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 3csw_1_B DATA FIRST_RESID 0 DATA SEQUENCE HVLIWWRGKF RRADEISLDF SLFEKSLQGA VYETLRTYSR APFAAYKHYT DATA SEQUENCE RLKRSADFFN LPLSLSFDEF TKVLKAGADE FKQEVRIKVY LFPDSGEVLF DATA SEQUENCE VFSPLNIPDL ETGVEVKISN VRRIPDLSTP PALKITGRTD IVLARREIVD DATA SEQUENCE CYDVILLGLN GQVCEGSFSN VFLVKEGKLI TPSLDSGILD GITRENVIKL DATA SEQUENCE AKSLEIPVEE RVVWVWELFE ADEXFLTHTS AGVVPVRRLN EHSFFEEEPG DATA SEQUENCE PVTATLXENF EPFVLNLEEN WVGI 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 0 H HA 0.000 4.556 4.556 0.000 0.000 0.296 0 H C 0.000 175.478 175.328 0.250 0.000 0.993 0 H CA 0.000 56.133 56.048 0.142 0.000 1.023 0 H CB 0.000 29.842 29.762 0.133 0.000 1.292 1 V N 2.126 122.166 119.914 0.210 0.000 2.472 1 V HA 0.688 4.808 4.120 -0.001 0.000 0.290 1 V C 0.225 176.499 176.094 0.300 0.000 1.037 1 V CA -0.652 61.813 62.300 0.276 0.000 0.908 1 V CB 1.531 33.470 31.823 0.194 0.000 0.985 1 V HN 0.754 8.944 8.190 0.000 0.000 0.454 2 L N 6.848 128.342 121.223 0.452 0.000 2.346 2 L HA 0.780 5.120 4.340 -0.001 0.000 0.276 2 L C -0.505 176.716 176.870 0.585 0.000 1.006 2 L CA -0.092 55.005 54.840 0.429 0.000 0.817 2 L CB 1.612 43.900 42.059 0.382 0.000 1.272 2 L HN 0.709 8.939 8.230 0.000 0.000 0.421 3 I N 0.286 121.174 120.570 0.529 0.000 2.892 3 I HA 0.621 4.791 4.170 -0.001 0.000 0.306 3 I C -1.848 174.663 176.117 0.657 0.000 1.078 3 I CA -0.740 60.922 61.300 0.605 0.000 1.032 3 I CB 2.099 40.336 38.000 0.395 0.000 1.229 3 I HN 0.850 9.060 8.210 0.000 0.000 0.435 4 W N 6.696 128.281 121.300 0.475 0.000 2.538 4 W HA 0.572 5.232 4.660 -0.000 0.000 0.322 4 W C -1.945 174.837 176.519 0.439 0.000 1.028 4 W CA -0.492 56.954 57.345 0.167 0.000 1.228 4 W CB 1.376 30.698 29.460 -0.230 0.000 1.356 4 W HN 0.712 8.892 8.180 0.000 0.000 0.452 5 W N 7.969 129.085 121.300 -0.305 0.000 3.439 5 W HA 0.348 5.007 4.660 -0.001 0.000 0.323 5 W C -0.342 175.857 176.519 -0.533 0.000 1.174 5 W CA -1.019 56.217 57.345 -0.181 0.000 1.224 5 W CB 1.321 30.782 29.460 0.001 0.000 1.348 5 W HN 0.573 8.753 8.180 0.000 0.000 0.498 6 R N 3.771 123.680 120.500 -0.983 0.000 3.188 6 R HA -0.203 4.136 4.340 -0.001 0.000 0.247 6 R C 0.928 176.783 176.300 -0.740 0.000 0.918 6 R CA 1.539 57.129 56.100 -0.851 0.000 0.629 6 R CB -1.587 28.206 30.300 -0.847 0.000 1.087 6 R HN 1.211 9.481 8.270 0.000 0.000 0.462 7 G N -0.583 107.582 108.800 -1.059 0.000 2.205 7 G HA2 -0.390 3.569 3.960 -0.001 0.000 0.261 7 G HA3 -0.390 3.569 3.960 -0.001 0.000 0.261 7 G C -0.015 174.464 174.900 -0.702 0.000 0.980 7 G CA 0.939 45.657 45.100 -0.637 0.000 0.632 7 G HN 0.638 8.928 8.290 0.000 0.000 0.533 8 K N -1.130 118.626 120.400 -1.073 0.000 2.555 8 K HA 0.691 5.011 4.320 -0.001 0.000 0.279 8 K C -0.977 175.234 176.600 -0.648 0.000 0.986 8 K CA -1.332 54.553 56.287 -0.669 0.000 0.880 8 K CB 0.951 33.312 32.500 -0.232 0.000 1.474 8 K HN -0.003 8.247 8.250 0.000 0.000 0.433 9 F N 1.354 121.248 119.950 -0.093 0.000 2.443 9 F HA 0.401 4.928 4.527 -0.001 0.000 0.353 9 F C 0.541 176.360 175.800 0.031 0.000 1.101 9 F CA 0.103 58.138 58.000 0.059 0.000 1.226 9 F CB 0.990 40.045 39.000 0.092 0.000 1.140 9 F HN 0.327 8.627 8.300 0.000 0.000 0.557 10 R N 0.522 121.183 120.500 0.267 0.000 2.774 10 R HA 0.791 5.130 4.340 -0.001 0.000 0.272 10 R C -0.432 175.970 176.300 0.170 0.000 1.000 10 R CA -1.393 54.807 56.100 0.168 0.000 0.906 10 R CB 1.048 31.427 30.300 0.131 0.000 1.227 10 R HN 0.624 8.894 8.270 0.000 0.000 0.468 11 R N 0.554 121.119 120.500 0.109 0.000 2.543 11 R HA 0.484 4.823 4.340 -0.001 0.000 0.277 11 R C 0.442 176.801 176.300 0.098 0.000 1.074 11 R CA 0.380 56.535 56.100 0.092 0.000 1.076 11 R CB -0.065 30.266 30.300 0.052 0.000 0.993 11 R HN 0.794 9.064 8.270 0.000 0.000 0.459 12 A N 1.975 124.861 122.820 0.110 0.000 3.197 12 A HA 0.326 4.645 4.320 -0.001 0.000 0.263 12 A C 0.263 177.881 177.584 0.057 0.000 1.524 12 A CA 0.197 52.293 52.037 0.098 0.000 1.176 12 A CB -0.543 18.540 19.000 0.137 0.000 1.096 12 A HN 0.916 9.066 8.150 0.000 0.000 0.655 13 D N -0.448 119.974 120.400 0.038 0.000 2.628 13 D HA 0.113 4.753 4.640 -0.001 0.000 0.258 13 D C 0.574 176.874 176.300 0.000 0.000 1.165 13 D CA 0.669 54.681 54.000 0.020 0.000 0.991 13 D CB -0.116 40.694 40.800 0.018 0.000 1.104 13 D HN 0.380 8.750 8.370 0.000 0.000 0.438 14 E N -0.578 119.617 120.200 -0.007 0.000 2.359 14 E HA 0.614 4.963 4.350 -0.001 0.000 0.266 14 E C -1.024 175.554 176.600 -0.038 0.000 0.920 14 E CA -0.905 55.478 56.400 -0.029 0.000 0.788 14 E CB 3.070 32.753 29.700 -0.029 0.000 1.279 14 E HN 0.139 8.499 8.360 0.000 0.000 0.438 15 I N 0.614 121.142 120.570 -0.069 0.000 2.619 15 I HA 0.248 4.417 4.170 -0.001 0.000 0.292 15 I C -1.213 174.855 176.117 -0.083 0.000 1.100 15 I CA -0.303 60.945 61.300 -0.086 0.000 1.043 15 I CB 1.911 39.809 38.000 -0.171 0.000 1.239 15 I HN 0.321 8.531 8.210 0.000 0.000 0.420 16 S N 7.302 122.982 115.700 -0.033 0.000 2.462 16 S HA 0.701 5.171 4.470 -0.001 0.000 0.294 16 S C -0.635 173.980 174.600 0.024 0.000 1.144 16 S CA -0.510 57.680 58.200 -0.018 0.000 1.088 16 S CB 1.156 64.360 63.200 0.006 0.000 1.009 16 S HN 0.380 8.690 8.310 0.000 0.000 0.484 17 L N 1.816 123.045 121.223 0.010 0.000 2.354 17 L HA 0.483 4.823 4.340 -0.001 0.000 0.264 17 L C -0.368 176.558 176.870 0.094 0.000 1.008 17 L CA -1.153 53.729 54.840 0.070 0.000 0.819 17 L CB 1.642 43.715 42.059 0.024 0.000 1.339 17 L HN 0.481 8.711 8.230 0.000 0.000 0.420 18 D N 0.333 120.802 120.400 0.115 0.000 2.493 18 D HA -0.111 4.528 4.640 -0.001 0.000 0.240 18 D C 0.616 177.006 176.300 0.149 0.000 1.142 18 D CA 0.381 54.452 54.000 0.117 0.000 0.872 18 D CB 0.655 41.505 40.800 0.084 0.000 1.173 18 D HN 0.363 8.733 8.370 0.000 0.000 0.467 19 F N 3.266 123.254 119.950 0.063 0.000 2.134 19 F HA -0.183 4.344 4.527 0.000 0.000 0.299 19 F C 2.432 178.315 175.800 0.138 0.000 1.097 19 F CA 1.983 60.044 58.000 0.102 0.000 1.264 19 F CB -0.420 38.620 39.000 0.067 0.000 1.001 19 F HN 0.490 8.790 8.300 0.000 0.000 0.479 20 S N 0.406 116.128 115.700 0.036 0.000 2.402 20 S HA -0.202 4.267 4.470 -0.001 0.000 0.229 20 S C 2.166 176.695 174.600 -0.117 0.000 1.021 20 S CA 1.093 59.247 58.200 -0.076 0.000 0.974 20 S CB -1.167 62.065 63.200 0.053 0.000 0.800 20 S HN 0.588 8.898 8.310 0.000 0.000 0.484 21 L N 0.031 121.223 121.223 -0.051 0.000 2.012 21 L HA -0.014 4.326 4.340 -0.001 0.000 0.210 21 L C 2.360 179.166 176.870 -0.106 0.000 1.073 21 L CA 1.980 56.783 54.840 -0.062 0.000 0.748 21 L CB -0.568 41.486 42.059 -0.009 0.000 0.891 21 L HN 0.359 8.589 8.230 0.000 0.000 0.431 22 F N 0.972 120.773 119.950 -0.249 0.000 2.095 22 F HA -0.280 4.247 4.527 -0.001 0.000 0.298 22 F C 2.415 178.037 175.800 -0.298 0.000 1.104 22 F CA 2.257 60.091 58.000 -0.277 0.000 1.232 22 F CB -0.439 38.388 39.000 -0.288 0.000 0.987 22 F HN 0.216 8.516 8.300 0.000 0.000 0.475 23 E N 0.092 119.942 120.200 -0.585 0.000 2.085 23 E HA -0.295 4.055 4.350 -0.001 0.000 0.194 23 E C 2.272 178.646 176.600 -0.377 0.000 0.994 23 E CA 1.557 57.612 56.400 -0.575 0.000 0.801 23 E CB -0.207 29.204 29.700 -0.481 0.000 0.743 23 E HN 0.422 8.782 8.360 0.000 0.000 0.453 24 K N 0.102 120.348 120.400 -0.256 0.000 2.155 24 K HA -0.097 4.223 4.320 -0.001 0.000 0.203 24 K C 2.158 178.686 176.600 -0.120 0.000 1.052 24 K CA 1.235 57.432 56.287 -0.149 0.000 0.948 24 K CB -0.037 32.410 32.500 -0.089 0.000 0.728 24 K HN 0.100 8.350 8.250 0.000 0.000 0.448 25 S N 0.709 116.316 115.700 -0.155 0.000 2.419 25 S HA -0.109 4.360 4.470 -0.001 0.000 0.233 25 S C 1.835 176.375 174.600 -0.100 0.000 1.016 25 S CA 0.783 58.973 58.200 -0.016 0.000 0.974 25 S CB -0.487 62.685 63.200 -0.046 0.000 0.786 25 S HN 0.332 8.642 8.310 0.000 0.000 0.492 26 L N 0.614 121.670 121.223 -0.278 0.000 2.353 26 L HA -0.052 4.287 4.340 -0.001 0.000 0.220 26 L C 2.700 179.492 176.870 -0.131 0.000 1.133 26 L CA 1.035 55.723 54.840 -0.252 0.000 0.798 26 L CB -0.601 41.249 42.059 -0.347 0.000 0.922 26 L HN 0.458 8.688 8.230 0.000 0.000 0.445 27 Q N -0.028 119.715 119.800 -0.095 0.000 2.451 27 Q HA 0.169 4.509 4.340 -0.001 0.000 0.206 27 Q C 0.710 176.693 176.000 -0.029 0.000 0.947 27 Q CA 0.444 56.217 55.803 -0.049 0.000 0.937 27 Q CB 0.442 29.155 28.738 -0.041 0.000 1.025 27 Q HN 0.523 8.793 8.270 0.000 0.000 0.511 28 G N -0.043 108.737 108.800 -0.033 0.000 2.484 28 G HA2 0.182 4.142 3.960 -0.001 0.000 0.685 28 G HA3 0.182 4.142 3.960 -0.001 0.000 0.685 28 G C -1.523 173.329 174.900 -0.080 0.000 1.294 28 G CA -0.608 44.472 45.100 -0.032 0.000 0.879 28 G HN 0.244 8.534 8.290 0.000 0.000 0.646 29 A N 0.170 122.914 122.820 -0.126 0.000 2.374 29 A HA 0.905 5.224 4.320 -0.001 0.000 0.317 29 A C 0.215 177.775 177.584 -0.040 0.000 1.094 29 A CA -0.369 51.496 52.037 -0.287 0.000 0.765 29 A CB 1.910 20.502 19.000 -0.679 0.000 1.268 29 A HN 1.964 10.114 8.150 0.000 0.000 0.438 30 V N 2.428 122.291 119.914 -0.086 0.000 2.637 30 V HA 0.334 4.453 4.120 -0.001 0.000 0.296 30 V C -0.264 175.834 176.094 0.007 0.000 1.046 30 V CA 0.660 62.950 62.300 -0.016 0.000 1.066 30 V CB -0.092 31.722 31.823 -0.015 0.000 0.968 30 V HN 0.870 9.060 8.190 0.000 0.000 0.483 31 Y N 2.323 122.580 120.300 -0.072 0.000 2.581 31 Y HA 0.923 5.473 4.550 -0.001 0.000 0.345 31 Y C -0.690 175.124 175.900 -0.143 0.000 1.036 31 Y CA -1.480 56.527 58.100 -0.155 0.000 1.042 31 Y CB 1.960 40.335 38.460 -0.141 0.000 1.289 31 Y HN 0.518 8.798 8.280 0.000 0.000 0.471 32 E N 0.676 120.852 120.200 -0.039 0.000 2.372 32 E HA 0.528 