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 1qmu_1_A DATA FIRST_RESID 4 DATA SEQUENCE QAVQPVDFRH HHFSDMEIFL RRYANEYPSI TRLYSVGKSV ELRELYVMEI DATA SEQUENCE SDNPGIHEAG EPEFKYIGNM HGNEVVGREL LLNLIEYLCK NFGTDPEVTD DATA SEQUENCE LVQSTRIHIM PSMNPDGYEK SQEGDRGGTV GRNNSNNYDL NRNFPDQFFQ DATA SEQUENCE VTDPPQPETL AVMSWLKTYP FVLSANLHGG SLVVNYPFDD DEQGIAIYSK DATA SEQUENCE SPDDAVFQQL ALSYSKENKK MYQGSPcKDL YPTEYFPHGI TNGAQWYNVP DATA SEQUENCE GGMQDWNYLN TNCFEVTIEL GcVKYPKAEE LPKYWEQNRR SLLQFIKQVH DATA SEQUENCE RGIWGFVLDA TDGRGILNAT ISVADINHPV TTYKDGDYWR LLVQGTYKVT DATA SEQUENCE ASARGYDPVT KTVEVDSKGG VQVNFTLSRT 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 4 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 4 Q C 0.000 176.030 176.000 0.050 0.000 1.003 4 Q CA 0.000 55.830 55.803 0.044 0.000 1.022 4 Q CB 0.000 28.756 28.738 0.030 0.000 1.108 5 A N 1.291 124.153 122.820 0.069 0.000 2.483 5 A HA 0.472 4.794 4.320 0.003 0.000 0.238 5 A C -0.091 177.544 177.584 0.085 0.000 1.070 5 A CA 0.095 52.164 52.037 0.054 0.000 0.770 5 A CB 0.300 19.362 19.000 0.103 0.000 1.008 5 A HN 0.211 8.361 8.150 -0.000 0.000 0.497 6 V N 4.304 124.221 119.914 0.007 0.000 2.455 6 V HA 0.112 4.234 4.120 0.003 0.000 0.273 6 V C 0.337 176.519 176.094 0.146 0.000 1.045 6 V CA -0.302 62.027 62.300 0.048 0.000 0.976 6 V CB 0.626 32.446 31.823 -0.006 0.000 0.993 6 V HN 0.910 9.100 8.190 -0.000 0.000 0.475 7 Q N 5.356 125.297 119.800 0.236 0.000 2.256 7 Q HA 0.428 4.770 4.340 0.003 0.000 0.232 7 Q C -2.189 173.881 176.000 0.116 0.000 0.965 7 Q CA -1.952 54.064 55.803 0.355 0.000 0.908 7 Q CB 0.776 29.756 28.738 0.403 0.000 1.209 7 Q HN 0.456 8.726 8.270 -0.000 0.000 0.489 8 P HA 0.025 4.445 4.420 -0.000 0.000 0.274 8 P C 0.301 177.297 177.300 -0.507 0.000 1.260 8 P CA -0.031 62.813 63.100 -0.425 0.000 0.793 8 P CB 0.622 31.772 31.700 -0.916 0.000 1.048 9 V N -4.201 115.393 119.914 -0.534 0.000 3.245 9 V HA 0.242 4.363 4.120 0.003 0.000 0.246 9 V C 0.646 176.504 176.094 -0.393 0.000 1.487 9 V CA 0.453 62.526 62.300 -0.379 0.000 1.154 9 V CB -0.611 31.147 31.823 -0.109 0.000 0.971 9 V HN 0.213 8.403 8.190 -0.000 0.000 0.443 10 D N 1.930 122.150 120.400 -0.300 0.000 2.598 10 D HA 0.163 4.804 4.640 0.003 0.000 0.231 10 D C -0.755 175.452 176.300 -0.156 0.000 1.127 10 D CA -0.082 53.870 54.000 -0.080 0.000 1.126 10 D CB -0.968 39.950 40.800 0.197 0.000 1.124 10 D HN 0.373 8.743 8.370 -0.000 0.000 0.485 11 F N 3.501 123.459 119.950 0.014 0.000 2.384 11 F HA 0.312 4.840 4.527 0.003 0.000 0.359 11 F C 1.071 176.842 175.800 -0.048 0.000 1.143 11 F CA -0.550 57.437 58.000 -0.021 0.000 1.216 11 F CB -0.018 38.972 39.000 -0.017 0.000 1.512 11 F HN 0.132 8.432 8.300 -0.000 0.000 0.573 12 R N 0.283 120.842 120.500 0.099 0.000 2.728 12 R HA 0.380 4.722 4.340 0.003 0.000 0.274 12 R C -1.462 174.764 176.300 -0.124 0.000 1.030 12 R CA -0.996 55.055 56.100 -0.081 0.000 0.876 12 R CB 1.180 31.401 30.300 -0.131 0.000 1.259 12 R HN 0.161 8.431 8.270 -0.000 0.000 0.468 13 H N 1.478 120.556 119.070 0.013 0.000 2.803 13 H HA 0.178 4.736 4.556 0.003 0.000 0.330 13 H C -0.551 174.735 175.328 -0.069 0.000 1.057 13 H CA 0.328 56.416 56.048 0.067 0.000 1.458 13 H CB 0.569 30.435 29.762 0.172 0.000 1.470 13 H HN 0.428 8.708 8.280 -0.000 0.000 0.560 14 H N 2.605 121.703 119.070 0.046 0.000 2.595 14 H HA 0.191 4.749 4.556 0.003 0.000 0.313 14 H C 0.480 175.758 175.328 -0.083 0.000 1.023 14 H CA -0.418 55.610 56.048 -0.033 0.000 1.218 14 H CB 0.358 30.008 29.762 -0.186 0.000 1.403 14 H HN 0.554 8.834 8.280 -0.000 0.000 0.477 15 H N 1.868 121.096 119.070 0.262 0.000 2.597 15 H HA -0.066 4.491 4.556 0.003 0.000 0.370 15 H C 0.940 176.391 175.328 0.206 0.000 1.281 15 H CA 0.073 56.330 56.048 0.348 0.000 1.422 15 H CB 0.991 30.949 29.762 0.326 0.000 1.524 15 H HN 0.578 8.858 8.280 -0.000 0.000 0.607 16 F N 1.448 121.544 119.950 0.243 0.000 2.045 16 F HA -0.351 4.178 4.527 0.003 0.000 0.297 16 F C 2.855 178.752 175.800 0.162 0.000 1.114 16 F CA 2.228 60.316 58.000 0.146 0.000 1.207 16 F CB -0.523 38.563 39.000 0.143 0.000 0.964 16 F HN 0.489 8.789 8.300 -0.000 0.000 0.486 17 S N -0.167 115.693 115.700 0.267 0.000 2.378 17 S HA -0.278 4.194 4.470 0.003 0.000 0.229 17 S C 1.895 176.534 174.600 0.064 0.000 1.052 17 S CA 2.099 60.394 58.200 0.159 0.000 1.084 17 S CB -0.676 62.632 63.200 0.179 0.000 0.950 17 S HN 0.534 8.844 8.310 -0.000 0.000 0.440 18 D N 0.376 120.844 120.400 0.114 0.000 2.183 18 D HA -0.059 4.583 4.640 0.003 0.000 0.203 18 D C 1.923 178.304 176.300 0.134 0.000 0.969 18 D CA 0.916 54.999 54.000 0.139 0.000 0.842 18 D CB -0.283 40.624 40.800 0.177 0.000 0.957 18 D HN 0.489 8.859 8.370 -0.000 0.000 0.484 19 M N 0.956 120.560 119.600 0.007 0.000 2.175 19 M HA -0.160 4.321 4.480 0.003 0.000 0.264 19 M C 2.125 178.328 176.300 -0.162 0.000 1.063 19 M CA 1.397 56.626 55.300 -0.118 0.000 1.119 19 M CB 0.127 32.572 32.600 -0.258 0.000 1.377 19 M HN -0.138 8.152 8.290 -0.000 0.000 0.415 20 E N 0.706 120.724 120.200 -0.304 0.000 2.031 20 E HA -0.217 4.135 4.350 0.003 0.000 0.193 20 E C 1.854 178.360 176.600 -0.157 0.000 0.994 20 E CA 1.896 58.105 56.400 -0.317 0.000 0.800 20 E CB -0.247 29.306 29.700 -0.244 0.000 0.752 20 E HN 0.631 8.991 8.360 -0.000 0.000 0.447 21 I N 0.410 120.953 120.570 -0.045 0.000 2.091 21 I HA -0.286 3.886 4.170 0.003 0.000 0.239 21 I C 2.364 178.503 176.117 0.037 0.000 1.061 21 I CA 1.443 62.744 61.300 0.003 0.000 1.317 21 I CB -0.472 37.559 38.000 0.052 0.000 1.031 21 I HN 0.224 8.434 8.210 -0.000 0.000 0.401 22 F N 1.613 121.544 119.950 -0.032 0.000 2.063 22 F HA -0.298 4.231 4.527 0.003 0.000 0.298 22 F C 2.321 178.151 175.800 0.050 0.000 1.109 22 F CA 1.881 59.896 58.000 0.025 0.000 1.212 22 F CB -0.373 38.608 39.000 -0.033 0.000 0.973 22 F HN -0.107 8.193 8.300 -0.000 0.000 0.480 23 L N -0.085 121.241 121.223 0.172 0.000 2.012 23 L HA -0.266 4.076 4.340 0.003 0.000 0.210 23 L C 2.669 179.480 176.870 -0.098 0.000 1.073 23 L CA 1.872 56.716 54.840 0.007 0.000 0.748 23 L CB -0.653 41.308 42.059 -0.163 0.000 0.891 23 L HN 0.093 8.323 8.230 -0.000 0.000 0.431 24 R N -0.621 119.787 120.500 -0.153 0.000 2.096 24 R HA -0.171 4.170 4.340 0.003 0.000 0.235 24 R C 2.371 178.589 176.300 -0.136 0.000 1.127 24 R CA 1.204 57.217 56.100 -0.144 0.000 0.968 24 R CB -0.335 29.883 30.300 -0.137 0.000 0.861 24 R HN 0.275 8.545 8.270 -0.000 0.000 0.440 25 R N -0.015 120.374 120.500 -0.185 0.000 2.083 25 R HA -0.198 4.144 4.340 0.003 0.000 0.237 25 R C 1.483 177.556 176.300 -0.378 0.000 1.137 25 R CA 1.716 57.634 56.100 -0.303 0.000 0.951 25 R CB -0.270 29.782 30.300 -0.414 0.000 0.851 25 R HN 0.239 8.509 8.270 -0.000 0.000 0.434 26 Y N -0.072 120.102 120.300 -0.211 0.000 2.314 26 Y HA 0.034 4.586 4.550 0.003 0.000 0.293 26 Y C 2.384 178.296 175.900 0.021 0.000 1.129 26 Y CA 1.038 59.097 58.100 -0.067 0.000 1.201 26 Y CB -0.229 38.090 38.460 -0.236 0.000 0.999 26 Y HN 0.257 8.537 8.280 -0.000 0.000 0.541 27 A N 0.345 123.198 122.820 0.055 0.000 1.930 27 A HA -0.183 4.139 4.320 0.003 0.000 0.217 27 A C 2.002 179.593 177.584 0.012 0.000 1.175 27 A CA 1.900 53.958 52.037 0.035 0.000 0.627 27 A CB -0.503 18.489 19.000 -0.014 0.000 0.815 27 A HN 0.395 8.545 8.150 -0.000 0.000 0.443 28 N N -0.236 118.435 118.700 -0.048 0.000 2.207 28 N HA -0.072 4.670 4.740 0.003 0.000 0.182 28 N C 1.586 177.016 175.510 -0.133 0.000 1.020 28 N CA 1.085 54.086 53.050 -0.082 0.000 0.858 28 N CB -0.358 38.066 38.487 -0.105 0.000 0.991 28 N HN 0.567 8.947 8.380 -0.000 0.000 0.427 29 E N -0.305 119.768 120.200 -0.211 0.000 2.204 29 E HA -0.100 4.252 4.350 0.003 0.000 0.194 29 E C -0.203 176.025 176.600 -0.619 0.000 0.989 29 E CA 0.822 56.943 56.400 -0.465 0.000 0.824 29 E CB 0.127 29.414 29.700 -0.687 0.000 0.756 29 E HN 0.455 8.815 8.360 -0.000 0.000 0.477 30 Y N -0.535 119.732 120.300 -0.054 0.000 2.477 30 Y HA 0.201 4.753 4.550 0.003 0.000 0.340 30 Y C -1.851 174.032 175.900 -0.028 0.000 0.987 30 Y CA -1.903 56.184 58.100 -0.021 0.000 1.127 30 Y CB 0.872 39.334 38.460 0.005 0.000 1.139 30 Y HN 0.005 8.285 8.280 -0.000 0.000 0.637 31 P HA -0.157 4.263 4.420 -0.000 0.000 0.222 31 P C 1.245 178.567 177.300 0.037 0.000 1.147 31 P CA 1.584 64.707 63.100 0.038 0.000 0.790 31 P CB 0.392 32.096 31.700 0.007 0.000 0.780 32 S N -1.575 114.155 115.700 0.049 0.000 2.496 32 S HA 0.040 4.512 4.470 0.003 0.000 0.224 32 S C 1.651 176.245 174.600 -0.009 0.000 0.996 32 S CA 0.321 58.543 58.200 0.037 0.000 0.927 32 S CB -0.577 62.664 63.200 0.069 0.000 0.774 32 S HN -0.038 8.272 8.310 -0.000 0.000 0.524 33 I N 1.977 122.526 120.570 -0.035 0.000 4.288 33 I HA 0.220 4.392 4.170 0.003 0.000 0.331 33 I C 0.830 176.869 176.117 -0.130 0.000 1.322 33 I CA 0.473 61.664 61.300 -0.182 0.000 1.149 33 I CB -0.436 37.356 38.000 -0.348 0.000 1.112 33 I HN 0.461 8.671 8.210 -0.000 0.000 0.403 34 T N -0.367 114.166 114.554 -0.036 0.000 2.924 34 T HA 0.698 5.050 4.350 0.003 0.000 0.291 34 T C -0.263 174.451 174.700 0.024 0.000 1.045 34 T CA -0.783 61.310 62.100 -0.012 0.000 1.015 34 T CB 3.133 72.014 68.868 0.023 0.000 1.103 34 T HN 0.157 8.397 8.240 -0.000 0.000 0.496 35 R N 1.835 122.368 120.500 0.055 0.000 2.549 35 R HA 0.454 4.796 4.340 0.003 0.000 0.291 35 R C -2.018 174.411 176.300 0.216 0.000 1.164 35 R CA -0.767 55.402 56.100 0.115 0.000 0.973 35 R CB 1.339 31.701 30.300 0.103 0.000 1.210 35 R HN 0.663 8.933 8.270 -0.000 0.000 0.422 36 L N 6.062 127.387 121.223 0.170 0.000 2.289 36 L HA 0.539 4.881 4.340 0.003 0.000 0.285 36 L C -1.442 175.603 176.870 0.292 0.000 1.049 36 L CA -0.225 54.700 54.840 0.142 0.000 0.804 36 L CB 0.827 42.879 42.059 -0.013 0.000 1.195 36 L HN 0.570 8.800 8.230 -0.000 0.000 0.428 37 Y N 1.532 121.914 120.300 0.137 0.000 2.655 37 Y HA 0.781 5.333 4.550 0.003 0.000 0.336 37 Y C -0.752 175.280 175.900 0.220 0.000 1.154 37 Y CA -1.213 56.993 58.100 0.177 0.000 1.055 37 Y CB 0.847 39.397 38.460 0.149 0.000 1.295 37 Y HN 0.567 8.847 8.280 -0.000 0.000 0.465 38 S N -0.470 115.378 115.700 0.246 0.000 2.664 38 S HA 0.653 5.125 4.470 0.003 0.000 0.304 38 S C -0.625 174.001 174.600 0.043 0.000 1.099 38 S CA -0.253 57.946 58.200 -0.001 0.000 1.003 38 S CB 1.688 64.843 63.200 -0.075 0.000 1.092 38 S HN 0.896 9.206 8.310 -0.000 0.000 0.525 39 V N 1.772 121.624 119.914 -0.104 0.000 3.432 39 V HA 0.579 4.701 4.120 0.003 0.000 0.298 39 V C 0.662 176.734 176.094 -0.038 0.000 1.464 39 V CA 1.058 63.325 62.300 -0.055 0.000 1.046 39 V CB -0.034 31.627 31.823 -0.270 0.000 0.887 39 V HN 1.161 9.351 8.190 -0.000 0.000 0.441 40 G N 0.247 109.002 108.800 -0.075 0.000 2.351 40 G HA2 0.226 4.188 3.960 0.003 0.000 0.279 40 G HA3 0.226 4.188 3.960 0.003 0.000 0.279 40 G C -1.656 173.177 174.900 -0.112 0.000 1.297 40 G CA -0.790 44.270 45.100 -0.067 0.000 0.886 40 G HN 0.076 8.366 8.290 -0.000 0.000 0.493 41 K N 0.306 120.644 120.400 -0.102 0.000 2.422 41 K HA 0.634 4.956 4.320 0.003 0.000 0.251 41 K C 0.392 176.920 176.600 -0.120 0.000 0.933 41 K CA -0.380 55.830 56.287 -0.128 0.000 0.798 41 K CB 2.226 34.662 32.500 -0.107 0.000 1.238 41 K HN 0.942 9.192 8.250 -0.000 0.000 0.428 42 S N 0.181 115.792 115.700 -0.148 0.000 2.587 42 S HA -0.001 4.471 4.470 0.003 0.000 0.260 42 S C 1.502 176.043 174.600 -0.098 0.000 1.353 42 S CA -0.631 57.495 58.200 -0.122 0.000 0.995 42 S CB 0.576 63.684 63.200 -0.153 0.000 0.912 42 S HN 0.345 8.655 8.310 -0.000 0.000 0.568 43 V N 1.445 121.317 119.914 -0.070 0.000 2.324 43 V HA -0.178 3.944 4.120 0.003 0.000 0.250 43 V C 2.057 178.116 176.094 -0.059 0.000 1.060 43 V CA 2.282 64.552 62.300 -0.050 0.000 1.042 43 V CB -1.061 30.749 31.823 -0.023 0.000 0.650 43 V HN 0.909 9.099 8.190 -0.000 0.000 0.450 44 E N 0.228 120.383 120.200 -0.076 0.000 2.320 44 E HA 0.238 4.590 4.350 0.003 0.000 0.189 44 E C 0.434 176.964 176.600 -0.115 0.000 1.100 44 E CA -0.114 56.237 56.400 -0.082 0.000 1.009 44 E CB -0.087 29.566 29.700 -0.078 0.000 1.145 44 E HN 0.520 8.880 8.360 -0.000 0.000 0.454 45 L N -0.294 120.860 121.223 -0.116 0.000 4.001 45 L HA -0.297 4.045 4.340 0.003 0.000 0.413 45 L C -0.029 176.726 176.870 -0.191 0.000 1.185 45 L CA 0.714 55.480 54.840 -0.123 0.000 0.963 45 L CB -1.854 40.157 42.059 -0.079 0.000 1.976 45 L HN 0.285 8.515 8.230 -0.000 0.000 0.939 46 R N 1.380 121.695 120.500 -0.308 0.000 2.297 46 R HA 0.363 4.704 4.340 0.003 0.000 0.308 46 R C 0.578 176.639 176.300 -0.399 0.000 1.029 46 R CA -0.816 54.940 56.100 -0.573 0.000 0.929 46 R CB 0.978 30.657 30.300 -1.035 0.000 1.046 46 R HN 0.074 8.344 8.270 -0.000 0.000 0.461 47 E N 2.382 122.414 120.200 -0.279 0.000 2.442 47 E HA -0.082 4.270 4.350 0.003 0.000 0.262 47 E C -0.222 176.145 176.600 -0.389 0.000 1.004 47 E CA 0.154 56.305 56.400 -0.415 0.000 0.928 47 E CB 0.634 29.782 29.700 -0.920 0.000 0.937 47 E HN 0.180 8.540 8.360 -0.000 0.000 0.446 48 L N 4.656 125.663 121.223 -0.359 0.000 2.449 48 L HA 0.132 4.474 4.340 0.003 0.000 0.255 48 L C -0.612 176.072 176.870 -0.309 0.000 1.167 48 L CA -0.286 54.400 54.840 -0.256 0.000 1.090 48 L CB -1.014 40.915 42.059 -0.215 0.000 1.385 48 L HN 0.318 8.548 8.230 -0.000 0.000 0.411 49 Y N 0.769 121.005 120.300 -0.106 0.000 2.578 49 Y HA 0.328 4.880 4.550 0.003 0.000 0.339 49 Y C 0.615 176.300 175.900 -0.360 0.000 1.231 49 Y CA -0.106 57.867 58.100 -0.212 0.000 1.461 49 Y CB 0.604 38.983 38.460 -0.135 0.000 1.323 49 Y HN 0.085 8.365 8.280 -0.000 0.000 0.590 50 V N 4.665 124.385 119.914 -0.323 0.000 