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 1k6a_1_A DATA FIRST_RESID 1 DATA SEQUENCE QAAQSVDQLI KARGKVYFGV ATDQNRLTTG KNAAIIQADF GQVTPENSMK DATA SEQUENCE WDATEPSQGN FNFAGADYLV NWAQQNGKLI RGHTLVWHSQ LPSWVSSITD DATA SEQUENCE KNTLTNVMKN HITTLMTRYK GKIRAWDVVN EAFNEDGSLR QTVFLNVIGE DATA SEQUENCE DYIPIAFQTA RAADPNAKLY INDYNLDSAS YPKTQAIVNR VKQWRAAGVP DATA SEQUENCE IDGIGSQTHL SAGQGAGVLQ ALPLLASAGT PEVAITELDV AGASPTDYVN DATA SEQUENCE VVNAcLNVQS cVGITVWGVA DPDSWRASTT PLLFDGNFNP KPAYNAIVQD DATA SEQUENCE LQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 176.016 176.000 0.026 0.000 1.003 1 Q CA 0.000 55.791 55.803 -0.019 0.000 1.022 1 Q CB 0.000 28.717 28.738 -0.034 0.000 1.108 2 A N 1.313 124.141 122.820 0.014 0.000 2.354 2 A HA 0.232 4.536 4.320 -0.027 0.000 0.269 2 A C -0.457 177.131 177.584 0.008 0.000 1.109 2 A CA -0.418 51.598 52.037 -0.035 0.000 0.800 2 A CB 0.944 19.820 19.000 -0.206 0.000 1.045 2 A HN 0.048 8.458 8.150 0.028 -0.243 0.489 3 A N 1.823 124.653 122.820 0.016 0.000 1.969 3 A HA -0.137 4.188 4.320 0.009 0.000 0.218 3 A C 1.181 178.781 177.584 0.026 0.000 1.169 3 A CA 1.746 53.792 52.037 0.016 0.000 0.635 3 A CB -0.033 18.974 19.000 0.012 0.000 0.810 3 A HN 0.267 8.425 8.150 0.013 0.000 0.445 4 Q N -0.347 119.487 119.800 0.057 0.000 2.278 4 Q HA 0.201 4.551 4.340 0.017 0.000 0.257 4 Q C -1.346 174.697 176.000 0.072 0.000 0.928 4 Q CA -1.087 54.745 55.803 0.048 0.000 0.932 4 Q CB 0.746 29.506 28.738 0.037 0.000 1.221 4 Q HN -0.029 nan 8.270 nan 0.000 0.434 5 S N 3.932 119.633 115.700 0.001 0.000 2.430 5 S HA 0.200 4.783 4.470 -0.036 -0.135 0.289 5 S C 1.195 175.714 174.600 -0.135 0.000 1.143 5 S CA -1.627 56.543 58.200 -0.050 0.000 1.067 5 S CB 0.668 63.842 63.200 -0.044 0.000 0.964 5 S HN 0.610 8.915 8.310 -0.008 0.000 0.485 6 V N 6.463 126.199 119.914 -0.296 0.000 2.490 6 V HA -0.318 3.595 4.120 -0.345 0.000 0.250 6 V C 0.789 176.783 176.094 -0.166 0.000 1.061 6 V CA 2.293 64.336 62.300 -0.428 0.000 1.064 6 V CB -0.907 30.324 31.823 -0.986 0.000 0.670 6 V HN -0.107 7.907 8.190 -0.294 0.000 0.461 7 D N 0.460 120.813 120.400 -0.078 0.000 2.097 7 D HA -0.287 4.507 4.640 0.255 0.000 0.197 7 D C 2.778 179.126 176.300 0.080 0.000 0.984 7 D CA 3.334 57.410 54.000 0.127 0.000 0.826 7 D CB -0.189 40.716 40.800 0.175 0.000 0.973 7 D HN -0.288 7.957 8.370 -0.177 0.019 0.460 8 Q N -0.084 119.731 119.800 0.025 0.000 2.096 8 Q HA -0.176 4.174 4.340 0.017 0.000 0.204 8 Q C 2.844 178.854 176.000 0.017 0.000 0.982 8 Q CA 1.666 57.483 55.803 0.022 0.000 0.850 8 Q CB -0.477 28.264 28.738 0.004 0.000 0.901 8 Q HN 0.438 nan 8.270 nan 0.000 0.422 9 L N -0.958 120.263 121.223 -0.004 0.000 2.093 9 L HA -0.310 4.028 4.340 -0.004 0.000 0.208 9 L C 2.242 179.126 176.870 0.024 0.000 1.085 9 L CA 2.136 56.973 54.840 -0.006 0.000 0.755 9 L CB 0.077 42.110 42.059 -0.044 0.000 0.904 9 L HN -0.339 7.876 8.230 -0.025 0.000 0.435 10 I N -1.064 119.544 120.570 0.063 0.000 2.439 10 I HA -0.528 3.683 4.170 0.067 0.000 0.251 10 I C 1.044 177.194 176.117 0.056 0.000 1.139 10 I CA 2.487 63.839 61.300 0.086 0.000 1.438 10 I CB 0.044 38.152 38.000 0.179 0.000 1.085 10 I HN -0.047 8.205 8.210 0.071 0.000 0.427 11 K N -0.129 120.308 120.400 0.062 0.000 2.097 11 K HA -0.242 4.341 4.320 0.046 -0.236 0.206 11 K C 2.942 179.560 176.600 0.031 0.000 1.049 11 K CA 3.245 59.561 56.287 0.048 0.000 0.933 11 K CB -0.237 32.298 32.500 0.058 0.000 0.717 11 K HN -0.302 7.993 8.250 0.075 0.000 0.442 12 A N -0.901 121.934 122.820 0.025 0.000 2.121 12 A HA -0.104 4.225 4.320 0.016 0.000 0.218 12 A C 0.957 178.549 177.584 0.013 0.000 1.154 12 A CA 2.425 54.472 52.037 0.016 0.000 0.679 12 A CB -0.618 18.389 19.000 0.011 0.000 0.795 12 A HN -0.382 7.784 8.150 0.027 0.000 0.458 13 R N -3.956 116.553 120.500 0.015 0.000 2.317 13 R HA 0.042 4.387 4.340 0.009 0.000 0.208 13 R C 0.793 177.098 176.300 0.008 0.000 0.914 13 R CA -1.102 55.005 56.100 0.011 0.000 1.060 13 R CB -0.208 30.100 30.300 0.013 0.000 1.015 13 R HN -0.700 7.438 8.270 0.020 0.144 0.498 14 G N -1.049 107.757 108.800 0.011 0.000 2.159 14 G HA2 -0.318 3.649 3.960 0.012 0.000 0.227 14 G HA3 -0.318 3.646 3.960 0.006 0.000 0.227 14 G C -0.079 174.822 174.900 0.003 0.000 0.986 14 G CA 0.014 45.119 45.100 0.008 0.000 0.651 14 G HN -0.197 7.912 8.290 0.015 0.190 0.523 15 K N -1.130 119.267 120.400 -0.004 0.000 2.148 15 K HA 0.347 4.644 4.320 -0.038 0.000 0.239 15 K C 0.069 176.660 176.600 -0.014 0.000 1.018 15 K CA -2.464 53.803 56.287 -0.033 0.000 0.923 15 K CB 1.202 33.659 32.500 -0.072 0.000 1.117 15 K HN -0.532 7.720 8.250 0.003 0.000 0.477 16 V N -0.348 119.535 119.914 -0.051 0.000 2.500 16 V HA -0.006 4.164 4.120 0.084 0.000 0.243 16 V C -0.353 175.830 176.094 0.148 0.000 1.039 16 V CA 1.693 64.028 62.300 0.058 0.000 1.053 16 V CB 0.571 32.479 31.823 0.141 0.000 0.695 16 V HN 0.122 8.236 8.190 -0.126 0.000 0.463 17 Y N -7.574 112.772 120.300 0.077 0.000 2.656 17 Y HA 0.600 5.397 4.550 0.143 -0.161 0.334 17 Y C -2.784 173.219 175.900 0.171 0.000 1.179 17 Y CA -2.263 55.911 58.100 0.124 0.000 1.050 17 Y CB 2.308 40.829 38.460 0.101 0.000 1.308 17 Y HN -0.744 7.286 8.280 -0.416 0.000 0.456 18 F N 1.628 121.765 119.950 0.312 0.000 2.499 18 F HA 0.767 5.659 4.527 0.303 -0.183 0.333 18 F C -1.403 174.730 175.800 0.554 0.000 1.138 18 F CA -2.036 56.179 58.000 0.357 0.000 0.945 18 F CB 3.667 42.817 39.000 0.251 0.000 1.181 18 F HN 0.222 9.184 8.300 0.553 -0.331 0.435 19 G N 4.535 113.793 108.800 0.762 0.000 3.105 19 G HA2 0.875 5.167 3.960 0.506 0.000 0.277 19 G HA3 0.875 5.294 3.960 0.278 -0.293 0.277 19 G C -2.955 171.998 174.900 0.088 0.000 1.375 19 G CA -1.477 43.881 45.100 0.430 0.000 0.962 19 G HN 0.786 9.441 8.290 0.610 0.000 0.541 20 V N -7.755 112.061 119.914 -0.163 0.000 3.087 20 V HA 1.004 5.214 4.120 -0.220 -0.222 0.306 20 V C -2.119 173.801 176.094 -0.290 0.000 1.187 20 V CA -3.010 59.094 62.300 -0.326 0.000 0.999 20 V CB 4.166 35.600 31.823 -0.648 0.000 1.049 20 V HN 0.030 8.158 8.190 -0.104 0.000 0.431 21 A N 1.380 123.957 122.820 -0.406 0.000 2.388 21 A HA 0.767 4.962 4.320 -0.566 -0.214 0.257 21 A C -0.966 176.319 177.584 -0.499 0.000 1.095 21 A CA -0.851 50.791 52.037 -0.659 0.000 0.791 21 A CB 1.160 19.267 19.000 -1.487 0.000 1.029 21 A HN 0.071 8.005 8.150 -0.359 0.000 0.489 22 T N 1.229 115.533 114.554 -0.417 0.000 2.661 22 T HA 0.185 4.340 4.350 -0.324 0.000 0.305 22 T C -2.283 172.258 174.700 -0.266 0.000 1.441 22 T CA -0.986 60.918 62.100 -0.327 0.000 0.999 22 T CB 1.469 70.145 68.868 -0.320 0.000 1.650 22 T HN 0.365 8.359 8.240 -0.411 0.000 0.489 23 D N -0.461 119.798 120.400 -0.236 0.000 2.769 23 D HA 0.215 4.767 4.640 -0.146 0.000 0.309 23 D C 1.200 177.371 176.300 -0.215 0.000 1.315 23 D CA 0.084 53.978 54.000 -0.177 0.000 0.780 23 D CB 1.506 42.229 40.800 -0.129 0.000 1.312 23 D HN 0.123 8.339 8.370 -0.257 0.000 0.437 24 Q N 1.470 121.132 119.800 -0.230 0.000 2.112 24 Q HA -0.237 4.113 4.340 0.017 0.000 0.206 24 Q C 1.046 176.831 176.000 -0.358 0.000 0.987 24 Q CA 2.664 58.184 55.803 -0.471 0.000 0.858 24 Q CB -0.010 28.328 28.738 -0.667 0.000 0.905 24 Q HN 0.388 nan 8.270 nan 0.000 0.420 25 N N -2.634 115.923 118.700 -0.237 0.000 2.223 25 N HA -0.266 4.368 4.740 -0.176 0.000 0.185 25 N C 1.539 176.959 175.510 -0.150 0.000 1.016 25 N CA 2.409 55.358 53.050 -0.169 0.000 0.863 25 N CB -0.829 37.591 38.487 -0.110 0.000 0.983 25 N HN 0.233 8.488 8.380 -0.209 0.000 0.429 26 R N -0.284 120.116 120.500 -0.168 0.000 2.075 26 R HA -0.030 4.248 4.340 -0.104 0.000 0.226 26 R C 2.848 179.029 176.300 -0.198 0.000 1.114 26 R CA 1.044 57.052 56.100 -0.154 0.000 0.972 26 R CB -0.655 29.544 30.300 -0.168 0.000 0.869 26 R HN -0.638 7.504 8.270 -0.185 0.017 0.437 27 L N -2.247 118.811 121.223 -0.276 0.000 2.191 27 L HA -0.178 3.937 4.340 -0.375 0.000 0.212 27 L C 1.297 178.051 176.870 -0.193 0.000 1.103 27 L CA 2.446 57.084 54.840 -0.336 0.000 0.769 27 L CB -0.258 41.501 42.059 -0.501 0.000 0.908 27 L HN -0.170 7.888 8.230 -0.286 0.000 0.438 28 T N -8.374 106.084 114.554 -0.159 0.000 3.144 28 T HA 0.042 4.362 4.350 -0.050 0.000 0.249 28 T C 0.049 174.700 174.700 -0.082 0.000 1.089 28 T CA -0.100 61.944 62.100 -0.093 0.000 0.989 28 T CB 0.525 69.328 68.868 -0.110 0.000 0.992 28 T HN -0.685 7.405 8.240 -0.193 0.035 0.540 29 T N 1.634 116.130 114.554 -0.098 0.000 2.896 29 T HA 0.205 4.518 4.350 -0.063 0.000 0.297 29 T C -0.548 174.082 174.700 -0.118 0.000 1.108 29 T CA -0.916 61.140 62.100 -0.074 0.000 1.004 29 T CB 2.914 71.761 68.868 -0.035 0.000 1.159 29 T HN -0.724 7.374 8.240 -0.120 0.070 0.499 30 G N 3.167 111.897 108.800 -0.115 0.000 2.574 30 G HA2 -0.398 3.433 3.960 -0.214 0.000 0.282 30 G HA3 -0.398 3.381 3.960 -0.302 0.000 0.282 30 G C -0.641 173.931 174.900 -0.547 0.000 1.257 30 G CA 1.086 46.004 45.100 -0.303 0.000 0.956 30 G HN 0.278 8.529 8.290 -0.066 0.000 0.560 31 K N 1.668 121.336 120.400 -1.221 0.000 2.440 31 K HA 0.181 4.191 4.320 -0.516 0.000 0.206 31 K C 0.605 176.844 176.600 -0.602 0.000 1.025 31 K CA -0.485 55.294 56.287 -0.847 0.000 1.135 31 K CB 0.144 32.145 32.500 -0.832 0.000 0.856 31 K HN 0.072 6.994 8.250 -2.214 0.000 0.502 32 N N 1.291 119.703 118.700 -0.480 0.000 2.069 32 N HA -0.344 4.273 4.740 -0.204 0.000 0.191 32 N C 1.308 176.705 175.510 -0.188 0.000 1.031 32 N CA 3.861 56.764 53.050 -0.244 0.000 0.852 32 N CB -0.407 37.981 38.487 -0.165 0.000 1.018 32 N HN -0.766 7.241 8.380 -0.506 0.070 0.423 33 A N -1.072 121.647 122.820 -0.169 0.000 1.902 33 A HA -0.212 4.048 4.320 -0.100 0.000 0.217 33 A C 0.345 177.990 177.584 0.101 0.000 1.181 33 A CA 2.753 54.775 52.037 -0.025 0.000 0.623 33 A CB -0.841 18.189 19.000 0.050 0.000 0.818 33 A HN 0.279 8.313 8.150 -0.193 0.000 0.443 34 A N -3.077 119.738 122.820 -0.009 0.000 1.902 34 A HA -0.215 4.312 4.320 0.041 -0.182 0.217 34 A C 2.068 179.642 177.584 -0.017 0.000 1.181 34 A CA 2.270 54.302 52.037 -0.009 0.000 0.623 34 A CB -0.075 18.880 19.000 -0.074 0.000 0.818 34 A HN -0.322 7.781 8.150 -0.078 0.000 0.443 35 I N -1.281 119.238 120.570 -0.085 0.000 2.252 35 I HA -0.508 3.592 4.170 -0.116 0.000 0.245 35 I C 2.008 178.180 176.117 0.092 0.000 1.102 35 I CA 4.380 65.618 61.300 -0.104 0.000 1.385 35 I CB 0.105 37.904 38.000 -0.335 0.000 1.064 35 I HN -0.573 7.554 8.210 -0.137 0.000 0.414 36 I N 0.525 121.195 120.570 0.167 0.000 2.226 36 I HA -0.642 3.847 4.170 0.531 0.000 0.245 36 I C 2.926 179.237 176.117 0.324 0.000 1.100 36 I CA 3.947 65.450 61.300 0.339 0.000 1.374 