4.877 4.350 -0.001 0.000 0.279 32 E C -1.609 174.957 176.600 -0.057 0.000 0.946 32 E CA -0.544 55.842 56.400 -0.024 0.000 0.769 32 E CB 2.117 31.799 29.700 -0.029 0.000 1.230 32 E HN 0.912 9.272 8.360 0.000 0.000 0.442 33 T N 0.991 115.515 114.554 -0.051 0.000 2.863 33 T HA 0.824 5.174 4.350 -0.001 0.000 0.285 33 T C -0.879 173.626 174.700 -0.324 0.000 1.009 33 T CA -0.668 61.349 62.100 -0.138 0.000 0.989 33 T CB 0.721 69.565 68.868 -0.040 0.000 1.004 33 T HN 0.234 8.474 8.240 0.000 0.000 0.455 34 L N 1.600 122.646 121.223 -0.296 0.000 2.327 34 L HA 0.831 5.171 4.340 -0.001 0.000 0.258 34 L C 0.085 176.892 176.870 -0.105 0.000 1.024 34 L CA -1.084 53.575 54.840 -0.303 0.000 0.825 34 L CB 2.320 44.230 42.059 -0.248 0.000 1.386 34 L HN 1.020 9.251 8.230 0.000 0.000 0.417 35 R N -1.571 118.922 120.500 -0.011 0.000 2.905 35 R HA 0.913 5.252 4.340 -0.001 0.000 0.260 35 R C -1.132 175.171 176.300 0.006 0.000 1.086 35 R CA -0.725 55.347 56.100 -0.046 0.000 0.978 35 R CB 1.583 31.810 30.300 -0.121 0.000 1.215 35 R HN 0.599 8.869 8.270 0.000 0.000 0.480 36 T N -1.493 113.021 114.554 -0.067 0.000 2.888 36 T HA 0.498 4.848 4.350 -0.001 0.000 0.284 36 T C -0.946 173.660 174.700 -0.156 0.000 1.017 36 T CA -0.621 61.501 62.100 0.036 0.000 1.022 36 T CB 0.895 69.807 68.868 0.074 0.000 1.013 36 T HN 0.447 8.687 8.240 0.000 0.000 0.465 37 Y N 0.604 121.052 120.300 0.246 0.000 2.341 37 Y HA 0.475 5.024 4.550 -0.001 0.000 0.338 37 Y C 1.114 177.134 175.900 0.201 0.000 0.965 37 Y CA -0.674 57.542 58.100 0.193 0.000 1.108 37 Y CB 1.910 40.496 38.460 0.209 0.000 1.180 37 Y HN 0.971 9.251 8.280 0.000 0.000 0.458 38 S N 2.165 118.006 115.700 0.236 0.000 3.533 38 S HA -0.331 4.138 4.470 -0.001 0.000 0.347 38 S C 0.750 175.425 174.600 0.126 0.000 1.101 38 S CA 1.224 59.510 58.200 0.142 0.000 1.009 38 S CB -1.152 62.109 63.200 0.102 0.000 0.916 38 S HN 0.887 9.197 8.310 0.000 0.000 0.496 39 R N -3.274 117.304 120.500 0.130 0.000 3.989 39 R HA -0.236 4.103 4.340 -0.001 0.000 0.377 39 R C 0.138 176.533 176.300 0.158 0.000 1.158 39 R CA 1.177 57.348 56.100 0.119 0.000 1.035 39 R CB -2.262 28.092 30.300 0.091 0.000 1.557 39 R HN 0.834 9.104 8.270 0.000 0.000 0.551 40 A N 1.637 124.601 122.820 0.241 0.000 2.274 40 A HA 0.559 4.879 4.320 -0.001 0.000 0.309 40 A C -2.153 175.706 177.584 0.459 0.000 1.226 40 A CA -1.640 50.598 52.037 0.335 0.000 0.853 40 A CB 0.472 19.681 19.000 0.350 0.000 1.146 40 A HN -0.066 8.084 8.150 0.000 0.000 0.518 41 P HA 0.077 4.497 4.420 0.000 0.000 0.267 41 P C -0.811 176.689 177.300 0.333 0.000 1.209 41 P CA 0.375 63.651 63.100 0.293 0.000 0.763 41 P CB 0.215 32.024 31.700 0.181 0.000 0.816 42 F N 3.930 123.942 119.950 0.103 0.000 2.394 42 F HA 0.462 4.989 4.527 -0.001 0.000 0.340 42 F C 0.893 176.691 175.800 -0.003 0.000 1.105 42 F CA -0.086 57.838 58.000 -0.126 0.000 1.124 42 F CB 0.783 39.845 39.000 0.103 0.000 1.145 42 F HN 0.648 8.948 8.300 0.000 0.000 0.505 43 A N 3.915 126.095 122.820 -1.066 0.000 2.783 43 A HA -0.202 4.117 4.320 -0.001 0.000 0.292 43 A C 1.534 179.116 177.584 -0.004 0.000 1.495 43 A CA 1.028 52.684 52.037 -0.634 0.000 0.787 43 A CB -2.364 16.250 19.000 -0.642 0.000 1.017 43 A HN 1.768 9.918 8.150 0.000 0.000 0.516 44 A N -0.925 121.987 122.820 0.153 0.000 1.883 44 A HA -0.044 4.276 4.320 -0.001 0.000 0.217 44 A C 1.787 179.742 177.584 0.619 0.000 1.186 44 A CA 2.222 54.547 52.037 0.480 0.000 0.624 44 A CB -0.654 18.635 19.000 0.482 0.000 0.822 44 A HN 1.757 9.907 8.150 0.000 0.000 0.444 45 Y N 0.673 121.145 120.300 0.287 0.000 2.181 45 Y HA -0.171 4.378 4.550 -0.001 0.000 0.288 45 Y C 2.261 178.106 175.900 -0.092 0.000 1.146 45 Y CA 2.153 60.148 58.100 -0.174 0.000 1.164 45 Y CB -0.277 37.881 38.460 -0.503 0.000 0.982 45 Y HN 0.291 8.571 8.280 0.000 0.000 0.515 46 K N -1.048 119.244 120.400 -0.181 0.000 2.063 46 K HA -0.213 4.106 4.320 -0.001 0.000 0.208 46 K C 1.996 178.430 176.600 -0.277 0.000 1.048 46 K CA 1.603 57.714 56.287 -0.293 0.000 0.928 46 K CB -0.367 31.949 32.500 -0.308 0.000 0.713 46 K HN 0.452 8.702 8.250 0.000 0.000 0.442 47 H N -1.068 117.980 119.070 -0.037 0.000 2.389 47 H HA -0.129 4.427 4.556 -0.001 0.000 0.299 47 H C 1.942 177.231 175.328 -0.067 0.000 1.081 47 H CA 1.318 57.373 56.048 0.012 0.000 1.345 47 H CB -0.211 29.642 29.762 0.152 0.000 1.393 47 H HN 0.258 8.538 8.280 0.000 0.000 0.520 48 Y N 1.997 122.221 120.300 -0.127 0.000 2.181 48 Y HA -0.256 4.293 4.550 -0.001 0.000 0.288 48 Y C 2.885 178.537 175.900 -0.415 0.000 1.146 48 Y CA 2.208 60.030 58.100 -0.462 0.000 1.164 48 Y CB -0.240 37.971 38.460 -0.415 0.000 0.982 48 Y HN 0.247 8.527 8.280 0.000 0.000 0.515 49 T N -1.900 112.421 114.554 -0.389 0.000 2.951 49 T HA -0.132 4.218 4.350 -0.001 0.000 0.268 49 T C 2.009 176.524 174.700 -0.308 0.000 1.073 49 T CA 1.236 63.094 62.100 -0.403 0.000 1.134 49 T CB -0.351 68.235 68.868 -0.470 0.000 0.884 49 T HN 0.331 8.571 8.240 0.000 0.000 0.479 50 R N -0.129 120.217 120.500 -0.258 0.000 2.073 50 R HA 0.150 4.490 4.340 -0.001 0.000 0.229 50 R C 2.350 178.524 176.300 -0.209 0.000 1.120 50 R CA 0.899 56.881 56.100 -0.197 0.000 0.967 50 R CB -0.593 29.618 30.300 -0.148 0.000 0.862 50 R HN 0.352 8.622 8.270 0.000 0.000 0.436 51 L N 1.582 122.657 121.223 -0.247 0.000 2.042 51 L HA -0.191 4.149 4.340 -0.001 0.000 0.210 51 L C 2.157 178.858 176.870 -0.282 0.000 1.076 51 L CA 1.966 56.643 54.840 -0.271 0.000 0.749 51 L CB -0.532 41.329 42.059 -0.330 0.000 0.893 51 L HN 0.136 8.366 8.230 0.000 0.000 0.432 52 K N -0.849 119.324 120.400 -0.378 0.000 2.103 52 K HA -0.248 4.072 4.320 -0.001 0.000 0.207 52 K C 2.403 178.902 176.600 -0.168 0.000 1.048 52 K CA 1.562 57.668 56.287 -0.302 0.000 0.930 52 K CB -0.190 32.099 32.500 -0.351 0.000 0.716 52 K HN 0.244 8.494 8.250 0.000 0.000 0.444 53 R N -0.125 120.277 120.500 -0.163 0.000 2.081 53 R HA -0.076 4.264 4.340 -0.001 0.000 0.235 53 R C 2.213 178.472 176.300 -0.068 0.000 1.131 53 R CA 1.900 57.935 56.100 -0.109 0.000 0.960 53 R CB -0.151 30.075 30.300 -0.124 0.000 0.856 53 R HN 0.134 8.404 8.270 0.000 0.000 0.436 54 S N -0.165 115.484 115.700 -0.084 0.000 2.387 54 S HA -0.028 4.442 4.470 -0.001 0.000 0.226 54 S C 1.807 176.473 174.600 0.109 0.000 1.026 54 S CA 0.880 59.062 58.200 -0.029 0.000 0.972 54 S CB 0.063 63.210 63.200 -0.089 0.000 0.814 54 S HN 0.527 8.837 8.310 0.000 0.000 0.477 55 A N 1.886 124.738 122.820 0.053 0.000 1.933 55 A HA -0.151 4.168 4.320 -0.001 0.000 0.218 55 A C 1.706 179.362 177.584 0.121 0.000 1.175 55 A CA 1.683 53.784 52.037 0.107 0.000 0.628 55 A CB -0.592 18.399 19.000 -0.014 0.000 0.814 55 A HN 0.340 8.490 8.150 0.000 0.000 0.444 56 D N -1.214 119.214 120.400 0.046 0.000 2.219 56 D HA -0.108 4.532 4.640 -0.001 0.000 0.205 56 D C 1.460 177.773 176.300 0.021 0.000 0.970 56 D CA 0.820 54.833 54.000 0.023 0.000 0.851 56 D CB -0.389 40.406 40.800 -0.009 0.000 0.943 56 D HN 0.493 8.863 8.370 0.000 0.000 0.488 57 F N 0.292 120.172 119.950 -0.116 0.000 2.216 57 F HA -0.151 4.375 4.527 -0.001 0.000 0.300 57 F C 1.338 176.944 175.800 -0.322 0.000 1.085 57 F CA 1.086 58.934 58.000 -0.253 0.000 1.326 57 F CB -0.187 38.581 39.000 -0.388 0.000 1.027 57 F HN -0.169 8.131 8.300 0.000 0.000 0.497 58 F N 0.734 120.639 119.950 -0.074 0.000 2.660 58 F HA 0.208 4.734 4.527 -0.001 0.000 0.302 58 F C 0.721 176.460 175.800 -0.102 0.000 1.103 58 F CA -0.228 57.696 58.000 -0.127 0.000 1.340 58 F CB -1.024 37.980 39.000 0.006 0.000 1.048 58 F HN -0.125 8.175 8.300 0.000 0.000 0.551 59 N N 1.391 120.104 118.700 0.022 0.000 2.714 59 N HA -0.214 4.525 4.740 -0.001 0.000 0.252 59 N C -0.780 174.762 175.510 0.053 0.000 1.014 59 N CA 0.408 53.467 53.050 0.014 0.000 0.735 59 N CB -1.165 37.312 38.487 -0.016 0.000 0.924 59 N HN 0.204 8.584 8.380 0.000 0.000 0.540 60 L N 0.719 121.990 121.223 0.081 0.000 2.276 60 L HA 0.569 4.909 4.340 -0.001 0.000 0.286 60 L C -2.201 174.692 176.870 0.038 0.000 1.024 60 L CA -1.814 53.069 54.840 0.071 0.000 0.826 60 L CB 1.165 43.283 42.059 0.099 0.000 1.211 60 L HN -0.101 8.129 8.230 0.000 0.000 0.422 61 P HA 0.229 4.649 4.420 0.000 0.000 0.278 61 P C -0.965 176.352 177.300 0.028 0.000 1.238 61 P CA -0.415 62.701 63.100 0.026 0.000 0.794 61 P CB 0.681 32.403 31.700 0.037 0.000 0.955 62 L N 2.130 123.358 121.223 0.009 0.000 2.361 62 L HA 0.070 4.410 4.340 -0.001 0.000 0.278 62 L C 1.626 178.553 176.870 0.096 0.000 1.113 62 L CA 0.773 55.625 54.840 0.020 0.000 0.849 62 L CB 0.103 42.115 42.059 -0.079 0.000 1.155 62 L HN 0.422 8.652 8.230 0.000 0.000 0.452 63 S N 3.200 118.971 115.700 0.119 0.000 2.474 63 S HA 0.051 4.520 4.470 -0.001 0.000 0.235 63 S C 0.616 175.320 174.600 0.173 0.000 0.997 63 S CA 0.381 58.664 58.200 0.138 0.000 0.949 63 S CB -0.302 62.984 63.200 0.144 0.000 0.766 63 S HN 0.402 8.712 8.310 0.000 0.000 0.517 64 L N 2.709 124.064 121.223 0.220 0.000 2.317 64 L HA 0.456 4.795 4.340 -0.001 0.000 0.281 64 L C 0.528 177.579 176.870 0.302 0.000 1.024 64 L CA -0.753 54.237 54.840 0.250 0.000 0.810 64 L CB 1.821 44.066 42.059 0.311 0.000 1.240 64 L HN 0.245 8.475 8.230 0.000 0.000 0.427 65 S N 1.431 117.259 115.700 0.213 0.000 2.608 65 S HA 0.086 4.555 4.470 -0.001 0.000 0.261 65 S C 0.929 175.539 174.600 0.016 0.000 1.314 65 S CA -0.374 57.933 58.200 0.179 0.000 0.992 65 S CB 0.646 63.911 63.200 0.110 0.000 0.935 65 S HN 0.543 8.853 8.310 0.000 0.000 0.564 66 F N 1.320 121.017 119.950 -0.421 0.000 2.126 66 F HA -0.113 4.414 4.527 -0.001 0.000 0.299 66 F C 1.956 177.663 