 154 D C -0.538 175.795 176.300 0.055 0.000 1.123 154 D CA 1.108 55.123 54.000 0.025 0.000 0.719 154 D CB -1.522 39.288 40.800 0.016 0.000 1.045 154 D HN 0.315 8.685 8.370 -0.000 0.000 0.426 155 V N 0.285 120.238 119.914 0.065 0.000 2.547 155 V HA 0.426 4.546 4.120 -0.001 0.000 0.299 155 V C 0.685 176.874 176.094 0.157 0.000 1.040 155 V CA -0.707 61.657 62.300 0.107 0.000 0.913 155 V CB 2.159 34.041 31.823 0.098 0.000 0.992 155 V HN 0.031 8.221 8.190 -0.000 0.000 0.449 156 K N 2.842 123.344 120.400 0.170 0.000 2.098 156 K HA 0.544 4.864 4.320 -0.001 0.000 0.261 156 K C -0.720 176.011 176.600 0.218 0.000 0.987 156 K CA -0.377 56.014 56.287 0.173 0.000 0.916 156 K CB 1.320 33.873 32.500 0.088 0.000 1.039 156 K HN 0.616 8.866 8.250 -0.000 0.000 0.455 157 L N 4.458 125.738 121.223 0.095 0.000 2.326 157 L HA 0.443 4.782 4.340 -0.001 0.000 0.278 157 L C -0.734 176.018 176.870 -0.197 0.000 1.092 157 L CA -0.437 54.223 54.840 -0.300 0.000 0.810 157 L CB 0.534 42.371 42.059 -0.370 0.000 1.153 157 L HN 0.611 8.841 8.230 -0.000 0.000 0.439 158 I N 7.558 127.976 120.570 -0.253 0.000 2.291 158 I HA 0.222 4.392 4.170 -0.001 0.000 0.292 158 I C -1.344 174.683 176.117 -0.149 0.000 1.064 158 I CA -1.508 59.711 61.300 -0.135 0.000 1.269 158 I CB 0.973 38.910 38.000 -0.105 0.000 1.418 158 I HN 0.578 8.788 8.210 -0.000 0.000 0.485 159 P HA -0.049 4.371 4.420 -0.000 0.000 0.229 159 P C -0.251 176.797 177.300 -0.420 0.000 1.160 159 P CA 1.084 64.089 63.100 -0.158 0.000 0.777 159 P CB 0.228 31.942 31.700 0.023 0.000 0.814 160 H N -0.387 118.647 119.070 -0.061 0.000 2.947 160 H HA 0.600 5.156 4.556 -0.001 0.000 0.354 160 H C -0.212 175.089 175.328 -0.045 0.000 1.085 160 H CA -0.697 55.322 56.048 -0.048 0.000 1.253 160 H CB 1.506 31.247 29.762 -0.035 0.000 1.757 160 H HN -0.114 8.166 8.280 -0.000 0.000 0.523 161 L N -0.896 120.354 121.223 0.045 0.000 2.671 161 L HA 0.815 5.155 4.340 -0.001 0.000 0.259 161 L C -0.471 176.404 176.870 0.008 0.000 1.021 161 L CA -1.200 53.650 54.840 0.017 0.000 0.871 161 L CB 2.139 44.188 42.059 -0.016 0.000 1.472 161 L HN 0.667 8.897 8.230 -0.000 0.000 0.410 162 T N -3.653 110.902 114.554 0.003 0.000 2.897 162 T HA 0.355 4.705 4.350 -0.001 0.000 0.278 162 T C 1.156 175.848 174.700 -0.013 0.000 0.981 162 T CA 0.160 62.258 62.100 -0.002 0.000 0.973 162 T CB 1.269 70.136 68.868 -0.001 0.000 1.092 162 T HN 0.857 9.097 8.240 -0.000 0.000 0.543 163 T N -0.972 113.574 114.554 -0.014 0.000 2.881 163 T HA -0.146 4.204 4.350 -0.001 0.000 0.270 163 T C 1.852 176.541 174.700 -0.018 0.000 1.068 163 T CA 1.118 63.206 62.100 -0.019 0.000 1.131 163 T CB -0.476 68.381 68.868 -0.019 0.000 0.871 163 T HN 0.649 8.889 8.240 -0.000 0.000 0.479 164 Q N 0.767 120.559 119.800 -0.014 0.000 2.046 164 Q HA -0.131 4.208 4.340 -0.001 