36 I CB -0.964 37.181 38.000 0.241 0.000 1.057 36 I HN -0.223 8.034 8.210 0.078 0.000 0.413 37 Q N 0.588 120.554 119.800 0.276 0.000 2.061 37 Q HA -0.250 4.100 4.340 0.017 0.000 0.204 37 Q C 2.354 178.403 176.000 0.082 0.000 0.984 37 Q CA 2.326 58.221 55.803 0.154 0.000 0.846 37 Q CB -0.289 28.512 28.738 0.105 0.000 0.902 37 Q HN 0.392 nan 8.270 nan 0.000 0.421 38 A N -1.353 121.501 122.820 0.057 0.000 1.903 38 A HA -0.154 4.172 4.320 0.009 0.000 0.213 38 A C 1.010 178.584 177.584 -0.016 0.000 1.185 38 A CA 2.055 54.099 52.037 0.012 0.000 0.628 38 A CB 0.109 19.104 19.000 -0.007 0.000 0.830 38 A HN -0.331 7.858 8.150 0.065 0.000 0.446 39 D N -4.478 115.885 120.400 -0.062 0.000 2.449 39 D HA 0.239 4.769 4.640 -0.183 0.000 0.210 39 D C -1.391 174.607 176.300 -0.503 0.000 1.094 39 D CA 0.685 54.516 54.000 -0.281 0.000 0.846 39 D CB 2.808 43.365 40.800 -0.405 0.000 1.003 39 D HN -0.249 8.120 8.370 -0.001 0.000 0.504 40 F N -1.852 118.180 119.950 0.137 0.000 2.577 40 F HA 0.478 5.241 4.527 0.208 -0.111 0.318 40 F C -0.388 175.507 175.800 0.159 0.000 1.065 40 F CA -1.238 56.868 58.000 0.177 0.000 0.929 40 F CB 3.944 43.055 39.000 0.185 0.000 1.237 40 F HN -0.660 7.725 8.300 0.141 0.000 0.468 41 G N -1.453 107.583 108.800 0.393 0.000 3.228 41 G HA2 0.137 4.213 3.960 0.194 0.000 0.245 41 G HA3 0.137 4.551 3.960 0.252 -0.303 0.245 41 G C -0.740 174.265 174.900 0.176 0.000 1.051 41 G CA 0.878 46.129 45.100 0.251 0.000 0.809 41 G HN 0.503 9.095 8.290 0.503 0.000 0.531 42 Q N 0.456 120.359 119.800 0.171 0.000 2.426 42 Q HA 0.731 5.081 4.340 0.017 0.000 0.278 42 Q C -2.370 173.619 176.000 -0.019 0.000 1.007 42 Q CA -0.004 55.781 55.803 -0.030 0.000 0.850 42 Q CB 2.957 31.525 28.738 -0.284 0.000 1.427 42 Q HN -0.588 nan 8.270 nan 0.000 0.391 43 V N -0.108 119.752 119.914 -0.089 0.000 2.876 43 V HA 1.052 5.347 4.120 -0.120 -0.248 0.312 43 V C -1.462 174.526 176.094 -0.176 0.000 1.085 43 V CA -2.509 59.726 62.300 -0.108 0.000 0.945 43 V CB 2.810 34.606 31.823 -0.045 0.000 1.017 43 V HN 0.639 8.756 8.190 -0.122 0.000 0.428 44 T N 5.881 120.316 114.554 -0.199 0.000 2.812 44 T HA 0.768 5.170 4.350 -0.190 -0.166 0.282 44 T C -2.120 172.448 174.700 -0.220 0.000 0.990 44 T CA -2.891 59.093 62.100 -0.195 0.000 0.960 44 T CB 1.876 70.665 68.868 -0.131 0.000 0.948 44 T HN 0.022 8.130 8.240 -0.219 0.000 0.438 45 P HA 0.237 4.768 4.420 -0.140 -0.194 0.271 45 P C -0.777 176.480 177.300 -0.071 0.000 1.226 45 P CA -0.203 62.837 63.100 -0.100 0.000 0.765 45 P CB 0.382 32.067 31.700 -0.024 0.000 0.835 46 E N 2.465 122.557 120.200 -0.181 0.000 2.106 46 E HA -0.418 3.759 4.350 -0.289 0.000 0.192 46 E C 0.520 177.183 176.600 0.105 0.000 0.984 46 E CA 2.731 59.026 56.400 -0.175 0.000 0.806 46 E CB 0.592 30.125 29.700 -0.277 0.000 0.750 46 E HN 0.208 8.491 8.360 -0.211 -0.050 0.458 47 N N -5.496 113.259 118.700 0.092 0.000 2.066 47 N HA 0.146 5.018 4.740 0.220 0.000 0.232 47 N C 1.377 176.980 175.510 0.155 0.000 1.316 47 N CA 0.933 54.076 53.050 0.156 0.000 0.847 47 N CB 2.847 41.404 38.487 0.118 0.000 1.165 47 N HN -0.043 8.660 8.380 0.035 -0.302 0.471 48 S N 1.679 117.448 115.700 0.116 0.000 2.515 48 S HA -0.156 4.392 4.470 0.130 0.000 0.231 48 S C 0.976 175.692 174.600 0.193 0.000 0.987 48 S CA 2.883 61.162 58.200 0.132 0.000 0.936 48 S CB 0.139 63.397 63.200 0.096 0.000 0.766 48 S HN -0.331 8.230 8.310 0.081 -0.202 0.528 49 M N -0.990 118.739 119.600 0.214 0.000 2.356 49 M HA 0.103 4.777 4.480 0.323 0.000 0.262 49 M C -0.268 176.226 176.300 0.322 0.000 1.097 49 M CA 0.066 55.540 55.300 0.290 0.000 0.991 49 M CB 0.545 33.315 32.600 0.284 0.000 1.450 49 M HN -0.233 8.122 8.290 0.194 0.051 0.495 50 K N 0.683 121.260 120.400 0.295 0.000 2.149 50 K HA 0.044 4.570 4.320 0.343 0.000 0.245 50 K C 0.404 177.245 176.600 0.402 0.000 1.024 50 K CA -0.391 56.101 56.287 0.341 0.000 0.899 50 K CB 0.883 33.587 32.500 0.340 0.000 1.038 50 K HN -0.825 7.584 8.250 0.265 0.000 0.496 51 W N 2.046 123.470 121.300 0.207 0.000 2.363 51 W HA -0.120 4.707 4.660 0.279 0.000 0.296 51 W C 1.760 178.331 176.519 0.086 0.000 1.212 51 W CA 2.062 59.474 57.345 0.112 0.000 1.260 51 W CB 0.063 29.428 29.460 -0.158 0.000 1.131 51 W HN 0.666 9.166 8.180 0.534 0.000 0.530 52 D N -2.332 118.267 120.400 0.332 0.000 2.144 52 D HA -0.321 4.433 4.640 0.190 0.000 0.199 52 D C 0.599 177.016 176.300 0.196 0.000 0.984 52 D CA 2.659 56.779 54.000 0.200 0.000 0.834 52 D CB -1.497 39.362 40.800 0.099 0.000 0.955 52 D HN -0.566 7.986 8.370 0.303 0.000 0.465 53 A N -1.884 121.057 122.820 0.202 0.000 1.897 53 A HA -0.078 4.317 4.320 0.125 0.000 0.215 53 A C 1.197 178.863 177.584 0.137 0.000 1.181 53 A CA 2.227 54.358 52.037 0.158 0.000 0.620 53 A CB 0.296 19.395 19.000 0.166 0.000 0.821 53 A HN -0.555 7.715 8.150 0.232 0.018 0.443 54 T N -7.541 107.125 114.554 0.185 0.000 3.040 54 T HA 0.154 4.740 4.350 0.008 -0.231 0.252 54 T C 0.470 175.167 174.700 -0.005 0.000 1.064 54 T CA 0.431 62.593 62.100 0.103 0.000 1.110 54 T CB 2.009 71.011 68.868 0.224 0.000 0.921 54 T HN -0.720 7.673 8.240 0.254 0.000 0.480 55 E N 1.381 121.640 120.200 0.098 0.000 3.626 55 E HA 0.693 4.820 4.350 -0.371 0.000 0.245 55 E C -2.171 174.626 176.600 0.329 0.000 1.236 55 E CA -3.528 52.838 56.400 -0.058 0.000 1.072 55 E CB 1.708 31.311 29.700 -0.161 0.000 1.309 55 E HN -0.387 8.128 8.360 0.258 0.000 0.400 56 P HA 0.037 4.669 4.420 0.354 0.000 0.229 56 P C -0.480 176.990 177.300 0.285 0.000 1.160 56 P CA 0.690 63.953 63.100 0.272 0.000 0.777 56 P CB 0.496 32.269 31.700 0.122 0.000 0.814 57 S N -2.067 113.628 115.700 -0.008 0.000 2.548 57 S HA 0.242 4.344 4.470 -0.615 0.000 0.286 57 S C -0.166 173.969 174.600 -0.776 0.000 1.098 57 S CA -0.451 57.493 58.200 -0.428 0.000 0.930 57 S CB 1.745 64.776 63.200 -0.281 0.000 1.070 57 S HN -0.282 7.975 8.310 -0.052 0.022 0.480 58 Q N 4.872 123.756 119.800 -1.527 0.000 2.286 58 Q HA -0.141 4.209 4.340 0.017 0.000 0.290 58 Q C 0.257 175.925 176.000 -0.553 0.000 1.049 58 Q CA 0.655 55.656 55.803 -1.337 0.000 0.923 58 Q CB 0.101 28.037 28.738 -1.336 0.000 1.183 58 Q HN 0.198 nan 8.270 nan 0.000 0.383 59 G N 7.053 115.637 108.800 -0.360 0.000 2.175 59 G HA2 -0.524 3.549 3.960 0.187 0.000 0.265 59 G HA3 -0.524 3.427 3.960 -0.016 0.000 0.265 59 G C -0.767 174.111 174.900 -0.035 0.000 0.979 59 G CA 0.137 45.202 45.100 -0.058 0.000 0.663 59 G HN 0.632 9.030 8.290 -0.393 -0.345 0.533 60 N N 1.637 120.192 118.700 -0.241 0.000 2.898 60 N HA 0.188 4.922 4.740 -0.010 0.000 0.245 60 N C -1.458 173.938 175.510 -0.189 0.000 1.185 60 N CA -0.954 52.020 53.050 -0.126 0.000 0.879 60 N CB 0.469 38.874 38.487 -0.136 0.000 1.157 60 N HN -0.394 7.675 8.380 -0.394 0.075 0.503 61 F N 1.053 120.928 119.950 -0.125 0.000 2.389 61 F HA 0.220 4.790 4.527 -0.272 -0.205 0.337 61 F C 0.796 176.348 175.800 -0.414 0.000 1.112 61 F CA 0.112 57.913 58.000 -0.333 0.000 1.192 61 F CB 1.256 39.963 39.000 -0.488 0.000 1.185 61 F HN -0.258 8.213 8.300 0.285 0.000 0.552 62 N N 2.426 120.908 118.700 -0.363 0.000 2.491 62 N HA 0.210 4.870 4.740 -0.133 0.000 0.274 62 N C -1.171 174.166 175.510 -0.288 0.000 1.023 62 N CA -0.796 52.121 53.050 -0.222 0.000 0.902 62 N CB 1.110 39.559 38.487 -0.063 0.000 1.267 62 N HN 0.221 8.263 8.380 -0.389 0.105 0.503 63 F N 3.785 123.842 119.950 0.180 0.000 2.661 63 F HA 0.193 4.860 4.527 0.234 0.000 0.306 63 F C 0.179 176.091 175.800 0.187 0.000 1.094 63 F CA -1.228 56.893 58.000 0.201 0.000 1.254 63 F CB -0.291 38.814 39.000 0.174 0.000 1.040 63 F HN 0.453 8.808 8.300 0.093 0.000 0.562 64 A N 1.896 124.872 122.820 0.260 0.000 1.865 64 A HA -0.322 4.140 4.320 0.237 0.000 0.217 64 A C 1.613 179.331 177.584 0.224 0.000 1.191 64 A CA 3.716 55.885 52.037 0.219 0.000 0.623 64 A CB -0.757 18.330 19.000 0.145 0.000 0.826 64 A HN -0.355 8.185 8.150 0.194 -0.274 0.444 65 G N -3.388 105.521 108.800 0.181 0.000 2.402 65 G HA2 -0.362 3.671 3.960 0.121 0.000 0.216 65 G HA3 -0.362 3.663 3.960 0.107 0.000 0.216 65 G C 0.710 175.727 174.900 0.194 0.000 1.162 65 G CA 1.571 46.761 45.100 0.149 0.000 0.777 65 G HN 0.449 8.838 8.290 0.164 0.000 0.539 66 A N 2.487 125.449 122.820 0.238 0.000 1.902 66 A HA -0.228 4.163 4.320 0.118 0.000 0.217 66 A C 1.626 179.315 177.584 0.176 0.000 1.181 66 A CA 2.373 54.533 52.037 0.206 0.000 0.623 66 A CB -0.637 18.577 19.000 0.356 0.000 0.818 66 A HN 0.059 8.371 8.150 0.270 0.000 0.443 67 D N -1.063 119.521 120.400 0.307 0.000 2.123 67 D HA -0.291 4.519 4.640 0.285 0.000 0.196 67 D C 1.962 178.374 176.300 0.186 0.000 0.992 67 D CA 3.523 57.684 54.000 0.268 0.000 0.833 67 D CB -0.557 40.406 40.800 0.270 0.000 0.954 67 D HN -0.168 8.423 8.370 0.369 0.000 0.455 68 Y N 1.262 121.624 120.300 0.103 0.000 2.097 68 Y HA -0.385 4.224 4.550 0.098 0.000 0.282 68 Y C 1.772 177.724 175.900 0.085 0.000 1.152 68 Y CA 3.557 61.707 58.100 0.084 0.000 1.136 68 Y CB 0.200 38.692 38.460 0.053 0.000 0.975 68 Y HN -0.644 7.826 8.280 0.336 0.012 0.498 69 L N -2.030 119.345 121.223 0.254 0.000 2.027 69 L HA -0.299 4.165 4.340 0.207 0.000 0.206 69 L C 1.983 178.895 176.870 0.070 0.000 1.074 69 L CA 3.174 58.102 54.840 0.147 0.000 0.745 69 L CB -0.635 41.452 42.059 0.047 0.000 0.898 69 L HN -0.646 7.740 8.230 0.261 0.000 0.433 70 V N -1.802 118.092 119.914 -0.032 0.000 2.343 70 V HA -0.413 3.641 4.120 -0.110 0.000 0.247 70 V C 1.569 177.651 176.094 -0.021 0.000 1.051 70 V CA 3.458 65.702 62.300 -0.093 0.000 1.036 70 V CB -0.784 30.891 31.823 -0.246 0.000 0.654 70 V HN 0.107 8.273 8.190 -0.040 0.000 0.451 71 N N -2.378 116.319 118.700 -0.005 0.000 2.120 71 N HA -0.254 4.465 4.740 -0.035 0.000 0.188 71 N C 0.788 176.266 175.510 -0.053 0.000 1.024 71 N CA 2.121 55.148 53.050 -0.037 0.000 0.852 71 N CB 0.109 38.561 38.487 -0.058 0.000 1.003 71 N HN -0.365 8.020 8.380 0.008 0.000 0.424 72 W N 0.054 121.221 121.300 -0.221 0.000 2.358 72 W HA -0.287 4.249 4.660 -0.206 0.000 0.303 72 W C 0.727 177.177 176.519 -0.115 0.000 1.208 72 W CA 3.420 60.648 57.345 -0.195 0.000 1.274 72 W CB 0.501 29.843 29.460 -0.197 0.000 1.138 72 W HN -0.447 7.776 8.180 0.072 0.000 0.515 73 A N -1.090 121.841 122.820 0.186 0.000 1.902 73 A HA -0.516 3.847 4.320 0.072 0.000 0.217 73 A C 2.429 179.937 177.584 -0.126 0.000 1.181 73 A CA 3.092 55.161 52.037 0.053 0.000 0.623 73 A CB -1.403 17.646 19.000 0.082 0.000 0.818 73 A HN 0.018 8.322 8.150 0.256 0.000 0.443 74 Q N -1.117 118.619 119.800 -0.106 0.000 2.079 74 Q HA -0.169 4.181 4.340 0.017 0.000 0.200 74 Q C 3.269 179.167 176.000 -0.170 