2.808 50 V HA 0.338 4.460 4.120 0.003 0.000 0.308 50 V C -0.459 175.433 176.094 -0.337 0.000 1.099 50 V CA -1.210 60.809 62.300 -0.468 0.000 0.920 50 V CB 2.212 33.473 31.823 -0.936 0.000 1.014 50 V HN 0.627 8.817 8.190 -0.000 0.000 0.425 51 M N 3.546 123.094 119.600 -0.088 0.000 2.072 51 M HA 0.423 4.905 4.480 0.003 0.000 0.331 51 M C -0.227 176.114 176.300 0.068 0.000 1.004 51 M CA -0.168 55.130 55.300 -0.002 0.000 0.952 51 M CB 1.309 33.908 32.600 -0.002 0.000 1.511 51 M HN 0.851 9.141 8.290 -0.000 0.000 0.422 52 E N 4.362 124.628 120.200 0.110 0.000 2.289 52 E HA 0.407 4.759 4.350 0.003 0.000 0.278 52 E C -1.241 175.318 176.600 -0.068 0.000 1.032 52 E CA -0.181 56.197 56.400 -0.038 0.000 0.854 52 E CB 0.994 30.677 29.700 -0.028 0.000 1.046 52 E HN 0.622 8.982 8.360 -0.000 0.000 0.409 53 I N 3.818 124.322 120.570 -0.111 0.000 2.493 53 I HA 0.198 4.370 4.170 0.003 0.000 0.279 53 I C -0.507 175.519 176.117 -0.152 0.000 1.045 53 I CA -0.343 60.883 61.300 -0.122 0.000 1.106 53 I CB 1.631 39.576 38.000 -0.092 0.000 1.216 53 I HN 0.308 8.518 8.210 -0.000 0.000 0.459 54 S N 3.388 118.982 115.700 -0.178 0.000 2.579 54 S HA 0.275 4.747 4.470 0.003 0.000 0.272 54 S C -0.033 174.446 174.600 -0.202 0.000 1.141 54 S CA -0.698 57.408 58.200 -0.156 0.000 0.843 54 S CB 1.588 64.727 63.200 -0.102 0.000 1.122 54 S HN 0.701 9.011 8.310 -0.000 0.000 0.468 55 D N 1.453 121.759 120.400 -0.155 0.000 2.336 55 D HA 0.076 4.718 4.640 0.003 0.000 0.229 55 D C -0.079 176.204 176.300 -0.028 0.000 1.061 55 D CA 0.156 54.089 54.000 -0.112 0.000 0.875 55 D CB -0.324 40.524 40.800 0.081 0.000 0.904 55 D HN 0.348 8.718 8.370 -0.000 0.000 0.525 56 N N 1.234 119.912 118.700 -0.037 0.000 2.666 56 N HA 0.121 4.863 4.740 0.003 0.000 0.253 56 N C -2.841 172.662 175.510 -0.012 0.000 1.621 56 N CA -0.752 52.295 53.050 -0.005 0.000 0.785 56 N CB 1.852 40.348 38.487 0.015 0.000 1.332 56 N HN 0.080 8.460 8.380 -0.000 0.000 0.514 57 P HA 0.056 4.476 4.420 -0.000 0.000 0.262 57 P C 0.928 178.232 177.300 0.007 0.000 1.182 57 P CA 1.148 64.232 63.100 -0.026 0.000 0.761 57 P CB 0.758 32.444 31.700 -0.023 0.000 0.795 58 G N 3.056 111.862 108.800 0.010 0.000 2.254 58 G HA2 -0.214 3.748 3.960 0.003 0.000 0.225 58 G HA3 -0.214 3.748 3.960 0.003 0.000 0.225 58 G C 0.076 175.039 174.900 0.104 0.000 1.003 58 G CA 0.190 45.319 45.100 0.048 0.000 0.622 58 G HN 0.732 9.022 8.290 -0.000 0.000 0.507 59 I N -1.755 118.873 120.570 0.097 0.000 2.569 59 I HA 0.791 4.963 4.170 0.003 0.000 0.296 59 I C -0.206 176.016 176.117 0.175 0.000 1.028 59 I CA -1.633 59.753 61.300 0.143 0.000 1.082 59 I CB 1.830 39.887 38.000 0.095 0.000 1.264 59 I HN 0.129 8.339 8.210 -0.000 0.000 0.429 60 H N 5.414 124.591 119.070 0.179 0.000 2.761 60 H HA 0.362 4.920 4.556 0.003 0.000 0.284 60 H C -0.765 174.683 175.328 0.201 0.000 1.105 60 H CA -0.485 55.678 56.048 0.192 0.000 1.352 60 H CB 0.704 30.641 29.762 0.291 0.000 1.423 60 H HN 0.724 9.004 8.280 -0.000 0.000 0.464 61 E N 3.649 123.681 120.200 -0.278 0.000 2.277 61 E HA 0.478 4.830 4.350 0.003 0.000 0.274 61 E C -0.402 175.987 176.600 -0.352 0.000 1.022 61 E CA -1.213 55.045 56.400 -0.236 0.000 0.853 61 E CB 1.457 31.134 29.700 -0.039 0.000 1.086 61 E HN 0.700 9.060 8.360 -0.000 0.000 0.397 62 A N 2.081 124.848 122.820 -0.089 0.000 2.545 62 A HA 0.357 4.679 4.320 0.003 0.000 0.253 62 A C 1.336 179.147 177.584 0.378 0.000 1.074 62 A CA 0.711 52.876 52.037 0.214 0.000 0.760 62 A CB -0.929 18.314 19.000 0.405 0.000 1.005 62 A HN 1.117 9.267 8.150 -0.000 0.000 0.506 63 G N 1.396 110.421 108.800 0.374 0.000 2.176 63 G HA2 -0.220 3.742 3.960 0.003 0.000 0.253 63 G HA3 -0.220 3.742 3.960 0.003 0.000 0.253 63 G C 0.148 175.308 174.900 0.433 0.000 0.979 63 G CA 0.439 45.745 45.100 0.344 0.000 0.641 63 G HN 0.971 9.261 8.290 -0.000 0.000 0.530 64 E N 1.681 122.117 120.200 0.392 0.000 2.130 64 E HA 0.446 4.798 4.350 0.003 0.000 0.284 64 E C -2.465 174.147 176.600 0.020 0.000 1.018 64 E CA -2.235 54.262 56.400 0.162 0.000 0.817 64 E CB 1.315 31.062 29.700 0.079 0.000 1.078 64 E HN 0.158 8.518 8.360 -0.000 0.000 0.396 65 P HA 0.023 4.443 4.420 -0.000 0.000 0.271 65 P C -1.049 175.920 177.300 -0.552 0.000 1.216 65 P CA 0.137 62.671 63.100 -0.944 0.000 0.771 65 P CB 0.588 31.823 31.700 -0.776 0.000 0.864 66 E N 2.695 122.504 120.200 -0.651 0.000 2.146 66 E HA 0.318 4.670 4.350 0.003 0.000 0.282 66 E C -1.002 175.563 176.600 -0.059 0.000 0.989 66 E CA -0.407 55.792 56.400 -0.335 0.000 0.799 66 E CB 1.107 30.433 29.700 -0.624 0.000 1.088 66 E HN 0.368 8.728 8.360 -0.000 0.000 0.397 67 F N 3.336 123.292 119.950 0.010 0.000 2.522 67 F HA 0.420 4.949 4.527 0.003 0.000 0.324 67 F C -0.739 175.174 175.800 0.187 0.000 1.077 67 F CA -0.779 57.243 58.000 0.037 0.000 0.944 67 F CB 1.324 40.243 39.000 -0.134 0.000 1.175 67 F HN 0.245 8.545 8.300 -0.000 0.000 0.468 68 K N 3.951 123.840 120.400 -0.852 0.000 2.498 68 K HA 0.446 4.768 4.320 0.003 0.000 0.254 68 K C -2.510 173.704 176.600 -0.644 0.000 0.933 68 K CA -0.792 55.182 56.287 -0.521 0.000 0.806 68 K CB 2.113 34.023 32.500 -0.983 0.000 1.301 68 K HN 0.598 8.848 8.250 -0.000 0.000 0.432 69 Y N 2.025 122.305 120.300 -0.034 0.000 2.376 69 Y HA 0.531 5.082 4.550 0.003 0.000 0.340 69 Y C -0.428 175.510 175.900 0.063 0.000 0.965 69 Y CA -1.072 57.059 58.100 0.051 0.000 1.078 69 Y CB 1.761 40.366 38.460 0.243 0.000 1.193 69 Y HN 0.495 8.775 8.280 -0.000 0.000 0.452 70 I N 2.807 123.500 120.570 0.204 0.000 2.545 70 I HA 0.745 4.917 4.170 0.003 0.000 0.292 70 I C 0.164 176.286 176.117 0.007 0.000 1.040 70 I CA -0.712 60.658 61.300 0.117 0.000 1.068 70 I CB 2.319 40.383 38.000 0.107 0.000 1.251 70 I HN 0.701 8.911 8.210 -0.000 0.000 0.424 71 G N 2.311 111.086 108.800 -0.041 0.000 2.658 71 G HA2 0.330 4.292 3.960 0.003 0.000 0.292 71 G HA3 0.330 4.292 3.960 0.003 0.000 0.292 71 G C -0.276 174.536 174.900 -0.147 0.000 1.320 71 G CA -0.727 44.300 45.100 -0.122 0.000 0.933 71 G HN 0.858 9.148 8.290 -0.000 0.000 0.476 72 N N -0.490 118.095 118.700 -0.190 0.000 2.758 72 N HA -0.196 4.546 4.740 0.003 0.000 0.248 72 N C 1.393 176.822 175.510 -0.135 0.000 1.076 72 N CA 0.607 53.570 53.050 -0.146 0.000 0.696 72 N CB -0.483 37.933 38.487 -0.118 0.000 0.979 72 N HN 0.598 8.978 8.380 -0.000 0.000 0.550 73 M N -0.101 119.346 119.600 -0.254 0.000 2.175 73 M HA -0.111 4.371 4.480 0.003 0.000 0.264 73 M C 0.030 176.239 176.300 -0.151 0.000 1.063 73 M CA 1.723 56.886 55.300 -0.229 0.000 1.119 73 M CB 0.042 32.416 32.600 -0.377 0.000 1.377 73 M HN 0.293 8.583 8.290 -0.000 0.000 0.415 74 H N -0.705 118.340 119.070 -0.042 0.000 2.594 74 H HA 0.233 4.790 4.556 0.003 0.000 0.304 74 H C 1.212 176.555 175.328 0.024 0.000 1.068 74 H CA -0.233 55.834 56.048 0.032 0.000 1.308 74 H CB 1.214 31.026 29.762 0.083 0.000 1.409 74 H HN 0.383 8.663 8.280 -0.000 0.000 0.460 75 G N 3.091 111.995 108.800 0.174 0.000 2.556 75 G HA2 -0.410 3.552 3.960 0.003 0.000 0.220 75 G HA3 -0.410 3.552 3.960 0.003 0.000 0.220 75 G C 1.556 176.529 174.900 0.121 0.000 1.156 75 G CA 1.288 46.477 45.100 0.148 0.000 0.766 75 G HN 0.710 9.000 8.290 -0.000 0.000 0.583 76 N N 1.051 119.810 118.700 0.098 0.000 2.461 76 N HA -0.007 4.735 4.740 0.003 0.000 0.188 76 N C 0.264 175.795 175.510 0.034 0.000 1.134 76 N CA 0.229 53.324 53.050 0.074 0.000 0.878 76 N CB -0.138 38.420 38.487 0.120 0.000 0.972 76 N HN 0.432 8.812 8.380 -0.000 0.000 0.456 77 E N 0.686 120.921 120.200 0.057 0.000 1.936 77 E HA 0.170 4.521 4.350 0.003 0.000 0.267 77 E C 0.273 176.843 176.600 -0.050 0.000 1.076 77 E CA -0.316 56.107 56.400 0.038 0.000 0.870 77 E CB 1.399 31.172 29.700 0.121 0.000 1.093 77 E HN -0.005 8.355 8.360 -0.000 0.000 0.411 78 V N 2.498 122.327 119.914 -0.141 0.000 2.725 78 V HA -0.162 3.959 4.120 0.003 0.000 0.247 78 V C 2.035 178.050 176.094 -0.131 0.000 1.058 78 V CA 0.701 62.899 62.300 -0.172 0.000 1.080 78 V CB 0.071 31.633 31.823 -0.435 0.000 0.713 78 V HN 0.491 8.681 8.190 -0.000 0.000 0.465 79 V N 1.594 121.405 119.914 -0.170 0.000 2.278 79 V HA -0.292 3.830 4.120 0.003 0.000 0.251 79 V C 2.660 178.672 176.094 -0.137 0.000 1.062 79 V CA 2.449 64.608 62.300 -0.235 0.000 1.038 79 V CB -1.725 29.844 31.823 -0.423 0.000 0.646 79 V HN 0.585 8.775 8.190 -0.000 0.000 0.447 80 G N -0.310 108.418 108.800 -0.120 0.000 2.514 80 G HA2 -0.361 3.601 3.960 0.003 0.000 0.217 80 G HA3 -0.361 3.601 3.960 0.003 0.000 0.217 80 G C 1.631 176.456 174.900 -0.126 0.000 1.198 80 G CA 1.225 46.255 45.100 -0.116 0.000 0.780 80 G HN 0.456 8.746 8.290 -0.000 0.000 0.565 81 R N 0.260 120.671 120.500 -0.148 0.000 2.136 81 R HA -0.191 4.150 4.340 0.003 0.000 0.242 81 R C 2.509 178.691 176.300 -0.196 0.000 1.131 81 R CA 2.162 58.149 56.100 -0.188 0.000 0.937 81 R CB -0.309 29.840 30.300 -0.251 0.000 0.863 81 R HN 0.339 8.608 8.270 -0.000 0.000 0.435 82 E N 0.619 120.729 120.200 -0.150 0.000 2.077 82 E HA -0.187 4.165 4.350 0.003 0.000 0.193 82 E C 2.220 178.754 176.600 -0.109 0.000 0.989 82 E CA 1.082 57.398 56.400 -0.140 0.000 0.800 82 E CB -0.329 29.350 29.700 -0.034 0.000 0.746 82 E HN 0.458 8.818 8.360 -0.000 0.000 0.452 83 L N 0.496 121.707 121.223 -0.020 0.000 2.042 83 L HA -0.172 4.170 4.340 0.003 0.000 0.210 83 L C 2.597 179.485 176.870 0.030 0.000 1.076 83 L CA 0.843 55.743 54.840 0.101 0.000 0.749 83 L CB -0.393 41.739 42.059 0.122 0.000 0.893 83 L HN 0.105 8.335 8.230 -0.000 0.000 0.432 84 L N -0.783 120.396 121.223 -0.073 0.000 2.141 84 L HA -0.217 4.125 4.340 0.003 0.000 0.209 84 L C 2.431 179.239 176.870 -0.104 0.000 1.094 84 L CA 0.966 55.760 54.840 -0.076 0.000 0.763 84 L CB -0.313 41.696 42.059 -0.083 0.000 0.908 84 L HN 0.292 8.522 8.230 -0.000 0.000 0.437 85 L N -0.580 120.500 121.223 -0.237 0.000 2.027 85 L HA -0.197 4.145 4.340 0.003 0.000 0.206 85 L C 2.146 178.831 176.870 -0.309 0.000 1.074 85 L CA 1.572 56.174 54.840 -0.396 0.000 0.745 85 L CB -0.722 40.766 42.059 -0.952 0.000 0.898 85 L HN 0.340 8.570 8.230 -0.000 0.000 0.433 86 N N 0.024 118.508 118.700 -0.361 0.000 2.091 86 N HA -0.260 4.481 4.740 0.003 0.000 0.193 86 N C 1.773 177.027 175.510 -0.426 0.000 1.021 86 N CA 1.088 53.812 53.050 -0.545 0.000 0.862 86 N CB -0.159 37.885 38.487 -0.738 0.000 1.018 86 N HN 0.146 8.526 8.380 -0.000 0.000 0.429 87 L N 1.425 122.598 121.223 -0.084 0.000 2.027 87 L HA -0.089 4.253 4.340 0.003 0.000 0.206 87 L C 1.899 178.800 176.870 0.052 0.000 1.074 87 L CA 1.334 56.266 54.840 0.152 0.000 0.745 87 L CB -0.551 41.632 42.059 0.207 0.000 0.898 87 L HN 0.149 8.379 8.230 -0.000 0.000 0.433 88 I N -0.009 120.536 120.570 -0.042 0.000 2.113 88 I HA -0.362 3.810 4.170 0.003 0.000 0.242 88 I C 2.499 178.403 176.117 -0.355 0.000 1.064 88 I CA 1.938 63.151 61.300 -0.145 0.000 1.320 88 I CB -1.230 36.690 38.000 -0.133 0.000 1.028 88 I HN 0.521 8.731 8.210 -0.000 0.000 0.406 89 E N 0.495 120.415 120.200 -0.467 0.000 2.007 89 E HA -0.324 4.028 4.350 0.003 0.000 0.203 89 E C 2.435 178.880 176.600 -0.258 0.000 1.020 89 E CA 1.941 57.972 56.400 -0.614 0.000 0.845 89 E CB -0.518 28.976 29.700 -0.343 0.000 0.779 89 E HN 0.402 8.762 8.360 -0.000 0.000 0.466 90 Y N 1.034 121.200 120.300 -0.223 0.000 2.133 90 Y HA -0.318 4.234 4.550 0.003 0.000 0.279 90 Y C 2.027 177.919 175.900 -0.013 0.000 1.209 90 Y CA 2.140 60.216 58.100 -0.041 0.000 1.152 90 Y CB -0.251 38.313 38.460 0.174 0.000 0.961 90 Y HN 0.117 8.397 8.280 -0.000 0.000 0.512 91 L N -1.692 119.582 121.223 0.084 0.000 2.005 91 L HA -0.279 4.063 4.340 0.003 0.000 0.207 91 L C 2.657 179.439 176.870 -0.146 0.000 1.072 91 L CA 1.387 56.233 54.840 0.011 0.000 0.744 91 L CB -0.969 41.117 42.059 0.045 0.000 0.895 91 L HN 0.319 8.549 8.230 -0.000 0.000 0.433 92 C N 0.042 119.159 119.300 -0.305 0.000 2.413 92 C HA -0.159 4.303 4.460 0.003 0.000 0.276 92 C C 2.814 177.479 174.990 -0.542 0.000 1.248 92 C CA 0.768 59.430 59.018 -0.593 0.000 1.742 92 C CB -0.757 26.429 27.740 -0.923 0.000 2.017 92 C HN 0.416 8.646 8.230 -0.000 0.000 0.481 93 K N 0.520 120.728 120.400 -0.321 0.000 2.097 93 K HA -0.055 4.267 4.320 0.003 0.000 0.205 93 K C 1.458 178.006 176.600 -0.088 0.000 1.050 93 K CA 0.968 57.188 56.287 -0.113 0.000 0.938 93 K CB -0.230 32.240 32.500 -0.051 0.000 0.718 93 K HN 0.578 8.828 8.250 -0.000 0.000 0.442 94 N N 0.258 118.845 118.700 -0.188 0.000 2.353 94 N HA -0.030 4.712 4.740 0.003 0.000 0.185 94 N C -0.075 175.410 175.510 -0.041 0.000 1.098 94 N CA -0.036 52.913 53.050 -0.167 0.000 0.872 94 N CB 0.194 38.460 38.487 -0.368 0.000 0.970 94 N HN 0.007 8.387 8.380 -0.000 0.000 0.467 95 F N 1.806 121.680 119.950 -0.126 0.000 2.571 95 F HA 0.205 4.734 4.527 0.003 0.000 0.384 95 F C 1.502 177.287 175.800 -0.025 0.000 1.058 95 F CA 0.958 58.918 58.000 -0.066 0.000 1.200 95 F CB 0.117 39.081 39.000 -0.060 0.000 1.077 95 F HN 0.276 8.576 8.300 -0.000 0.000 0.558 96 G N 3.553 111.977 108.800 -0.628 0.000 2.490 96 G HA2 -0.360 3.602 3.960 0.003 0.000 0.214 96 G HA3 -0.360 3.602 3.960 0.003 0.000 0.214 96 G C 1.126 175.893 174.900 -0.223 0.000 1.151 96 G CA 0.254 45.074 45.100 -0.467 0.000 0.684 96 G HN 0.659 8.949 8.290 -0.000 0.000 0.518 97 T N 0.491 114.965 114.554 -0.133 0.000 2.770 97 T HA 0.187 4.539 4.350 0.003 0.000 0.263 97 T C 0.870 175.521 174.700 -0.082 0.000 1.039 97 T CA 1.619 63.670 62.100 -0.082 0.000 1.142 97 T CB -0.139 68.699 68.868 -0.050 0.000 0.868 97 T HN 0.586 8.826 8.240 -0.000 0.000 0.435 98 D N 1.588 121.934 120.400 -0.089 0.000 2.198 98 D HA 0.202 4.844 4.640 