0.000 0.200 164 Q C 2.162 178.153 176.000 -0.014 0.000 0.975 164 Q CA 1.559 57.354 55.803 -0.013 0.000 0.836 164 Q CB -0.147 28.585 28.738 -0.010 0.000 0.896 164 Q HN 0.606 8.876 8.270 -0.000 0.000 0.428 165 D N 0.906 121.298 120.400 -0.013 0.000 2.087 165 D HA -0.205 4.434 4.640 -0.001 0.000 0.192 165 D C 1.992 178.279 176.300 -0.020 0.000 0.993 165 D CA 0.905 54.896 54.000 -0.015 0.000 0.828 165 D CB -0.416 40.376 40.800 -0.013 0.000 0.968 165 D HN 0.173 8.543 8.370 -0.000 0.000 0.448 166 L N 0.951 122.159 121.223 -0.024 0.000 2.089 166 L HA -0.253 4.086 4.340 -0.001 0.000 0.213 166 L C 2.642 179.497 176.870 -0.025 0.000 1.079 166 L CA 1.383 56.206 54.840 -0.029 0.000 0.758 166 L CB 0.016 42.055 42.059 -0.033 0.000 0.891 166 L HN -0.021 8.209 8.230 -0.000 0.000 0.433 167 R N 0.085 120.572 120.500 -0.022 0.000 2.088 167 R HA -0.204 4.136 4.340 -0.001 0.000 0.232 167 R C 2.202 178.490 176.300 -0.020 0.000 1.136 167 R CA 1.971 58.059 56.100 -0.020 0.000 0.926 167 R CB -0.629 29.661 30.300 -0.017 0.000 0.837 167 R HN 0.462 8.732 8.270 -0.000 0.000 0.429 168 K N 0.308 120.697 120.400 -0.018 0.000 2.032 168 K HA -0.218 4.101 4.320 -0.001 0.000 0.218 168 K C 2.203 178.789 176.600 -0.023 0.000 1.054 168 K CA 1.937 58.213 56.287 -0.018 0.000 0.941 168 K CB -0.584 31.906 32.500 -0.016 0.000 0.720 168 K HN 0.010 8.260 8.250 -0.000 0.000 0.449 169 I N 1.481 122.035 120.570 -0.026 0.000 2.121 169 I HA -0.285 3.885 4.170 -0.001 0.000 0.243 169 I C 1.543 177.640 176.117 -0.034 0.000 1.047 169 I CA 1.547 62.827 61.300 -0.033 0.000 1.308 169 I CB -0.691 37.291 38.000 -0.029 0.000 1.015 169 I HN 0.109 8.319 8.210 -0.000 0.000 0.410 184 L N 2.162 123.366 121.223 -0.031 0.000 2.476 184 L HA 0.348 4.687 4.340 -0.001 0.000 0.269 184 L C -1.141 175.710 176.870 -0.033 0.000 0.965 184 L CA -0.840 53.978 54.840 -0.037 0.000 0.845 184 L CB 1.928 43.963 42.059 -0.040 0.000 1.259 184 L HN 0.156 8.386 8.230 -0.000 0.000 0.403 185 D N 3.513 123.892 120.400 -0.035 0.000 2.433 185 D HA 0.244 4.884 4.640 -0.001 0.000 0.255 185 D C -1.994 174.289 176.300 -0.030 0.000 1.226 185 D CA -1.352 52.630 54.000 -0.030 0.000 1.015 185 D CB 1.017 41.798 40.800 -0.031 0.000 1.091 185 D HN 0.202 8.572 8.370 -0.000 0.000 0.527 186 P HA -0.217 4.203 4.420 -0.000 0.000 0.213 186 P C 1.961 179.246 177.300 -0.026 0.000 1.170 186 P CA 0.919 64.005 63.100 -0.024 0.000 0.902 186 P CB 0.012 31.701 31.700 -0.020 0.000 0.789 187 L N 0.127 121.334 121.223 -0.027 0.000 2.013 187 L HA -0.150 4.189 4.340 -0.001 0.000 0.212 187 L C 2.585 179.435 176.870 -0.033 0.000 1.073 187 L CA 2.391 57.214 54.840 -0.027 0.000 0.753 187 L CB -1.654 40.389 42.059 -0.025 0.000 0.890 187 L HN -0.037 8.193 8.230 -0.000 0.000 0.432 188 A N -0.215 122.580 122.820 -0.040 0.000 1.883 188 A