0.000 0.974 74 Q CA 1.889 57.624 55.803 -0.113 0.000 0.840 74 Q CB -0.334 28.360 28.738 -0.074 0.000 0.898 74 Q HN 0.686 nan 8.270 nan 0.000 0.430 75 Q N 0.595 120.255 119.800 -0.234 0.000 2.170 75 Q HA -0.148 4.202 4.340 0.017 0.000 0.203 75 Q C 1.379 177.173 176.000 -0.342 0.000 0.976 75 Q CA 1.393 57.033 55.803 -0.271 0.000 0.858 75 Q CB 0.174 28.729 28.738 -0.305 0.000 0.907 75 Q HN 0.480 nan 8.270 nan 0.000 0.433 76 N N -3.467 114.943 118.700 -0.484 0.000 2.230 76 N HA 0.103 4.593 4.740 -0.417 0.000 0.202 76 N C -0.512 174.827 175.510 -0.285 0.000 1.119 76 N CA 0.070 52.817 53.050 -0.505 0.000 0.851 76 N CB 1.005 38.890 38.487 -1.004 0.000 0.990 76 N HN -0.477 7.458 8.380 -0.518 0.133 0.497 77 G N -0.601 108.079 108.800 -0.200 0.000 2.176 77 G HA2 -0.417 3.486 3.960 -0.094 0.000 0.252 77 G HA3 -0.417 3.485 3.960 -0.096 0.000 0.252 77 G C -0.611 174.249 174.900 -0.068 0.000 1.024 77 G CA 0.646 45.680 45.100 -0.110 0.000 0.755 77 G HN -0.464 7.640 8.290 -0.213 0.058 0.507 78 K N -0.390 119.968 120.400 -0.070 0.000 2.138 78 K HA 0.208 4.656 4.320 0.014 -0.120 0.263 78 K C 0.191 176.771 176.600 -0.034 0.000 0.965 78 K CA -1.947 54.335 56.287 -0.008 0.000 0.868 78 K CB 1.398 33.936 32.500 0.064 0.000 1.083 78 K HN -0.379 7.806 8.250 -0.109 0.000 0.443 79 L N 1.610 122.804 121.223 -0.049 0.000 2.473 79 L HA -0.015 4.269 4.340 -0.095 0.000 0.268 79 L C -0.443 176.329 176.870 -0.164 0.000 1.215 79 L CA 0.237 55.010 54.840 -0.113 0.000 0.823 79 L CB 0.768 42.734 42.059 -0.154 0.000 1.099 79 L HN -0.183 8.032 8.230 -0.025 0.000 0.483 80 I N -1.491 118.956 120.570 -0.205 0.000 2.465 80 I HA 0.655 4.891 4.170 -0.236 -0.208 0.291 80 I C -1.018 174.896 176.117 -0.339 0.000 1.014 80 I CA -1.530 59.617 61.300 -0.256 0.000 1.093 80 I CB 2.791 40.637 38.000 -0.256 0.000 1.267 80 I HN 0.233 8.329 8.210 -0.190 0.000 0.431 81 R N 4.816 125.101 120.500 -0.359 0.000 2.295 81 R HA 0.710 4.974 4.340 -0.424 -0.178 0.324 81 R C 0.232 176.259 176.300 -0.455 0.000 0.968 81 R CA -1.858 54.007 56.100 -0.392 0.000 0.837 81 R CB 1.952 32.058 30.300 -0.323 0.000 1.133 81 R HN 0.077 8.155 8.270 -0.320 0.000 0.450 82 G N 2.599 110.925 108.800 -0.790 0.000 2.403 82 G HA2 -0.009 3.471 3.960 -0.801 0.000 0.259 82 G HA3 -0.009 2.595 3.960 -2.260 0.000 0.259 82 G C -2.749 172.020 174.900 -0.219 0.000 1.244 82 G CA -0.678 43.797 45.100 -1.042 0.000 0.849 82 G HN 0.292 8.027 8.290 -0.926 0.000 0.532 83 H N 3.780 122.811 119.070 -0.065 0.000 3.149 83 H HA 0.314 4.943 4.556 0.121 0.000 0.334 83 H C -2.273 173.166 175.328 0.185 0.000 1.000 83 H CA -0.001 56.097 56.048 0.084 0.000 1.415 83 H CB 2.273 32.056 29.762 0.036 0.000 1.819 83 H HN 0.146 8.450 8.280 0.041 0.000 0.486 84 T N 4.523 119.025 114.554 -0.086 0.000 2.923 84 T HA 0.350 4.871 4.350 0.095 -0.113 0.311 84 T C -0.754 174.029 174.700 0.139 0.000 1.183 84 T CA -2.823 59.218 62.100 -0.098 0.000 1.020 84 T CB 2.217 70.724 68.868 -0.601 0.000 1.165 84 T HN -0.364 7.880 8.240 0.007 0.000 0.482 85 L N 4.652 125.958 121.223 0.138 0.000 2.084 85 L HA 0.070 4.515 4.340 0.175 0.000 0.202 85 L C 0.376 177.353 176.870 0.178 0.000 1.074 85 L CA 1.808 56.715 54.840 0.112 0.000 0.757 85 L CB 1.075 43.079 42.059 -0.092 0.000 0.918 85 L HN -0.078 8.220 8.230 0.114 0.000 0.444 86 V N -2.860 117.112 119.914 0.098 0.000 2.378 86 V HA 0.104 4.302 4.120 0.130 0.000 0.288 86 V C -2.312 173.913 176.094 0.217 0.000 1.016 86 V CA -0.765 61.564 62.300 0.048 0.000 0.840 86 V CB 1.243 32.948 31.823 -0.197 0.000 0.994 86 V HN -0.478 7.735 8.190 0.039 0.000 0.431 87 W N 6.680 128.021 121.300 0.069 0.000 3.363 87 W HA 0.334 5.097 4.660 0.171 0.000 0.306 87 W C -1.311 175.299 176.519 0.152 0.000 1.253 87 W CA -0.708 56.703 57.345 0.110 0.000 1.195 87 W CB 2.467 31.938 29.460 0.018 0.000 1.366 87 W HN 0.216 8.610 8.180 0.356 0.000 0.551 88 H N 2.026 121.095 119.070 -0.002 0.000 2.512 88 H HA -0.082 4.419 4.556 -0.093 0.000 0.279 88 H C -0.711 174.299 175.328 -0.531 0.000 0.999 88 H CA 0.156 56.086 56.048 -0.197 0.000 1.283 88 H CB 0.214 29.911 29.762 -0.109 0.000 1.421 88 H HN 0.518 8.939 8.280 0.235 0.000 0.554 89 S N 0.060 114.776 115.700 -1.641 0.000 2.652 89 S HA -0.014 3.902 4.470 -0.923 0.000 0.270 89 S C 0.122 174.112 174.600 -1.016 0.000 1.243 89 S CA 0.448 57.767 58.200 -1.468 0.000 0.999 89 S CB 0.720 62.688 63.200 -2.054 0.000 0.973 89 S HN -0.477 6.368 8.310 -2.442 0.000 0.544 90 Q N -0.884 118.565 119.800 -0.585 0.000 2.453 90 Q HA -0.303 4.048 4.340 0.017 0.000 0.294 90 Q C -2.301 173.581 176.000 -0.197 0.000 1.295 90 Q CA 0.111 55.762 55.803 -0.255 0.000 0.853 90 Q CB -1.038 27.678 28.738 -0.037 0.000 1.193 90 Q HN 0.350 nan 8.270 nan 0.000 0.461 91 L N -1.987 119.041 121.223 -0.326 0.000 2.305 91 L HA 0.354 4.409 4.340 -0.475 0.000 0.284 91 L C -2.593 173.988 176.870 -0.482 0.000 1.013 91 L CA -2.951 51.609 54.840 -0.466 0.000 0.819 91 L CB 2.169 43.905 42.059 -0.539 0.000 1.227 91 L HN -0.309 7.706 8.230 -0.351 0.005 0.417 92 P HA 0.128 4.400 4.420 -0.247 0.000 0.268 92 P C 0.525 177.517 177.300 -0.514 0.000 1.208 92 P CA -0.251 62.585 63.100 -0.440 0.000 0.777 92 P CB 0.711 32.150 31.700 -0.435 0.000 0.875 93 S N 1.435 116.977 115.700 -0.263 0.000 2.399 93 S HA -0.259 4.065 4.470 -0.242 0.000 0.231 93 S C 2.050 176.550 174.600 -0.166 0.000 1.022 93 S CA 2.712 60.795 58.200 -0.196 0.000 0.983 93 S CB -0.095 63.056 63.200 -0.080 0.000 0.803 93 S HN 0.544 8.757 8.310 -0.162 0.000 0.480 94 W N -2.522 118.695 121.300 -0.139 0.000 2.392 94 W HA -0.098 4.501 4.660 -0.101 0.000 0.279 94 W C -0.175 176.253 176.519 -0.153 0.000 1.225 94 W CA 1.363 58.639 57.345 -0.116 0.000 1.233 94 W CB -1.064 28.352 29.460 -0.073 0.000 1.122 94 W HN -0.002 8.162 8.180 0.010 0.023 0.561 95 V N -1.070 118.300 119.914 -0.906 0.000 2.346 95 V HA -0.262 3.445 4.120 -0.688 0.000 0.244 95 V C 2.557 178.308 176.094 -0.571 0.000 1.037 95 V CA 2.590 64.346 62.300 -0.907 0.000 1.029 95 V CB -0.290 30.668 31.823 -1.441 0.000 0.663 95 V HN -0.663 6.766 8.190 -1.229 0.023 0.454 96 S N -0.402 114.975 115.700 -0.538 0.000 2.515 96 S HA -0.205 3.969 4.470 -0.494 0.000 0.231 96 S C 1.349 175.785 174.600 -0.272 0.000 0.987 96 S CA 2.138 60.083 58.200 -0.425 0.000 0.936 96 S CB -0.339 62.626 63.200 -0.392 0.000 0.766 96 S HN -0.571 7.395 8.310 -0.574 0.000 0.528 97 S N 0.251 115.834 115.700 -0.195 0.000 2.522 97 S HA -0.038 4.366 4.470 -0.110 0.000 0.227 97 S C -0.084 174.466 174.600 -0.084 0.000 0.986 97 S CA 1.778 59.914 58.200 -0.107 0.000 0.929 97 S CB 0.418 63.593 63.200 -0.042 0.000 0.769 97 S HN -0.665 7.474 8.310 -0.206 0.047 0.529 98 I N 1.917 122.424 120.570 -0.104 0.000 2.416 98 I HA -0.103 4.053 4.170 -0.024 0.000 0.288 98 I C -0.147 175.917 176.117 -0.089 0.000 1.051 98 I CA 0.908 62.172 61.300 -0.061 0.000 1.375 98 I CB 0.498 38.480 38.000 -0.030 0.000 1.407 98 I HN -0.807 7.254 8.210 -0.154 0.057 0.516 99 T N 1.786 116.307 114.554 -0.054 0.000 3.010 99 T HA 0.080 4.382 4.350 -0.079 0.000 0.257 99 T C -0.475 174.205 174.700 -0.033 0.000 1.020 99 T CA -0.849 61.217 62.100 -0.056 0.000 0.938 99 T CB 0.772 69.612 68.868 -0.046 0.000 1.049 99 T HN -0.024 8.195 8.240 -0.034 0.000 0.522 100 D N 2.174 122.566 120.400 -0.013 0.000 2.249 100 D HA 0.084 4.726 4.640 0.003 0.000 0.246 100 D C 0.275 176.584 176.300 0.015 0.000 1.114 100 D CA -1.196 52.807 54.000 0.005 0.000 0.854 100 D CB 1.612 42.422 40.800 0.017 0.000 1.132 100 D HN -0.500 7.863 8.370 -0.011 0.000 0.461 101 K N 7.238 127.650 120.400 0.020 0.000 2.026 101 K HA -0.417 3.924 4.320 0.034 0.000 0.208 101 K C 1.194 177.827 176.600 0.055 0.000 1.048 101 K CA 3.951 60.260 56.287 0.037 0.000 0.929 101 K CB 0.216 32.738 32.500 0.037 0.000 0.713 101 K HN 0.585 8.845 8.250 0.016 0.000 0.439 102 N N -2.187 116.544 118.700 0.051 0.000 2.120 102 N HA -0.232 4.546 4.740 0.064 0.000 0.188 102 N C 1.756 177.311 175.510 0.074 0.000 1.024 102 N CA 3.233 56.318 53.050 0.059 0.000 0.852 102 N CB -0.194 38.322 38.487 0.047 0.000 1.003 102 N HN 0.115 8.521 8.380 0.042 0.000 0.424 103 T N 3.229 117.825 114.554 0.070 0.000 2.708 103 T HA -0.369 4.036 4.350 0.092 0.000 0.266 103 T C 1.746 176.519 174.700 0.121 0.000 1.037 103 T CA 4.645 66.798 62.100 0.089 0.000 1.146 103 T CB 0.076 68.988 68.868 0.074 0.000 0.865 103 T HN -0.445 8.085 8.240 0.057 -0.256 0.435 104 L N 0.800 122.083 121.223 0.100 0.000 2.141 104 L HA -0.234 4.195 4.340 0.150 0.000 0.209 104 L C 1.274 178.256 176.870 0.188 0.000 1.094 104 L CA 2.916 57.832 54.840 0.126 0.000 0.763 104 L CB -0.278 41.806 42.059 0.042 0.000 0.908 104 L HN -0.234 8.039 8.230 0.072 0.000 0.437 105 T N 2.644 117.290 114.554 0.153 0.000 2.684 105 T HA -0.497 3.962 4.350 0.183 0.000 0.267 105 T C 1.628 176.424 174.700 0.159 0.000 1.036 105 T CA 5.721 67.916 62.100 0.157 0.000 1.148 105 T CB -0.373 68.566 68.868 0.118 0.000 0.863 105 T HN 0.005 8.319 8.240 0.123 0.000 0.436 106 N N 1.269 120.055 118.700 0.144 0.000 2.188 106 N HA -0.192 4.620 4.740 0.119 0.000 0.184 106 N C 2.315 177.942 175.510 0.195 0.000 1.018 106 N CA 2.934 56.068 53.050 0.140 0.000 0.858 106 N CB -0.551 38.004 38.487 0.114 0.000 0.989 106 N HN -0.499 7.961 8.380 0.132 0.000 0.426 107 V N 1.417 121.485 119.914 0.257 0.000 2.343 107 V HA -0.436 3.908 4.120 0.374 0.000 0.247 107 V C 1.533 177.885 176.094 0.431 0.000 1.051 107 V CA 4.257 66.788 62.300 0.385 0.000 1.036 107 V CB -0.609 31.502 31.823 0.479 0.000 0.654 107 V HN -0.112 8.220 8.190 0.237 0.000 0.451 108 M N 0.745 120.587 119.600 0.404 0.000 2.086 108 M HA -0.531 4.272 4.480 0.539 0.000 0.261 108 M C 1.778 178.192 176.300 0.190 0.000 1.067 108 M CA 4.609 60.139 55.300 0.384 0.000 1.116 108 M CB -0.241 32.562 32.600 0.339 0.000 1.348 108 M HN -0.036 8.470 8.290 0.361 0.000 0.407 109 K N -2.038 118.450 120.400 0.145 0.000 2.063 109 K HA -0.453 3.881 4.320 0.024 0.000 0.208 109 K C 2.298 178.928 176.600 0.050 0.000 1.048 109 K CA 3.817 60.143 56.287 0.065 0.000 0.928 109 K CB -0.392 32.143 32.500 0.059 0.000 0.713 109 K HN -0.098 8.253 8.250 0.168 0.000 0.442 110 N N -1.339 117.430 118.700 0.115 0.000 2.188 110 N HA -0.291 4.478 4.740 0.048 0.000 0.184 110 N C 1.795 177.370 175.510 0.108 0.000 1.018 110 N CA 2.965 56.082 53.050 0.112 0.000 0.858 110 N CB -0.002 38.599 38.487 0.190 0.000 0.989 110 N HN -0.311 8.163 8.380 0.156 0.000 0.426 111 H N 1.438 120.535 119.070 0.046 0.000 2.321 111 H HA -0.258 4.393 4.556 0.158 0.000 0.300 111 H C 2.421 177.625 175.328 -0.207 0.000 1.087 111 H CA 4.071 