0.003 0.000 0.245 98 D C -1.413 174.849 176.300 -0.063 0.000 1.079 98 D CA -2.427 51.535 54.000 -0.063 0.000 0.854 98 D CB 1.661 42.423 40.800 -0.063 0.000 1.148 98 D HN -0.043 8.327 8.370 -0.000 0.000 0.456 99 P HA -0.191 4.229 4.420 -0.000 0.000 0.215 99 P C 1.099 178.391 177.300 -0.013 0.000 1.157 99 P CA 1.063 64.139 63.100 -0.040 0.000 0.863 99 P CB 0.303 31.987 31.700 -0.027 0.000 0.787 100 E N 0.021 120.231 120.200 0.016 0.000 2.038 100 E HA -0.137 4.215 4.350 0.003 0.000 0.195 100 E C 2.070 178.712 176.600 0.070 0.000 1.000 100 E CA 1.433 57.859 56.400 0.044 0.000 0.803 100 E CB -0.385 29.358 29.700 0.070 0.000 0.750 100 E HN -0.094 8.266 8.360 -0.000 0.000 0.448 101 V N 0.895 120.862 119.914 0.089 0.000 2.287 101 V HA -0.280 3.842 4.120 0.003 0.000 0.248 101 V C 2.442 178.649 176.094 0.188 0.000 1.053 101 V CA 2.256 64.637 62.300 0.135 0.000 1.027 101 V CB -0.869 31.006 31.823 0.086 0.000 0.646 101 V HN 0.417 8.607 8.190 -0.000 0.000 0.447 102 T N -0.438 114.173 114.554 0.095 0.000 2.684 102 T HA -0.255 4.097 4.350 0.003 0.000 0.267 102 T C 1.714 176.495 174.700 0.135 0.000 1.036 102 T CA 1.953 64.070 62.100 0.028 0.000 1.148 102 T CB -0.416 68.278 68.868 -0.289 0.000 0.863 102 T HN 0.620 8.860 8.240 -0.000 0.000 0.436 103 D N 0.730 121.163 120.400 0.056 0.000 2.097 103 D HA -0.053 4.589 4.640 0.003 0.000 0.195 103 D C 2.077 178.417 176.300 0.067 0.000 0.989 103 D CA 0.849 54.873 54.000 0.040 0.000 0.827 103 D CB -0.370 40.432 40.800 0.003 0.000 0.966 103 D HN 0.249 8.619 8.370 -0.000 0.000 0.456 104 L N -0.214 121.060 121.223 0.084 0.000 2.012 104 L HA -0.167 4.174 4.340 0.003 0.000 0.210 104 L C 2.461 179.381 176.870 0.083 0.000 1.073 104 L CA 0.921 55.808 54.840 0.078 0.000 0.748 104 L CB -0.261 41.839 42.059 0.069 0.000 0.891 104 L HN 0.082 8.312 8.230 -0.000 0.000 0.431 105 V N -0.796 119.194 119.914 0.128 0.000 2.626 105 V HA -0.270 3.852 4.120 0.003 0.000 0.252 105 V C 2.272 178.406 176.094 0.066 0.000 1.067 105 V CA 1.453 63.781 62.300 0.047 0.000 1.081 105 V CB -0.466 31.309 31.823 -0.079 0.000 0.686 105 V HN 0.517 8.707 8.190 -0.000 0.000 0.468 106 Q N 0.393 120.294 119.800 0.169 0.000 2.062 106 Q HA -0.107 4.235 4.340 0.003 0.000 0.196 106 Q C 2.474 178.510 176.000 0.060 0.000 0.967 106 Q CA 1.743 57.625 55.803 0.131 0.000 0.832 106 Q CB -0.200 28.631 28.738 0.155 0.000 0.899 106 Q HN 0.779 9.049 8.270 -0.000 0.000 0.442 107 S N -0.528 115.196 115.700 0.040 0.000 2.489 107 S HA 0.009 4.480 4.470 0.003 0.000 0.228 107 S C 0.784 175.441 174.600 0.096 0.000 0.995 107 S CA 0.270 58.475 58.200 0.010 0.000 0.934 107 S CB 0.113 63.236 63.200 -0.129 0.000 0.771 107 S HN 0.074 8.384 8.310 -0.000 0.000 0.522 108 T N 1.482 116.081 114.554 0.075 0.000 2.907 108 T HA 0.497 4.849 4.350 0.003 0.000 0.292 108 T C -0.752 173.937 174.700 -0.018 0.000 1.043 108 T CA -0.821 61.285 62.100 0.009 0.000 1.003 108 T CB 2.153 70.990 68.868 -0.051 0.000 1.084 108 T HN 0.136 8.376 8.240 -0.000 0.000 0.483 109 R N 2.378 122.864 120.500 -0.024 0.000 2.278 109 R HA 0.454 4.796 4.340 0.003 0.000 0.322 109 R C -0.723 175.600 176.300 0.038 0.000 1.058 109 R CA -0.441 55.641 56.100 -0.029 0.000 0.991 109 R CB -0.142 30.152 30.300 -0.008 0.000 1.140 109 R HN 0.593 8.863 8.270 -0.000 0.000 0.518 110 I N 4.152 124.732 120.570 0.018 0.000 2.395 110 I HA 0.184 4.356 4.170 0.003 0.000 0.289 110 I C 0.269 176.467 176.117 0.135 0.000 1.023 110 I CA -0.286 61.116 61.300 0.171 0.000 1.350 110 I CB 0.912 38.977 38.000 0.108 0.000 1.409 110 I HN 0.409 8.619 8.210 -0.000 0.000 0.507 111 H N 7.269 126.545 119.070 0.344 0.000 2.589 111 H HA 0.531 5.089 4.556 0.003 0.000 0.335 111 H C -0.739 174.813 175.328 0.374 0.000 1.019 111 H CA -0.550 55.726 56.048 0.380 0.000 1.213 111 H CB 2.156 32.272 29.762 0.589 0.000 1.472 111 H HN 0.400 8.680 8.280 -0.000 0.000 0.508 112 I N 4.068 124.860 120.570 0.370 0.000 2.389 112 I HA 0.239 4.411 4.170 0.003 0.000 0.288 112 I C -0.093 176.115 176.117 0.152 0.000 0.999 112 I CA -0.368 61.109 61.300 0.295 0.000 1.129 112 I CB 2.107 40.245 38.000 0.231 0.000 1.288 112 I HN 0.377 8.587 8.210 -0.000 0.000 0.444 113 M N 8.830 128.516 119.600 0.145 0.000 2.023 113 M HA 0.385 4.867 4.480 0.003 0.000 0.325 113 M C -2.181 174.118 176.300 -0.002 0.000 0.963 113 M CA -1.684 53.612 55.300 -0.006 0.000 0.928 113 M CB 1.896 34.441 32.600 -0.091 0.000 1.429 113 M HN 0.188 8.478 8.290 -0.000 0.000 0.404 114 P HA -0.012 4.408 4.420 -0.000 0.000 0.223 114 P C -0.309 176.926 177.300 -0.109 0.000 1.151 114 P CA 0.690 63.736 63.100 -0.089 0.000 0.787 114 P CB 0.315 31.934 31.700 -0.134 0.000 0.788 115 S N -1.467 114.187 115.700 -0.077 0.000 2.706 115 S HA 0.355 4.827 4.470 0.003 0.000 0.270 115 S C 0.240 174.814 174.600 -0.043 0.000 1.163 115 S CA -0.620 57.536 58.200 -0.073 0.000 1.042 115 S CB 0.122 63.274 63.200 -0.080 0.000 1.079 115 S HN -0.115 8.195 8.310 -0.000 0.000 0.474 116 M N 4.015 123.587 119.600 -0.048 0.000 2.447 116 M HA 0.290 4.772 4.480 0.003 0.000 0.264 116 M C 0.301 176.587 176.300 -0.024 0.000 1.095 116 M CA 1.071 56.351 55.300 -0.034 0.000 1.125 116 M CB 0.013 32.606 32.600 -0.012 0.000 1.389 116 M HN 0.556 8.846 8.290 -0.000 0.000 0.459 117 N N 0.672 119.364 118.700 -0.014 0.000 2.844 117 N HA 0.263 5.005 4.740 0.003 0.000 0.268 117 N C -2.259 173.276 175.510 0.042 0.000 1.574 117 N CA -2.054 51.003 53.050 0.012 0.000 0.838 117 N CB 0.781 39.290 38.487 0.036 0.000 1.177 117 N HN 0.078 8.458 8.380 -0.000 0.000 0.495 118 P HA -0.052 4.368 4.420 -0.000 0.000 0.221 118 P C 0.290 177.632 177.300 0.071 0.000 1.150 118 P CA 0.958 64.097 63.100 0.065 0.000 0.800 118 P CB 0.644 32.352 31.700 0.013 0.000 0.787 119 D N 0.397 120.797 120.400 0.000 0.000 2.097 119 D HA -0.098 4.543 4.640 0.003 0.000 0.195 119 D C 2.396 178.739 176.300 0.072 0.000 0.989 119 D CA 1.688 55.693 54.000 0.008 0.000 0.827 119 D CB -1.089 39.699 40.800 -0.019 0.000 0.966 119 D HN 0.193 8.563 8.370 -0.000 0.000 0.456 120 G N 0.001 108.852 108.800 0.085 0.000 2.418 120 G HA2 -0.325 3.637 3.960 0.003 0.000 0.217 120 G HA3 -0.325 3.637 3.960 0.003 0.000 0.217 120 G C 1.599 176.578 174.900 0.132 0.000 1.158 120 G CA 0.766 45.924 45.100 0.097 0.000 0.771 120 G HN 0.275 8.565 8.290 -0.000 0.000 0.545 121 Y N 1.756 122.077 120.300 0.036 0.000 2.081 121 Y HA -0.203 4.349 4.550 0.003 0.000 0.280 121 Y C 2.823 178.787 175.900 0.107 0.000 1.163 121 Y CA 2.302 60.422 58.100 0.034 0.000 1.135 121 Y CB -0.047 38.417 38.460 0.007 0.000 0.970 121 Y HN 0.183 8.463 8.280 -0.000 0.000 0.498 122 E N 0.608 120.956 120.200 0.247 0.000 2.219 122 E HA -0.203 4.149 4.350 0.003 0.000 0.198 122 E C 1.462 178.106 176.600 0.074 0.000 0.998 122 E CA 1.636 58.157 56.400 0.202 0.000 0.818 122 E CB -0.312 29.516 29.700 0.213 0.000 0.741 122 E HN 0.633 8.993 8.360 -0.000 0.000 0.477 123 K N 0.561 120.988 120.400 0.043 0.000 2.437 123 K HA 0.176 4.498 4.320 0.003 0.000 0.198 123 K C 0.414 177.014 176.600 0.002 0.000 1.024 123 K CA -0.087 56.211 56.287 0.018 0.000 1.148 123 K CB 0.620 33.131 32.500 0.019 0.000 0.860 123 K HN -0.131 8.119 8.250 -0.000 0.000 0.515 124 S N 1.413 117.105 115.700 -0.012 0.000 2.646 124 S HA 0.256 4.728 4.470 0.003 0.000 0.276 124 S C -0.173 174.404 174.600 -0.038 0.000 1.222 124 S CA -0.846 57.368 58.200 0.024 0.000 1.014 124 S CB 1.227 64.481 63.200 0.091 0.000 0.991 124 S HN 0.058 8.368 8.310 -0.000 0.000 0.533 125 Q N 1.914 121.636 119.800 -0.131 0.000 2.347 125 Q HA 0.286 4.627 4.340 0.003 0.000 0.262 125 Q C -0.180 175.300 176.000 -0.868 0.000 0.980 125 Q CA -0.306 55.288 55.803 -0.349 0.000 0.867 125 Q CB 1.474 30.096 28.738 -0.194 0.000 1.242 125 Q HN 0.758 9.028 8.270 -0.000 0.000 0.453 126 E N 0.438 119.906 120.200 -1.220 0.000 2.459 126 E HA 0.115 4.467 4.350 0.003 0.000 0.264 126 E C 0.760 176.982 176.600 -0.630 0.000 1.055 126 E CA 1.237 56.731 56.400 -1.510 0.000 0.957 126 E CB 0.254 29.524 29.700 -0.716 0.000 0.952 126 E HN 0.814 9.174 8.360 -0.000 0.000 0.448 127 G N 3.431 112.028 108.800 -0.338 0.000 2.253 127 G HA2 -0.306 3.656 3.960 0.003 0.000 0.251 127 G HA3 -0.306 3.656 3.960 0.003 0.000 0.251 127 G C 0.106 174.976 174.900 -0.050 0.000 0.998 127 G CA 0.255 45.294 45.100 -0.103 0.000 0.621 127 G HN 0.743 9.033 8.290 -0.000 0.000 0.524 128 D N 0.956 121.304 120.400 -0.087 0.000 2.472 128 D HA 0.290 4.932 4.640 0.003 0.000 0.248 128 D C 1.808 178.162 176.300 0.090 0.000 1.174 128 D CA 0.499 54.504 54.000 0.008 0.000 0.883 128 D CB 0.435 41.252 40.800 0.028 0.000 1.149 128 D HN 0.706 9.076 8.370 -0.000 0.000 0.488 129 R N 2.508 123.052 120.500 0.074 0.000 2.103 129 R HA 0.242 4.584 4.340 0.003 0.000 0.212 129 R C 1.478 177.858 176.300 0.133 0.000 1.107 129 R CA 0.300 56.460 56.100 0.100 0.000 1.025 129 R CB 0.103 30.437 30.300 0.058 0.000 0.929 129 R HN 0.336 8.606 8.270 -0.000 0.000 0.456 130 G N 0.518 109.388 108.800 0.117 0.000 3.342 130 G HA2 0.289 4.251 3.960 0.003 0.000 0.252 130 G HA3 0.289 4.251 3.960 0.003 0.000 0.252 130 G C 0.443 175.401 174.900 0.097 0.000 1.011 130 G CA 0.103 45.301 45.100 0.164 0.000 0.869 130 G HN 0.426 8.716 8.290 -0.000 0.000 0.514 131 G N 0.330 109.168 108.800 0.064 0.000 2.593 131 G HA2 0.335 4.297 3.960 0.003 0.000 0.279 131 G HA3 0.335 4.297 3.960 0.003 0.000 0.279 131 G C 1.008 175.919 174.900 0.017 0.000 1.329 131 G CA 1.245 46.364 45.100 0.031 0.000 1.036 131 G HN 0.614 8.904 8.290 -0.000 0.000 0.555 132 T N -4.278 110.276 114.554 -0.000 0.000 3.130 132 T HA 0.193 4.545 4.350 0.003 0.000 0.288 132 T C 0.391 175.087 174.700 -0.006 0.000 0.936 132 T CA -0.115 61.975 62.100 -0.017 0.000 0.897 132 T CB -0.008 68.835 68.868 -0.041 0.000 1.178 132 T HN 0.320 8.560 8.240 -0.000 0.000 0.543 133 V N 2.688 122.602 119.914 0.001 0.000 2.434 133 V HA 0.472 4.594 4.120 0.003 0.000 0.281 133 V C 1.716 177.822 176.094 0.020 0.000 1.005 133 V CA 1.313 63.615 62.300 0.002 0.000 1.089 133 V CB -0.459 31.360 31.823 -0.007 0.000 0.978 133 V HN 0.943 9.133 8.190 -0.000 0.000 0.474 134 G N 4.318 113.131 108.800 0.022 0.000 2.176 134 G HA2 -0.286 3.676 3.960 0.003 0.000 0.232 134 G HA3 -0.286 3.676 3.960 0.003 0.000 0.232 134 G C 1.121 176.061 174.900 0.067 0.000 0.986 134 G CA 0.522 45.648 45.100 0.042 0.000 0.643 134 G HN 0.686 8.976 8.290 -0.000 0.000 0.522 135 R N 0.628 121.160 120.500 0.054 0.000 2.070 135 R HA -0.022 4.320 4.340 0.003 0.000 0.232 135 R C 1.347 177.724 176.300 0.128 0.000 1.138 135 R CA 1.386 57.532 56.100 0.077 0.000 0.936 135 R CB -0.367 29.919 30.300 -0.023 0.000 0.839 135 R HN 0.418 8.688 8.270 -0.000 0.000 0.429 136 N N 1.355 120.102 118.700 0.078 0.000 2.288 136 N HA -0.076 4.666 4.740 0.003 0.000 0.237 136 N C -0.126 175.438 175.510 0.089 0.000 1.311 136 N CA 0.087 53.192 53.050 0.091 0.000 0.909 136 N CB 0.073 38.578 38.487 0.030 0.000 1.167 136 N HN 0.391 8.771 8.380 -0.000 0.000 0.476 137 N N -1.616 117.142 118.700 0.097 0.000 2.418 137 N HA 0.042 4.784 4.740 0.003 0.000 0.283 137 N C 0.759 176.304 175.510 0.057 0.000 1.267 137 N CA -0.234 52.863 53.050 0.078 0.000 0.975 137 N CB 0.109 38.647 38.487 0.085 0.000 1.167 137 N HN 0.315 8.695 8.380 -0.000 0.000 0.581 138 S N -0.780 114.945 115.700 0.041 0.000 2.419 138 S HA -0.085 4.387 4.470 0.003 0.000 0.235 138 S C 0.902 175.523 174.600 0.034 0.000 1.019 138 S CA 0.927 59.143 58.200 0.026 0.000 0.982 138 S CB -0.507 62.698 63.200 0.008 0.000 0.789 138 S HN 0.587 8.897 8.310 -0.000 0.000 0.490 139 N N 1.469 120.216 118.700 0.078 0.000 2.336 139 N HA 0.071 4.813 4.740 0.003 0.000 0.189 139 N C 0.079 175.602 175.510 0.022 0.000 1.113 139 N CA 0.179 53.296 53.050 0.111 0.000 0.858 139 N CB -0.160 38.474 38.487 0.245 0.000 0.970 139 N HN 0.471 8.851 8.380 -0.000 0.000 0.471 140 N N 0.053 118.747 118.700 -0.010 0.000 2.753 140 N HA -0.219 4.523 4.740 0.003 0.000 0.252 140 N C -1.758 173.552 175.510 -0.334 0.000 1.071 140 N CA 0.494 53.460 53.050 -0.140 0.000 0.690 140 N CB -1.698 36.674 38.487 -0.193 0.000 0.906 140 N HN 0.222 8.602 8.380 -0.000 0.000 0.552 141 Y N -0.286 120.025 120.300 0.020 0.000 2.536 141 Y HA 0.367 4.919 4.550 0.002 0.000 0.347 141 Y C 0.234 176.166 175.900 0.054 0.000 1.000 141 Y CA -1.048 57.069 58.100 0.028 0.000 1.051 141 Y CB 1.260 39.729 38.460 0.014 0.000 1.259 141 Y HN 0.073 8.353 8.280 -0.000 0.000 0.468 142 D N 2.977 123.514 120.400 0.228 0.000 2.374 142 D HA 0.119 4.761 4.640 0.003 0.000 0.240 142 D C 0.864 177.300 176.300 0.227 0.000 1.229 142 D CA 0.353 54.483 54.000 0.216 0.000 0.895 142 D CB 0.807 41.717 40.800 0.183 0.000 1.046 142 D HN 0.665 9.035 8.370 -0.000 0.000 0.498 143 L N 3.292 124.637 121.223 0.204 0.000 2.349 143 L HA -0.178 4.163 4.340 0.003 0.000 0.220 143 L C 1.480 178.498 176.870 0.247 0.000 1.130 143 L CA 0.685 55.627 54.840 0.171 0.000 0.791 143 L CB -0.295 41.836 42.059 0.118 0.000 0.918 143 L HN 0.269 8.499 8.230 -0.000 0.000 0.444 144 N N -0.162 118.666 118.700 0.214 0.000 2.279 144 N HA 0.018 4.759 4.740 0.003 0.000 0.226 144 N C 0.972 176.595 175.510 0.188 0.000 1.126 144 N CA 0.133 53.289 53.050 0.177 0.000 0.846 144 N CB 0.304 38.854 38.487 0.105 0.000 1.050 144 N HN 0.054 8.434 8.380 -0.000 0.000 0.502 145 R N -1.130 119.502 120.500 0.221 0.000 2.539 145 R HA 0.221 4.562 4.340 0.003 0.000 0.342 145 R C 0.483 176.906 176.300 0.205 0.000 0.941 145 R CA -0.139 56.072 56.100 0.186 0.000 1.146 145 R CB -0.300 30.091 30.300 0.151 0.000 1.541 145 R HN 0.262 8.532 8.270 -0.000 0.000 0.525 146 