HA -0.210 4.109 4.320 -0.001 0.000 0.217 188 A C 2.260 179.819 177.584 -0.043 0.000 1.186 188 A CA 2.271 54.279 52.037 -0.049 0.000 0.624 188 A CB -0.947 18.019 19.000 -0.056 0.000 0.822 188 A HN 0.562 8.712 8.150 -0.000 0.000 0.444 189 I N -0.609 119.939 120.570 -0.037 0.000 2.179 189 I HA -0.266 3.903 4.170 -0.001 0.000 0.242 189 I C 2.523 178.622 176.117 -0.029 0.000 1.088 189 I CA 1.840 63.121 61.300 -0.033 0.000 1.357 189 I CB -0.382 37.601 38.000 -0.028 0.000 1.051 189 I HN 0.392 8.602 8.210 -0.000 0.000 0.409 190 K N 1.377 121.760 120.400 -0.027 0.000 2.044 190 K HA -0.226 4.094 4.320 -0.001 0.000 0.210 190 K C 2.155 178.739 176.600 -0.026 0.000 1.049 190 K CA 1.708 57.981 56.287 -0.024 0.000 0.927 190 K CB 0.026 32.513 32.500 -0.022 0.000 0.713 190 K HN 0.157 8.407 8.250 -0.000 0.000 0.443 191 I N 1.466 122.018 120.570 -0.031 0.000 2.163 191 I HA -0.221 3.948 4.170 -0.001 0.000 0.240 191 I C 2.573 178.668 176.117 -0.035 0.000 1.081 191 I CA 1.300 62.579 61.300 -0.034 0.000 1.353 191 I CB -1.466 36.509 38.000 -0.042 0.000 1.054 191 I HN 0.195 8.405 8.210 -0.000 0.000 0.407 192 V N -1.068 118.823 119.914 -0.039 0.000 2.568 192 V HA -0.216 3.904 4.120 -0.001 0.000 0.253 192 V C 2.121 178.199 176.094 -0.028 0.000 1.072 192 V CA 1.590 63.868 62.300 -0.037 0.000 1.084 192 V CB -0.979 30.820 31.823 -0.040 0.000 0.676 192 V HN 0.403 8.593 8.190 -0.000 0.000 0.469 193 E N 1.267 121.451 120.200 -0.025 0.000 2.021 193 E HA -0.144 4.205 4.350 -0.001 0.000 0.189 193 E C 2.465 179.055 176.600 -0.018 0.000 0.980 193 E CA 1.217 57.605 56.400 -0.020 0.000 0.803 193 E CB -0.258 29.431 29.700 -0.019 0.000 0.766 193 E HN 0.767 9.127 8.360 -0.000 0.000 0.449 194 R N 0.396 120.885 120.500 -0.019 0.000 2.159 194 R HA -0.029 4.310 4.340 -0.001 0.000 0.237 194 R C 1.530 177.820 176.300 -0.016 0.000 1.131 194 R CA 1.689 57.779 56.100 -0.016 0.000 0.982 194 R CB -0.151 30.138 30.300 -0.017 0.000 0.868 194 R HN -0.093 8.177 8.270 -0.000 0.000 0.453 195 S N 0.079 115.767 115.700 -0.019 0.000 2.554 195 S HA 0.201 4.671 4.470 -0.001 0.000 0.226 195 S C -0.583 174.007 174.600 -0.016 0.000 0.980 195 S CA -0.445 57.744 58.200 -0.018 0.000 0.939 195 S CB 0.371 63.556 63.200 -0.025 0.000 0.832 195 S HN 0.318 8.628 8.310 -0.000 0.000 0.486 196 K N 1.438 121.829 120.400 -0.015 0.000 3.689 196 K HA -0.170 4.149 4.320 -0.001 0.000 0.276 196 K C -0.936 175.657 176.600 -0.011 0.000 0.932 196 K CA 0.449 56.729 56.287 -0.012 0.000 0.758 196 K CB -1.610 30.886 32.500 -0.007 0.000 1.500 196 K HN 0.439 8.689 8.250 -0.000 0.000 0.448 197 I N 1.583 122.142 120.570 -0.018 0.000 2.336 197 I HA 0.191 4.361 4.170 -0.001 0.000 0.292 197 I C 0.800 176.905 176.117 -0.020 0.000 0.991 197 I CA -0.801 60.488 61.300 -0.019 0.000 1.227 197 I CB 1.311 39.291 