60.059 56.048 -0.101 0.000 1.319 111 H CB 0.213 29.579 29.762 -0.660 0.000 1.379 111 H HN -0.420 8.013 8.280 0.254 0.000 0.501 112 I N -1.271 119.189 120.570 -0.183 0.000 2.127 112 I HA -0.622 3.321 4.170 -0.378 0.000 0.241 112 I C 1.821 177.739 176.117 -0.332 0.000 1.075 112 I CA 4.378 65.502 61.300 -0.294 0.000 1.334 112 I CB -0.052 37.815 38.000 -0.222 0.000 1.040 112 I HN -0.262 7.908 8.210 -0.067 0.000 0.405 113 T N 1.744 116.164 114.554 -0.222 0.000 2.746 113 T HA -0.377 3.842 4.350 -0.218 0.000 0.267 113 T C 2.038 176.580 174.700 -0.263 0.000 1.039 113 T CA 5.270 67.244 62.100 -0.210 0.000 1.142 113 T CB -0.106 68.684 68.868 -0.130 0.000 0.866 113 T HN -0.068 8.076 8.240 -0.160 0.000 0.444 114 T N 4.491 118.861 114.554 -0.306 0.000 2.737 114 T HA -0.374 3.748 4.350 -0.380 0.000 0.265 114 T C 1.377 175.827 174.700 -0.417 0.000 1.038 114 T CA 5.087 66.929 62.100 -0.429 0.000 1.144 114 T CB -0.075 68.346 68.868 -0.745 0.000 0.866 114 T HN -0.273 7.805 8.240 -0.269 0.000 0.434 115 L N 0.596 121.598 121.223 -0.368 0.000 2.017 115 L HA -0.271 4.018 4.340 -0.084 0.000 0.208 115 L C 1.988 178.749 176.870 -0.182 0.000 1.073 115 L CA 3.185 57.904 54.840 -0.202 0.000 0.745 115 L CB -0.650 41.285 42.059 -0.207 0.000 0.894 115 L HN -0.669 7.308 8.230 -0.421 0.000 0.432 116 M N -3.180 116.212 119.600 -0.348 0.000 2.175 116 M HA -0.432 4.011 4.480 -0.062 0.000 0.264 116 M C 2.125 178.363 176.300 -0.104 0.000 1.063 116 M CA 3.823 58.976 55.300 -0.245 0.000 1.119 116 M CB 0.025 32.354 32.600 -0.452 0.000 1.377 116 M HN -0.374 7.657 8.290 -0.432 0.000 0.415 117 T N 0.052 114.485 114.554 -0.201 0.000 2.904 117 T HA -0.343 3.932 4.350 -0.125 0.000 0.267 117 T C 2.491 177.037 174.700 -0.257 0.000 1.059 117 T CA 4.029 66.017 62.100 -0.186 0.000 1.137 117 T CB -0.166 68.579 68.868 -0.205 0.000 0.879 117 T HN -0.243 7.848 8.240 -0.247 0.000 0.467 118 R N 2.319 122.550 120.500 -0.448 0.000 2.105 118 R HA -0.305 3.682 4.340 -0.589 0.000 0.239 118 R C 0.299 176.210 176.300 -0.648 0.000 1.135 118 R CA 3.094 58.753 56.100 -0.735 0.000 0.967 118 R CB 0.247 29.760 30.300 -1.311 0.000 0.861 118 R HN -0.723 7.274 8.270 -0.454 0.000 0.442 119 Y N -7.075 113.188 120.300 -0.062 0.000 2.658 119 Y HA 0.079 4.611 4.550 -0.029 0.000 0.276 119 Y C -0.796 175.132 175.900 0.047 0.000 1.167 119 Y CA -2.065 56.042 58.100 0.012 0.000 1.230 119 Y CB -1.092 37.423 38.460 0.093 0.000 1.144 119 Y HN -0.720 7.404 8.280 -0.222 0.023 0.529 120 K N 0.692 121.144 120.400 0.087 0.000 2.491 120 K HA -0.472 4.105 4.320 0.120 -0.185 0.279 120 K C 1.108 177.754 176.600 0.078 0.000 1.026 120 K CA 1.732 58.065 56.287 0.078 0.000 1.070 120 K CB -0.497 32.006 32.500 0.006 0.000 0.887 120 K HN -0.870 7.211 8.250 -0.005 0.166 0.481 121 G N 7.461 116.317 108.800 0.093 0.000 2.179 121 G HA2 -0.276 3.725 3.960 0.067 0.000 0.260 121 G HA3 -0.276 3.713 3.960 0.048 0.000 0.260 121 G C 0.232 175.168 174.900 0.059 0.000 0.977 121 G CA 1.031 46.171 45.100 0.067 0.000 0.641 121 G HN 0.279 8.932 8.290 0.116 -0.294 0.533 122 K N -1.592 118.855 120.400 0.078 0.000 2.353 122 K HA 0.064 4.395 4.320 0.019 0.000 0.195 122 K C -0.857 175.735 176.600 -0.015 0.000 1.031 122 K CA 0.233 56.543 56.287 0.037 0.000 1.079 122 K CB 1.047 33.586 32.500 0.064 0.000 0.857 122 K HN -0.284 7.962 8.250 0.116 0.074 0.535 123 I N -1.559 119.009 120.570 -0.003 0.000 2.382 123 I HA 0.177 4.225 4.170 -0.203 0.000 0.286 123 I C -0.707 175.362 176.117 -0.080 0.000 1.002 123 I CA -2.391 58.831 61.300 -0.131 0.000 1.135 123 I CB -0.278 37.580 38.000 -0.236 0.000 1.288 123 I HN -0.637 7.610 8.210 0.063 0.000 0.448 124 R N 7.469 127.898 120.500 -0.118 0.000 2.075 124 R HA -0.315 4.028 4.340 0.006 0.000 0.232 124 R C -0.949 175.357 176.300 0.011 0.000 1.126 124 R CA 3.206 59.281 56.100 -0.042 0.000 0.963 124 R CB 0.907 31.160 30.300 -0.078 0.000 0.858 124 R HN 0.059 8.227 8.270 -0.171 0.000 0.435 125 A N -5.396 117.375 122.820 -0.081 0.000 2.549 125 A HA 0.528 5.213 4.320 0.187 -0.253 0.297 125 A C -2.735 174.789 177.584 -0.101 0.000 1.061 125 A CA -0.879 51.172 52.037 0.023 0.000 0.690 125 A CB 3.090 22.063 19.000 -0.045 0.000 1.287 125 A HN -0.882 7.145 8.150 -0.204 0.000 0.402 126 W N -0.600 120.750 121.300 0.083 0.000 2.702 126 W HA 0.363 5.208 4.660 0.028 -0.167 0.331 126 W C -1.173 175.405 176.519 0.098 0.000 1.049 126 W CA -1.549 55.831 57.345 0.059 0.000 1.230 126 W CB 3.726 33.213 29.460 0.046 0.000 1.408 126 W HN 0.644 9.080 8.180 0.427 0.000 0.492 127 D N 4.353 124.946 120.400 0.323 0.000 2.383 127 D HA 0.156 5.099 4.640 0.298 -0.125 0.245 127 D C 0.291 176.712 176.300 0.201 0.000 1.263 127 D CA 0.432 54.588 54.000 0.260 0.000 0.936 127 D CB -0.980 39.949 40.800 0.215 0.000 1.053 127 D HN 0.307 8.842 8.370 0.275 0.000 0.507 128 V N 4.948 124.923 119.914 0.102 0.000 2.346 128 V HA -0.125 3.923 4.120 -0.121 0.000 0.244 128 V C -0.451 175.529 176.094 -0.189 0.000 1.037 128 V CA 2.860 65.050 62.300 -0.184 0.000 1.029 128 V CB 0.601 32.026 31.823 -0.664 0.000 0.663 128 V HN 0.239 8.535 8.190 0.177 0.000 0.454 129 V N -3.067 116.792 119.914 -0.092 0.000 2.540 129 V HA 0.352 4.659 4.120 0.027 -0.171 0.302 129 V C -1.920 174.260 176.094 0.143 0.000 1.035 129 V CA -2.027 60.294 62.300 