N N 0.104 118.934 118.700 0.216 0.000 2.412 146 N HA 0.069 4.811 4.740 0.003 0.000 0.184 146 N C -0.463 175.015 175.510 -0.052 0.000 1.101 146 N CA 0.155 53.238 53.050 0.056 0.000 0.881 146 N CB 0.339 38.789 38.487 -0.061 0.000 0.969 146 N HN -0.112 8.268 8.380 -0.000 0.000 0.459 147 F N 1.284 121.202 119.950 -0.053 0.000 2.370 147 F HA 0.386 4.915 4.527 0.002 0.000 0.324 147 F C -1.890 173.926 175.800 0.027 0.000 1.116 147 F CA -2.435 55.493 58.000 -0.120 0.000 1.123 147 F CB 0.299 39.209 39.000 -0.150 0.000 1.238 147 F HN -0.126 8.174 8.300 -0.000 0.000 0.536 148 P HA 0.062 4.482 4.420 -0.000 0.000 0.271 148 P C -1.133 176.364 177.300 0.329 0.000 1.226 148 P CA 0.059 63.322 63.100 0.272 0.000 0.765 148 P CB 0.463 32.362 31.700 0.331 0.000 0.835 149 D N 1.009 121.533 120.400 0.205 0.000 2.229 149 D HA 0.076 4.718 4.640 0.003 0.000 0.249 149 D C 1.292 177.596 176.300 0.006 0.000 1.027 149 D CA -0.387 53.700 54.000 0.144 0.000 0.923 149 D CB 1.120 42.051 40.800 0.219 0.000 1.174 149 D HN 0.353 8.723 8.370 -0.000 0.000 0.443 150 Q N 1.321 121.006 119.800 -0.192 0.000 2.331 150 Q HA -0.040 4.302 4.340 0.003 0.000 0.203 150 Q C 0.460 176.194 176.000 -0.444 0.000 0.944 150 Q CA 1.091 56.639 55.803 -0.424 0.000 0.892 150 Q CB 0.050 28.321 28.738 -0.778 0.000 0.983 150 Q HN 0.457 8.727 8.270 -0.000 0.000 0.482 151 F N 0.017 119.958 119.950 -0.016 0.000 2.482 151 F HA 0.263 4.791 4.527 0.002 0.000 0.278 151 F C 0.827 176.675 175.800 0.080 0.000 0.969 151 F CA -0.914 57.092 58.000 0.010 0.000 1.223 151 F CB -0.498 38.500 39.000 -0.003 0.000 1.140 151 F HN -0.013 8.287 8.300 -0.000 0.000 0.672 152 F N 2.295 122.362 119.950 0.195 0.000 2.450 152 F HA 0.301 4.830 4.527 0.003 0.000 0.339 152 F C 0.366 176.209 175.800 0.072 0.000 1.146 152 F CA -1.067 56.997 58.000 0.106 0.000 1.267 152 F CB 0.544 39.597 39.000 0.088 0.000 1.178 152 F HN 0.113 8.413 8.300 -0.000 0.000 0.585 153 Q N 4.367 123.740 119.800 -0.712 0.000 2.400 153 Q HA 0.511 4.853 4.340 0.003 0.000 0.255 153 Q C -1.482 174.148 176.000 -0.616 0.000 1.008 153 Q CA -0.778 54.743 55.803 -0.470 0.000 0.841 153 Q CB 1.053 29.590 28.738 -0.334 0.000 1.220 153 Q HN 0.494 8.764 8.270 -0.000 0.000 0.474 154 V N 3.792 123.606 119.914 -0.166 0.000 2.788 154 V HA -0.035 4.087 4.120 0.003 0.000 0.307 154 V C 0.820 176.893 176.094 -0.035 0.000 1.069 154 V CA 0.888 63.207 62.300 0.032 0.000 1.173 154 V CB 0.918 32.812 31.823 0.120 0.000 0.925 154 V HN 1.080 9.270 8.190 -0.000 0.000 0.492 155 T N 0.858 115.443 114.554 0.051 0.000 2.987 155 T HA 0.077 4.428 4.350 0.003 0.000 0.248 155 T C 0.357 175.068 174.700 0.018 0.000 0.997 155 T CA -0.190 61.923 62.100 0.022 0.000 1.013 155 T CB 0.102 69.005 68.868 0.059 0.000 1.077 155 T HN 0.772 9.012 8.240 -0.000 0.000 0.483 156 D N 3.441 123.875 120.400 0.056 0.000 2.488 156 D HA 0.152 4.794 4.640 0.003 0.000 0.238 156 D C -2.414 173.717 176.300 -0.282 0.000 1.138 156 D CA -1.233 52.727 54.000 -0.067 0.000 0.873 156 D CB 0.493 41.333 40.800 0.066 0.000 1.183 156 D HN 0.177 8.547 8.370 -0.000 0.000 0.458 157 P HA 0.124 4.544 4.420 -0.000 0.000 0.269 157 P C -2.498 174.569 177.300 -0.389 0.000 1.209 157 P CA -0.903 61.982 63.100 -0.358 0.000 0.776 157 P CB 0.011 31.499 31.700 -0.353 0.000 0.876 158 P HA 0.045 4.465 4.420 -0.000 0.000 0.267 158 P C -0.400 176.746 177.300 -0.257 0.000 1.209 158 P CA 0.358 63.296 63.100 -0.270 0.000 0.763 158 P CB 0.242 31.808 31.700 -0.223 0.000 0.816 159 Q N 5.856 125.501 119.800 -0.258 0.000 2.260 159 Q HA 0.178 4.519 4.340 0.003 0.000 0.242 159 Q C -1.373 174.529 176.000 -0.163 0.000 0.932 159 Q CA -2.125 53.568 55.803 -0.183 0.000 0.891 159 Q CB 0.015 28.677 28.738 -0.126 0.000 1.222 159 Q HN 0.323 8.593 8.270 -0.000 0.000 0.453 160 P HA -0.175 4.245 4.420 -0.000 0.000 0.216 160 P C 0.280 177.518 177.300 -0.103 0.000 1.150 160 P CA 1.395 64.434 63.100 -0.101 0.000 0.837 160 P CB 0.523 32.176 31.700 -0.077 0.000 0.786 161 E N -0.466 119.677 120.200 -0.094 0.000 2.106 161 E HA -0.093 4.259 4.350 0.003 0.000 0.192 161 E C 2.137 178.678 176.600 -0.098 0.000 0.984 161 E CA 1.654 58.008 56.400 -0.077 0.000 0.806 161 E CB -1.074 28.598 29.700 -0.047 0.000 0.750 161 E HN 0.280 8.640 8.360 -0.000 0.000 0.458 162 T N 1.148 115.589 114.554 -0.190 0.000 2.639 162 T HA -0.120 4.232 4.350 0.003 0.000 0.261 162 T C 1.949 176.420 174.700 -0.380 0.000 1.053 162 T CA 1.064 62.919 62.100 -0.408 0.000 1.158 162 T CB -0.477 68.013 68.868 -0.631 0.000 0.863 162 T HN 0.042 8.282 8.240 -0.000 0.000 0.413 163 L N 1.176 122.218 121.223 -0.301 0.000 2.021 163 L HA -0.213 4.129 4.340 0.003 0.000 0.215 163 L C 3.121 179.931 176.870 -0.100 0.000 1.074 163 L CA 1.521 56.235 54.840 -0.210 0.000 0.760 163 L CB -0.955 41.014 42.059 -0.150 0.000 0.889 163 L HN 0.276 8.506 8.230 -0.000 0.000 0.433 164 A N -0.146 122.634 122.820 -0.066 0.000 1.873 164 A HA -0.201 4.121 4.320 0.003 0.000 0.218 164 A C 2.335 179.976 177.584 0.095 0.000 1.193 164 A CA 2.395 54.432 52.037 -0.000 0.000 0.629 164 A CB -1.040 17.939 19.000 -0.035 0.000 0.826 164 A HN 0.221 8.371 8.150 -0.000 0.000 0.447 165 V N -0.175 119.801 119.914 0.103 0.000 2.427 165 V HA -0.298 3.824 4.120 0.003 0.000 0.248 165 V C 2.630 178.883 176.094 0.265 0.000 1.051 165 V CA 2.078 64.557 62.300 0.300 0.000 1.048 165 V CB -0.755 31.248 31.823 0.299 0.000 0.666 165 V HN 0.552 8.742 8.190 -0.000 0.000 0.456 166 M N -0.374 119.234 119.600 0.014 0.000 2.065 166 M HA -0.203 4.279 4.480 0.003 0.000 0.259 166 M C 2.576 178.984 176.300 0.180 0.000 1.069 166 M CA 2.198 57.439 55.300 -0.098 0.000 1.110 166 M CB -0.654 31.695 32.600 -0.418 0.000 1.328 166 M HN 0.391 8.681 8.290 -0.000 0.000 0.405 167 S N -0.252 115.540 115.700 0.152 0.000 2.359 167 S HA -0.235 4.236 4.470 0.003 0.000 0.223 167 S C 1.475 176.255 174.600 0.301 0.000 1.039 167 S CA 1.792 60.109 58.200 0.194 0.000 1.042 167 S CB -0.512 62.774 63.200 0.143 0.000 0.915 167 S HN 0.623 8.933 8.310 -0.000 0.000 0.439 168 W N 2.256 123.649 121.300 0.154 0.000 2.321 168 W HA -0.086 4.575 4.660 0.003 0.000 0.306 168 W C 1.676 178.400 176.519 0.341 0.000 1.217 168 W CA 1.271 58.766 57.345 0.248 0.000 1.257 168 W CB -0.717 28.890 29.460 0.245 0.000 1.145 168 W HN 0.307 8.487 8.180 -0.000 0.000 0.509 169 L N 0.677 122.051 121.223 0.252 0.000 2.362 169 L HA -0.170 4.172 4.340 0.003 0.000 0.219 169 L C 2.328 179.323 176.870 0.209 0.000 1.134 169 L CA 1.095 56.029 54.840 0.157 0.000 0.807 169 L CB -0.859 41.379 42.059 0.298 0.000 0.927 169 L HN -0.072 8.158 8.230 -0.000 0.000 0.447 170 K N -0.527 119.998 120.400 0.209 0.000 2.211 170 K HA 0.043 4.365 4.320 0.003 0.000 0.201 170 K C 2.047 178.657 176.600 0.016 0.000 1.052 170 K CA 0.852 57.213 56.287 0.124 0.000 0.973 170 K CB -0.232 32.363 32.500 0.158 0.000 0.766 170 K HN 0.189 8.439 8.250 -0.000 0.000 0.466 171 T N 0.716 115.275 114.554 0.009 0.000 2.833 171 T HA -0.107 4.245 4.350 0.003 0.000 0.269 171 T C 0.306 174.675 174.700 -0.551 0.000 1.054 171 T CA 1.407 63.382 62.100 -0.208 0.000 1.135 171 T CB -0.135 68.635 68.868 -0.163 0.000 0.869 171 T HN 0.036 8.276 8.240 -0.000 0.000 0.466 172 Y N -0.651 119.451 120.300 -0.329 0.000 2.570 172 Y HA 0.411 4.963 4.550 0.003 0.000 0.345 172 Y C -2.445 172.899 175.900 -0.928 0.000 1.014 172 Y CA -2.983 54.650 58.100 -0.779 0.000 1.063 172 Y CB 1.263 38.990 38.460 -1.223 0.000 1.272 172 Y HN -0.209 8.071 8.280 -0.000 0.000 0.477 173 P HA 0.076 4.496 4.420 -0.000 0.000 0.237 173 P C -0.873 176.042 177.300 -0.641 0.000 1.723 173 P CA 0.018 62.657 63.100 -0.768 0.000 0.882 173 P CB -0.803 30.326 31.700 -0.951 0.000 1.810 174 F N -0.177 119.539 119.950 -0.390 0.000 2.612 174 F HA -0.086 4.442 4.527 0.003 0.000 0.389 174 F C 1.915 177.521 175.800 -0.323 0.000 1.055 174 F CA 0.600 58.369 58.000 -0.386 0.000 1.232 174 F CB 0.140 38.903 39.000 -0.394 0.000 1.044 174 F HN -0.062 8.238 8.300 -0.000 0.000 0.560 175 V N 3.170 122.979 119.914 -0.174 0.000 2.521 175 V HA 0.104 4.226 4.120 0.003 0.000 0.239 175 V C 0.007 176.016 176.094 -0.143 0.000 1.053 175 V CA 0.477 62.649 62.300 -0.214 0.000 1.073 175 V CB 0.093 31.681 31.823 -0.392 0.000 0.746 175 V HN 0.504 8.694 8.190 -0.000 0.000 0.476 176 L N -0.467 120.666 121.223 -0.149 0.000 2.341 176 L HA 0.801 5.143 4.340 0.003 0.000 0.267 176 L C -0.570 176.049 176.870 -0.419 0.000 1.009 176 L CA 0.130 54.887 54.840 -0.137 0.000 0.819 176 L CB 2.013 44.022 42.059 -0.084 0.000 1.323 176 L HN 0.186 8.416 8.230 -0.000 0.000 0.425 177 S N 2.550 118.085 115.700 -0.274 0.000 2.588 177 S HA 0.965 5.437 4.470 0.003 0.000 0.269 177 S C -1.942 172.613 174.600 -0.074 0.000 1.157 177 S CA 0.076 57.992 58.200 -0.473 0.000 0.824 177 S CB 1.467 64.413 63.200 -0.422 0.000 1.126 177 S HN 1.450 9.760 8.310 -0.000 0.000 0.464 178 A N 2.516 125.272 122.820 -0.106 0.000 2.491 178 A HA 0.663 4.985 4.320 0.003 0.000 0.293 178 A C -1.159 176.450 177.584 0.041 0.000 1.047 178 A CA -0.729 51.300 52.037 -0.013 0.000 0.735 178 A CB 0.964 19.893 19.000 -0.118 0.000 1.281 178 A HN 1.166 9.316 8.150 -0.000 0.000 0.398 179 N N 1.940 120.630 118.700 -0.017 0.000 2.399 179 N HA 0.665 5.407 4.740 0.003 0.000 0.295 179 N C -0.913 174.589 175.510 -0.014 0.000 1.048 179 N CA -0.573 52.469 53.050 -0.013 0.000 0.886 179 N CB 1.033 39.502 38.487 -0.030 0.000 1.185 179 N HN 0.505 8.885 8.380 -0.000 0.000 0.487 180 L N 1.533 122.699 121.223 -0.096 0.000 2.343 180 L HA 0.512 4.853 4.340 0.003 0.000 0.275 180 L C 0.423 177.134 176.870 -0.265 0.000 1.056 180 L CA -0.821 53.951 54.840 -0.113 0.000 0.804 180 L CB 0.886 42.863 42.059 -0.136 0.000 1.203 180 L HN 0.574 8.804 8.230 -0.000 0.000 0.440 181 H N 0.281 119.332 119.070 -0.032 0.000 2.959 181 H HA 0.683 5.241 4.556 0.003 0.000 0.296 181 H C -0.710 174.655 175.328 0.062 0.000 1.421 181 H CA -0.680 55.394 56.048 0.043 0.000 1.206 181 H CB 2.468 32.287 29.762 0.095 0.000 1.891 181 H HN 0.704 8.984 8.280 -0.000 0.000 0.573 182 G N -1.931 107.036 108.800 0.278 0.000 2.733 182 G HA2 0.458 4.420 3.960 0.003 0.000 0.297 182 G HA3 0.458 4.420 3.960 0.003 0.000 0.297 182 G C 0.125 175.173 174.900 0.247 0.000 1.422 182 G CA -0.077 45.145 45.100 0.203 0.000 0.942 182 G HN 0.860 9.150 8.290 -0.000 0.000 0.510 183 G N -0.985 107.971 108.800 0.260 0.000 2.425 183 G HA2 0.294 4.255 3.960 0.003 0.000 0.177 183 G HA3 0.294 4.255 3.960 0.003 0.000 0.177 183 G C 0.225 175.339 174.900 0.358 0.000 0.999 183 G CA 0.959 46.236 45.100 0.295 0.000 0.723 183 G HN 1.844 10.134 8.290 -0.000 0.000 0.491 184 S N -1.593 114.300 115.700 0.323 0.000 2.655 184 S HA 0.695 5.167 4.470 0.003 0.000 0.266 184 S C -2.380 172.338 174.600 0.197 0.000 1.149 184 S CA -0.225 58.154 58.200 0.298 0.000 0.818 184 S CB 1.291 64.668 63.200 0.297 0.000 1.130 184 S HN 1.234 9.544 8.310 -0.000 0.000 0.476 185 L N 2.808 124.119 121.223 0.146 0.000 2.454 185 L HA 0.902 5.244 4.340 0.003 0.000 0.258 185 L C -1.109 175.764 176.870 0.005 0.000 1.025 185 L CA -0.131 54.774 54.840 0.107 0.000 0.901 185 L CB 0.740 42.892 42.059 0.154 0.000 1.210 185 L HN 0.570 8.800 8.230 -0.000 0.000 0.457 186 V N 3.551 123.382 119.914 -0.138 0.000 3.216 186 V HA 0.465 4.587 4.120 0.003 0.000 0.273 186 V C -1.890 174.030 176.094 -0.290 0.000 1.664 186 V CA -0.460 61.648 62.300 -0.319 0.000 1.021 186 V CB 2.604 33.834 31.823 -0.987 0.000 1.250 186 V HN 0.345 8.535 8.190 -0.000 0.000 0.463 187 V N 4.870 124.648 119.914 -0.227 0.000 2.347 187 V HA 0.620 4.742 4.120 0.003 0.000 0.280 187 V C -0.166 175.819 176.094 -0.181 0.000 1.021 187 V CA 0.213 62.402 62.300 -0.185 0.000 0.847 187 V CB 1.100 32.852 31.823 -0.118 0.000 0.990 187 V HN 1.060 9.250 8.190 -0.000 0.000 0.444 188 N N 5.642 124.209 118.700 -0.222 0.000 2.455 188 N HA 0.567 5.309 4.740 0.003 0.000 0.280 188 N C -0.908 174.477 175.510 -0.208 0.000 1.055 188 N CA -0.619 52.268 53.050 -0.271 0.000 0.961 188 N CB 0.993 39.353 38.487 -0.213 0.000 1.121 188 N HN 0.828 9.208 8.380 -0.000 0.000 0.476 189 Y N 0.931 121.044 120.300 -0.311 0.000 2.633 189 Y HA 0.730 5.282 4.550 0.003 0.000 0.339 189 Y C -2.948 172.589 175.900 -0.604 0.000 1.045 189 Y CA -3.238 54.583 58.100 -0.464 0.000 1.098 189 Y CB 0.147 38.370 38.460 -0.395 0.000 1.296 189 Y HN 0.414 8.694 8.280 -0.000 0.000 0.494 190 P HA 0.053 4.473 4.420 -0.000 0.000 0.267 190 P C -1.028 175.827 177.300 -0.741 0.000 1.200 190 P CA 0.428 63.031 63.100 -0.829 0.000 0.772 190 P CB 0.302 31.221 31.700 -1.300 0.000 0.855 191 F N 0.943 120.649 119.950 -0.407 0.000 2.378 191 F HA 0.168 4.698 4.527 0.005 0.000 0.325 191 F C 1.732 177.341 175.800 -0.318 0.000 1.097 191 F CA 0.079 57.889 58.000 -0.316 0.000 1.079 191 F CB 0.324 39.260 39.000 -0.107 0.000 1.240 191 F HN 0.300 8.600 8.300 -0.000 0.000 0.519 192 D N -0.310 120.087 120.400 -0.004 0.000 2.333 192 D HA 0.008 4.650 4.640 0.003 0.000 0.208 192 D C 0.012 176.262 176.300 -0.083 0.000 0.984 192 D CA 0.914 54.836 54.000 -0.131 0.000 0.873 192 D CB 0.047 40.762 40.800 -0.142 0.000 0.935 192 D HN 0.595 8.965 8.370 -0.000 0.000 0.521 193 D N -0.561 119.864 120.400 0.041 0.000 2.752 193 D HA 0.339 4.981 4.640 0.003 0.000 0.313 193 D C -1.104 175.231 176.300 0.059 0.000 1.225 193 D CA -0.660 53.366 54.000 0.043 0.000 0.976 193 D CB 1.020 41.874 40.800 0.090 0.000 1.443 193 D HN -0.041 8.329 8.370 -0.000 0.000 0.515 194 D N -2.852 117.440 120.400 -0.179 0.000 2.599 194 D HA 0.185 4.827 4.640 0.003 0.000 0.252 194 D C 0.618 176.334 176.300 -0.974 