38.000 -0.033 0.000 1.366 197 I HN 0.212 8.422 8.210 -0.000 0.000 0.466 198 R N 6.114 126.607 120.500 -0.013 0.000 2.265 198 R HA 0.532 4.872 4.340 -0.001 0.000 0.314 198 R C -1.425 174.857 176.300 -0.029 0.000 1.053 198 R CA -0.488 55.602 56.100 -0.016 0.000 0.931 198 R CB 0.998 31.296 30.300 -0.004 0.000 1.024 198 R HN 0.376 8.646 8.270 -0.000 0.000 0.457 199 V N 5.662 125.551 119.914 -0.041 0.000 2.465 199 V HA 0.271 4.390 4.120 -0.001 0.000 0.279 199 V C -0.112 175.942 176.094 -0.067 0.000 1.045 199 V CA -0.720 61.548 62.300 -0.054 0.000 0.938 199 V CB 1.163 32.952 31.823 -0.057 0.000 0.986 199 V HN 0.657 8.847 8.190 -0.000 0.000 0.467 200 I N 5.517 126.045 120.570 -0.071 0.000 2.359 200 I HA 0.317 4.486 4.170 -0.001 0.000 0.284 200 I C -0.015 176.049 176.117 -0.089 0.000 1.018 200 I CA -0.063 61.185 61.300 -0.087 0.000 1.173 200 I CB 1.683 39.635 38.000 -0.080 0.000 1.326 200 I HN 0.290 8.500 8.210 -0.000 0.000 0.462 201 V N 8.083 127.937 119.914 -0.101 0.000 2.461 201 V HA 0.587 4.707 4.120 -0.001 0.000 0.275 201 V C 0.285 176.317 176.094 -0.104 0.000 1.047 201 V CA -0.288 61.953 62.300 -0.097 0.000 0.955 201 V CB 0.913 32.676 31.823 -0.100 0.000 0.988 201 V HN 0.827 9.017 8.190 -0.000 0.000 0.471 202 M N 3.082 122.627 119.600 -0.093 0.000 2.755 202 M HA 0.625 5.104 4.480 -0.001 0.000 0.273 202 M C -0.876 175.362 176.300 -0.104 0.000 1.278 202 M CA -0.734 54.512 55.300 -0.091 0.000 0.819 202 M CB 1.941 34.495 32.600 -0.077 0.000 1.694 202 M HN 0.299 8.589 8.290 -0.000 0.000 0.460 203 N N 0.892 119.528 118.700 -0.107 0.000 2.419 203 N HA 0.198 4.938 4.740 -0.001 0.000 0.264 203 N C -0.111 175.345 175.510 -0.090 0.000 1.031 203 N CA -0.231 52.713 53.050 -0.177 0.000 0.951 203 N CB 0.851 39.255 38.487 -0.138 0.000 1.101 203 N HN 0.855 9.235 8.380 -0.000 0.000 0.488 204 Y N 2.712 123.006 120.300 -0.009 0.000 2.569 204 Y HA 0.031 4.581 4.550 -0.001 0.000 0.293 204 Y C 1.864 177.802 175.900 0.064 0.000 1.144 204 Y CA 0.384 58.475 58.100 -0.014 0.000 1.321 204 Y CB -0.450 37.994 38.460 -0.027 0.000 0.982 204 Y HN 0.416 8.696 8.280 -0.000 0.000 0.558 205 R N 1.564 122.234 120.500 0.283 0.000 2.280 205 R HA 0.051 4.390 4.340 -0.001 0.000 0.207 205 R C 0.880 177.251 176.300 0.120 0.000 1.043 205 R CA 0.865 57.100 56.100 0.224 0.000 1.006 205 R CB -0.178 30.186 30.300 0.107 0.000 0.885 205 R HN 0.409 8.679 8.270 -0.000 0.000 0.467 206 K N -0.365 120.082 120.400 0.078 0.000 2.399 206 K HA 0.174 4.494 4.320 -0.001 0.000 0.204 206 K C 0.924 177.542 176.600 0.030 0.000 1.023 206 K CA -0.173 56.137 56.287 0.038 0.000 1.127 206 K CB 0.429 32.933 32.500 0.006 0.000 0.856 206 K HN 0.119 8.369 8.250 -0.000 0.000 0.514 207 L N 2.056 123.310 121.223 0.052 0.000 2.189 207 L HA -0.245 4.094 4.340 -0.001 0.000 0.214 207 L C 1.693 