175.800 -0.156 0.000 1.096 66 F CA 2.206 59.760 58.000 -0.744 0.000 1.255 66 F CB -0.879 37.769 39.000 -0.587 0.000 0.997 66 F HN 0.828 9.128 8.300 0.000 0.000 0.479 67 D N -0.152 120.116 120.400 -0.221 0.000 2.097 67 D HA -0.196 4.443 4.640 -0.001 0.000 0.195 67 D C 2.043 178.233 176.300 -0.182 0.000 0.989 67 D CA 1.861 55.719 54.000 -0.236 0.000 0.827 67 D CB -0.180 40.581 40.800 -0.065 0.000 0.966 67 D HN 0.525 8.895 8.370 0.000 0.000 0.456 68 E N -0.950 119.206 120.200 -0.072 0.000 2.110 68 E HA -0.148 4.201 4.350 -0.001 0.000 0.193 68 E C 1.892 178.455 176.600 -0.061 0.000 0.988 68 E CA 0.536 56.909 56.400 -0.044 0.000 0.804 68 E CB -0.274 29.441 29.700 0.025 0.000 0.745 68 E HN 0.353 8.713 8.360 0.000 0.000 0.458 69 F N 2.030 121.892 119.950 -0.147 0.000 2.069 69 F HA -0.272 4.255 4.527 -0.001 0.000 0.298 69 F C 2.671 178.389 175.800 -0.137 0.000 1.113 69 F CA 2.186 60.165 58.000 -0.036 0.000 1.214 69 F CB -0.726 38.327 39.000 0.087 0.000 0.978 69 F HN 0.011 8.311 8.300 0.000 0.000 0.474 70 T N -1.961 112.425 114.554 -0.279 0.000 2.833 70 T HA -0.189 4.160 4.350 -0.001 0.000 0.269 70 T C 1.952 176.525 174.700 -0.213 0.000 1.054 70 T CA 1.535 63.445 62.100 -0.317 0.000 1.135 70 T CB -0.564 68.055 68.868 -0.415 0.000 0.869 70 T HN 0.331 8.571 8.240 0.000 0.000 0.466 71 K N 0.654 120.938 120.400 -0.193 0.000 2.026 71 K HA -0.002 4.318 4.320 -0.001 0.000 0.208 71 K C 2.398 178.909 176.600 -0.148 0.000 1.048 71 K CA 1.356 57.564 56.287 -0.131 0.000 0.929 71 K CB -0.534 31.906 32.500 -0.099 0.000 0.713 71 K HN 0.212 8.462 8.250 0.000 0.000 0.439 72 V N 1.935 121.657 119.914 -0.320 0.000 2.343 72 V HA -0.242 3.878 4.120 -0.001 0.000 0.247 72 V C 2.226 178.220 176.094 -0.167 0.000 1.051 72 V CA 1.597 63.609 62.300 -0.480 0.000 1.036 72 V CB -0.456 30.540 31.823 -1.379 0.000 0.654 72 V HN 0.267 8.457 8.190 0.000 0.000 0.451 73 L N -0.580 120.528 121.223 -0.193 0.000 2.017 73 L HA -0.196 4.143 4.340 -0.001 0.000 0.208 73 L C 2.649 179.592 176.870 0.121 0.000 1.073 73 L CA 1.789 56.663 54.840 0.058 0.000 0.745 73 L CB -0.649 41.338 42.059 -0.120 0.000 0.894 73 L HN 0.264 8.494 8.230 0.000 0.000 0.432 74 K N 0.026 120.437 120.400 0.019 0.000 2.026 74 K HA -0.153 4.167 4.320 -0.001 0.000 0.208 74 K C 2.259 178.847 176.600 -0.021 0.000 1.048 74 K CA 1.395 57.696 56.287 0.023 0.000 0.929 74 K CB -0.319 32.185 32.500 0.006 0.000 0.713 74 K HN 0.278 8.528 8.250 0.000 0.000 0.439 75 A N 1.281 124.079 122.820 -0.036 0.000 1.883 75 A HA -0.143 4.177 4.320 -0.001 0.000 0.217 75 A C 2.430 179.781 177.584 -0.389 0.000 1.186 75 A CA 2.161 54.127 52.037 -0.118 0.000 0.624 75 A CB -1.249 17.792 19.000 0.068 0.000 0.822 75 A HN 0.458 8.608 8.150 0.000 0.000 0.444 76 G N -0.990 107.532 108.800 -0.464 0.000 2.403 76 G HA2 0.098 4.057 3.960 -0.001 0.000 0.216 76 G HA3 0.098 4.057 3.960 -0.001 0.000 0.216 76 G C 1.703 176.297 174.900 -0.510 0.000 1.154 76 G CA 1.261 45.733 45.100 -1.046 0.000 0.784 76 G HN 0.804 9.095 8.290 0.000 0.000 0.538 77 A N 1.075 123.815 122.820 -0.134 0.000 1.930 77 A HA -0.009 4.311 4.320 -0.001 0.000 0.217 77 A C 1.975 179.628 177.584 0.115 0.000 1.175 77 A CA 1.861 53.966 52.037 0.113 0.000 0.627 77 A CB -0.324 18.766 19.000 0.150 0.000 0.815 77 A HN 0.238 8.388 8.150 0.000 0.000 0.443 78 D N 0.072 120.466 120.400 -0.009 0.000 2.351 78 D HA -0.081 4.559 4.640 -0.001 0.000 0.216 78 D C 1.394 177.648 176.300 -0.077 0.000 0.968 78 D CA 0.774 54.754 54.000 -0.033 0.000 0.899 78 D CB -0.197 40.558 40.800 -0.074 0.000 0.907 78 D HN 0.651 9.021 8.370 0.000 0.000 0.514 79 E N -0.829 119.290 120.200 -0.134 0.000 2.489 79 E HA 0.024 4.374 4.350 -0.001 0.000 0.193 79 E C -0.082 176.289 176.600 -0.382 0.000 1.057 79 E CA 0.039 56.261 56.400 -0.295 0.000 0.866 79 E CB 0.308 29.717 29.700 -0.485 0.000 0.916 79 E HN 0.190 8.550 8.360 0.000 0.000 0.500 80 F N 0.019 119.914 119.950 -0.092 0.000 2.470 80 F HA 0.192 4.719 4.527 -0.001 0.000 0.329 80 F C 0.900 176.684 175.800 -0.027 0.000 1.072 80 F CA -0.884 57.092 58.000 -0.041 0.000 0.989 80 F CB 1.586 40.581 39.000 -0.009 0.000 1.193 80 F HN -0.509 7.791 8.300 0.000 0.000 0.481 81 K N 1.486 121.971 120.400 0.142 0.000 3.101 81 K HA 0.330 4.649 4.320 -0.001 0.000 0.229 81 K C -0.534 176.126 176.600 0.101 0.000 1.232 81 K CA -0.357 55.980 56.287 0.083 0.000 1.210 81 K CB -0.167 32.355 32.500 0.036 0.000 1.284 81 K HN 0.721 8.971 8.250 0.000 0.000 0.448 82 Q N -0.354 119.526 119.800 0.133 0.000 2.848 82 Q HA 0.101 4.440 4.340 -0.001 0.000 0.288 82 Q C -1.612 174.428 176.000 0.066 0.000 0.907 82 Q CA -0.623 55.237 55.803 0.096 0.000 0.792 82 Q CB 1.035 29.840 28.738 0.112 0.000 1.534 82 Q HN 0.249 8.519 8.270 0.000 0.000 0.419 83 E N 0.859 121.068 120.200 0.015 0.000 2.398 83 E HA 0.304 4.653 4.350 -0.001 0.000 0.263 83 E C -0.122 176.417 176.600 -0.101 0.000 1.046 83 E CA 0.116 56.494 56.400 -0.037 0.000 0.908 83 E CB 1.234 30.891 29.700 -0.071 0.000 0.963 83 E HN 0.435 8.795 8.360 0.000 0.000 0.431 84 V N -0.294 119.537 119.914 -0.139 0.000 2.864 84 V HA 0.564 4.683 4.120 -0.001 0.000 0.314 84 V C -0.016 175.990 176.094 -0.146 0.000 1.073 84 V CA -1.218 60.947 62.300 -0.225 0.000 0.956 84 V CB 2.099 33.685 31.823 -0.394 0.000 1.023 84 V HN 0.618 8.808 8.190 0.000 0.000 0.435 85 R N 2.544 122.956 120.500 -0.147 0.000 2.349 85 R HA 0.740 5.079 4.340 -0.001 0.000 0.299 85 R C -1.271 174.943 176.300 -0.145 0.000 1.027 85 R CA -0.610 55.419 56.100 -0.117 0.000 0.958 85 R CB 1.073 31.318 30.300 -0.091 0.000 1.047 85 R HN 0.877 9.147 8.270 0.000 0.000 0.468 86 I N 4.049 124.513 120.570 -0.178 0.000 2.447 86 I HA 0.321 4.491 4.170 -0.001 0.000 0.287 86 I C -0.552 175.404 176.117 -0.268 0.000 1.023 86 I CA -0.748 60.367 61.300 -0.308 0.000 1.083 86 I CB 2.100 39.878 38.000 -0.371 0.000 1.245 86 I HN 0.436 8.646 8.210 0.000 0.000 0.434 87 K N 5.074 125.307 120.400 -0.278 0.000 2.206 87 K HA 0.688 5.007 4.320 -0.001 0.000 0.264 87 K C -1.100 175.229 176.600 -0.452 0.000 0.967 87 K CA -0.648 55.423 56.287 -0.360 0.000 0.844 87 K CB 2.459 34.742 32.500 -0.362 0.000 1.099 87 K HN 0.293 8.543 8.250 0.000 0.000 0.441 88 V N 4.413 124.016 119.914 -0.518 0.000 2.409 88 V HA 0.345 4.464 4.120 -0.001 0.000 0.291 88 V C -1.236 174.559 176.094 -0.499 0.000 1.020 88 V CA -0.889 61.112 62.300 -0.497 0.000 0.848 88 V CB 0.590 32.205 31.823 -0.347 0.000 0.990 88 V HN 0.594 8.784 8.190 0.000 0.000 0.430 89 Y N 4.853 125.069 120.300 -0.141 0.000 2.364 89 Y HA 0.742 5.292 4.550 -0.000 0.000 0.340 89 Y C -0.324 175.444 175.900 -0.221 0.000 0.975 89 Y CA -0.959 57.025 58.100 -0.193 0.000 1.089 89 Y CB 1.959 40.276 38.460 -0.240 0.000 1.192 89 Y HN 0.527 8.807 8.280 0.000 0.000 0.454 90 L N 4.132 125.259 121.223 -0.162 0.000 2.356 90 L HA 0.644 4.984 4.340 -0.001 0.000 0.277 90 L C -1.857 174.869 176.870 -0.241 0.000 0.996 90 L CA -0.892 53.896 54.840 -0.087 0.000 0.822 90 L CB 0.619 42.644 42.059 -0.057 0.000 1.256 90 L HN 0.415 8.645 8.230 0.000 0.000 0.413 91 F N 6.013 126.008 119.950 0.075 0.000 2.404 91 F HA 0.554 5.081 4.527 -0.000 0.000 0.354 91 F C -1.836 173.924 175.800 -0.067 0.000 1.122 91 F CA -1.995 56.013 58.000 0.013 0.000 1.080 91 F CB 0.935 39.980 39.000 0.074 0.000 1.131 91 F HN 0.410 8.710 8.300 0.000 0.000 0.471 92 P HA 0.014 4.434 4.420 0.000 0.000 0.265 92 P C 0.032 177.304 177.300 -0.047 0.000 1.187 92 P CA 0.703 63.683 63.100 -0.200 0.000 0.766 92 P CB 0.561 31.925 31.700 -0.560 0.000 0.820 93 D N 0.134 120.521 120.400 -0.022 0.000 3.821 93 D HA -0.237 4.403 4.640 -0.001 0.000 0.204 93 D C 1.535 177.856 176.300 0.034 0.000 1.303 93 D CA 2.490 56.498 54.000 0.013 0.000 2.340 93 D CB -1.762 39.041 40.800 0.004 0.000 1.233 93 D HN 0.537 8.907 8.370 0.000 0.000 0.420 94 S N 0.834 116.566 115.700 0.052 0.000 2.423 94 S HA 0.158 4.628 4.470 -0.001 0.000 0.231 94 S C 1.916 176.562 174.600 0.078 0.000 1.014 94 S CA 2.541 60.774 58.200 0.055 0.000 0.965 94 S CB 0.170 63.397 63.200 0.046 0.000 0.785 94 S HN 1.337 9.647 8.310 0.000 0.000 0.495 95 G N 0.529 109.398 108.800 0.114 0.000 2.175 95 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.265 95 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.265 95 G C -0.083 174.919 174.900 0.169 0.000 0.979 95 G CA 0.567 45.741 45.100 0.122 0.000 0.663 95 G HN 0.724 9.014 8.290 0.000 0.000 0.533 96 E N -0.351 119.976 120.200 0.211 0.000 2.413 96 E HA 0.440 4.789 4.350 -0.001 0.000 0.263 96 E C 0.399 177.279 176.600 0.467 0.000 1.015 96 E CA 0.104 56.636 56.400 0.221 0.000 0.916 96 E CB 0.822 30.580 29.700 0.096 0.000 0.947 96 E HN 0.325 8.685 8.360 0.000 0.000 0.440 97 V N 4.922 125.102 119.914 0.444 0.000 2.555 97 V HA 0.438 4.557 4.120 -0.001 0.000 0.302 97 V C -0.869 175.687 176.094 0.770 0.000 1.038 97 V CA -0.981 61.623 62.300 0.508 0.000 0.887 97 V CB 1.432 33.486 31.823 0.385 0.000 0.991 97 V HN 0.525 8.715 8.190 0.000 0.000 0.434 98 L N 5.076 126.718 121.223 0.698 0.000 2.381 98 L HA 0.754 5.094 4.340 -0.001 0.000 0.274 98 L C -1.378 175.785 176.870 0.487 0.000 0.988 98 L CA 0.018 55.353 54.840 0.824 0.000 0.824 98 L CB 1.361 43.896 42.059 0.794 0.000 1.263 98 L HN 0.446 8.676 8.230 0.000 0.000 0.410 99 F N 4.459 124.706 119.950 0.495 0.000 2.443 99 F HA 0.702 5.229 4.527 -0.001 0.000 0.335 99 F C -0.114 175.820 175.800 0.224 0.000 1.104 99 F CA -0.800 57.329 58.000 0.215 0.000 1.013 99 F CB 2.092 41.187 39.000 0.157 0.000 1.136 99 F HN 0.126 8.426 8.300 0.000 0.000 0.470 100 V N 4.104 124.121 119.914 0.172 0.000 