0.000 1.232 194 D CA -0.803 52.779 54.000 -0.695 0.000 0.819 194 D CB 1.580 42.175 40.800 -0.342 0.000 1.401 194 D HN 0.378 8.748 8.370 -0.000 0.000 0.429 195 E N -0.617 118.743 120.200 -1.399 0.000 2.187 195 E HA -0.334 4.018 4.350 0.003 0.000 0.199 195 E C 0.985 177.405 176.600 -0.300 0.000 1.004 195 E CA 1.661 57.616 56.400 -0.743 0.000 0.813 195 E CB 0.141 29.555 29.700 -0.477 0.000 0.736 195 E HN 0.464 8.824 8.360 -0.000 0.000 0.468 196 Q N -1.134 118.511 119.800 -0.259 0.000 2.424 196 Q HA 0.155 4.496 4.340 0.003 0.000 0.204 196 Q C 1.002 176.943 176.000 -0.099 0.000 0.933 196 Q CA 0.708 56.433 55.803 -0.130 0.000 0.929 196 Q CB 0.720 29.397 28.738 -0.102 0.000 1.037 196 Q HN 0.393 8.663 8.270 -0.000 0.000 0.511 197 G N 1.381 110.104 108.800 -0.128 0.000 2.272 197 G HA2 -0.252 3.710 3.960 0.003 0.000 0.280 197 G HA3 -0.252 3.710 3.960 0.003 0.000 0.280 197 G C 0.017 174.870 174.900 -0.078 0.000 1.067 197 G CA 0.687 45.731 45.100 -0.092 0.000 0.902 197 G HN 0.438 8.728 8.290 -0.000 0.000 0.500 198 I N -3.888 116.638 120.570 -0.073 0.000 3.145 198 I HA 0.882 5.054 4.170 0.003 0.000 0.313 198 I C 0.440 176.538 176.117 -0.031 0.000 1.122 198 I CA -1.479 59.794 61.300 -0.046 0.000 0.987 198 I CB 2.071 40.049 38.000 -0.036 0.000 1.236 198 I HN 0.348 8.558 8.210 -0.000 0.000 0.453 199 A N 4.341 127.160 122.820 -0.002 0.000 2.805 199 A HA 0.660 4.981 4.320 0.003 0.000 0.301 199 A C -0.111 177.495 177.584 0.037 0.000 1.557 199 A CA -0.273 51.780 52.037 0.026 0.000 1.254 199 A CB -1.059 17.981 19.000 0.067 0.000 1.114 199 A HN 0.668 8.818 8.150 -0.000 0.000 0.553 200 I N -2.419 118.164 120.570 0.022 0.000 2.994 200 I HA 0.491 4.663 4.170 0.003 0.000 0.306 200 I C -0.642 175.516 176.117 0.067 0.000 1.195 200 I CA -1.361 59.972 61.300 0.057 0.000 1.001 200 I CB 1.545 39.569 38.000 0.039 0.000 1.244 200 I HN 0.321 8.531 8.210 -0.000 0.000 0.437 201 Y N 2.666 122.971 120.300 0.009 0.000 2.650 201 Y HA 0.194 4.746 4.550 0.003 0.000 0.331 201 Y C 0.568 176.482 175.900 0.023 0.000 1.165 201 Y CA 0.796 58.900 58.100 0.007 0.000 1.473 201 Y CB 0.717 39.192 38.460 0.025 0.000 1.224 201 Y HN 0.649 8.929 8.280 -0.000 0.000 0.533 202 S N 7.483 123.073 115.700 -0.184 0.000 2.516 202 S HA 0.231 4.703 4.470 0.003 0.000 0.268 202 S C -0.618 174.021 174.600 0.065 0.000 1.251 202 S CA -0.989 57.238 58.200 0.044 0.000 1.153 202 S CB -0.207 63.040 63.200 0.078 0.000 1.009 202 S HN 0.710 9.020 8.310 -0.000 0.000 0.479 203 K N 3.283 123.841 120.400 0.263 0.000 2.368 203 K HA 0.263 4.584 4.320 0.003 0.000 0.282 203 K C 0.179 176.853 176.600 0.123 0.000 1.035 203 K CA -0.231 56.206 56.287 0.251 0.000 0.973 203 K CB 0.420 33.166 32.500 0.409 0.000 0.957 203 K HN 0.652 8.902 8.250 -0.000 0.000 0.474 204 S N 3.678 119.233 115.700 -0.242 0.000 2.646 204 S HA 0.278 4.750 4.470 0.003 0.000 0.276 204 S C -2.019 172.529 174.600 -0.086 0.000 1.222 204 S CA -1.403 56.455 58.200 -0.571 0.000 1.014 204 S CB 1.477 63.998 63.200 -1.132 0.000 0.991 204 S HN 0.494 8.804 8.310 -0.000 0.000 0.533 205 P HA -0.055 4.365 4.420 -0.000 0.000 0.218 205 P C 0.291 177.662 177.300 0.118 0.000 1.148 205 P CA 1.114 64.303 63.100 0.149 0.000 0.822 205 P CB 0.026 31.872 31.700 0.244 0.000 0.784 206 D N -1.363 119.069 120.400 0.054 0.000 2.395 206 D HA -0.022 4.620 4.640 0.003 0.000 0.226 206 D C 1.014 177.329 176.300 0.024 0.000 1.146 206 D CA 0.177 54.177 54.000 -0.001 0.000 0.830 206 D CB -0.186 40.499 40.800 -0.192 0.000 0.958 206 D HN 0.130 8.500 8.370 -0.000 0.000 0.501 207 D N 1.458 121.918 120.400 0.100 0.000 2.154 207 D HA -0.246 4.396 4.640 0.003 0.000 0.190 207 D C 2.056 178.405 176.300 0.082 0.000 1.003 207 D CA 1.931 56.025 54.000 0.156 0.000 0.849 207 D CB 0.247 41.161 40.800 0.192 0.000 0.942 207 D HN 0.164 8.534 8.370 -0.000 0.000 0.446 208 A N -0.286 122.572 122.820 0.064 0.000 1.865 208 A HA -0.178 4.144 4.320 0.003 0.000 0.217 208 A C 2.579 180.161 177.584 -0.003 0.000 1.191 208 A CA 2.272 54.332 52.037 0.038 0.000 0.623 208 A CB -1.029 18.014 19.000 0.072 0.000 0.826 208 A HN 0.227 8.377 8.150 -0.000 0.000 0.444 209 V N -1.181 118.718 119.914 -0.025 0.000 2.287 209 V HA -0.268 3.854 4.120 0.003 0.000 0.248 209 V C 2.335 178.369 176.094 -0.099 0.000 1.053 209 V CA 2.157 64.416 62.300 -0.068 0.000 1.027 209 V CB -1.226 30.541 31.823 -0.092 0.000 0.646 209 V HN 0.483 8.673 8.190 -0.000 0.000 0.447 210 F N 0.683 120.577 119.950 -0.093 0.000 2.095 210 F HA -0.221 4.308 4.527 0.003 0.000 0.298 210 F C 2.704 178.253 175.800 -0.418 0.000 1.104 210 F CA 1.780 59.644 58.000 -0.227 0.000 1.232 210 F CB -0.919 37.876 39.000 -0.342 0.000 0.987 210 F HN 0.168 8.468 8.300 -0.000 0.000 0.475 211 Q N -0.718 118.883 119.800 -0.332 0.000 2.096 211 Q HA -0.278 4.064 4.340 0.003 0.000 0.204 211 Q C 2.221 178.162 176.000 -0.098 0.000 0.982 211 Q CA 1.603 57.183 55.803 -0.371 0.000 0.850 211 Q CB -0.328 28.285 28.738 -0.208 0.000 0.901 211 Q HN 0.318 8.588 8.270 -0.000 0.000 0.422 212 Q N 0.635 120.415 119.800 -0.032 0.000 2.084 212 Q HA -0.087 4.255 4.340 0.003 0.000 0.202 212 Q C 1.942 177.986 176.000 0.074 0.000 0.978 212 Q CA 1.324 57.141 55.803 0.024 0.000 0.844 212 Q CB -0.234 28.516 28.738 0.020 0.000 0.898 212 Q HN 0.364 8.634 8.270 -0.000 0.000 0.426 213 L N -0.680 120.600 121.223 0.096 0.000 1.994 213 L HA -0.195 4.147 4.340 0.003 0.000 0.208 213 L C 2.306 179.382 176.870 0.345 0.000 1.071 213 L CA 1.244 56.211 54.840 0.212 0.000 0.745 213 L CB -0.800 41.415 42.059 0.260 0.000 0.892 213 L HN 0.224 8.454 8.230 -0.000 0.000 0.431 214 A N -0.021 122.944 122.820 0.242 0.000 1.908 214 A HA -0.248 4.074 4.320 0.003 0.000 0.218 214 A C 2.222 179.949 177.584 0.239 0.000 1.181 214 A CA 1.921 54.092 52.037 0.222 0.000 0.627 214 A CB -0.761 18.327 19.000 0.147 0.000 0.818 214 A HN 0.354 8.504 8.150 -0.000 0.000 0.445 215 L N 0.847 122.181 121.223 0.186 0.000 2.083 215 L HA -0.144 4.198 4.340 0.003 0.000 0.209 215 L C 2.735 179.729 176.870 0.207 0.000 1.083 215 L CA 2.676 57.636 54.840 0.200 0.000 0.752 215 L CB -0.671 41.474 42.059 0.144 0.000 0.899 215 L HN 0.528 8.758 8.230 -0.000 0.000 0.433 216 S N -1.519 114.306 115.700 0.209 0.000 2.392 216 S HA -0.337 4.135 4.470 0.003 0.000 0.232 216 S C 2.086 176.826 174.600 0.232 0.000 1.041 216 S CA 1.770 60.083 58.200 0.189 0.000 1.026 216 S CB -1.170 62.149 63.200 0.199 0.000 0.845 216 S HN 0.632 8.942 8.310 -0.000 0.000 0.465 217 Y N 2.849 123.285 120.300 0.226 0.000 2.201 217 Y HA 0.029 4.581 4.550 0.003 0.000 0.292 217 Y C 2.889 178.847 175.900 0.097 0.000 1.119 217 Y CA 1.513 59.713 58.100 0.166 0.000 1.127 217 Y CB -0.664 37.858 38.460 0.103 0.000 1.019 217 Y HN 0.461 8.741 8.280 -0.000 0.000 0.514 218 S N -0.039 115.897 115.700 0.394 0.000 2.399 218 S HA -0.237 4.235 4.470 0.003 0.000 0.231 218 S C 2.069 176.818 174.600 0.249 0.000 1.022 218 S CA 1.455 59.851 58.200 0.326 0.000 0.983 218 S CB -0.577 62.811 63.200 0.313 0.000 0.803 218 S HN 0.472 8.782 8.310 -0.000 0.000 0.480 219 K N 0.764 121.253 120.400 0.148 0.000 2.152 219 K HA -0.088 4.234 4.320 0.003 0.000 0.206 219 K C 1.681 178.134 176.600 -0.244 0.000 1.048 219 K CA 1.447 57.627 56.287 -0.178 0.000 0.933 219 K CB -0.041 32.349 32.500 -0.182 0.000 0.721 219 K HN 0.402 8.652 8.250 -0.000 0.000 0.447 220 E N 0.254 120.361 120.200 -0.154 0.000 2.385 220 E HA -0.063 4.289 4.350 0.003 0.000 0.194 220 E C 0.310 176.801 176.600 -0.181 0.000 1.013 220 E CA 0.231 56.512 56.400 -0.198 0.000 0.866 220 E CB -0.097 29.455 29.700 -0.248 0.000 0.832 220 E HN 0.189 8.549 8.360 -0.000 0.000 0.500 221 N N 1.937 120.569 118.700 -0.114 0.000 2.500 221 N HA 0.003 4.744 4.740 0.003 0.000 0.236 221 N C 0.816 176.348 175.510 0.036 0.000 1.022 221 N CA 0.017 53.036 53.050 -0.052 0.000 0.935 221 N CB 1.053 39.559 38.487 0.031 0.000 1.147 221 N HN -0.080 8.300 8.380 -0.000 0.000 0.512 222 K N 3.580 123.983 120.400 0.004 0.000 2.015 222 K HA -0.243 4.079 4.320 0.003 0.000 0.220 222 K C 1.489 178.161 176.600 0.119 0.000 1.055 222 K CA 1.695 58.016 56.287 0.055 0.000 0.951 222 K CB 0.012 32.519 32.500 0.012 0.000 0.725 222 K HN 0.487 8.737 8.250 -0.000 0.000 0.449 223 K N 0.340 120.785 120.400 0.075 0.000 2.280 223 K HA -0.161 4.161 4.320 0.003 0.000 0.202 223 K C 2.184 178.853 176.600 0.115 0.000 1.047 223 K CA 1.442 57.778 56.287 0.083 0.000 0.942 223 K CB -0.057 32.469 32.500 0.044 0.000 0.739 223 K HN 0.310 8.560 8.250 -0.000 0.000 0.457 224 M N -0.444 119.239 119.600 0.138 0.000 2.160 224 M HA -0.159 4.323 4.480 0.003 0.000 0.264 224 M C 1.817 178.223 176.300 0.177 0.000 1.073 224 M CA 1.380 56.772 55.300 0.154 0.000 1.142 224 M CB -0.208 32.495 32.600 0.172 0.000 1.358 224 M HN 0.183 8.473 8.290 -0.000 0.000 0.422 225 Y N 1.397 121.748 120.300 0.085 0.000 2.298 225 Y HA -0.298 4.254 4.550 0.003 0.000 0.287 225 Y C 2.155 178.121 175.900 0.110 0.000 1.164 225 Y CA 1.872 60.035 58.100 0.106 0.000 1.229 225 Y CB -0.375 38.139 38.460 0.092 0.000 0.977 225 Y HN 0.357 8.637 8.280 -0.000 0.000 0.538 226 Q N -0.090 119.784 119.800 0.123 0.000 2.291 226 Q HA 0.040 4.382 4.340 0.003 0.000 0.206 226 Q C 2.081 178.093 176.000 0.020 0.000 0.976 226 Q CA 1.342 57.179 55.803 0.058 0.000 0.875 226 Q CB -0.595 28.202 28.738 0.099 0.000 0.927 226 Q HN 0.657 8.927 8.270 -0.000 0.000 0.450 227 G N -1.628 107.176 108.800 0.007 0.000 2.241 227 G HA2 -0.242 3.720 3.960 0.003 0.000 0.244 227 G HA3 -0.242 3.720 3.960 0.003 0.000 0.244 227 G C 0.332 175.283 174.900 0.085 0.000 0.998 227 G CA 0.364 45.447 45.100 -0.029 0.000 0.621 227 G HN 0.264 8.554 8.290 -0.000 0.000 0.519 228 S N 2.047 117.824 115.700 0.127 0.000 2.434 228 S HA 0.525 4.996 4.470 0.003 0.000 0.318 228 S C -0.768 173.890 174.600 0.096 0.000 1.062 228 S CA -0.591 57.672 58.200 0.105 0.000 1.116 228 S CB 1.898 65.146 63.200 0.080 0.000 0.977 228 S HN 0.206 8.516 8.310 -0.000 0.000 0.480 229 P HA -0.020 4.400 4.420 -0.000 0.000 0.215 229 P C 0.060 177.440 177.300 0.133 0.000 1.157 229 P CA 0.773 63.967 63.100 0.156 0.000 0.868 229 P CB 0.065 31.899 31.700 0.222 0.000 0.788 230 c N -2.981 115.688 118.600 0.114 0.000 3.199 230 c HA 0.318 4.889 4.570 0.003 0.000 0.376 230 c C 1.437 175.549 174.090 0.036 0.000 1.023 230 c CA -1.245 55.123 56.329 0.064 0.000 1.304 230 c CB -0.462 42.079 42.510 0.052 0.000 1.676 230 c HN 0.293 8.523 8.230 -0.000 0.000 0.553 231 K N 0.316 120.728 120.400 0.022 0.000 2.173 231 K HA -0.202 4.120 4.320 0.003 0.000 0.207 231 K C 0.824 177.418 176.600 -0.009 0.000 1.046 231 K CA 2.323 58.614 56.287 0.006 0.000 0.929 231 K CB -0.049 32.447 32.500 -0.006 0.000 0.720 231 K HN 0.680 8.930 8.250 -0.000 0.000 0.453 232 D N 0.288 120.673 120.400 -0.026 0.000 2.354 232 D HA 0.050 4.692 4.640 0.003 0.000 0.209 232 D C -0.073 176.181 176.300 -0.077 0.000 1.015 232 D CA 0.264 54.240 54.000 -0.041 0.000 0.867 232 D CB 0.288 41.065 40.800 -0.038 0.000 0.933 232 D HN 0.136 8.506 8.370 -0.000 0.000 0.520 233 L N 0.609 121.752 121.223 -0.134 0.000 2.356 233 L HA 0.218 4.560 4.340 0.003 0.000 0.277 233 L C -1.270 175.440 176.870 -0.266 0.000 0.996 233 L CA -0.696 53.947 54.840 -0.327 0.000 0.822 233 L CB 0.672 42.428 42.059 -0.506 0.000 1.256 233 L HN -0.003 8.227 8.230 -0.000 0.000 0.413 234 Y N 4.462 124.789 120.300 0.044 0.000 3.057 234 Y HA -0.142 4.410 4.550 0.004 0.000 0.192 234 Y C -1.782 174.137 175.900 0.030 0.000 1.448 234 Y CA 0.400 58.533 58.100 0.055 0.000 1.065 234 Y CB -2.175 36.345 38.460 0.100 0.000 1.369 234 Y HN 0.613 8.893 8.280 -0.000 0.000 0.460 235 P HA -0.065 4.355 4.420 -0.000 0.000 0.242 235 P C 1.368 178.690 177.300 0.036 0.000 1.197 235 P CA 1.481 64.613 63.100 0.053 0.000 0.765 235 P CB 0.447 32.160 31.700 0.022 0.000 0.936 236 T N -0.934 113.656 114.554 0.061 0.000 3.100 236 T HA 0.047 4.399 4.350 0.003 0.000 0.253 236 T C 0.577 175.266 174.700 -0.018 0.000 1.118 236 T CA 0.119 62.236 62.100 0.028 0.000 1.058 236 T CB -0.337 68.562 68.868 0.051 0.000 0.953 236 T HN 0.167 8.407 8.240 -0.000 0.000 0.515 237 E N 1.452 121.625 120.200 -0.045 0.000 2.259 237 E HA 0.266 4.618 4.350 0.003 0.000 0.281 237 E C -1.487 174.900 176.600 -0.355 0.000 1.037 237 E CA -0.407 55.821 56.400 -0.286 0.000 0.854 237 E CB 0.796 30.354 29.700 -0.238 0.000 1.051 237 E HN 0.306 8.666 8.360 -0.000 0.000 0.409 238 Y N 4.171 124.025 120.300 -0.743 0.000 2.315 238 Y HA 0.303 4.855 4.550 0.003 0.000 0.324 238 Y C -2.012 173.497 175.900 -0.651 0.000 1.062 238 Y CA -1.524 56.247 58.100 -0.547 0.000 1.159 238 Y CB 0.535 38.827 38.460 -0.279 0.000 1.145 238 Y HN 0.342 8.622 8.280 -0.000 0.000 0.442 239 F N 7.662 127.247 119.950 -0.608 0.000 2.382 239 F HA 0.514 5.042 4.527 0.003 0.000 0.361 239 F C -2.332 173.023 175.800 -0.742 0.000 1.109 239 F CA -3.179 54.466 58.000 -0.591 0.000 1.031 239 F CB 1.331 40.099 39.000 -0.388 0.000 1.234 239 F HN 0.372 8.672 8.300 -0.000 0.000 0.445 240 P HA 0.013 4.433 4.420 -0.000 0.000 0.258 240 P C -0.402 176.607 177.300 -0.486 0.000 1.187 240 P CA 0.831 63.510 63.100 -0.701 0.000 0.767 240 P CB -0.181 31.245 31.700 -0.458 0.000 0.770 241 H N 1.916 120.771 119.070 -0.358 0.000 2.958 241 H HA -0.191 4.367 4.556 0.003 0.000 0.274 241 H C 1.188 176.413 175.328 -0.172 0.000 1.184 241 H CA 0.702 56.443 56.048 -0.512 0.000 1.143 241 H CB -2.139 27.420 29.762 -0.338 0.000 1.297 241 H HN 0.811 9.091 8.280 -0.000 0.000 0.356 242 G N 0.080 108.854 108.800 -0.043 0.000 2.198 242 G HA2 -0.293 3.669 3.960 0.003 0.000 0.260 242 G HA3 -0.293 3.669 3.960 0.003 0.000 0.260 242 G C 0.302 175.199 174.900 -0.006 0.000 1.025 242 G CA 0.660 45.783 45.100 0.038 0.000 0.769 242 G HN 1.012 9.302 8.290 -0.000 0.000 0.507 243 I N -3.488 117.073 120.570 -0.015 0.000 2.865 243 I HA 0.964 5.135 4.170 0.003 0.000 0.302 243 I C -0.551 175.513 176.117 -0.087 0.000 1.140 243 I CA -0.806 60.488 61.300 -0.010 0.000 1.021 243 I CB 2.703 40.809 38.000 0.176 0.000 1.233 243 I HN 0.183 8.393 8.210 -0.000 0.000 0.427 244 T N 2.696 117.126 114.554 -0.206 0.000 2.982 244 T HA 0.261 4.612 4.350 0.003 0.000 0.321 244 T C -1.316 172.933 174.700 -0.752 0.000 1.229 244 T CA -0.728 61.165 62.100 -0.345 0.000 1.044 244 T CB 1.472 69.972 68.868 -0.614 0.000 1.184 244 T HN 0.934 9.174 8.240 -0.000 0.000 0.477 245 N N 2.333 120.497 118.700 -0.895 0.000 2.492 245 N HA 0.148 4.890 4.740 0.003 0.000 0.262 245 N C 1.460 176.537 175.510 -0.722 0.000 1.202 245 N CA 0.588 52.816 53.050 -1.370 0.000 0.926 245 N CB 1.259 38.972 38.487 -1.289 0.000 1.078 245 N HN 0.807 9.187 8.380 -0.000 0.000 0.454 246 G N 3.244 111.651 108.800 -0.655 0.000 2.511 246 G HA2 -0.302 3.660 3.960 0.003 0.000 0.216 246 G HA3 -0.302 3.660 3.960 0.003 0.000 0.216 246 G C 1.415 176.122 174.900 -0.322 0.000 1.218 246 G CA 1.229 46.088 45.100 -0.402 0.000 0.788 246 G HN 0.781 9.071 8.290 -0.000 0.000 0.560 247 A N 0.066 122.709 122.820 -0.294 0.000 1.917 247 A HA -0.205 4.117 4.320 0.003 0.000 0.219 247 A C 2.320 179.830 177.584 -0.124 0.000 1.182 247 A CA 2.277 54.199 52.037 -0.192 0.000 0.633 247 A CB -0.593 18.326 19.000 -0.134 0.000 0.819 247 A HN 0.508 8.658 8.150 -0.000 0.000 0.448 248 Q N -2.055 117.663 119.800 -0.137 0.000 2.224 248 Q HA -0.202 4.139 4.340 0.003 0.000 0.203 248 Q C 1.855 177.941 176.000 0.143 0.000 0.970 248 Q CA 1.581 57.389 55.803 0.009 0.000 0.865 248 Q CB -0.210 28.552 28.738 0.040 0.000 0.922 248 Q HN 0.870 9.140 8.270 -0.000 0.000 0.445 249 W N 1.010 122.241 121.300 -0.115 0.000 2.408 249 W HA -0.122 4.540 4.660 0.004 0.000 0.311 249 W C -0.278 176.296 176.519 0.091 0.000 1.190 249 W CA 1.502 58.848 57.345 0.002 0.000 1.321 249 W CB 0.026 29.409 29.460 -0.128 0.000 1.143 249 W HN 0.177 8.357 8.180 -0.000 0.000 0.501 250 Y N -1.616 118.599 120.300 -0.142 0.000 2.522 250 Y HA 0.280 4.831 4.550 0.002 0.000 0.326 250 Y C -1.048 174.702 175.900 -0.251 0.000 1.198 250 Y CA -2.098 55.840 58.100 -0.270 0.000 1.112 250 Y CB -0.612 37.569 38.460 -0.465 0.000 1.342 250 Y HN -0.040 8.240 8.280 -0.000 0.000 0.460 251 N N 1.625 120.329 118.700 0.006 0.000 2.440 251 N HA 0.384 5.126 4.740 0.003 0.000 0.265 251 N C -1.422 174.063 175.510 -0.041 0.000 1.239 251 N CA 0.186 53.202 53.050 -0.056 0.000 0.909 251 N CB 0.681 39.133 38.487 -0.058 0.000 1.066 251 N HN 0.614 8.994 8.380 -0.000 0.000 0.474 252 V N 6.693 126.543 119.914 -0.108 0.000 2.325 252 V HA 0.427 4.549 4.120 0.003 0.000 0.280 252 V C -2.148 173.921 176.094 -0.042 0.000 1.016 252 V CA -1.287 60.963 62.300 -0.084 0.000 0.818 252 V CB 1.342 33.069 31.823 -0.161 0.000 1.019 252 V HN 0.721 8.911 8.190 -0.000 0.000 0.434 253 P HA 0.459 4.879 4.420 -0.000 0.000 0.296 253 P C 0.622 177.986 177.300 0.108 0.000 1.301 253 P CA 0.078 63.201 63.100 0.039 0.000 0.862 253 P CB 2.037 33.695 31.700 -0.070 0.000 1.046 254 G N 1.530 110.437 108.800 0.178 0.000 2.157 254 G HA2 -0.157 3.805 3.960 0.003 0.000 0.239 254 G HA3 -0.157 3.805 3.960 0.003 0.000 0.239 254 G C 0.518 175.548 174.900 0.218 0.000 0.982 254 G CA -0.166 45.071 45.100 0.228 0.000 0.650 254 G HN 0.875 9.165 8.290 -0.000 0.000 0.527 255 G N -0.788 108.069 108.800 0.095 0.000 2.636 255 G HA2 0.461 4.423 3.960 0.003 0.000 0.246 255 G HA3 0.461 4.423 3.960 0.003 0.000 0.246 255 G C 1.047 175.794 174.900 -0.254 0.000 1.216 255 G CA 0.438 45.521 45.100 -0.029 0.000 0.854 255 G HN 0.698 8.988 8.290 -0.000 0.000 0.572 256 M N 0.064 119.291 119.600 -0.621 0.000 2.288 256 M HA -0.039 4.442 4.480 0.003 0.000 0.266 256 M C 2.454 178.492 176.300 -0.437 0.000 1.072 256 M CA 1.386 55.952 55.300 -1.223 0.000 1.132 256 M CB -0.208 31.714 32.600 -1.130 0.000 1.386 256 M HN 0.810 9.100 8.290 -0.000 0.000 0.432 257 Q N 0.487 120.137 119.800 -0.250 0.000 2.045 257 Q HA -0.270 4.072 4.340 0.003 0.000 0.206 257 Q C 1.056 177.016 176.000 -0.066 0.000 0.991 257 Q CA 2.543 58.261 55.803 -0.141 0.000 0.851 257 Q CB -0.179 28.460 28.738 -0.166 0.000 0.911 257 Q HN 0.506 8.776 8.270 -0.000 0.000 0.418 258 D N -0.756 119.623 120.400 -0.035 0.000 2.224 258 D HA -0.103 4.539 4.640 0.003 0.000 0.205 258 D C 1.167 177.548 176.300 0.136 0.000 0.965 258 D CA 0.627 54.665 54.000 0.064 0.000 0.852 258 D CB -0.407 40.448 40.800 0.092 0.000 0.947 258 D HN 0.428 8.798 8.370 -0.000 0.000 0.494 259 W N 2.076 123.345 121.300 -0.052 0.000 2.333 259 W HA -0.178 4.483 4.660 0.002 0.000 0.316 259 W C 2.035 178.587 176.519 0.054 0.000 1.215 259 W CA 1.458 58.815 57.345 0.019 0.000 1.278 259 W CB -0.383 29.100 29.460 0.037 0.000 1.154 259 W HN -0.108 8.072 8.180 -0.000 0.000 0.486 260 N N -0.609 118.244 118.700 0.255 0.000 2.055 260 N HA -0.376 4.366 4.740 0.003 0.000 0.200 260 N C 1.588 177.126 175.510 0.046 0.000 1.037 260 N CA 2.477 55.614 53.050 0.145 0.000 0.881 260 N CB -1.527 37.038 38.487 0.130 0.000 1.075 260 N HN 0.240 8.620 8.380 -0.000 0.000 0.470 261 Y N 1.892 122.178 120.300 -0.022 0.000 2.030 261 Y HA -0.204 4.348 4.550 0.002 0.000 0.272 261 Y C 2.428 178.329 175.900 0.002 0.000 1.185 261 Y CA 1.713 59.788 58.100 -0.040 0.000 1.120 261 Y CB -0.664 37.701 38.460 -0.159 0.000 0.955 261 Y HN 0.100 8.380 8.280 -0.000 0.000 0.495 262 L N -0.164 121.065 121.223 0.010 0.000 2.465 262 L HA -0.145 4.197 4.340 0.003 0.000 0.224 262 L C 0.714 177.410 176.870 -0.291 0.000 1.145 262 L CA 1.277 56.047 54.840 -0.117 0.000 0.834 262 L CB -0.410 41.594 42.059 -0.091 0.000 0.944 262 L HN 0.312 8.542 8.230 -0.000 0.000 0.451 263 N N -1.873 116.538 118.700 -0.481 0.000 2.143 263 N HA 0.037 4.778 4.740 0.003 0.000 0.222 263 N C 0.283 175.562 175.510 -0.384 0.000 1.264 263 N CA 0.334 53.031 53.050 -0.588 0.000 0.897 263 N CB 0.985 38.729 38.487 -1.239 0.000 1.092 263 N HN 0.253 8.633 8.380 -0.000 0.000 0.516 264 T N -3.636 110.775 114.554 -0.239 0.000 2.654 264 T HA 0.353 4.705 4.350 0.003 0.000 0.289 264 T C 0.002 174.695 174.700 -0.010 0.000 1.062 264 T CA -0.718 61.324 62.100 -0.096 0.000 1.041 264 T CB 1.150 70.000 68.868 -0.030 0.000 1.417 264 T HN -0.246 7.994 8.240 -0.000 0.000 0.510 265 N N -0.720 118.000 118.700 0.033 0.000 2.422 265 N HA 0.087 4.828 4.740 0.003 0.000 0.181 265 N C 0.741 176.394 175.510 0.237 0.000 1.080 265 N CA 0.059 53.168 53.050 0.098 0.000 0.893 265 N CB -0.259 38.255 38.487 0.044 0.000 0.973 265 N HN 0.613 8.993 8.380 -0.000 0.000 0.456 266 C N 1.830 121.244 119.300 0.190 0.000 2.657 266 C HA 0.131 4.593 4.460 0.003 0.000 0.420 266 C C -0.269 175.035 174.990 0.523 0.000 1.323 266 C CA -0.207 58.949 59.018 0.230 0.000 1.894 266 C CB -1.232 26.569 27.740 0.102 0.000 2.681 266 C HN 0.098 8.328 8.230 -0.000 0.000 0.613 267 F N 4.182 124.207 119.950 0.126 0.000 2.402 267 F HA 0.482 5.011 4.527 0.004 0.000 0.355 267 F C 0.238 176.170 175.800 0.220 0.000 1.123 267 F CA -0.583 57.577 58.000 0.266 0.000 1.021 267 F CB 1.025 40.090 39.000 0.108 0.000 1.160 267 F HN 0.645 8.945 8.300 -0.000 0.000 0.451 268 E N 2.490 122.905 120.200 0.358 0.000 2.238 268 E HA 0.720 5.072 4.350 0.003 0.000 0.267 268 E C -1.783 174.882 176.600 0.109 0.000 0.887 268 E CA -0.613 55.893 56.400 0.176 0.000 0.769 268 E CB 2.439 32.156 29.700 0.028 0.000 1.187 268 E HN 0.395 8.755 8.360 -0.000 0.000 0.416 269 V N 2.460 122.431 119.914 0.095 0.000 2.769 269 V HA 0.396 4.518 4.120 0.003 0.000 0.312 269 V C -0.545 175.497 176.094 -0.086 0.000 1.061 269 V CA -0.576 61.725 62.300 0.002 0.000 0.931 269 V CB 2.411 34.294 31.823 0.099 0.000 1.010 269 V HN 0.795 8.985 8.190 -0.000 0.000 0.433 270 T N 5.679 120.159 114.554 -0.123 0.000 2.749 270 T HA 0.596 4.947 4.350 0.003 0.000 0.287 270 T C -0.300 174.320 174.700 -0.135 0.000 0.970 270 T CA -0.013 62.025 62.100 -0.104 0.000 0.980 270 T CB 0.378 69.157 68.868 -0.148 0.000 0.924 270 T HN 0.359 8.599 8.240 -0.000 0.000 0.456 271 I N 3.254 123.749 120.570 -0.125 0.000 2.355 271 I HA 0.269 4.441 4.170 0.003 0.000 0.288 271 I C 0.253 176.334 176.117 -0.059 0.000 0.999 271 I CA -0.794 60.379 61.300 -0.212 0.000 1.163 271 I CB 1.287 39.007 38.000 -0.468 0.000 1.316 271 I HN 0.394 8.604 8.210 -0.000 0.000 0.454 272 E N 7.286 127.462 120.200 -0.040 0.000 2.044 272 E HA 0.217 4.569 4.350 0.003 0.000 0.282 272 E C 0.548 177.193 176.600 0.075 0.000 1.031 272 E CA -0.263 56.179 56.400 0.069 0.000 0.824 272 E CB 1.693 31.436 29.700 0.072 0.000 1.076 272 E HN 0.611 8.971 8.360 -0.000 0.000 0.395 273 L N 1.556 122.843 121.223 0.107 0.000 2.599 273 L HA 0.167 4.509 4.340 0.003 0.000 0.230 273 L C 0.986 178.013 176.870 0.261 0.000 1.141 273 L CA 0.116 55.052 54.840 0.161 0.000 0.877 273 L CB -0.018 42.111 42.059 0.117 0.000 1.009 273 L HN 0.520 8.750 8.230 -0.000 0.000 0.447 274 G N -2.877 106.067 108.800 0.240 0.000 2.343 274 G HA2 0.002 3.964 3.960 0.003 0.000 0.298 274 G HA3 0.002 3.964 3.960 0.003 0.000 0.298 274 G C -0.111 174.954 174.900 0.274 0.000 1.644 274 G CA -0.642 44.637 45.100 0.297 0.000 0.958 274 G HN -0.153 8.137 8.290 -0.000 0.000 0.702 275 c N 0.005 118.772 118.600 0.279 0.000 2.422 275 c HA 0.088 4.660 4.570 0.003 0.000 0.279 275 c C 1.799 176.053 174.090 0.273 0.000 1.305 275 c CA 0.779 57.302 56.329 0.324 0.000 1.757 275 c CB -0.768 41.906 42.510 0.274 0.000 1.962 275 c HN 0.547 8.777 8.230 -0.000 0.000 0.499 276 V N 2.537 122.590 119.914 0.233 0.000 2.356 276 V HA 0.046 4.168 4.120 0.003 0.000 0.258 276 V C 1.117 177.320 176.094 0.182 0.000 1.065 276 V CA 0.188 62.608 62.300 0.200 0.000 0.935 276 V CB 0.335 32.283 31.823 0.208 0.000 1.061 276 V HN 0.512 8.702 8.190 -0.000 0.000 0.484 277 K N 3.256 123.762 120.400 0.177 0.000 2.034 277 K HA -0.184 4.138 4.320 0.003 0.000 0.214 277 K C 0.515 177.198 176.600 0.137 0.000 1.051 277 K CA 1.777 58.153 56.287 0.149 0.000 0.931 277 K CB -0.018 32.575 32.500 0.155 0.000 0.715 277 K HN 0.583 8.833 8.250 -0.000 0.000 0.446 278 Y N 1.753 122.077 120.300 0.040 0.000 2.747 278 Y HA 0.252 4.803 4.550 0.003 0.000 0.362 278 Y C -2.605 173.333 175.900 0.063 0.000 1.026 278 Y CA -3.877 54.233 58.100 0.016 0.000 1.135 278 Y CB 0.243 38.671 38.460 -0.054 0.000 1.175 278 Y HN -0.012 8.268 8.280 -0.000 0.000 0.643 279 P HA 0.045 4.465 4.420 -0.000 0.000 0.272 279 P C -0.489 177.057 177.300 0.410 0.000 1.240 279 P CA -0.175 63.112 63.100 0.312 0.000 0.791 279 P CB 1.472 33.356 31.700 0.307 0.000 0.978 280 K N 0.603 121.171 120.400 0.280 0.000 2.382 280 K HA 0.154 4.476 4.320 0.003 0.000 0.275 280 K C 1.628 178.380 176.600 0.253 0.000 1.009 280 K CA 0.018 56.467 56.287 0.271 0.000 0.970 280 K CB 0.195 32.781 32.500 0.143 0.000 0.934 280 K HN 0.401 8.651 8.250 -0.000 0.000 0.479 281 A N 3.376 126.332 122.820 0.226 0.000 2.042 281 A HA -0.266 4.055 4.320 0.003 0.000 0.222 281 A C 1.900 179.472 177.584 -0.019 0.000 1.167 281 A CA 2.143 54.128 52.037 -0.087 0.000 0.649 281 A CB -0.661 18.334 19.000 -0.007 0.000 0.809 281 A HN 0.957 9.107 8.150 -0.000 0.000 0.457 282 E N -0.567 119.661 120.200 0.046 0.000 2.150 282 E HA -0.215 4.137 4.350 0.003 0.000 0.193 282 E C 1.259 177.871 176.600 0.019 0.000 0.985 282 E CA 1.186 57.606 56.400 0.033 0.000 0.814 282 E CB -0.328 29.397 29.700 0.043 0.000 0.752 282 E HN 0.553 8.913 8.360 -0.000 0.000 0.466 283 E N 1.291 121.531 120.200 0.067 0.000 2.208 283 E HA -0.065 4.287 4.350 0.003 0.000 0.193 283 E C 2.343 179.017 176.600 0.124 0.000 0.988 283 E CA 0.357 56.816 56.400 0.097 0.000 0.828 283 E CB -0.279 29.555 29.700 0.223 0.000 0.763 283 E HN 0.397 8.757 8.360 -0.000 0.000 0.478 284 L N 1.488 122.760 121.223 0.083 0.000 2.011 284 L HA -0.239 4.103 4.340 0.003 0.000 0.225 284 L C -0.241 176.514 176.870 -0.191 0.000 1.084 284 L CA 2.278 57.138 54.840 0.033 0.000 0.791 284 L CB -2.208 39.828 42.059 -0.039 0.000 0.898 284 L HN 0.181 8.411 8.230 -0.000 0.000 0.440 285 P HA -0.232 4.188 4.420 -0.000 0.000 0.216 285 P C 1.403 178.463 177.300 -0.400 0.000 1.150 285 P CA 1.648 64.015 63.100 -1.221 0.000 0.843 285 P CB -0.128 30.928 31.700 -1.074 0.000 0.787 286 K N -0.789 119.485 120.400 -0.210 0.000 2.097 286 K HA -0.170 4.151 4.320 0.003 0.000 0.206 286 K C 2.227 178.748 176.600 -0.131 0.000 1.049 286 K CA 1.179 57.372 56.287 -0.157 0.000 0.933 286 K CB -0.465 31.918 32.500 -0.194 0.000 0.717 286 K HN 0.028 8.278 8.250 -0.000 0.000 0.442 287 Y N -0.217 120.061 120.300 -0.037 0.000 2.274 287 Y HA -0.251 4.301 4.550 0.003 0.000 0.290 287 Y C 2.111 178.053 175.900 0.071 0.000 1.145 287 Y CA 1.556 59.669 58.100 0.023 0.000 1.203 287 Y CB -0.243 38.245 38.460 0.047 0.000 0.984 287 Y HN 0.347 8.627 8.280 -0.000 0.000 0.533 288 W N 1.149 122.479 121.300 0.051 0.000 2.443 288 W HA -0.160 4.502 4.660 0.003 0.000 0.296 288 W C 1.762 178.285 176.519 0.007 0.000 1.202 288 W CA 1.659 59.041 57.345 0.062 0.000 1.312 288 W CB -0.205 29.368 29.460 0.188 0.000 1.120 288 W HN 0.128 8.308 8.180 -0.000 0.000 0.536 289 E N 0.973 121.137 120.200 -0.061 0.000 2.204 289 E HA -0.253 4.099 4.350 0.003 0.000 0.195 289 E C 2.082 178.536 176.600 -0.244 0.000 0.990 289 E CA 1.858 58.140 56.400 -0.197 0.000 0.821 289 E CB -0.471 29.197 29.700 -0.053 0.000 0.750 289 E HN 0.450 8.810 