178.567 176.870 0.006 0.000 1.097 207 L CA 1.110 55.959 54.840 0.014 0.000 0.764 207 L CB -0.444 41.622 42.059 0.012 0.000 0.900 207 L HN 0.442 8.672 8.230 -0.000 0.000 0.436 208 N N -0.477 118.238 118.700 0.025 0.000 2.521 208 N HA -0.131 4.608 4.740 -0.001 0.000 0.188 208 N C 1.153 176.667 175.510 0.008 0.000 1.146 208 N CA 0.495 53.556 53.050 0.019 0.000 0.893 208 N CB -0.006 38.500 38.487 0.031 0.000 0.975 208 N HN 0.254 8.634 8.380 -0.000 0.000 0.451 209 R N 0.061 120.561 120.500 -0.000 0.000 2.596 209 R HA 0.210 4.550 4.340 -0.001 0.000 0.369 209 R C 1.175 177.460 176.300 -0.025 0.000 1.042 209 R CA -0.460 55.636 56.100 -0.007 0.000 1.120 209 R CB -0.408 29.891 30.300 -0.002 0.000 1.353 209 R HN 0.135 8.405 8.270 -0.000 0.000 0.564 210 I N 1.298 121.844 120.570 -0.040 0.000 2.248 210 I HA -0.307 3.862 4.170 -0.001 0.000 0.248 210 I C 1.631 177.693 176.117 -0.091 0.000 1.107 210 I CA 1.635 62.890 61.300 -0.075 0.000 1.373 210 I CB 0.080 38.019 38.000 -0.102 0.000 1.055 210 I HN 0.004 8.214 8.210 -0.000 0.000 0.418 211 I N 0.739 121.267 120.570 -0.071 0.000 2.127 211 I HA -0.306 3.863 4.170 -0.001 0.000 0.241 211 I C 2.178 178.284 176.117 -0.019 0.000 1.075 211 I CA 1.735 63.005 61.300 -0.052 0.000 1.334 211 I CB -1.949 36.050 38.000 -0.002 0.000 1.040 211 I HN 0.315 8.525 8.210 -0.000 0.000 0.405 212 D N 0.969 121.363 120.400 -0.009 0.000 2.178 212 D HA -0.138 4.502 4.640 -0.001 0.000 0.201 212 D C 2.329 178.623 176.300 -0.009 0.000 0.980 212 D CA 0.964 54.965 54.000 0.001 0.000 0.842 212 D CB 0.019 40.821 40.800 0.002 0.000 0.948 212 D HN 0.265 8.635 8.370 -0.000 0.000 0.472 213 I N 1.086 121.639 120.570 -0.028 0.000 2.208 213 I HA -0.213 3.956 4.170 -0.001 0.000 0.245 213 I C 2.526 178.621 176.117 -0.036 0.000 1.097 213 I CA 0.802 62.078 61.300 -0.040 0.000 1.363 213 I CB -0.909 37.057 38.000 -0.057 0.000 1.051 213 I HN 0.059 8.269 8.210 -0.000 0.000 0.413 214 L N 0.294 121.494 121.223 -0.038 0.000 2.275 214 L HA -0.148 4.191 4.340 -0.001 0.000 0.215 214 L C 2.141 179.029 176.870 0.031 0.000 1.119 214 L CA 1.053 55.884 54.840 -0.014 0.000 0.790 214 L CB -0.388 41.649 42.059 -0.036 0.000 0.919 214 L HN 0.231 8.461 8.230 -0.000 0.000 0.443 215 K N 0.006 120.425 120.400 0.031 0.000 2.426 215 K HA 0.164 4.483 4.320 -0.001 0.000 0.193 215 K C 1.014 177.635 176.600 0.036 0.000 1.028 215 K CA 0.530 56.844 56.287 0.044 0.000 1.047 215 K CB 0.285 32.811 32.500 0.044 0.000 0.821 215 K HN 0.288 8.538 8.250 -0.000 0.000 0.513 216 G N 2.561 111.373 108.800 0.018 0.000 2.289 216 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.280 216 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.280 216 G C 0.069 174.983 174.900 0.024 0.000 1.089 216 G CA 0.335 45.445 45.100 0.016 0.000 0.939 216 G HN 0.459 8.749 8.290 -0.000 0.000 0.499 217 E N -0.656 119.551 120.200 0.012 0.000 2.693 217 E HA 0.333 4.683 4.350 -0.001 0.000 0.214 217 E C 0.351 176.954 176.600 0.005 0.000 0.990 217 E CA 0.142 56.551 56.400 0.014 0.000 1.047 217 E CB 0.467 30.177 29.700 0.018 0.000 1.039 217 E HN 0.523 8.883 8.360 -0.000 0.000 0.475 218 E N -0.991 119.204 120.200 -0.007 0.000 2.433 218 E HA 0.209 4.558 4.350 -0.001 0.000 0.278 218 E C -1.227 175.356 176.600 -0.028 0.000 0.976 218 E CA -0.771 55.621 56.400 -0.013 0.000 0.793 218 E CB 1.787 31.479 29.700 -0.014 0.000 1.311 218 E HN -0.121 8.239 8.360 -0.000 0.000 0.460 219 V N 3.184 123.081 119.914 -0.028 0.000 2.555 219 V HA 0.326 4.445 4.120 -0.001 0.000 0.299 219 V C -0.175 175.878 176.094 -0.070 0.000 1.012 219 V CA 1.564 63.837 62.300 -0.044 0.000 1.180 219 V CB -0.952 30.852 31.823 -0.031 0.000 0.887 219 V HN 0.701 8.891 8.190 -0.000 0.000 0.476 220 S N 3.228 118.867 115.700 -0.103 0.000 2.614 220 S HA 0.435 4.904 4.470 -0.001 0.000 0.280 220 S C -0.965 173.522 174.600 -0.188 0.000 1.111 220 S CA -0.916 57.205 58.200 -0.132 0.000 0.847 220 S CB 1.636 64.768 63.200 -0.114 0.000 1.079 220 S HN 0.465 8.775 8.310 -0.000 0.000 0.452 221 S N 1.474 117.054 115.700 -0.200 0.000 2.448 221 S HA 0.492 4.962 4.470 -0.001 0.000 0.320 221 S C -0.254 174.213 174.600 -0.221 0.000 1.071 221 S CA -0.662 57.397 58.200 -0.235 0.000 1.113 221 S CB -0.027 63.041 63.200 -0.220 0.000 0.972 221 S HN 0.604 8.914 8.310 -0.000 0.000 0.465 222 I N 4.270 124.657 120.570 -0.305 0.000 2.282 222 I HA 0.222 4.392 4.170 -0.001 0.000 0.290 222 I C -0.648 175.380 176.117 -0.148 0.000 1.090 222 I CA -0.614 60.550 61.300 -0.226 0.000 1.231 222 I CB 0.211 38.053 38.000 -0.262 0.000 1.434 222 I HN 0.438 8.648 8.210 -0.000 0.000 0.487 223 I N 6.310 126.822 120.570 -0.097 0.000 2.517 223 I HA 0.026 4.196 4.170 -0.001 0.000 0.285 223 I C 0.749 176.848 176.117 -0.030 0.000 1.106 223 I CA 0.363 61.628 61.300 -0.058 0.000 1.402 223 I CB -0.031 37.936 38.000 -0.055 0.000 1.399 223 I HN 0.404 8.614 8.210 -0.000 0.000 0.535 224 E N 8.540 128.737 120.200 -0.006 0.000 2.231 224 E HA 0.368 4.717 4.350 -0.001 0.000 0.277 224 E C -2.328 174.271 176.600 -0.002 0.000 0.999 224 E CA -2.165 54.239 56.400 0.007 0.000 0.827 224 E CB 1.034 30.753 29.700 0.031 0.000 1.101 224 E HN 0.271 8.631 8.360 -0.000 0.000 0.393 225 P HA 0.124 4.544 4.420 -0.000 0.000 0.287 225 P C -0.390 176.908 177.300 -0.004 0.000 1.281 225 P CA -0.231 62.865 63.100 -0.007 0.000 0.781 225 P CB 0.976 32.672 31.700 -0.008 0.000 0.903 226 V N 0.000 119.910 119.914 -0.006 0.000 2.409 226 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 226 V CA 0.000 62.297 62.300 -0.005 0.000 1.235 226 V CB 0.000 31.821 31.823 -0.003 0.000 1.184 226 V HN 0.000 8.190 8.190 -0.000 0.000 0.556