2.443 100 V HA 0.389 4.508 4.120 -0.001 0.000 0.293 100 V C -0.850 175.249 176.094 0.008 0.000 1.021 100 V CA -0.892 61.535 62.300 0.213 0.000 0.848 100 V CB 0.993 32.952 31.823 0.226 0.000 0.998 100 V HN 0.449 8.639 8.190 0.000 0.000 0.424 101 F N 2.958 123.045 119.950 0.229 0.000 2.420 101 F HA 0.765 5.291 4.527 -0.001 0.000 0.342 101 F C 0.690 176.492 175.800 0.004 0.000 1.113 101 F CA -0.279 57.768 58.000 0.078 0.000 1.059 101 F CB 2.060 41.155 39.000 0.160 0.000 1.128 101 F HN 0.554 8.854 8.300 0.000 0.000 0.475 102 S N 1.943 117.615 115.700 -0.047 0.000 2.556 102 S HA 0.668 5.138 4.470 -0.001 0.000 0.271 102 S C -3.335 171.133 174.600 -0.221 0.000 1.135 102 S CA -2.074 56.093 58.200 -0.055 0.000 0.858 102 S CB 2.155 65.378 63.200 0.040 0.000 1.114 102 S HN 0.147 8.457 8.310 0.000 0.000 0.468 103 P HA 0.188 4.608 4.420 0.000 0.000 0.263 103 P C -0.731 176.532 177.300 -0.062 0.000 1.195 103 P CA -0.286 62.769 63.100 -0.075 0.000 0.762 103 P CB 0.118 31.858 31.700 0.067 0.000 0.799 104 L N 5.194 126.368 121.223 -0.081 0.000 2.342 104 L HA 0.224 4.564 4.340 -0.001 0.000 0.285 104 L C -0.168 176.687 176.870 -0.025 0.000 1.095 104 L CA 0.330 55.135 54.840 -0.058 0.000 0.843 104 L CB -0.811 41.198 42.059 -0.083 0.000 1.201 104 L HN 0.217 8.447 8.230 0.000 0.000 0.445 105 N N 5.992 124.688 118.700 -0.007 0.000 2.485 105 N HA 0.270 5.010 4.740 -0.001 0.000 0.243 105 N C -0.924 174.597 175.510 0.019 0.000 0.987 105 N CA -0.304 52.752 53.050 0.010 0.000 0.940 105 N CB 1.711 40.209 38.487 0.017 0.000 1.122 105 N HN 0.467 8.847 8.380 0.000 0.000 0.509 106 I N 4.638 125.220 120.570 0.020 0.000 2.354 106 I HA 0.335 4.504 4.170 -0.001 0.000 0.286 106 I C -1.915 174.225 176.117 0.039 0.000 1.007 106 I CA -2.096 59.222 61.300 0.030 0.000 1.167 106 I CB 0.922 38.927 38.000 0.009 0.000 1.320 106 I HN 0.375 8.585 8.210 0.000 0.000 0.458 107 P HA 0.272 4.692 4.420 0.000 0.000 0.276 107 P C -1.086 176.238 177.300 0.040 0.000 1.252 107 P CA -0.409 62.724 63.100 0.054 0.000 0.802 107 P CB 0.619 32.365 31.700 0.078 0.000 1.035 108 D N 0.744 121.163 120.400 0.031 0.000 2.336 108 D HA 0.118 4.757 4.640 -0.001 0.000 0.249 108 D C 0.307 176.616 176.300 0.015 0.000 1.213 108 D CA -0.046 53.965 54.000 0.018 0.000 0.870 108 D CB 0.021 40.831 40.800 0.017 0.000 1.076 108 D HN 0.237 8.607 8.370 0.000 0.000 0.483 109 L N 3.300 124.521 121.223 -0.003 0.000 2.769 109 L HA 0.203 4.543 4.340 -0.001 0.000 0.240 109 L C 1.922 178.785 176.870 -0.012 0.000 1.163 109 L CA -0.222 54.605 54.840 -0.022 0.000 0.962 109 L CB 0.095 42.109 42.059 -0.074 0.000 1.258 109 L HN 0.462 8.692 8.230 0.000 0.000 0.513 110 E N 0.892 121.088 120.200 -0.007 0.000 2.114 110 E HA -0.255 4.095 4.350 -0.001 0.000 0.199 110 E C 1.495 178.131 176.600 0.060 0.000 1.008 110 E CA 2.128 58.524 56.400 -0.007 0.000 0.810 110 E CB 0.189 29.878 29.700 -0.019 0.000 0.739 110 E HN 0.486 8.846 8.360 0.000 0.000 0.456 111 T N -0.640 113.969 114.554 0.092 0.000 3.051 111 T HA 0.160 4.510 4.350 -0.001 0.000 0.269 111 T C 0.879 175.738 174.700 0.266 0.000 1.127 111 T CA 0.543 62.751 62.100 0.179 0.000 1.107 111 T CB -0.098 68.830 68.868 0.101 0.000 0.898 111 T HN 0.476 8.716 8.240 0.000 0.000 0.517 112 G N 0.797 109.708 108.800 0.184 0.000 2.690 112 G HA2 0.086 4.045 3.960 -0.001 0.000 0.686 112 G HA3 0.086 4.045 3.960 -0.001 0.000 0.686 112 G C -0.522 174.351 174.900 -0.045 0.000 1.277 112 G CA -0.666 44.506 45.100 0.120 0.000 0.799 112 G HN 1.108 9.398 8.290 0.000 0.000 0.613 113 V N -2.330 117.526 119.914 -0.097 0.000 3.103 113 V HA 0.959 5.079 4.120 -0.001 0.000 0.318 113 V C 0.172 176.245 176.094 -0.036 0.000 1.114 113 V CA -0.940 61.300 62.300 -0.101 0.000 1.020 113 V CB 1.991 33.639 31.823 -0.293 0.000 1.085 113 V HN 0.955 9.145 8.190 0.000 0.000 0.446 114 E N 1.095 121.314 120.200 0.031 0.000 2.191 114 E HA 0.655 5.005 4.350 -0.001 0.000 0.278 114 E C -0.774 175.883 176.600 0.096 0.000 0.972 114 E CA -0.693 55.736 56.400 0.047 0.000 0.804 114 E CB 2.177 31.902 29.700 0.042 0.000 1.110 114 E HN 0.915 9.275 8.360 0.000 0.000 0.394 115 V N -0.668 119.291 119.914 0.075 0.000 3.040 115 V HA 0.654 4.774 4.120 -0.001 0.000 0.312 115 V C -0.863 175.264 176.094 0.054 0.000 1.115 115 V CA -0.987 61.355 62.300 0.071 0.000 0.998 115 V CB 2.055 33.907 31.823 0.048 0.000 1.042 115 V HN 0.562 8.752 8.190 0.000 0.000 0.433 116 K N 2.087 122.516 120.400 0.049 0.000 2.385 116 K HA 0.655 4.974 4.320 -0.001 0.000 0.248 116 K C -1.277 175.357 176.600 0.056 0.000 0.955 116 K CA -0.992 55.332 56.287 0.061 0.000 0.816 116 K CB 2.259 34.797 32.500 0.063 0.000 1.250 116 K HN 0.587 8.837 8.250 0.000 0.000 0.434 117 I N 1.905 122.531 120.570 0.093 0.000 2.471 117 I HA 0.026 4.195 4.170 -0.001 0.000 0.286 117 I C 0.878 177.036 176.117 0.068 0.000 1.079 117 I CA 0.316 61.673 61.300 0.095 0.000 1.398 117 I CB 0.789 38.888 38.000 0.165 0.000 1.403 117 I HN 0.567 8.777 8.210 0.000 0.000 0.530 118 S N 4.584 120.311 115.700 0.044 0.000 2.585 118 S HA 0.050 4.519 4.470 -0.001 0.000 0.273 118 S C 1.164 175.788 174.600 0.039 0.000 1.339 118 S CA -0.373 57.847 58.200 0.034 0.000 1.028 118 S CB 0.431 63.641 63.200 0.017 0.000 0.906 118 S HN 0.601 8.911 8.310 0.000 0.000 0.528 119 N N 1.196 119.916 118.700 0.033 0.000 2.383 119 N HA 0.140 4.880 4.740 -0.001 0.000 0.192 119 N C -0.601 174.924 175.510 0.025 0.000 1.141 119 N CA 0.114 53.182 53.050 0.031 0.000 0.851 119 N CB 0.551 39.054 38.487 0.027 0.000 0.976 119 N HN 0.437 8.817 8.380 0.000 0.000 0.465 120 V N 2.005 121.933 119.914 0.022 0.000 2.357 120 V HA 0.449 4.568 4.120 -0.001 0.000 0.284 120 V C -0.114 175.989 176.094 0.016 0.000 1.018 120 V CA -1.064 61.246 62.300 0.017 0.000 0.841 120 V CB 1.288 33.119 31.823 0.013 0.000 0.991 120 V HN 0.243 8.433 8.190 0.000 0.000 0.437 121 R N 3.297 123.808 120.500 0.017 0.000 2.441 121 R HA 0.364 4.703 4.340 -0.001 0.000 0.284 121 R C 0.357 176.660 176.300 0.006 0.000 1.070 121 R CA -0.711 55.399 56.100 0.016 0.000 1.047 121 R CB 0.570 30.884 30.300 0.023 0.000 1.016 121 R HN 0.589 8.859 8.270 0.000 0.000 0.477 122 R N 3.049 123.547 120.500 -0.003 0.000 2.538 122 R HA 0.017 4.356 4.340 -0.001 0.000 0.282 122 R C 0.002 176.295 176.300 -0.012 0.000 1.009 122 R CA 0.064 56.156 56.100 -0.014 0.000 1.063 122 R CB 0.006 30.289 30.300 -0.029 0.000 0.945 122 R HN 0.551 8.821 8.270 0.000 0.000 0.414 123 I N 8.032 128.594 120.570 -0.014 0.000 2.752 123 I HA -0.052 4.117 4.170 -0.001 0.000 0.289 123 I C -1.374 174.731 176.117 -0.020 0.000 1.197 123 I CA -0.972 60.320 61.300 -0.013 0.000 1.432 123 I CB 0.459 38.451 38.000 -0.014 0.000 1.359 123 I HN 0.440 8.650 8.210 0.000 0.000 0.571 124 P HA -0.015 4.405 4.420 0.000 0.000 0.272 124 P C -0.007 177.278 177.300 -0.026 0.000 1.230 124 P CA -0.099 62.992 63.100 -0.015 0.000 0.788 124 P CB 0.771 32.469 31.700 -0.004 0.000 0.949 125 D N 0.978 121.359 120.400 -0.032 0.000 2.182 125 D HA -0.137 4.502 4.640 -0.001 0.000 0.201 125 D C 1.674 177.958 176.300 -0.027 0.000 0.986 125 D CA 1.089 55.065 54.000 -0.041 0.000 0.847 125 D CB -0.397 40.379 40.800 -0.040 0.000 0.942 125 D HN 0.262 8.632 8.370 0.000 0.000 0.467 126 L N -0.466 120.749 121.223 -0.014 0.000 2.456 126 L HA -0.035 4.305 4.340 -0.001 0.000 0.224 126 L C 1.899 178.769 176.870 -0.000 0.000 1.148 126 L CA 0.574 55.412 54.840 -0.004 0.000 0.825 126 L CB 0.016 42.075 42.059 0.000 0.000 0.937 126 L HN 0.042 8.272 8.230 0.000 0.000 0.450 127 S N -2.297 113.399 115.700 -0.006 0.000 2.599 127 S HA 0.152 4.621 4.470 -0.001 0.000 0.236 127 S C 0.459 175.056 174.600 -0.005 0.000 1.077 127 S CA 0.105 58.305 58.200 0.001 0.000 0.906 127 S CB 0.883 64.084 63.200 0.001 0.000 0.804 127 S HN 0.264 8.574 8.310 0.000 0.000 0.497 128 T N 2.642 117.176 114.554 -0.034 0.000 3.012 128 T HA 0.364 4.713 4.350 -0.001 0.000 0.330 128 T C -3.176 171.443 174.700 -0.136 0.000 1.321 128 T CA -1.054 61.001 62.100 -0.075 0.000 1.067 128 T CB 1.911 70.744 68.868 -0.059 0.000 1.235 128 T HN -0.200 8.040 8.240 0.000 0.000 0.479 129 P HA 0.199 4.619 4.420 0.000 0.000 0.267 129 P C -1.968 175.201 177.300 -0.218 0.000 1.205 129 P CA -1.063 61.872 63.100 -0.275 0.000 0.765 129 P CB 0.245 31.642 31.700 -0.505 0.000 0.828 130 P HA -0.137 4.283 4.420 0.000 0.000 0.220 130 P C 0.878 178.098 177.300 -0.134 0.000 1.148 130 P CA 1.368 64.394 63.100 -0.123 0.000 0.803 130 P CB -0.106 31.533 31.700 -0.102 0.000 0.782 131 A N -1.414 121.307 122.820 -0.166 0.000 2.275 131 A HA 0.115 4.434 4.320 -0.001 0.000 0.212 131 A C 0.743 178.205 177.584 -0.203 0.000 1.201 131 A CA -0.171 51.769 52.037 -0.163 0.000 0.843 131 A CB -0.916 17.993 19.000 -0.151 0.000 0.873 131 A HN 0.129 8.279 8.150 0.000 0.000 0.492 132 L N 1.047 122.119 121.223 -0.251 0.000 2.385 132 L HA 0.178 4.517 4.340 -0.001 0.000 0.281 132 L C 0.075 176.836 176.870 -0.182 0.000 1.106 132 L CA 0.336 55.011 54.840 -0.275 0.000 0.856 132 L CB 0.083 41.895 42.059 -0.412 0.000 1.186 132 L HN 0.100 8.330 8.230 0.000 0.000 0.453 133 K N 7.110 127.360 120.400 -0.250 0.000 2.142 133 K HA 0.292 4.611 4.320 -0.001 0.000 0.250 133 K C -0.582 175.846 176.600 -0.286 0.000 1.148 133 K CA -0.050 55.961 56.287 -0.460 0.000 1.040 133 K CB 0.248 32.190 32.500 -0.931 0.000 1.569 133 K HN 0.585 8.835 8.250 0.000 0.000 0.361 134 I N 1.360 121.985 120.570 0.091 0.000 2.433 134 I HA 0.033 4.203 4.170 -0.001 0.000 0.292 134 I C 1.453 177.776 176.117 0.343 0.000 1.001 134 I CA -0.281 61.154 61.300 0.225 0.000 1.119 134 I CB 