8.360 -0.000 0.000 0.477 290 Q N -0.874 118.822 119.800 -0.173 0.000 2.398 290 Q HA 0.140 4.482 4.340 0.003 0.000 0.204 290 Q C 1.234 177.128 176.000 -0.177 0.000 0.932 290 Q CA 0.628 56.339 55.803 -0.152 0.000 0.916 290 Q CB 0.346 29.020 28.738 -0.108 0.000 1.024 290 Q HN 0.257 8.527 8.270 -0.000 0.000 0.504 291 N N 0.013 118.584 118.700 -0.215 0.000 2.273 291 N HA 0.038 4.780 4.740 0.003 0.000 0.192 291 N C 1.308 176.556 175.510 -0.436 0.000 1.132 291 N CA -0.010 52.900 53.050 -0.234 0.000 0.887 291 N CB 0.424 38.908 38.487 -0.005 0.000 1.048 291 N HN 0.131 8.511 8.380 -0.000 0.000 0.490 292 R N 1.908 121.965 120.500 -0.739 0.000 2.115 292 R HA -0.173 4.169 4.340 0.003 0.000 0.239 292 R C 2.160 178.105 176.300 -0.593 0.000 1.133 292 R CA 1.841 57.321 56.100 -1.033 0.000 0.935 292 R CB -0.071 29.316 30.300 -1.522 0.000 0.853 292 R HN -0.096 8.174 8.270 -0.000 0.000 0.433 293 R N 0.674 120.900 120.500 -0.456 0.000 2.096 293 R HA -0.013 4.329 4.340 0.003 0.000 0.235 293 R C 2.126 178.248 176.300 -0.296 0.000 1.127 293 R CA 2.166 58.081 56.100 -0.309 0.000 0.968 293 R CB -0.706 29.449 30.300 -0.242 0.000 0.861 293 R HN 0.323 8.593 8.270 -0.000 0.000 0.440 294 S N 0.664 116.106 115.700 -0.430 0.000 2.351 294 S HA -0.099 4.372 4.470 0.003 0.000 0.220 294 S C 1.704 176.080 174.600 -0.374 0.000 1.035 294 S CA 1.255 59.043 58.200 -0.686 0.000 1.031 294 S CB -0.340 61.985 63.200 -1.459 0.000 0.928 294 S HN 0.174 8.484 8.310 -0.000 0.000 0.433 295 L N 1.068 122.186 121.223 -0.175 0.000 2.081 295 L HA -0.096 4.246 4.340 0.003 0.000 0.212 295 L C 2.218 179.248 176.870 0.267 0.000 1.080 295 L CA 1.435 56.425 54.840 0.249 0.000 0.754 295 L CB -1.657 40.454 42.059 0.086 0.000 0.893 295 L HN 0.277 8.507 8.230 -0.000 0.000 0.433 296 L N -0.767 120.476 121.223 0.034 0.000 1.973 296 L HA -0.154 4.187 4.340 0.003 0.000 0.208 296 L C 2.693 179.584 176.870 0.036 0.000 1.073 296 L CA 1.515 56.369 54.840 0.024 0.000 0.746 296 L CB -1.392 40.634 42.059 -0.054 0.000 0.891 296 L HN 0.300 8.530 8.230 -0.000 0.000 0.433 297 Q N -1.284 118.522 119.800 0.010 0.000 2.152 297 Q HA -0.254 4.088 4.340 0.003 0.000 0.206 297 Q C 2.213 178.269 176.000 0.093 0.000 0.985 297 Q CA 1.579 57.395 55.803 0.021 0.000 0.863 297 Q CB -0.710 28.021 28.738 -0.012 0.000 0.904 297 Q HN 0.422 8.692 8.270 -0.000 0.000 0.422 298 F N 1.019 121.016 119.950 0.078 0.000 2.075 298 F HA -0.181 4.348 4.527 0.003 0.000 0.297 298 F C 2.131 177.945 175.800 0.024 0.000 1.113 298 F CA 1.099 59.203 58.000 0.173 0.000 1.218 298 F CB -0.373 38.901 39.000 0.457 0.000 0.984 298 F HN -0.028 8.272 8.300 -0.000 0.000 0.472 299 I N 0.468 120.951 120.570 -0.144 0.000 2.194 299 I HA -0.396 3.776 4.170 0.003 0.000 0.246 299 I C 2.257 178.068 176.117 -0.511 0.000 1.093 299 I CA 1.723 62.597 61.300 -0.708 0.000 1.355 299 I CB -0.639 36.925 38.000 -0.727 0.000 1.046 299 I HN 0.161 8.371 8.210 -0.000 0.000 0.413 300 K N 0.383 120.630 120.400 -0.256 0.000 2.152 300 K HA -0.217 4.105 4.320 0.003 0.000 0.206 300 K C 2.039 178.536 176.600 -0.171 0.000 1.048 300 K CA 1.039 57.248 56.287 -0.130 0.000 0.933 300 K CB -0.213 32.264 32.500 -0.038 0.000 0.721 300 K HN 0.373 8.623 8.250 -0.000 0.000 0.447 301 Q N 0.563 120.213 119.800 -0.250 0.000 2.297 301 Q HA -0.136 4.206 4.340 0.003 0.000 0.208 301 Q C 2.099 177.943 176.000 -0.260 0.000 0.981 301 Q CA 0.858 56.519 55.803 -0.236 0.000 0.876 301 Q CB -0.463 28.077 28.738 -0.330 0.000 0.921 301 Q HN 0.198 8.468 8.270 -0.000 0.000 0.446 302 V N 0.851 120.547 119.914 -0.364 0.000 2.867 302 V HA -0.209 3.913 4.120 0.003 0.000 0.260 302 V C 1.684 177.513 176.094 -0.442 0.000 1.099 302 V CA 1.516 63.581 62.300 -0.393 0.000 1.122 302 V CB -0.406 31.157 31.823 -0.434 0.000 0.708 302 V HN 0.380 8.570 8.190 -0.000 0.000 0.490 303 H N -0.218 118.748 119.070 -0.174 0.000 2.520 303 H HA 0.239 4.797 4.556 0.003 0.000 0.279 303 H C 1.379 176.658 175.328 -0.081 0.000 0.990 303 H CA 0.048 55.996 56.048 -0.167 0.000 1.288 303 H CB 0.104 29.766 29.762 -0.166 0.000 1.446 303 H HN 0.429 8.709 8.280 -0.000 0.000 0.538 304 R N 0.413 120.934 120.500 0.035 0.000 2.774 304 R HA 0.251 4.593 4.340 0.003 0.000 0.269 304 R C 1.023 177.360 176.300 0.062 0.000 1.068 304 R CA 0.826 56.956 56.100 0.051 0.000 1.180 304 R CB 0.420 30.728 30.300 0.013 0.000 1.077 304 R HN 0.435 8.705 8.270 -0.000 0.000 0.513 305 G N 0.946 109.800 108.800 0.091 0.000 2.578 305 G HA2 -0.240 3.721 3.960 0.003 0.000 0.232 305 G HA3 -0.240 3.721 3.960 0.003 0.000 0.232 305 G C -0.521 174.480 174.900 0.169 0.000 1.176 305 G CA -0.492 44.662 45.100 0.089 0.000 0.968 305 G HN 0.508 8.798 8.290 -0.000 0.000 0.583 306 I N 1.125 121.806 120.570 0.184 0.000 2.828 306 I HA 0.739 4.911 4.170 0.003 0.000 0.302 306 I C -0.404 175.862 176.117 0.248 0.000 1.101 306 I CA -0.704 60.730 61.300 0.222 0.000 1.031 306 I CB 2.255 40.375 38.000 0.201 0.000 1.231 306 I HN 1.002 9.212 8.210 -0.000 0.000 0.427 307 W N 3.738 124.895 121.300 -0.239 0.000 3.059 307 W HA 0.798 5.460 4.660 0.003 0.000 0.329 307 W C -0.743 175.207 176.519 -0.948 0.000 1.246 307 W CA -0.895 55.936 57.345 -0.857 0.000 1.190 307 W CB 0.564 29.710 29.460 -0.523 0.000 1.423 307 W HN 0.814 8.994 8.180 -0.000 0.000 0.571 308 G N 0.322 108.220 108.800 -1.503 0.000 2.404 308 G HA2 0.497 4.459 3.960 0.003 0.000 0.253 308 G HA3 0.497 4.459 3.960 0.003 0.000 0.253 308 G C -2.596 171.826 174.900 -0.796 0.000 1.253 308 G CA -0.910 43.642 45.100 -0.914 0.000 0.917 308 G HN 0.498 8.788 8.290 -0.000 0.000 0.480 309 F N -0.879 119.046 119.950 -0.041 0.000 2.603 309 F HA 0.682 5.211 4.527 0.003 0.000 0.317 309 F C 0.078 175.980 175.800 0.171 0.000 1.066 309 F CA -1.000 57.038 58.000 0.063 0.000 0.941 309 F CB 2.576 41.574 39.000 -0.004 0.000 1.291 309 F HN 0.263 8.563 8.300 -0.000 0.000 0.472 310 V N 4.016 124.101 119.914 0.284 0.000 2.257 310 V HA 0.333 4.455 4.120 0.003 0.000 0.269 310 V C -0.367 175.784 176.094 0.094 0.000 1.040 310 V CA -0.490 61.894 62.300 0.139 0.000 0.813 310 V CB 0.384 32.186 31.823 -0.034 0.000 1.065 310 V HN 0.479 8.669 8.190 -0.000 0.000 0.457 311 L N 3.251 124.545 121.223 0.117 0.000 2.326 311 L HA 0.473 4.815 4.340 0.003 0.000 0.278 311 L C 0.433 177.348 176.870 0.075 0.000 1.092 311 L CA -0.386 54.498 54.840 0.073 0.000 0.810 311 L CB 0.734 42.825 42.059 0.054 0.000 1.153 311 L HN 0.432 8.662 8.230 -0.000 0.000 0.439 312 D N 2.361 122.815 120.400 0.089 0.000 2.338 312 D HA 0.194 4.836 4.640 0.003 0.000 0.255 312 D C 0.927 177.335 176.300 0.179 0.000 1.237 312 D CA -0.016 54.129 54.000 0.242 0.000 0.883 312 D CB 1.845 42.818 40.800 0.289 0.000 1.087 312 D HN 0.609 8.979 8.370 -0.000 0.000 0.485 313 A N 3.426 126.354 122.820 0.180 0.000 1.958 313 A HA -0.247 4.074 4.320 0.003 0.000 0.221 313 A C 2.114 179.731 177.584 0.055 0.000 1.178 313 A CA 2.628 54.720 52.037 0.092 0.000 0.642 313 A CB -0.990 18.057 19.000 0.077 0.000 0.816 313 A HN 0.730 8.880 8.150 -0.000 0.000 0.453 314 T N -3.067 111.518 114.554 0.052 0.000 2.809 314 T HA -0.102 4.250 4.350 0.003 0.000 0.260 314 T C 1.501 176.218 174.700 0.027 0.000 1.039 314 T CA 1.404 63.517 62.100 0.020 0.000 1.141 314 T CB -0.365 68.498 68.868 -0.008 0.000 0.869 314 T HN 0.385 8.625 8.240 -0.000 0.000 0.437 315 D N 1.461 121.891 120.400 0.049 0.000 2.103 315 D HA 0.123 4.765 4.640 0.003 0.000 0.199 315 D C 1.877 178.192 176.300 0.025 0.000 0.978 315 D CA 1.704 55.727 54.000 0.038 0.000 0.829 315 D CB -0.470 40.362 40.800 0.054 0.000 0.981 315 D HN 0.689 9.059 8.370 -0.000 0.000 0.464 316 G N 1.311 110.131 108.800 0.034 0.000 2.159 316 G HA2 -0.245 3.717 3.960 0.003 0.000 0.227 316 G HA3 -0.245 3.717 3.960 0.003 0.000 0.227 316 G C 0.303 175.202 174.900 -0.001 0.000 0.986 316 G CA 0.350 45.458 45.100 0.012 0.000 0.651 316 G HN 0.505 8.795 8.290 -0.000 0.000 0.523 317 R N -0.133 120.377 120.500 0.017 0.000 2.854 317 R HA 0.721 5.063 4.340 0.003 0.000 0.271 317 R C 0.631 176.948 176.300 0.028 0.000 0.996 317 R CA -0.504 55.600 56.100 0.007 0.000 0.961 317 R CB 0.886 31.191 30.300 0.007 0.000 1.182 317 R HN 0.699 8.969 8.270 -0.000 0.000 0.479 318 G N 1.891 110.713 108.800 0.038 0.000 2.321 318 G HA2 0.177 4.139 3.960 0.003 0.000 0.237 318 G HA3 0.177 4.139 3.960 0.003 0.000 0.237 318 G C -0.031 174.879 174.900 0.016 0.000 1.282 318 G CA -0.452 44.691 45.100 0.071 0.000 0.886 318 G HN 0.472 8.762 8.290 -0.000 0.000 0.528 319 I N 1.284 121.834 120.570 -0.032 0.000 2.428 319 I HA 0.244 4.415 4.170 0.003 0.000 0.296 319 I C -0.034 176.035 176.117 -0.080 0.000 0.985 319 I CA -0.785 60.441 61.300 -0.123 0.000 1.260 319 I CB 1.758 39.563 38.000 -0.324 0.000 1.389 319 I HN 0.300 8.510 8.210 -0.000 0.000 0.484 320 L N 6.818 127.997 121.223 -0.075 0.000 2.264 320 L HA 0.409 4.750 4.340 0.003 0.000 0.289 320 L C 0.259 177.099 176.870 -0.051 0.000 1.044 320 L CA 0.188 54.997 54.840 -0.050 0.000 0.807 320 L CB 0.441 42.467 42.059 -0.054 0.000 1.192 320 L HN 0.744 8.974 8.230 -0.000 0.000 0.425 321 N N 2.764 121.447 118.700 -0.028 0.000 2.862 321 N HA -0.157 4.585 4.740 0.003 0.000 0.248 321 N C -0.537 174.925 175.510 -0.080 0.000 1.116 321 N CA 0.898 53.929 53.050 -0.033 0.000 0.727 321 N CB -1.101 37.374 38.487 -0.021 0.000 1.083 321 N HN 0.992 9.372 8.380 -0.000 0.000 0.555 322 A N -0.728 122.023 122.820 -0.116 0.000 2.296 322 A HA 0.652 4.974 4.320 0.003 0.000 0.264 322 A C 0.494 177.971 177.584 -0.179 0.000 1.097 322 A CA 0.577 52.511 52.037 -0.171 0.000 0.811 322 A CB 0.526 19.396 19.000 -0.216 0.000 1.072 322 A HN 0.317 8.467 8.150 -0.000 0.000 0.495 323 T N 1.560 115.984 114.554 -0.216 0.000 2.807 323 T HA 0.483 4.835 4.350 0.003 0.000 0.279 323 T C -0.475 174.020 174.700 -0.342 0.000 0.993 323 T CA -0.150 61.810 62.100 -0.233 0.000 0.970 323 T CB 0.607 69.367 68.868 -0.180 0.000 0.950 323 T HN 0.367 8.607 8.240 -0.000 0.000 0.441 324 I N 3.502 123.842 120.570 -0.382 0.000 2.312 324 I HA 0.347 4.519 4.170 0.003 0.000 0.290 324 I C 0.291 176.213 176.117 -0.326 0.000 1.008 324 I CA -0.365 60.629 61.300 -0.509 0.000 1.226 324 I CB 1.053 38.637 38.000 -0.693 0.000 1.371 324 I HN 0.542 8.752 8.210 -0.000 0.000 0.468 325 S N 5.477 121.012 115.700 -0.275 0.000 2.472 325 S HA 0.692 5.164 4.470 0.003 0.000 0.303 325 S C -0.074 174.460 174.600 -0.110 0.000 1.099 325 S CA -0.597 57.507 58.200 -0.159 0.000 1.077 325 S CB 2.588 65.718 63.200 -0.117 0.000 1.031 325 S HN 0.307 8.617 8.310 -0.000 0.000 0.487 326 V N 2.449 122.329 119.914 -0.056 0.000 2.667 326 V HA 0.631 4.753 4.120 0.003 0.000 0.308 326 V C 1.208 177.340 176.094 0.063 0.000 1.048 326 V CA -0.323 61.974 62.300 -0.006 0.000 0.928 326 V CB 1.271 33.059 31.823 -0.058 0.000 1.004 326 V HN 1.129 9.319 8.190 -0.000 0.000 0.444 327 A N 2.855 125.752 122.820 0.128 0.000 2.705 327 A HA -0.289 4.032 4.320 0.003 0.000 0.261 327 A C 1.145 178.798 177.584 0.115 0.000 1.212 327 A CA 2.531 54.657 52.037 0.149 0.000 1.092 327 A CB -0.852 18.297 19.000 0.248 0.000 0.505 327 A HN 0.879 9.029 8.150 -0.000 0.000 0.426 328 D N -0.188 120.295 120.400 0.139 0.000 2.738 328 D HA 0.409 5.051 4.640 0.003 0.000 0.246 328 D C -0.567 175.805 176.300 0.121 0.000 1.270 328 D CA 0.146 54.212 54.000 0.111 0.000 0.833 328 D CB -0.079 40.781 40.800 0.099 0.000 1.040 328 D HN 0.386 8.756 8.370 -0.000 0.000 0.487 329 I N 0.929 121.571 120.570 0.120 0.000 2.355 329 I HA 0.136 4.308 4.170 0.003 0.000 0.288 329 I C 0.778 176.969 176.117 0.123 0.000 0.999 329 I CA -0.506 60.873 61.300 0.130 0.000 1.163 329 I CB 1.467 39.544 38.000 0.129 0.000 1.316 329 I HN -0.216 7.994 8.210 -0.000 0.000 0.454 330 N N 6.562 125.349 118.700 0.144 0.000 3.303 330 N HA 0.035 4.777 4.740 0.003 0.000 0.304 330 N C -0.471 175.156 175.510 0.195 0.000 1.302 330 N CA 0.079 53.210 53.050 0.135 0.000 1.213 330 N CB 0.097 38.661 38.487 0.128 0.000 1.481 330 N HN 0.607 8.987 8.380 -0.000 0.000 0.546 331 H N 1.832 120.925 119.070 0.039 0.000 2.941 331 H HA 0.203 4.761 4.556 0.003 0.000 0.291 331 H C -2.780 172.533 175.328 -0.025 0.000 1.361 331 H CA -1.184 54.854 56.048 -0.016 0.000 1.606 331 H CB 1.332 31.091 29.762 -0.005 0.000 1.848 331 H HN 0.366 8.646 8.280 -0.000 0.000 0.601 332 P HA 0.109 4.529 4.420 -0.000 0.000 0.272 332 P C -0.377 176.705 177.300 -0.364 0.000 1.240 332 P CA -0.384 62.556 63.100 -0.267 0.000 0.791 332 P CB 2.138 33.719 31.700 -0.199 0.000 0.978 333 V N 0.024 119.789 119.914 -0.248 0.000 2.876 333 V HA 0.428 4.550 4.120 0.003 0.000 0.312 333 V C 0.515 176.514 176.094 -0.157 0.000 1.085 333 V CA -0.447 61.741 62.300 -0.187 0.000 0.945 333 V CB 2.052 33.807 31.823 -0.113 0.000 1.017 333 V HN 0.813 9.003 8.190 -0.000 0.000 0.428 334 T N 1.626 116.125 114.554 -0.092 0.000 2.936 334 T HA 0.672 5.024 4.350 0.003 0.000 0.282 334 T C -0.067 174.637 174.700 0.006 0.000 1.003 334 T CA 0.039 62.100 62.100 -0.065 0.000 1.005 334 T CB 1.664 70.506 68.868 -0.044 0.000 1.097 334 T HN 0.972 9.212 8.240 -0.000 0.000 0.532 335 T N 0.934 115.495 114.554 0.012 0.000 2.925 335 T HA 0.546 4.898 4.350 0.003 0.000 0.285 335 T C -0.563 174.249 174.700 0.187 0.000 1.021 335 T CA -0.710 61.429 62.100 0.065 0.000 1.042 335 T CB 1.047 69.916 68.868 0.002 0.000 1.037 335 T HN 0.574 8.814 8.240 -0.000 0.000 0.481 336 Y N 1.034 121.375 120.300 0.069 0.000 2.370 336 Y HA 0.386 4.938 4.550 0.003 0.000 0.377 336 Y C 1.860 177.822 175.900 0.103 0.000 1.371 336 Y CA -1.362 56.803 58.100 0.109 0.000 1.756 336 Y CB 0.450 39.029 38.460 0.199 0.000 1.693 336 Y HN 0.759 9.039 8.280 -0.000 0.000 0.595 337 K N -0.087 119.963 120.400 -0.582 0.000 2.152 337 K HA -0.144 4.178 4.320 0.003 0.000 0.206 337 K C 0.581 177.133 176.600 -0.079 0.000 1.048 337 K CA 1.858 57.904 56.287 -0.402 0.000 0.933 337 K CB -0.017 32.112 32.500 -0.618 0.000 0.721 337 K HN 0.487 8.737 8.250 -0.000 0.000 0.447 338 D N -0.741 119.708 120.400 0.082 0.000 2.358 338 D HA 0.082 4.724 4.640 0.003 0.000 0.224 338 D C 0.755 177.213 176.300 0.264 0.000 1.123 338 D CA 0.507 54.620 54.000 0.187 0.000 0.833 338 D CB 0.731 41.712 40.800 0.302 0.000 0.946 338 D HN 0.345 8.715 8.370 -0.000 0.000 0.505 339 G N 2.468 111.360 108.800 0.152 0.000 2.166 339 G HA2 -0.285 3.677 3.960 0.003 0.000 0.260 339 G HA3 -0.285 3.677 3.960 0.003 0.000 0.260 339 G C -0.035 174.901 174.900 0.060 0.000 0.986 339 G CA 0.472 45.646 45.100 0.123 0.000 0.683 339 G HN 0.410 8.700 8.290 -0.000 0.000 0.527 340 D N -0.197 120.145 120.400 -0.097 0.000 2.341 340 D HA 0.548 5.190 4.640 0.003 0.000 0.245 340 D C 0.232 176.037 176.300 -0.824 0.000 1.106 340 D CA -0.150 53.373 54.000 -0.796 0.000 0.905 340 D CB 0.632 40.903 40.800 -0.882 0.000 1.202 340 D HN 0.792 9.162 8.370 -0.000 0.000 0.426 341 Y N -2.572 117.009 120.300 -1.198 0.000 2.588 341 Y HA 0.708 5.260 4.550 0.003 0.000 0.343 341 Y C -1.777 173.513 175.900 -1.017 0.000 1.065 341 Y CA -1.567 55.998 58.100 -0.891 0.000 1.038 341 Y CB 1.695 39.910 38.460 -0.408 0.000 1.297 341 Y HN 0.397 8.677 8.280 -0.000 0.000 0.467 342 W N 2.511 123.824 121.300 0.022 0.000 3.097 342 W HA 0.540 5.202 4.660 0.003 0.000 0.335 342 W C -1.196 175.338 176.519 0.025 0.000 1.114 342 W CA -0.754 56.568 57.345 -0.038 0.000 1.231 342 W CB 2.500 31.891 29.460 -0.115 0.000 1.388 342 W HN 0.685 8.865 8.180 -0.000 0.000 0.485 343 R N 2.704 123.340 120.500 0.226 0.000 2.483 343 R HA 0.528 4.870 4.340 0.003 0.000 0.303 343 R C -1.455 174.809 176.300 -0.061 0.000 0.987 343 R CA -0.358 55.770 56.100 0.046 0.000 0.881 343 R CB 0.821 31.181 30.300 0.100 0.000 1.177 343 R HN 0.545 8.815 8.270 -0.000 0.000 0.451 344 L N 5.768 126.839 121.223 -0.254 0.000 2.331 344 L HA 0.517 4.859 4.340 0.003 0.000 0.278 344 L C -0.278 176.494 176.870 -0.164 0.000 1.106 344 L CA -0.252 54.452 54.840 -0.227 0.000 0.824 344 L CB 0.554 42.385 42.059 -0.381 0.000 1.142 344 L HN 0.517 8.747 8.230 -0.000 0.000 0.443 345 L N 2.715 123.877 121.223 -0.102 0.000 2.600 345 L HA 0.588 4.930 4.340 0.003 0.000 0.257 345 L C -0.769 176.116 176.870 0.024 0.000 1.048 345 L CA -0.938 53.839 54.840 -0.105 0.000 0.869 345 L CB 2.351 44.219 42.059 -0.318 0.000 1.482 345 L HN 0.165 8.395 8.230 -0.000 0.000 0.408 346 V N -0.037 119.952 119.914 0.125 0.000 2.973 346 V HA 0.234 4.355 4.120 0.003 0.000 0.314 346 V C 0.089 176.325 176.094 0.236 0.000 1.066 346 V CA -0.596 61.800 62.300 0.160 0.000 1.021 346 V CB 1.582 33.491 31.823 0.144 0.000 1.076 346 V HN 0.781 8.971 8.190 -0.000 0.000 0.462 347 Q N 1.263 121.148 119.800 0.142 0.000 2.262 347 Q HA 0.381 4.723 4.340 0.003 0.000 0.298 347 Q C 0.009 176.057 176.000 0.080 0.000 1.083 347 Q CA 0.963 56.833 55.803 0.112 0.000 0.962 347 Q CB 0.104 28.880 28.738 0.063 0.000 1.104 347 Q HN 1.061 9.331 8.270 -0.000 0.000 0.376 348 G N 2.353 111.169 108.800 0.027 0.000 2.321 348 G HA2 0.090 4.052 3.960 0.003 0.000 0.298 348 G HA3 0.090 4.052 3.960 0.003 0.000 0.298 348 G C -1.434 173.248 174.900 -0.363 0.000 1.385 348 G CA -0.781 44.206 45.100 -0.188 0.000 0.856 348 G HN 0.436 8.726 8.290 -0.000 0.000 0.584 349 T N 0.998 115.277 114.554 -0.458 0.000 2.767 349 T HA 0.684 5.036 4.350 0.003 0.000 0.284 349 T C -0.940 173.435 174.700 -0.542 0.000 0.973 349 T CA 0.175 62.068 62.100 -0.346 0.000 0.996 349 T CB 0.651 69.424 68.868 -0.159 0.000 0.927 349 T HN 0.380 8.620 8.240 -0.000 0.000 0.456 350 Y N 0.724 121.048 120.300 0.039 0.000 2.662 350 Y HA 0.568 5.120 4.550 0.003 0.000 0.335 350 Y C 0.537 176.464 175.900 0.046 0.000 1.066 350 Y CA -1.384 56.743 58.100 0.044 0.000 1.116 350 Y CB 1.624 40.115 38.460 0.053 0.000 1.308 350 Y HN 0.271 8.551 8.280 -0.000 0.000 0.502 351 K N 1.715 122.257 120.400 0.237 0.000 2.592 351 K HA 0.431 4.753 4.320 0.003 0.000 0.212 351 K C -1.566 175.117 176.600 0.139 0.000 1.013 351 K CA -0.338 56.039 56.287 0.150 0.000 1.034 351 K CB 1.360 33.919 32.500 0.099 0.000 1.292 351 K HN 0.345 8.595 8.250 -0.000 0.000 0.521 352 V N 1.504 121.517 119.914 0.165 0.000 2.649 352 V HA 0.229 4.351 4.120 0.003 0.000 0.292 352 V C 0.450 176.619 176.094 0.125 0.000 1.055 352 V CA -0.180 62.190 62.300 0.117 0.000 1.023 352 V CB 1.298 33.221 31.823 0.167 0.000 0.992 352 V HN 0.546 8.736 8.190 -0.000 0.000 0.480 353 T N 3.650 118.159 114.554 -0.075 0.000 2.840 353 T HA 0.592 4.944 4.350 0.003 0.000 0.287 353 T C -0.029 174.449 174.700 -0.370 0.000 0.991 353 T CA -0.208 61.834 62.100 -0.097 0.000 0.964 353 T CB 1.426 70.266 68.868 -0.047 0.000 0.954 353 T HN 0.968 9.208 8.240 -0.000 0.000 0.438 354 A N 3.477 125.990 122.820 -0.512 0.000 2.343 354 A HA 0.634 4.956 4.320 0.003 0.000 0.305 354 A C 0.582 178.014 177.584 -0.253 0.000 1.308 354 A CA -0.552 51.114 52.037 -0.618 0.000 0.949 354 A CB -0.081 18.429 19.000 -0.817 0.000 1.148 354 A HN 0.746 8.896 8.150 -0.000 0.000 0.545 355 S N 0.876 116.438 115.700 -0.229 0.000 2.693 355 S HA 0.874 5.346 4.470 0.003 0.000 0.276 355 S C 0.065 174.586 174.600 -0.131 0.000 1.192 355 S CA -0.040 58.083 58.200 -0.127 0.000 0.994 355 S CB 1.565 64.696 63.200 -0.115 0.000 1.012 355 S HN 1.959 10.269 8.310 -0.000 0.000 0.550 356 A N 1.128 123.906 122.820 -0.070 0.000 2.573 356 A HA 0.452 4.774 4.320 0.003 0.000 0.312 356 A C -0.632 176.972 177.584 0.033 0.000 1.041 356 A CA -0.813 51.174 52.037 -0.083 0.000 0.880 356 A CB 0.661 19.529 19.000 -0.221 0.000 1.249 356 A HN 0.753 8.903 8.150 -0.000 0.000 0.385 357 R N 1.416 121.934 120.500 0.030 0.000 2.458 357 R HA 0.402 4.744 4.340 0.003 0.000 0.303 357 R C 1.275 177.702 176.300 0.212 0.000 1.013 357 R CA 1.914 58.065 56.100 0.084 0.000 1.026 357 R CB 0.060 30.386 30.300 0.043 0.000 0.948 357 R HN 2.360 10.630 8.270 -0.000 0.000 0.417 358 G N 2.693 111.598 108.800 0.175 0.000 2.157 358 G HA2 -0.280 3.682 3.960 0.003 0.000 0.248 358 G HA3 -0.280 3.682 3.960 0.003 0.000 0.248 358 G C -0.848 174.100 174.900 0.079 0.000 0.979 358 G CA 0.169 45.349 45.100 0.133 0.000 0.650 358 G HN 0.579 8.869 8.290 -0.000 0.000 0.529 359 Y N -0.075 120.220 120.300 -0.009 0.000 2.634 359 Y HA 0.630 5.182 4.550 0.003 0.000 0.340 359 Y C -0.453 175.444 175.900 -0.005 0.000 1.058 359 Y CA -1.523 56.574 58.100 -0.005 0.000 1.081 359 Y CB 1.369 39.827 38.460 -0.004 0.000 1.295 359 Y HN -0.008 8.272 8.280 -0.000 0.000 0.487 360 D N 3.087 123.586 120.400 0.165 0.000 2.303 360 D HA 0.284 4.926 4.640 0.003 0.000 0.236 360 D C -2.591 173.771 176.300 0.103 0.000 1.068 360 D CA -1.620 52.436 54.000 0.094 0.000 0.830 360 D CB 1.139 41.970 40.800 0.052 0.000 1.109 360 D HN 0.114 8.484 8.370 -0.000 0.000 0.496 361 P HA 0.012 4.432 4.420 -0.000 0.000 0.267 361 P C -0.465 176.882 177.300 0.079 0.000 1.200 361 P CA -0.172 62.960 63.100 0.053 0.000 0.772 361 P CB 0.943 32.657 31.700 0.023 0.000 0.855 362 V N 2.847 122.834 119.914 0.122 0.000 2.914 362 V HA 0.510 4.632 4.120 0.003 0.000 0.314 362 V C 0.092 176.325 176.094 0.231 0.000 1.084 362 V CA -0.321 62.083 62.300 0.173 0.000 0.963 362 V CB 2.409 34.379 31.823 0.244 0.000 1.025 362 V HN 0.586 8.776 8.190 -0.000 0.000 0.432 363 T N 3.852 118.510 114.554 0.172 0.000 2.949 363 T HA 0.467 4.819 4.350 0.003 0.000 0.300 363 T C -0.704 174.067 174.700 0.119 0.000 0.988 363 T CA -0.769 61.443 62.100 0.186 0.000 0.993 363 T CB 1.003 69.931 68.868 0.099 0.000 0.984 363 T HN 0.578 8.818 8.240 -0.000 0.000 0.442 364 K N 1.539 122.020 120.400 0.136 0.000 2.208 364 K HA 0.653 4.975 4.320 0.003 0.000 0.247 364 K C -0.274 176.359 176.600 0.054 0.000 0.953 364 K CA -0.921 55.360 56.287 -0.010 0.000 0.837 364 K CB 1.726 34.091 32.500 -0.225 0.000 1.131 364 K HN 0.326 8.576 8.250 -0.000 0.000 0.431 365 T N 1.814 116.382 114.554 0.024 0.000 2.771 365 T HA 0.313 4.665 4.350 0.003 0.000 0.291 365 T C -0.370 174.358 174.700 0.047 0.000 0.954 365 T CA -0.524 61.604 62.100 0.047 0.000 1.045 365 T CB 0.578 69.460 68.868 0.023 0.000 0.917 365 T HN 0.204 8.444 8.240 -0.000 0.000 0.484 366 V N 3.415 123.388 119.914 0.099 0.000 2.815 366 V HA 0.568 4.690 4.120 0.003 0.000 0.314 366 V C -0.079 176.086 176.094 0.118 0.000 1.064 366 V CA -1.001 61.362 62.300 0.105 0.000 0.952 366 V CB 2.105 34.022 31.823 0.155 0.000 1.020 366 V HN 0.816 9.006 8.190 -0.000 0.000 0.439 367 E N 1.459 121.715 120.200 0.092 0.000 2.235 367 E HA 0.550 4.902 4.350 0.003 0.000 0.252 367 E C -1.594 175.072 176.600 0.109 0.000 0.886 367 E CA -0.351 56.096 56.400 0.079 0.000 0.767 367 E CB 1.800 31.519 29.700 0.032 0.000 1.205 367 E HN 0.527 8.887 8.360 -0.000 0.000 0.421 368 V N 4.547 124.563 119.914 0.171 0.000 2.509 368 V HA 0.259 4.381 4.120 0.003 0.000 0.284 368 V C 0.015 176.183 176.094 0.122 0.000 1.047 368 V CA -0.376 62.031 62.300 0.178 0.000 0.952 368 V CB 1.318 33.312 31.823 0.284 0.000 0.988 368 V HN 0.758 8.948 8.190 -0.000 0.000 0.469 369 D N 2.124 122.580 120.400 0.094 0.000 2.666 369 D HA 0.363 5.005 4.640 0.003 0.000 0.252 369 D C 1.335 177.673 176.300 0.063 0.000 1.143 369 D CA 0.043 54.082 54.000 0.065 0.000 1.096 369 D CB 0.420 41.248 40.800 0.048 0.000 1.260 369 D HN 0.402 8.772 8.370 -0.000 0.000 0.633 370 S N -0.635 115.092 115.700 0.045 0.000 2.359 370 S HA -0.186 4.286 4.470 0.003 0.000 0.223 370 S C 0.934 175.557 174.600 0.038 0.000 1.039 370 S CA 0.821 59.044 58.200 0.038 0.000 1.042 370 S CB -0.691 62.524 63.200 0.026 0.000 0.915 370 S HN 0.450 8.760 8.310 -0.000 0.000 0.439 371 K N 1.210 121.633 120.400 0.038 0.000 2.952 371 K HA 0.470 4.792 4.320 0.003 0.000 0.323 371 K C 1.510 178.141 176.600 0.052 0.000 1.003 371 K CA -0.134 56.175 56.287 0.037 0.000 1.156 371 K CB -0.839 31.680 32.500 0.030 0.000 1.339 371 K HN 0.346 8.596 8.250 -0.000 0.000 0.516 372 G N -0.199 108.633 108.800 0.052 0.000 2.587 372 G HA2 0.029 3.991 3.960 0.003 0.000 0.666 372 G HA3 0.029 3.991 3.960 0.003 0.000 0.666 372 G C 0.114 175.082 174.900 0.114 0.000 1.239 372 G CA 0.050 45.194 45.100 0.074 0.000 1.353 372 G HN 0.510 8.800 8.290 -0.000 0.000 0.780 373 G N -2.499 106.402 108.800 0.169 0.000 2.434 373 G HA2 0.519 4.481 3.960 0.003 0.000 0.330 373 G HA3 0.519 4.481 3.960 0.003 0.000 0.330 373 G C -0.900 174.185 174.900 0.308 0.000 1.155 373 G CA -0.442 44.816 45.100 0.262 0.000 0.917 373 G HN 0.680 8.970 8.290 -0.000 0.000 0.493 374 V N 1.013 121.068 119.914 0.235 0.000 2.427 374 V HA 0.334 4.456 4.120 0.003 0.000 0.286 374 V C 0.255 176.257 176.094 -0.153 0.000 1.034 374 V CA -0.653 61.698 62.300 0.086 0.000 0.893 374 V CB 1.470 33.328 31.823 0.058 0.000 0.982 374 V HN 0.803 8.993 8.190 -0.000 0.000 0.452 375 Q N 3.039 122.634 119.800 -0.342 0.000 2.267 375 Q HA 0.621 4.963 4.340 0.003 0.000 0.255 375 Q C -1.554 174.176 176.000 -0.448 0.000 0.923 375 Q CA -0.235 55.061 55.803 -0.846 0.000 0.925 375 Q CB 1.702 29.915 28.738 -0.876 0.000 1.195 375 Q HN 0.594 8.864 8.270 -0.000 0.000 0.417 376 V N 4.963 124.640 119.914 -0.395 0.000 2.612 376 V HA 0.332 4.454 4.120 0.003 0.000 0.301 376 V C -0.866 175.245 176.094 0.027 0.000 1.059 376 V CA -0.985 61.234 62.300 -0.134 0.000 0.886 376 V CB 2.134 33.969 31.823 0.020 0.000 1.007 376 V HN 0.811 9.001 8.190 -0.000 0.000 0.426 377 N N 3.179 121.847 118.700 -0.052 0.000 2.443 377 N HA 0.633 5.375 4.740 0.003 0.000 0.295 377 N C -1.329 174.158 175.510 -0.039 0.000 1.076 377 N CA -0.244 52.864 53.050 0.096 0.000 0.919 377 N CB 1.948 40.461 38.487 0.043 0.000 1.176 377 N HN 0.426 8.806 8.380 -0.000 0.000 0.487 378 F N 0.350 120.331 119.950 0.050 0.000 2.445 378 F HA 0.264 4.793 4.527 0.003 0.000 0.348 378 F C 0.313 176.121 175.800 0.013 0.000 1.125 378 F CA -0.631 57.373 58.000 0.007 0.000 0.983 378 F CB 1.273 40.248 39.000 -0.040 0.000 1.198 378 F HN 0.102 8.402 8.300 -0.000 0.000 0.436 379 T N 5.155 119.784 114.554 0.126 0.000 2.733 379 T HA 0.605 4.957 4.350 0.003 0.000 0.294 379 T C -0.157 174.623 174.700 0.133 0.000 0.956 379 T CA -0.487 61.676 62.100 0.105 0.000 0.987 379 T CB 0.486 69.385 68.868 0.051 0.000 0.920 379 T HN 0.294 8.534 8.240 -0.000 0.000 0.470 380 L N 2.573 123.900 121.223 0.173 0.000 2.329 380 L HA 0.506 4.848 4.340 0.003 0.000 0.279 380 L C 0.452 177.519 176.870 0.329 0.000 1.014 380 L CA -0.882 54.108 54.840 0.250 0.000 0.814 380 L CB 1.738 43.960 42.059 0.272 0.000 1.257 380 L HN 0.585 8.815 8.230 -0.000 0.000 0.424 381 S N 1.731 117.539 115.700 0.181 0.000 2.652 381 S HA 0.529 5.001 4.470 0.003 0.000 0.270 381 S C 0.225 174.748 174.600 -0.129 0.000 1.243 381 S CA -0.831 57.391 58.200 0.037 0.000 0.999 381 S CB 1.543 64.748 63.200 0.008 0.000 0.973 381 S HN 0.517 8.827 8.310 -0.000 0.000 0.544 382 R N 0.246 120.558 120.500 -0.313 0.000 2.542 382 R HA 0.633 4.974 4.340 0.003 0.000 0.227 382 R C -0.099 176.063 176.300 -0.230 0.000 1.257 382 R CA -0.519 55.284 56.100 -0.496 0.000 1.053 382 R CB 0.016 30.028 30.300 -0.480 0.000 1.463 382 R HN 0.730 9.000 8.270 -0.000 0.000 0.550 383 T N 0.000 114.438 114.554 -0.193 0.000 3.816 383 T HA 0.000 4.352 4.350 0.003 0.000 0.228 383 T CA 0.000 62.039 62.100 -0.101 0.000 1.349 383 T CB 0.000 68.829 68.868 -0.065 0.000 0.612 383 T HN 0.000 8.240 8.240 -0.000 0.000 0.658