1.746 39.863 38.000 0.194 0.000 1.289 134 I HN 0.518 8.728 8.210 0.000 0.000 0.438 135 T N 1.987 116.722 114.554 0.302 0.000 2.929 135 T HA -0.069 4.280 4.350 -0.001 0.000 0.271 135 T C 1.365 176.089 174.700 0.040 0.000 1.085 135 T CA 1.033 63.196 62.100 0.106 0.000 1.125 135 T CB -0.381 68.497 68.868 0.017 0.000 0.874 135 T HN 0.767 9.007 8.240 0.000 0.000 0.494 136 G N 1.833 110.667 108.800 0.056 0.000 3.088 136 G HA2 0.135 4.095 3.960 -0.001 0.000 0.217 136 G HA3 0.135 4.095 3.960 -0.001 0.000 0.217 136 G C 0.612 175.535 174.900 0.039 0.000 1.159 136 G CA -0.818 44.298 45.100 0.027 0.000 0.760 136 G HN 0.762 9.052 8.290 0.000 0.000 0.550 137 R N 0.973 121.511 120.500 0.063 0.000 2.480 137 R HA 0.113 4.453 4.340 -0.001 0.000 0.303 137 R C 1.083 177.402 176.300 0.033 0.000 0.985 137 R CA 0.856 56.986 56.100 0.051 0.000 1.051 137 R CB -0.102 30.232 30.300 0.057 0.000 0.935 137 R HN 0.052 8.322 8.270 0.000 0.000 0.410 138 T N -0.914 113.654 114.554 0.023 0.000 3.055 138 T HA -0.135 4.215 4.350 -0.001 0.000 0.265 138 T C 1.044 175.752 174.700 0.014 0.000 1.111 138 T CA 0.794 62.903 62.100 0.016 0.000 1.118 138 T CB -0.198 68.678 68.868 0.013 0.000 0.909 138 T HN 0.766 9.006 8.240 0.000 0.000 0.501 139 D N 2.386 122.794 120.400 0.014 0.000 2.097 139 D HA -0.121 4.519 4.640 -0.001 0.000 0.195 139 D C 2.005 178.313 176.300 0.014 0.000 0.989 139 D CA 0.752 54.758 54.000 0.011 0.000 0.827 139 D CB -0.535 40.268 40.800 0.005 0.000 0.966 139 D HN 0.353 8.723 8.370 0.000 0.000 0.456 140 I N 0.786 121.369 120.570 0.021 0.000 2.202 140 I HA -0.151 4.018 4.170 -0.001 0.000 0.242 140 I C 2.700 178.828 176.117 0.018 0.000 1.091 140 I CA 0.465 61.781 61.300 0.027 0.000 1.368 140 I CB -1.009 37.020 38.000 0.049 0.000 1.058 140 I HN -0.016 8.194 8.210 0.000 0.000 0.410 141 V N 1.246 121.168 119.914 0.012 0.000 2.287 141 V HA -0.268 3.851 4.120 -0.001 0.000 0.248 141 V C 2.601 178.697 176.094 0.005 0.000 1.053 141 V CA 1.703 64.004 62.300 0.002 0.000 1.027 141 V CB -0.535 31.287 31.823 -0.002 0.000 0.646 141 V HN 0.337 8.527 8.190 0.000 0.000 0.447 142 L N -0.407 120.821 121.223 0.008 0.000 2.179 142 L HA -0.026 4.314 4.340 -0.001 0.000 0.208 142 L C 2.648 179.525 176.870 0.012 0.000 1.096 142 L CA 1.159 56.005 54.840 0.009 0.000 0.779 142 L CB -0.694 41.371 42.059 0.010 0.000 0.922 142 L HN 0.344 8.574 8.230 0.000 0.000 0.443 143 A N -0.115 122.713 122.820 0.013 0.000 1.930 143 A HA -0.146 4.173 4.320 -0.001 0.000 0.217 143 A C 2.316 179.913 177.584 0.021 0.000 1.175 143 A CA 0.949 52.995 52.037 0.015 0.000 0.627 143 A CB -0.333 18.672 19.000 0.009 0.000 0.815 143 A HN 0.216 8.366 8.150 0.000 0.000 0.443 144 R N -0.172 120.343 120.500 0.025 0.000 2.139 144 R HA -0.100 4.240 4.340 -0.001 0.000 0.243 144 R C 1.699 178.010 176.300 0.018 0.000 1.145 144 R CA 1.088 57.207 56.100 0.031 0.000 0.976 144 R CB -0.464 29.845 30.300 0.016 0.000 0.866 144 R HN 0.457 8.727 8.270 0.000 0.000 0.449 145 R N 0.752 121.259 120.500 0.012 0.000 2.276 145 R HA -0.005 4.335 4.340 -0.001 0.000 0.203 145 R C 1.312 177.620 176.300 0.015 0.000 1.017 145 R CA 0.510 56.616 56.100 0.009 0.000 1.010 145 R CB -0.086 30.218 30.300 0.007 0.000 0.900 145 R HN 0.450 8.720 8.270 0.000 0.000 0.469 146 E N 0.610 120.822 120.200 0.020 0.000 2.489 146 E HA 0.114 4.464 4.350 -0.001 0.000 0.193 146 E C 0.106 176.723 176.600 0.029 0.000 1.057 146 E CA -0.059 56.355 56.400 0.024 0.000 0.866 146 E CB 0.192 29.907 29.700 0.025 0.000 0.916 146 E HN 0.227 8.587 8.360 0.000 0.000 0.500 147 I N 2.463 123.052 120.570 0.032 0.000 2.349 147 I HA 0.028 4.197 4.170 -0.001 0.000 0.302 147 I C -0.659 175.479 176.117 0.034 0.000 1.180 147 I CA -0.008 61.317 61.300 0.041 0.000 1.405 147 I CB 0.124 38.156 38.000 0.053 0.000 1.474 147 I HN -0.209 8.001 8.210 0.000 0.000 0.632 148 V N 5.001 124.937 119.914 0.038 0.000 2.524 148 V HA 0.260 4.380 4.120 -0.001 0.000 0.297 148 V C -0.321 175.798 176.094 0.042 0.000 1.035 148 V CA -0.566 61.755 62.300 0.034 0.000 0.867 148 V CB 1.556 33.395 31.823 0.027 0.000 1.004 148 V HN 0.701 8.891 8.190 0.000 0.000 0.426 149 D N 2.030 122.458 120.400 0.046 0.000 2.907 149 D HA -0.150 4.490 4.640 -0.001 0.000 0.226 149 D C -0.136 176.204 176.300 0.067 0.000 1.141 149 D CA 1.391 55.422 54.000 0.051 0.000 0.779 149 D CB -1.179 39.645 40.800 0.040 0.000 1.095 149 D HN 0.989 9.359 8.370 0.000 0.000 0.430 150 C N -4.071 115.280 119.300 0.086 0.000 3.320 150 C HA 0.645 5.104 4.460 -0.001 0.000 0.335 150 C C 1.239 176.337 174.990 0.180 0.000 1.430 150 C CA -1.101 57.991 59.018 0.123 0.000 1.271 150 C CB 0.692 28.492 27.740 0.100 0.000 1.609 150 C HN 0.039 8.269 8.230 0.000 0.000 0.457 151 Y N 1.278 121.628 120.300 0.084 0.000 2.231 151 Y HA 0.308 4.858 4.550 -0.000 0.000 0.294 151 Y C 0.878 176.901 175.900 0.204 0.000 1.120 151 Y CA 2.518 60.707 58.100 0.149 0.000 1.141 151 Y CB 0.087 38.630 38.460 0.138 0.000 1.022 151 Y HN 0.887 9.167 8.280 0.000 0.000 0.523 152 D N -1.257 119.232 120.400 0.149 0.000 2.615 152 D HA 0.381 5.021 4.640 -0.001 0.000 0.267 152 D C -1.629 174.649 176.300 -0.036 0.000 1.236 152 D CA -0.183 53.764 54.000 -0.089 0.000 0.839 152 D CB 2.063 42.523 40.800 -0.566 0.000 1.380 152 D HN -0.002 8.368 8.370 0.000 0.000 0.433 153 V N -0.891 118.982 119.914 -0.069 0.000 2.919 153 V HA 0.684 4.803 4.120 -0.001 0.000 0.316 153 V C -0.459 175.597 176.094 -0.064 0.000 1.077 153 V CA -0.790 61.491 62.300 -0.031 0.000 0.977 153 V CB 1.805 33.629 31.823 0.001 0.000 1.039 153 V HN 0.412 8.602 8.190 0.000 0.000 0.441 154 I N 3.600 124.149 120.570 -0.035 0.000 2.312 154 I HA 0.446 4.616 4.170 -0.001 0.000 0.290 154 I C -0.348 175.754 176.117 -0.025 0.000 1.008 154 I CA -0.671 60.602 61.300 -0.046 0.000 1.226 154 I CB 0.939 38.916 38.000 -0.037 0.000 1.371 154 I HN 0.541 8.751 8.210 0.000 0.000 0.468 155 L N 7.108 128.307 121.223 -0.040 0.000 2.290 155 L HA 0.406 4.746 4.340 -0.001 0.000 0.284 155 L C 0.259 177.112 176.870 -0.028 0.000 1.078 155 L CA 0.128 54.953 54.840 -0.024 0.000 0.815 155 L CB 0.645 42.687 42.059 -0.027 0.000 1.162 155 L HN 0.327 8.557 8.230 0.000 0.000 0.435 156 L N 1.843 123.065 121.223 -0.002 0.000 2.387 156 L HA 0.691 5.030 4.340 -0.001 0.000 0.266 156 L C 0.946 177.819 176.870 0.004 0.000 1.059 156 L CA -0.704 54.138 54.840 0.004 0.000 0.801 156 L CB 1.007 43.097 42.059 0.052 0.000 1.223 156 L HN 0.682 8.912 8.230 0.000 0.000 0.456 157 G N -0.076 108.726 108.800 0.003 0.000 2.547 157 G HA2 0.377 4.337 3.960 -0.001 0.000 0.291 157 G HA3 0.377 4.337 3.960 -0.001 0.000 0.291 157 G C 0.813 175.744 174.900 0.051 0.000 1.211 157 G CA -0.681 44.425 45.100 0.010 0.000 0.950 157 G HN 0.642 8.932 8.290 0.000 0.000 0.504 158 L N -0.390 120.860 121.223 0.046 0.000 2.189 158 L HA -0.180 4.159 4.340 -0.001 0.000 0.214 158 L C 2.217 179.143 176.870 0.093 0.000 1.097 158 L CA 1.367 56.241 54.840 0.058 0.000 0.764 158 L CB -0.194 41.890 42.059 0.042 0.000 0.900 158 L HN 0.551 8.781 8.230 0.000 0.000 0.436 159 N N -0.911 117.872 118.700 0.139 0.000 2.336 159 N HA 0.097 4.836 4.740 -0.001 0.000 0.189 159 N C 1.105 176.809 175.510 0.323 0.000 1.113 159 N CA 0.629 53.809 53.050 0.217 0.000 0.858 159 N CB 0.738 39.404 38.487 0.298 0.000 0.970 159 N HN 0.348 8.728 8.380 0.000 0.000 0.471 160 G N 0.590 109.557 108.800 0.277 0.000 2.176 160 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.232 160 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.232 160 G C -0.021 175.101 174.900 0.370 0.000 0.986 160 G CA -0.047 45.245 45.100 0.321 0.000 0.643 160 G HN 0.399 8.689 8.290 0.000 0.000 0.522 161 Q N 1.019 120.971 119.800 0.254 0.000 2.373 161 Q HA 0.517 4.856 4.340 -0.001 0.000 0.255 161 Q C 0.202 176.117 176.000 -0.142 0.000 0.980 161 Q CA -0.320 55.378 55.803 -0.176 0.000 0.882 161 Q CB 1.609 30.011 28.738 -0.560 0.000 1.249 161 Q HN 0.482 8.752 8.270 0.000 0.000 0.438 162 V N 2.912 122.692 119.914 -0.223 0.000 2.508 162 V HA 0.001 4.120 4.120 -0.001 0.000 0.281 162 V C 0.833 176.808 176.094 -0.199 0.000 1.041 162 V CA -0.365 61.828 62.300 -0.179 0.000 1.016 162 V CB 0.494 32.196 31.823 -0.201 0.000 0.984 162 V HN 1.010 9.200 8.190 0.000 0.000 0.478 163 C N 2.639 121.850 119.300 -0.148 0.000 2.508 163 C HA 0.341 4.800 4.460 -0.001 0.000 0.303 163 C C 0.777 175.679 174.990 -0.146 0.000 1.496 163 C CA 0.172 59.103 59.018 -0.146 0.000 2.041 163 C CB -0.112 27.564 27.740 -0.106 0.000 2.011 163 C HN 1.007 9.237 8.230 0.000 0.000 0.655 164 E N -0.067 120.062 120.200 -0.118 0.000 2.422 164 E HA 0.437 4.787 4.350 -0.001 0.000 0.280 164 E C -0.921 175.613 176.600 -0.109 0.000 1.091 164 E CA -0.426 55.905 56.400 -0.115 0.000 0.849 164 E CB 0.734 30.383 29.700 -0.086 0.000 1.353 164 E HN 0.277 8.637 8.360 0.000 0.000 0.449 165 G N -0.087 108.632 108.800 -0.135 0.000 2.580 165 G HA2 0.282 4.241 3.960 -0.001 0.000 0.278 165 G HA3 0.282 4.241 3.960 -0.001 0.000 0.278 165 G C 0.855 175.652 174.900 -0.171 0.000 1.212 165 G CA 0.051 45.039 45.100 -0.188 0.000 0.939 165 G HN 0.563 8.853 8.290 0.000 0.000 0.513 166 S N -1.040 114.547 115.700 -0.188 0.000 2.447 166 S HA -0.044 4.425 4.470 -0.001 0.000 0.233 166 S C 1.182 175.803 174.600 0.034 0.000 1.006 166 S CA 1.509 59.677 58.200 -0.052 0.000 0.957 166 S CB -0.332 62.879 63.200 0.018 0.000 0.773 166 S HN 1.042 9.352 8.310 0.000 0.000 0.507 167 F N 0.934 120.837 119.950 -0.079 0.000 2.859 167 F HA 0.627 5.154 4.527 -0.001 0.000 0.324 167 F C -0.165 175.597 175.800 -0.063 0.000 1.158 167 F CA -0.636 57.306 58.000 -0.097 0.000 1.147 167 F CB 0.022 38.902 39.000 -0.201 0.000 1.137 167 F HN 0.262 8.562 8.300 0.000 0.000 0.516 168 S N -0.595 115.008 115.700 -0.161 0.000 2.596 168 S HA 0.579 5.049 4.470 -0.001 0.000 0.270 168 S C -1.415 173.180 174.600 -0.010 0.000 1.155 168 S CA -0.948 57.234 58.200 -0.030 0.000 0.827 168 S CB 1.570 64.694 63.200 -0.126 0.000 1.130 168 S HN 0.234 8.544 8.310 0.000 0.000 0.467 169 N N -0.441 118.305 118.700 0.076 0.000 2.489 169 N HA 0.682 5.421 4.740 -0.001 0.000 0.284 169 N C -1.325 174.176 175.510 -0.015 0.000 1.158 169 N CA -0.743 52.308 53.050 0.002 0.000 0.965 169 N CB 1.561 40.066 38.487 0.030 0.000 1.195 169 N HN 0.507 8.887 8.380 0.000 0.000 0.506 170 V N 1.981 121.772 119.914 -0.205 0.000 2.495 170 V HA 0.512 4.631 4.120 -0.001 0.000 0.298 170 V C -1.001 174.779 176.094 -0.522 0.000 1.031 170 V CA -0.545 61.604 62.300 -0.250 0.000 0.871 170 V CB 0.514 32.197 31.823 -0.233 0.000 0.988 170 V HN 0.503 8.693 8.190 0.000 0.000 0.432 171 F N 4.955 124.571 119.950 -0.557 0.000 2.551 171 F HA 0.828 5.354 4.527 -0.001 0.000 0.316 171 F C -0.239 175.175 175.800 -0.644 0.000 1.089 171 F CA -0.820 56.753 58.000 -0.712 0.000 0.915 171 F CB 2.076 40.244 39.000 -1.387 0.000 1.186 171 F HN 0.429 8.729 8.300 0.000 0.000 0.456 172 L N 0.727 121.801 121.223 -0.250 0.000 2.309 172 L HA 0.998 5.338 4.340 -0.001 0.000 0.261 172 L C -1.469 175.356 176.870 -0.076 0.000 1.021 172 L CA -1.113 53.614 54.840 -0.187 0.000 0.823 172 L CB 1.733 43.697 42.059 -0.158 0.000 1.366 172 L HN 0.285 8.515 8.230 0.000 0.000 0.423 173 V N 1.027 120.921 119.914 -0.034 0.000 2.531 173 V HA 0.772 4.892 4.120 -0.001 0.000 0.301 173 V C -0.565 175.547 176.094 0.029 0.000 1.034 173 V CA -0.389 61.925 62.300 0.023 0.000 0.865 173 V CB 1.466 33.324 31.823 0.057 0.000 0.995 173 V HN 0.849 9.039 8.190 0.000 0.000 0.424 174 K N 2.851 123.272 120.400 0.033 0.000 2.565 174 K HA 0.492 4.811 4.320 -0.001 0.000 0.249 174 K C -0.136 176.490 176.600 0.043 0.000 0.958 174 K CA -0.360 55.955 56.287 0.047 0.000 0.806 174 K CB 1.128 33.654 32.500 0.044 0.000 1.194 174 K HN 0.685 8.935 8.250 0.000 0.000 0.434 175 E N 2.921 123.150 120.200 0.049 0.000 2.297 175 E HA -0.268 4.082 4.350 -0.001 0.000 0.228 175 E C 0.480 177.099 176.600 0.032 0.000 1.213 175 E CA 0.921 57.345 56.400 0.040 0.000 0.712 175 E CB -1.558 28.165 29.700 0.040 0.000 1.202 175 E HN 1.102 9.462 8.360 0.000 0.000 0.376 176 G N -0.135 108.684 108.800 0.031 0.000 2.189 176 G HA2 -0.395 3.564 3.960 -0.001 0.000 0.267 176 G HA3 -0.395 3.564 3.960 -0.001 0.000 0.267 176 G C 0.153 175.068 174.900 0.025 0.000 0.975 176 G CA 0.956 46.071 45.100 0.024 0.000 0.644 176 G HN 0.310 8.600 8.290 0.000 0.000 0.537 177 K N -0.281 120.136 120.400 0.028 0.000 2.159 177 K HA 0.638 4.958 4.320 -0.001 0.000 0.266 177 K C -0.465 176.157 176.600 0.038 0.000 0.975 177 K CA -1.020 55.283 56.287 0.027 0.000 0.865 177 K CB 2.247 34.758 32.500 0.018 0.000 1.087 177 K HN 0.096 8.346 8.250 0.000 0.000 0.446 178 L N 4.502 125.758 121.223 0.055 0.000 2.265 178 L HA 0.406 4.745 4.340 -0.001 0.000 0.288 178 L C -1.044 175.868 176.870 0.071 0.000 1.058 178 L CA -0.010 54.888 54.840 0.096 0.000 0.809 178 L CB 0.366 42.514 42.059 0.148 0.000 1.179 178 L HN 0.516 8.746 8.230 0.000 0.000 0.429 179 I N 4.224 124.809 120.570 0.025 0.000 2.509 179 I HA 0.544 4.714 4.170 -0.001 0.000 0.293 179 I C -0.181 175.825 176.117 -0.186 0.000 1.020 179 I CA -0.350 60.909 61.300 -0.069 0.000 1.088 179 I CB 2.200 40.147 38.000 -0.088 0.000 1.267 179 I HN 0.559 8.769 8.210 0.000 0.000 0.430 180 T N 5.668 120.052 114.554 -0.283 0.000 2.923 180 T HA 0.452 4.802 4.350 -0.001 0.000 0.311 180 T C -2.843 171.622 174.700 -0.391 0.000 1.183 180 T CA -1.685 60.103 62.100 -0.519 0.000 1.020 180 T CB 2.056 70.335 68.868 -0.982 0.000 1.165 180 T HN 0.113 8.353 8.240 0.000 0.000 0.482 181 P HA 0.125 4.545 4.420 0.000 0.000 0.262 181 P C -0.281 176.858 177.300 -0.268 0.000 1.182 181 P CA -0.002 62.905 63.100 -0.321 0.000 0.761 181 P CB 0.286 31.803 31.700 -0.305 0.000 0.795 182 S N 3.266 118.830 115.700 -0.227 0.000 2.589 182 S HA 0.114 4.584 4.470 -0.001 0.000 0.265 182 S C 1.402 175.908 174.600 -0.156 0.000 1.342 182 S CA -0.494 57.602 58.200 -0.173 0.000 1.005 182 S CB 0.087 63.195 63.200 -0.155 0.000 0.909 182 S HN 0.305 8.615 8.310 0.000 0.000 0.555 183 L N 0.202 121.352 121.223 -0.123 0.000 2.083 183 L HA -0.097 4.242 4.340 -0.001 0.000 0.209 183 L C 1.861 178.666 176.870 -0.108 0.000 1.083 183 L CA 1.283 56.057 54.840 -0.109 0.000 0.752 183 L CB -0.761 41.245 42.059 -0.088 0.000 0.899 183 L HN 0.635 8.865 8.230 0.000 0.000 0.433 184 D N -0.298 120.039 120.400 -0.105 0.000 2.309 184 D HA -0.124 4.516 4.640 -0.001 0.000 0.212 184 D C 2.220 178.449 176.300 -0.117 0.000 0.968 184 D CA 0.817 54.758 54.000 -0.099 0.000 0.882 184 D CB 0.064 40.810 40.800 -0.091 0.000 0.918 184 D HN 0.161 8.531 8.370 0.000 0.000 0.503 185 S N -0.726 114.885 115.700 -0.149 0.000 2.481 185 S HA 0.167 4.636 4.470 -0.001 0.000 0.231 185 S C 1.195 175.713 174.600 -0.137 0.000 0.996 185 S CA 0.662 58.757 58.200 -0.175 0.000 0.942 185 S CB 0.174 63.237 63.200 -0.230 0.000 0.768 185 S HN 0.455 8.765 8.310 0.000 0.000 0.520 186 G N 2.132 110.860 108.800 -0.120 0.000 2.884 186 G HA2 -0.153 3.807 3.960 -0.001 0.000 0.261 186 G HA3 -0.153 3.807 3.960 -0.001 0.000 0.261 186 G C -0.460 174.377 174.900 -0.105 0.000 1.025 186 G CA 0.012 45.050 45.100 -0.103 0.000 1.228 186 G HN 0.656 8.946 8.290 0.000 0.000 0.558 187 I N -1.456 119.050 120.570 -0.108 0.000 3.074 187 I HA 0.840 5.009 4.170 -0.001 0.000 0.310 187 I C -0.209 175.853 176.117 -0.091 0.000 1.153 187 I CA -1.997 59.242 61.300 -0.103 0.000 0.993 187 I CB 1.940 39.867 38.000 -0.122 0.000 1.237 187 I HN 0.103 8.313 8.210 0.000 0.000 0.443 188 L N 3.923 125.103 121.223 -0.072 0.000 2.268 188 L HA 0.300 4.640 4.340 -0.001 0.000 0.289 188 L C -0.699 176.145 176.870 -0.044 0.000 1.064 188 L CA -0.455 54.350 54.840 -0.059 0.000 0.824 188 L CB 0.189 42.233 42.059 -0.025 0.000 1.202 188 L HN 0.577 8.807 8.230 0.000 0.000 0.433 189 D N 2.856 123.224 120.400 -0.053 0.000 2.280 189 D HA 0.303 4.942 4.640 -0.001 0.000 0.243 189 D C 0.261 176.562 176.300 0.002 0.000 1.129 189 D CA -0.378 53.603 54.000 -0.031 0.000 0.848 189 D CB 1.882 42.654 40.800 -0.047 0.000 1.107 189 D HN 0.427 8.797 8.370 0.000 0.000 0.471 190 G N 1.481 110.314 108.800 0.054 0.000 2.451 190 G HA2 0.356 4.315 3.960 -0.001 0.000 0.303 190 G HA3 0.356 4.315 3.960 -0.001 0.000 0.303 190 G C 1.039 175.996 174.900 0.095 0.000 1.166 190 G CA -0.868 44.294 45.100 0.103 0.000 0.884 190 G HN 0.548 8.838 8.290 0.000 0.000 0.514 191 I N 0.241 120.855 120.570 0.074 0.000 2.394 191 I HA -0.160 4.010 4.170 -0.001 0.000 0.251 191 I C 2.834 179.046 176.117 0.158 0.000 1.136 191 I CA 1.208 62.519 61.300 0.018 0.000 1.425 191 I CB -0.012 37.856 38.000 -0.219 0.000 1.079 191 I HN 0.489 8.699 8.210 0.000 0.000 0.425 192 T N 0.242 114.948 114.554 0.254 0.000 2.833 192 T HA -0.213 4.137 4.350 -0.001 0.000 0.269 192 T C 1.970 176.860 174.700 0.317 0.000 1.054 192 T CA 1.149 63.450 62.100 0.336 0.000 1.135 192 T CB -0.288 68.764 68.868 0.306 0.000 0.869 192 T HN 0.361 8.601 8.240 0.000 0.000 0.466 193 R N 1.336 122.018 120.500 0.303 0.000 2.070 193 R HA -0.149 4.190 4.340 -0.001 0.000 0.233 193 R C 2.525 179.027 176.300 0.335 0.000 1.137 193 R CA 1.890 58.233 56.100 0.405 0.000 0.945 193 R CB -0.309 30.161 30.300 0.285 0.000 0.845 193 R HN 0.545 8.815 8.270 0.000 0.000 0.430 194 E N 0.186 120.511 120.200 0.208 0.000 2.085 194 E HA -0.241 4.109 4.350 -0.001 0.000 0.194 194 E C 1.377 178.083 176.600 0.176 0.000 0.994 194 E CA 1.446 57.937 56.400 0.152 0.000 0.801 194 E CB -0.166 29.581 29.700 0.078 0.000 0.743 194 E HN 0.383 8.743 8.360 0.000 0.000 0.453 195 N N 0.416 119.245 118.700 0.214 0.000 2.142 195 N HA -0.117 4.623 4.740 -0.001 0.000 0.186 195 N C 1.984 177.650 175.510 0.260 0.000 1.023 195 N CA 1.226 54.433 53.050 0.262 0.000 0.852 195 N CB -0.227 38.440 38.487 0.300 0.000 0.998 195 N HN 0.088 8.468 8.380 0.000 0.000 0.424 196 V N 1.639 121.701 119.914 0.245 0.000 2.427 196 V HA -0.130 3.990 4.120 -0.001 0.000 0.248 196 V C 2.258 178.373 176.094 0.034 0.000 1.051 196 V CA 0.983 63.341 62.300 0.096 0.000 1.048 196 V CB -0.304 31.461 31.823 -0.096 0.000 0.666 196 V HN 0.207 8.397 8.190 0.000 0.000 0.456 197 I N -0.317 120.337 120.570 0.141 0.000 2.179 197 I HA -0.274 3.896 4.170 -0.001 0.000 0.242 197 I C 2.544 178.695 176.117 0.058 0.000 1.088 197 I CA 1.706 63.092 61.300 0.142 0.000 1.357 197 I CB -0.408 37.702 38.000 0.183 0.000 1.051 197 I HN 0.260 8.470 8.210 0.000 0.000 0.409 198 K N 0.242 120.689 120.400 0.079 0.000 2.057 198 K HA -0.204 4.115 4.320 -0.001 0.000 0.207 198 K C 2.086 178.592 176.600 -0.158 0.000 1.049 198 K CA 1.221 57.554 56.287 0.077 0.000 0.931 198 K CB -0.338 32.309 32.500 0.245 0.000 0.714 198 K HN 0.134 8.384 8.250 0.000 0.000 0.440 199 L N 1.388 122.366 121.223 -0.409 0.000 2.012 199 L HA -0.182 4.158 4.340 -0.001 0.000 0.210 199 L C 2.243 178.837 176.870 -0.460 0.000 1.073 199 L CA 2.012 56.289 54.840 -0.938 0.000 0.748 199 L CB -0.846 40.819 42.059 -0.658 0.000 0.891 199 L HN 0.142 8.372 8.230 0.000 0.000 0.431 200 A N -0.563 122.122 122.820 -0.225 0.000 1.883 200 A HA -0.283 4.036 4.320 -0.001 0.000 0.217 200 A C 2.352 179.876 177.584 -0.100 0.000 1.186 200 A CA 2.266 54.229 52.037 -0.124 0.000 0.624 200 A CB -0.621 18.358 19.000 -0.035 0.000 0.822 200 A HN 0.545 8.695 8.150 0.000 0.000 0.444 201 K N 0.197 120.551 120.400 -0.076 0.000 2.097 201 K HA -0.134 4.185 4.320 -0.001 0.000 0.206 201 K C 2.390 178.960 176.600 -0.050 0.000 1.049 201 K CA 1.607 57.871 56.287 -0.039 0.000 0.933 201 K CB -0.221 32.276 32.500 -0.004 0.000 0.717 201 K HN 0.677 8.927 8.250 0.000 0.000 0.442 202 S N 0.864 116.504 115.700 -0.100 0.000 2.423 202 S HA -0.077 4.393 4.470 -0.001 0.000 0.231 202 S C 1.659 176.214 174.600 -0.075 0.000 1.014 202 S CA 0.821 58.980 58.200 -0.068 0.000 0.965 202 S CB -0.259 62.890 63.200 -0.086 0.000 0.785 202 S HN 0.218 8.528 8.310 0.000 0.000 0.495 203 L N 0.813 121.968 121.223 -0.114 0.000 2.611 203 L HA 0.337 4.677 4.340 -0.001 0.000 0.229 203 L C 0.424 177.263 176.870 -0.050 0.000 1.137 203 L CA 0.061 54.852 54.840 -0.082 0.000 0.901 203 L CB -0.684 41.311 42.059 -0.107 0.000 1.098 203 L HN 0.266 8.496 8.230 0.000 0.000 0.456 204 E N 0.279 120.455 120.200 -0.040 0.000 2.586 204 E HA -0.231 4.119 4.350 -0.001 0.000 0.259 204 E C -0.032 176.557 176.600 -0.019 0.000 1.107 204 E CA 0.275 56.662 56.400 -0.022 0.000 0.754 204 E CB -1.282 28.410 29.700 -0.014 0.000 1.335 204 E HN 0.479 8.839 8.360 0.000 0.000 0.411 205 I N 1.268 121.823 120.570 -0.025 0.000 2.371 205 I HA 0.190 4.360 4.170 -0.001 0.000 0.290 205 I C -1.885 174.232 176.117 0.000 0.000 1.028 205 I CA -2.109 59.183 61.300 -0.013 0.000 1.345 205 I CB 0.481 38.471 38.000 -0.018 0.000 1.407 205 I HN -0.199 8.011 8.210 0.000 0.000 0.501 206 P HA 0.092 4.512 4.420 0.000 0.000 0.268 206 P C -0.843 176.470 177.300 0.022 0.000 1.204 206 P CA -0.040 63.067 63.100 0.012 0.000 0.768 206 P CB 0.639 32.346 31.700 0.011 0.000 0.842 207 V N 3.715 123.643 119.914 0.023 0.000 2.540 207 V HA 0.337 4.457 4.120 -0.001 0.000 0.302 207 V C 0.064 176.166 176.094 0.012 0.000 1.035 207 V CA -0.469 61.852 62.300 0.035 0.000 0.873 207 V CB 1.781 33.636 31.823 0.052 0.000 0.992 207 V HN 0.477 8.667 8.190 0.000 0.000 0.428 208 E N 3.137 123.336 120.200 -0.002 0.000 2.216 208 E HA 0.424 4.773 4.350 -0.001 0.000 0.260 208 E C -1.105 175.456 176.600 -0.065 0.000 0.880 208 E CA -0.497 55.884 56.400 -0.032 0.000 0.765 208 E CB 2.266 31.942 29.700 -0.039 0.000 1.174 208 E HN 0.669 9.029 8.360 0.000 0.000 0.417 209 E N 4.144 124.301 120.200 -0.072 0.000 2.055 209 E HA 0.300 4.650 4.350 -0.001 0.000 0.274 209 E C -0.270 176.257 176.600 -0.121 0.000 0.949 209 E CA -0.340 55.994 56.400 -0.111 0.000 0.775 209 E CB 0.849 30.496 29.700 -0.089 0.000 1.097 209 E HN 0.431 8.791 8.360 0.000 0.000 0.404 210 R N -0.238 120.163 120.500 -0.164 0.000 2.781 210 R HA 0.485 4.825 4.340 -0.001 0.000 0.268 210 R C -1.109 175.035 176.300 -0.260 0.000 1.047 210 R CA -0.977 55.018 56.100 -0.176 0.000 0.925 210 R CB 0.491 30.705 30.300 -0.143 0.000 1.246 210 R HN 0.078 8.348 8.270 0.000 0.000 0.456 211 V N 1.679 121.409 119.914 -0.307 0.000 2.529 211 V HA 0.186 4.305 4.120 -0.001 0.000 0.292 211 V C -0.307 175.405 176.094 -0.637 0.000 1.028 211 V CA -0.096 61.900 62.300 -0.507 0.000 1.074 211 V CB 1.108 32.587 31.823 -0.573 0.000 0.958 211 V HN 0.418 8.608 8.190 0.000 0.000 0.481 212 V N 5.336 124.841 119.914 -0.683 0.000 2.409 212 V HA 0.382 4.502 4.120 -0.001 0.000 0.291 212 V C -0.447 175.203 176.094 -0.739 0.000 1.020 212 V CA -0.878 61.065 62.300 -0.595 0.000 0.848 212 V CB 1.407 32.997 31.823 -0.388 0.000 0.990 212 V HN 0.892 9.082 8.190 0.000 0.000 0.430 213 W N 2.928 123.916 121.300 -0.520 0.000 2.251 213 W HA 0.409 5.069 4.660 -0.001 0.000 0.329 213 W C 1.462 177.533 176.519 -0.747 0.000 1.234 213 W CA -0.259 56.582 57.345 -0.841 0.000 1.228 213 W CB 1.192 29.614 29.460 -1.731 0.000 1.135 213 W HN 0.402 8.582 8.180 0.000 0.000 0.576 214 V N 4.189 124.004 119.914 -0.165 0.000 2.324 214 V HA -0.313 3.806 4.120 -0.001 0.000 0.250 214 V C 1.702 177.916 176.094 0.200 0.000 1.060 214 V CA 2.542 64.880 62.300 0.063 0.000 1.042 214 V CB -0.610 31.351 31.823 0.230 0.000 0.650 214 V HN 0.806 8.996 8.190 0.000 0.000 0.450 215 W N 0.613 122.064 121.300 0.251 0.000 2.421 215 W HA -0.091 4.569 4.660 -0.001 0.000 0.270 215 W C 1.864 178.524 176.519 0.235 0.000 1.233 215 W CA 1.101 58.584 57.345 0.231 0.000 1.226 215 W CB -0.913 28.600 29.460 0.088 0.000 1.121 215 W HN 0.288 8.468 8.180 0.000 0.000 0.579 216 E N 1.223 121.372 120.200 -0.086 0.000 2.204 216 E HA -0.174 4.175 4.350 -0.001 0.000 0.195 216 E C 2.180 178.809 176.600 0.048 0.000 0.990 216 E CA 1.451 57.847 56.400 -0.007 0.000 0.821 216 E CB -0.484 29.133 29.700 -0.138 0.000 0.750 216 E HN 0.426 8.786 8.360 0.000 0.000 0.477 217 L N -0.154 121.087 121.223 0.029 0.000 2.083 217 L HA -0.164 4.176 4.340 -0.001 0.000 0.209 217 L C 2.071 178.904 176.870 -0.062 0.000 1.083 217 L CA 1.105 55.924 54.840 -0.035 0.000 0.752 217 L CB -0.358 41.624 42.059 -0.129 0.000 0.899 217 L HN 0.113 8.343 8.230 0.000 0.000 0.433 218 F N 0.011 119.940 119.950 -0.036 0.000 2.502 218 F HA -0.084 4.443 4.527 -0.001 0.000 0.298 218 F C 2.076 177.723 175.800 -0.255 0.000 1.111 218 F CA 0.821 58.637 58.000 -0.308 0.000 1.445 218 F CB -0.074 38.808 39.000 -0.198 0.000 1.081 218 F HN 0.116 8.416 8.300 0.000 0.000 0.558 219 E N -0.154 120.133 120.200 0.146 0.000 2.498 219 E HA 0.287 4.636 4.350 -0.001 0.000 0.203 219 E C 0.747 177.468 176.600 0.202 0.000 1.013 219 E CA -0.192 56.315 56.400 0.179 0.000 0.927 219 E CB 0.347 30.164 29.700 0.196 0.000 1.012 219 E HN 0.167 8.527 8.360 0.000 0.000 0.482 220 A N 1.473 124.432 122.820 0.231 0.000 2.425 220 A HA 0.005 4.324 4.320 -0.001 0.000 0.242 220 A C 0.605 178.374 177.584 0.308 0.000 1.077 220 A CA -0.141 52.024 52.037 0.214 0.000 0.781 220 A CB 0.357 19.427 19.000 0.118 0.000 1.020 220 A HN -0.035 8.115 8.150 0.000 0.000 0.494 221 D N 0.371 120.886 120.400 0.192 0.000 2.194 221 D HA 0.045 4.684 4.640 -0.001 0.000 0.204 221 D C 0.521 176.936 176.300 0.192 0.000 0.964 221 D CA 1.350 55.472 54.000 0.204 0.000 0.846 221 D CB 0.316 41.190 40.800 0.124 0.000 0.962 221 D HN 0.780 9.150 8.370 0.000 0.000 0.490 225 L N 1.726 123.128 121.223 0.299 0.000 2.330 225 L HA 0.884 5.224 4.340 -0.001 0.000 0.271 225 L C -0.231 176.867 176.870 0.379 0.000 1.013 225 L CA -0.919 54.074 54.840 0.256 0.000 0.816 225 L CB 2.337 44.514 42.059 0.196 0.000 1.287 225 L HN 0.920 9.150 8.230 0.000 0.000 0.435 226 T N -1.742 113.028 114.554 0.360 0.000 2.841 226 T HA 0.756 5.105 4.350 -0.001 0.000 0.283 226 T C -0.821 174.100 174.700 0.368 0.000 1.000 226 T CA -0.755 61.526 62.100 0.301 0.000 0.977 226 T CB 1.594 70.655 68.868 0.320 0.000 0.979 226 T HN 0.890 9.130 8.240 0.000 0.000 0.446 227 H N -1.526 117.659 119.070 0.193 0.000 3.003 227 H HA 0.529 5.084 4.556 -0.001 0.000 0.327 227 H C 0.639 176.093 175.328 0.209 0.000 1.353 227 H CA -0.874 55.312 56.048 0.229 0.000 1.142 227 H CB 0.578 30.528 29.762 0.314 0.000 1.864 227 H HN 0.312 8.592 8.280 0.000 0.000 0.529 228 T N 0.307 115.035 114.554 0.290 0.000 2.684 228 T HA -0.248 4.102 4.350 -0.001 0.000 0.267 228 T C 2.086 176.848 174.700 0.104 0.000 1.036 228 T CA 2.618 64.856 62.100 0.229 0.000 1.148 228 T CB -0.562 68.455 68.868 0.249 0.000 0.863 228 T HN 0.727 8.967 8.240 0.000 0.000 0.436 229 S N 1.203 116.960 115.700 0.094 0.000 2.402 229 S HA 0.142 4.612 4.470 -0.001 0.000 0.229 229 S C 2.068 176.614 174.600 -0.089 0.000 1.021 229 S CA 0.881 59.091 58.200 0.017 0.000 0.974 229 S CB -0.232 63.024 63.200 0.093 0.000 0.800 229 S HN 0.490 8.800 8.310 0.000 0.000 0.484 230 A N 0.222 122.851 122.820 -0.317 0.000 2.324 230 A HA 0.655 4.975 4.320 -0.001 0.000 0.220 230 A C 1.566 178.972 177.584 -0.297 0.000 1.209 230 A CA 0.676 52.545 52.037 -0.279 0.000 0.918 230 A CB -0.580 18.268 19.000 -0.253 0.000 0.959 230 A HN 1.412 9.562 8.150 0.000 0.000 0.507 231 G N -0.677 107.922 108.800 -0.336 0.000 2.559 231 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.282 231 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.282 231 G C 0.056 174.638 174.900 -0.531 0.000 1.177 231 G CA 0.097 44.876 45.100 -0.536 0.000 0.960 231 G HN 0.958 9.248 8.290 0.000 0.000 0.540 232 V N 1.209 120.730 119.914 -0.654 0.000 2.383 232 V HA 0.558 4.677 4.120 -0.001 0.000 0.275 232 V C 0.319 176.247 176.094 -0.277 0.000 1.036 232 V CA -0.353 61.668 62.300 -0.465 0.000 0.889 232 V CB 1.330 32.730 31.823 -0.704 0.000 0.985 232 V HN 0.844 9.034 8.190 0.000 0.000 0.459 233 V N 7.975 127.835 119.914 -0.089 0.000 2.349 233 V HA 0.360 4.479 4.120 -0.001 0.000 0.284 233 V C -2.370 173.738 176.094 0.024 0.000 1.014 233 V CA -1.967 60.300 62.300 -0.055 0.000 0.826 233 V CB 1.725 33.534 31.823 -0.023 0.000 1.009 233 V HN 0.715 8.905 8.190 0.000 0.000 0.431 234 P HA 0.174 4.594 4.420 0.000 0.000 0.271 234 P C -0.490 176.896 177.300 0.143 0.000 1.216 234 P CA -0.019 63.166 63.100 0.141 0.000 0.776 234 P CB 0.874 32.688 31.700 0.190 0.000 0.881 235 V N 5.129 125.125 119.914 0.137 0.000 2.350 235 V HA 0.210 4.330 4.120 -0.001 0.000 0.276 235 V C 1.822 177.910 176.094 -0.010 0.000 1.028 235 V CA -0.224 62.098 62.300 0.036 0.000 0.860 235 V CB 0.775 32.594 31.823 -0.006 0.000 0.990 235 V HN 0.592 8.782 8.190 0.000 0.000 0.453 236 R N 4.269 124.601 120.500 -0.280 0.000 2.210 236 R HA 0.230 4.569 4.340 -0.001 0.000 0.203 236 R C 0.890 177.062 176.300 -0.215 0.000 1.010 236 R CA 0.180 55.794 56.100 -0.809 0.000 1.008 236 R CB 0.624 30.317 30.300 -1.011 0.000 0.923 236 R HN 0.522 8.792 8.270 0.000 0.000 0.469 237 R N 0.511 121.010 120.500 -0.001 0.000 2.535 237 R HA 0.297 4.637 4.340 -0.001 0.000 0.274 237 R C -2.168 174.181 176.300 0.082 0.000 1.090 237 R CA -0.790 55.315 56.100 0.008 0.000 0.930 237 R CB 1.749 32.008 30.300 -0.067 0.000 1.223 237 R HN 0.130 8.400 8.270 0.000 0.000 0.441 238 L N 5.214 126.465 121.223 0.046 0.000 2.319 238 L HA 0.512 4.852 4.340 -0.001 0.000 0.281 238 L C -0.230 176.645 176.870 0.008 0.000 1.005 238 L CA 0.218 55.056 54.840 -0.003 0.000 0.828 238 L CB 1.106 43.084 42.059 -0.135 0.000 1.227 238 L HN 0.937 9.167 8.230 0.000 0.000 0.415 239 N N 2.937 121.680 118.700 0.072 0.000 1.347 239 N HA -0.335 4.405 4.740 -0.001 0.000 0.141 239 N C 0.319 175.889 175.510 0.100 0.000 0.677 239 N CA 2.215 55.343 53.050 0.129 0.000 1.016 239 N CB -0.572 38.069 38.487 0.256 0.000 1.268 239 N HN 0.803 9.183 8.380 0.000 0.000 0.487 240 E N -0.327 119.954 120.200 0.135 0.000 2.476 240 E HA 0.072 4.422 4.350 -0.001 0.000 0.196 240 E C -0.321 176.314 176.600 0.060 0.000 1.029 240 E CA -0.009 56.437 56.400 0.077 0.000 0.896 240 E CB 0.066 29.809 29.700 0.072 0.000 1.012 240 E HN 0.482 8.842 8.360 0.000 0.000 0.475 241 H N 0.446 119.492 119.070 -0.041 0.000 2.640 241 H HA 0.240 4.796 4.556 -0.001 0.000 0.297 241 H C -0.642 174.470 175.328 -0.360 0.000 1.073 241 H CA -0.332 55.618 56.048 -0.162 0.000 1.305 241 H CB 0.675 30.353 29.762 -0.140 0.000 1.404 241 H HN -0.178 8.102 8.280 0.000 0.000 0.459 242 S N 4.925 120.297 115.700 -0.547 0.000 2.545 242 S HA 0.080 4.549 4.470 -0.001 0.000 0.275 242 S C 0.369 174.623 174.600 -0.578 0.000 1.299 242 S CA -0.479 57.458 58.200 -0.438 0.000 1.048 242 S CB 0.296 63.341 63.200 -0.257 0.000 0.938 242 S HN 0.616 8.926 8.310 0.000 0.000 0.496 243 F N 1.607 121.489 119.950 -0.113 0.000 2.437 243 F HA 0.348 4.874 4.527 -0.001 0.000 0.288 243 F C 0.448 176.347 175.800 0.164 0.000 1.085 243 F CA -0.154 57.875 58.000 0.048 0.000 1.430 243 F CB 0.241 39.334 39.000 0.155 0.000 1.120 243 F HN 0.650 8.950 8.300 0.000 0.000 0.556 244 F N -2.507 117.538 119.950 0.159 0.000 2.741 244 F HA 0.505 5.031 4.527 -0.001 0.000 0.311 244 F C 0.186 176.016 175.800 0.050 0.000 1.149 244 F CA -1.106 56.944 58.000 0.084 0.000 0.930 244 F CB 0.780 39.831 39.000 0.085 0.000 1.312 244 F HN -0.298 8.002 8.300 0.000 0.000 0.450 245 E N -0.083 120.272 120.200 0.259 0.000 2.372 245 E HA 0.095 4.445 4.350 -0.001 0.000 0.201 245 E C 0.427 177.163 176.600 0.227 0.000 0.938 245 E CA 0.488 56.968 56.400 0.132 0.000 0.944 245 E CB 0.632 30.380 29.700 0.080 0.000 0.937 245 E HN 0.709 9.069 8.360 0.000 0.000 0.495 246 E N 0.259 120.667 120.200 0.346 0.000 2.520 246 E HA 0.200 4.550 4.350 -0.001 0.000 0.201 246 E C 0.345 177.065 176.600 0.199 0.000 0.894 246 E CA 0.526 57.058 56.400 0.221 0.000 1.161 246 E CB 1.022 30.785 29.700 0.104 0.000 1.137 246 E HN -0.023 8.337 8.360 0.000 0.000 0.510 247 E N 0.984 121.193 120.200 0.015 0.000 2.356 247 E HA 0.366 4.716 4.350 -0.001 0.000 0.275 247 E C -2.582 173.430 176.600 -0.980 0.000 0.904 247 E CA -2.049 54.150 56.400 -0.334 0.000 0.757 247 E CB 2.687 32.275 29.700 -0.188 0.000 1.232 247 E HN -0.081 8.280 8.360 0.000 0.000 0.442 248 P HA 0.090 4.510 4.420 0.000 0.000 0.271 248 P C 0.347 177.322 177.300 -0.542 0.000 1.233 248 P CA -0.186 62.171 63.100 -1.239 0.000 0.789 248 P CB 0.431 31.735 31.700 -0.660 0.000 0.951 249 G N 1.195 109.803 108.800 -0.319 0.000 2.716 249 G HA2 0.139 4.099 3.960 -0.001 0.000 0.251 249 G HA3 0.139 4.099 3.960 -0.001 0.000 0.251 249 G C -1.339 173.486 174.900 -0.126 0.000 1.224 249 G CA -0.862 44.153 45.100 -0.142 0.000 0.891 249 G HN 0.353 8.643 8.290 0.000 0.000 0.561 250 P HA -0.117 4.303 4.420 0.000 0.000 0.215 250 P C 1.970 179.225 177.300 -0.075 0.000 1.153 250 P CA 0.923 63.980 63.100 -0.072 0.000 0.853 250 P CB 0.030 31.704 31.700 -0.043 0.000 0.788 251 V N 0.310 120.192 119.914 -0.052 0.000 2.307 251 V HA -0.183 3.937 4.120 -0.001 0.000 0.245 251 V C 2.653 178.684 176.094 -0.104 0.000 1.045 251 V CA 2.580 64.852 62.300 -0.047 0.000 1.024 251 V CB -1.936 29.892 31.823 0.008 0.000 0.651 251 V HN 0.173 8.363 8.190 0.000 0.000 0.449 252 T N 0.614 115.095 114.554 -0.121 0.000 2.708 252 T HA -0.158 4.191 4.350 -0.001 0.000 0.266 252 T C 2.095 176.618 174.700 -0.294 0.000 1.037 252 T CA 1.642 63.575 62.100 -0.279 0.000 1.146 252 T CB -0.480 68.266 68.868 -0.203 0.000 0.865 252 T HN 0.554 8.794 8.240 0.000 0.000 0.435 253 A N 1.473 124.164 122.820 -0.215 0.000 1.908 253 A HA -0.147 4.172 4.320 -0.001 0.000 0.218 253 A C 2.565 180.056 177.584 -0.156 0.000 1.181 253 A CA 2.155 54.080 52.037 -0.187 0.000 0.627 253 A CB -1.308 17.595 19.000 -0.161 0.000 0.818 253 A HN 0.490 8.640 8.150 0.000 0.000 0.445 254 T N 0.388 114.860 114.554 -0.138 0.000 2.708 254 T HA 0.024 4.373 4.350 -0.001 0.000 0.266 254 T C 1.085 175.706 174.700 -0.132 0.000 1.037 254 T CA 0.836 62.868 62.100 -0.113 0.000 1.146 254 T CB -0.466 68.346 68.868 -0.095 0.000 0.865 254 T HN 0.321 8.561 8.240 0.000 0.000 0.435 258 N N -0.491 118.207 118.700 -0.002 0.000 2.353 258 N HA 0.350 5.090 4.740 -0.001 0.000 0.185 258 N C 1.023 176.573 175.510 0.066 0.000 1.098 258 N CA 0.586 53.645 53.050 0.014 0.000 0.872 258 N CB -0.057 38.409 38.487 -0.036 0.000 0.970 258 N HN 0.311 8.691 8.380 0.000 0.000 0.467 259 F N 1.884 121.800 119.950 -0.057 0.000 2.046 259 F HA -0.147 4.380 4.527 -0.001 0.000 0.297 259 F C 2.296 178.101 175.800 0.009 0.000 1.123 259 F CA 1.637 59.620 58.000 -0.027 0.000 1.199 259 F CB -0.153 38.796 39.000 -0.085 0.000 0.972 259 F HN 0.019 8.319 8.300 0.000 0.000 0.474 260 E N -0.061 120.134 120.200 -0.009 0.000 2.028 260 E HA -0.162 4.188 4.350 -0.001 0.000 0.191 260 E C -0.485 176.013 176.600 -0.169 0.000 0.988 260 E CA 1.443 57.737 56.400 -0.178 0.000 0.799 260 E CB -1.038 28.651 29.700 -0.018 0.000 0.755 260 E HN 0.240 8.600 8.360 0.000 0.000 0.447 261 P HA -0.192 4.228 4.420 0.000 0.000 0.216 261 P C 1.061 178.354 177.300 -0.012 0.000 1.157 261 P CA 1.186 64.272 63.100 -0.025 0.000 0.880 261 P CB -0.147 31.563 31.700 0.016 0.000 0.791 262 F N 0.758 120.621 119.950 -0.146 0.000 2.060 262 F HA -0.169 4.357 4.527 -0.001 0.000 0.295 262 F C 2.080 177.787 175.800 -0.156 0.000 1.120 262 F CA 1.571 59.491 58.000 -0.133 0.000 1.205 262 F CB -0.915 38.007 39.000 -0.130 0.000 0.986 262 F HN -0.219 8.081 8.300 0.000 0.000 0.470 263 V N -0.186 119.580 119.914 -0.247 0.000 2.427 263 V HA -0.195 3.925 4.120 -0.001 0.000 0.248 263 V C 2.051 178.085 176.094 -0.099 0.000 1.051 263 V CA 1.880 64.010 62.300 -0.284 0.000 1.048 263 V CB -1.139 30.438 31.823 -0.411 0.000 0.666 263 V HN 0.449 8.639 8.190 0.000 0.000 0.456 264 L N 0.624 121.764 121.223 -0.137 0.000 2.465 264 L HA 0.078 4.418 4.340 -0.001 0.000 0.224 264 L C 1.718 178.761 176.870 0.288 0.000 1.145 264 L CA 0.953 55.897 54.840 0.172 0.000 0.834 264 L CB -0.639 41.392 42.059 -0.046 0.000 0.944 264 L HN 0.437 8.667 8.230 0.000 0.000 0.451 265 N N -0.027 118.699 118.700 0.043 0.000 2.214 265 N HA 0.153 4.893 4.740 -0.001 0.000 0.214 265 N C -0.339 175.146 175.510 -0.042 0.000 1.132 265 N CA -0.039 53.013 53.050 0.004 0.000 0.856 265 N CB 1.121 39.573 38.487 -0.058 0.000 1.020 265 N HN 0.092 8.472 8.380 0.000 0.000 0.509 266 L N 1.409 122.603 121.223 -0.048 0.000 2.272 266 L HA 0.185 4.525 4.340 -0.001 0.000 0.289 266 L C 1.477 178.374 176.870 0.045 0.000 1.032 266 L CA -0.037 54.723 54.840 -0.133 0.000 0.810 266 L CB 1.864 43.722 42.059 -0.336 0.000 1.205 266 L HN -0.059 8.171 8.230 0.000 0.000 0.422 267 E N 2.338 122.562 120.200 0.040 0.000 2.110 267 E HA -0.242 4.107 4.350 -0.001 0.000 0.193 267 E C 1.543 178.172 176.600 0.048 0.000 0.988 267 E CA 1.815 58.277 56.400 0.103 0.000 0.804 267 E CB 0.106 29.834 29.700 0.045 0.000 0.745 267 E HN 0.722 9.082 8.360 0.000 0.000 0.458 268 E N -0.382 119.795 120.200 -0.038 0.000 2.267 268 E HA -0.209 4.141 4.350 -0.001 0.000 0.197 268 E C 1.102 177.608 176.600 -0.157 0.000 0.998 268 E CA 1.238 57.593 56.400 -0.075 0.000 0.830 268 E CB -0.302 29.352 29.700 -0.075 0.000 0.751 268 E HN 0.179 8.539 8.360 0.000 0.000 0.491 269 N N -0.779 117.744 118.700 -0.294 0.000 2.398 269 N HA 0.010 4.750 4.740 -0.001 0.000 0.188 269 N C -0.064 174.932 175.510 -0.856 0.000 1.122 269 N CA 0.587 53.208 53.050 -0.714 0.000 0.866 269 N CB 0.101 37.977 38.487 -1.018 0.000 0.970 269 N HN 0.433 8.813 8.380 0.000 0.000 0.462 270 W N -0.075 121.186 121.300 -0.065 0.000 2.534 270 W HA 0.300 4.960 4.660 -0.001 0.000 0.339 270 W C 0.048 176.599 176.519 0.052 0.000 0.961 270 W CA -0.369 56.987 57.345 0.018 0.000 1.545 270 W CB 0.288 29.764 29.460 0.028 0.000 1.104 270 W HN -0.344 7.836 8.180 0.000 0.000 0.538 271 V N 2.519 122.547 119.914 0.191 0.000 2.717 271 V HA 0.073 4.193 4.120 -0.001 0.000 0.302 271 V C 1.384 177.629 176.094 0.251 0.000 1.097 271 V CA 2.170 64.537 62.300 0.111 0.000 1.262 271 V CB -0.592 31.174 31.823 -0.094 0.000 0.846 271 V HN 0.648 8.838 8.190 0.000 0.000 0.485 272 G N 4.262 113.196 108.800 0.225 0.000 2.159 272 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.256 272 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.256 272 G C 0.043 175.057 174.900 0.189 0.000 0.977 272 G CA 0.121 45.386 45.100 0.275 0.000 0.652 272 G HN 0.490 8.780 8.290 0.000 0.000 0.531 273 I N 0.000 120.702 120.570 0.220 0.000 2.984 273 I HA 0.000 4.170 4.170 -0.001 0.000 0.288 273 I CA 0.000 61.418 61.300 0.197 0.000 1.566 273 I CB 0.000 38.221 38.000 0.368 0.000 1.214 273 I HN 0.000 8.210 8.210 0.000 0.000 0.494