0.035 0.000 0.873 129 V CB 2.108 33.964 31.823 0.055 0.000 0.992 129 V HN -0.980 7.200 8.190 -0.016 0.000 0.428 130 N N 5.652 124.439 118.700 0.144 0.000 2.342 130 N HA 0.351 5.304 4.740 0.096 -0.155 0.293 130 N C 0.355 176.047 175.510 0.303 0.000 1.026 130 N CA -0.638 52.460 53.050 0.080 0.000 0.857 130 N CB 1.481 39.760 38.487 -0.347 0.000 1.256 130 N HN 0.064 8.551 8.380 0.180 0.000 0.484 131 E N 2.973 123.364 120.200 0.319 0.000 2.320 131 E HA -0.282 4.078 4.350 0.017 0.000 0.234 131 E C -0.537 176.326 176.600 0.438 0.000 1.183 131 E CA 0.158 56.826 56.400 0.446 0.000 0.713 131 E CB -1.345 28.795 29.700 0.732 0.000 1.226 131 E HN 0.752 nan 8.360 nan 0.000 0.382 132 A N -2.148 120.894 122.820 0.369 0.000 2.169 132 A HA 0.061 4.536 4.320 0.260 0.000 0.212 132 A C -0.924 176.655 177.584 -0.007 0.000 1.153 132 A CA 0.721 52.890 52.037 0.219 0.000 0.756 132 A CB 0.759 19.848 19.000 0.147 0.000 0.813 132 A HN 0.262 8.651 8.150 0.398 0.000 0.471 133 F N -3.061 116.967 119.950 0.130 0.000 2.450 133 F HA 0.429 5.129 4.527 0.092 -0.118 0.332 133 F C -0.891 174.925 175.800 0.027 0.000 1.093 133 F CA -0.442 57.602 58.000 0.073 0.000 1.003 133 F CB 2.451 41.477 39.000 0.044 0.000 1.151 133 F HN -0.837 7.874 8.300 0.438 -0.148 0.474 134 N N 1.440 120.243 118.700 0.172 0.000 2.381 134 N HA -0.024 4.779 4.740 0.105 0.000 0.254 134 N C 1.352 176.930 175.510 0.113 0.000 1.264 134 N CA -0.594 52.525 53.050 0.116 0.000 0.942 134 N CB 1.308 39.837 38.487 0.070 0.000 1.190 134 N HN 0.126 8.589 8.380 0.140 0.000 0.495 135 E N 0.155 120.406 120.200 0.085 0.000 2.204 135 E HA -0.320 4.085 4.350 0.093 0.000 0.195 135 E C 0.172 176.704 176.600 -0.113 0.000 0.990 135 E CA 3.322 59.753 56.400 0.052 0.000 0.821 135 E CB -0.326 29.459 29.700 0.142 0.000 0.750 135 E HN 0.520 8.937 8.360 0.095 0.000 0.477 136 D N -6.839 113.529 120.400 -0.054 0.000 2.340 136 D HA -0.112 4.426 4.640 -0.170 0.000 0.220 136 D C 1.006 177.273 176.300 -0.055 0.000 1.039 136 D CA -0.561 53.384 54.000 -0.091 0.000 0.866 136 D CB -0.776 39.997 40.800 -0.044 0.000 0.913 136 D HN -0.479 7.856 8.370 -0.003 0.033 0.523 137 G N -0.526 108.285 108.800 0.018 0.000 2.199 137 G HA2 -0.430 3.629 3.960 0.166 0.000 0.254 137 G HA3 -0.430 3.550 3.960 0.034 0.000 0.254 137 G C -0.279 174.751 174.900 0.217 0.000 0.982 137 G CA 0.306 45.475 45.100 0.114 0.000 0.632 137 G HN -0.211 7.912 8.290 0.033 0.187 0.529 138 S N 0.202 115.973 115.700 0.118 0.000 2.624 138 S HA 0.006 4.516 4.470 0.067 0.000 0.263 138 S C -0.064 174.555 174.600 0.032 0.000 1.287 138 S CA -0.086 58.156 58.200 0.071 0.000 0.990 138 S CB 1.786 65.002 63.200 0.028 0.000 0.950 138 S HN -0.394 8.209 8.310 0.077 -0.247 0.561 139 L N 0.243 121.427 121.223 -0.065 0.000 2.380 139 L HA 0.120 4.370 4.340 -0.349 -0.120 0.273 139 L C 0.596 177.434 176.870 -0.052 0.000 1.138 139 L CA -0.139 54.603 54.840 -0.163 0.000 0.832 139 L CB 1.155 43.150 42.059 -0.108 0.000 1.124 139 L HN 0.227 8.434 8.230 -0.038 0.000 0.454 140 R N 4.799 125.270 120.500 -0.050 0.000 2.522 140 R HA -0.155 4.322 4.340 -0.030 -0.155 0.284 140 R C 1.035 177.314 176.300 -0.035 0.000 1.032 140 R CA 0.622 56.700 56.100 -0.036 0.000 1.049 140 R CB 0.551 30.819 30.300 -0.053 0.000 0.956 140 R HN 0.359 8.473 8.270 -0.088 0.104 0.422 141 Q N 7.919 127.686 119.800 -0.054 0.000 2.534 141 Q HA 0.094 4.444 4.340 0.017 0.000 0.223 141 Q C -0.404 175.533 176.000 -0.105 0.000 1.239 141 Q CA -0.300 55.469 55.803 -0.056 0.000 0.936 141 Q CB -0.329 28.380 28.738 -0.048 0.000 1.457 141 Q HN 0.378 nan 8.270 nan 0.000 0.547 142 T N -1.904 112.580 114.554 -0.116 0.000 2.923 142 T HA 0.297 4.544 4.350 -0.171 0.000 0.281 142 T C 0.577 175.137 174.700 -0.234 0.000 0.995 142 T CA -1.909 60.095 62.100 -0.159 0.000 0.985 142 T CB 2.415 71.239 68.868 -0.073 0.000 1.114 142 T HN -0.200 7.956 8.240 -0.082 0.035 0.548 143 V N 0.749 120.440 119.914 -0.371 0.000 2.392 143 V HA -0.297 3.613 4.120 -0.351 0.000 0.249 143 V C 0.700 176.462 176.094 -0.554 0.000 1.059 143 V CA 2.839 64.843 62.300 -0.493 0.000 1.051 143 V CB -0.279 31.145 31.823 -0.665 0.000 0.658 143 V HN 0.392 8.361 8.190 -0.368 0.000 0.455 144 F N -2.007 117.707 119.950 -0.394 0.000 2.102 144 F HA -0.294 4.000 4.527 -0.388 0.000 0.298 144 F C 2.272 177.749 175.800 -0.538 0.000 1.105 144 F CA 4.247 61.901 58.000 -0.577 0.000 1.239 144 F CB -0.892 37.482 39.000 -1.043 0.000 0.991 144 F HN -0.904 6.959 8.300 -0.701 0.016 0.474 145 L N -0.155 120.875 121.223 -0.321 0.000 2.056 145 L HA -0.366 4.067 4.340 0.155 0.000 0.207 145 L C 1.512 178.375 176.870 -0.012 0.000 1.078 145 L CA 2.891 57.723 54.840 -0.013 0.000 0.749 145 L CB -0.112 41.995 42.059 0.081 0.000 0.901 145 L HN -0.702 7.316 8.230 -0.353 0.000 0.433 146 N N -1.373 117.277 118.700 -0.084 0.000 2.188 146 N HA -0.263 4.454 4.740 -0.037 0.000 0.184 146 N C 1.947 177.423 175.510 -0.056 0.000 1.018 146 N CA 2.825 55.835 53.050 -0.067 0.000 0.858 146 N CB -0.025 38.400 38.487 -0.103 0.000 0.989 146 N HN -0.173 8.127 8.380 -0.133 0.000 0.426 147 V N -2.832 117.033 119.914 -0.082 0.000 2.672 147 V HA -0.080 4.012 4.120 -0.047 0.000 0.242 147 V C 0.895 176.989 176.094 -0.001 0.000 1.059 147 V CA 1.616 63.882 62.300 -0.057 0.000 1.081 147 V CB 0.594 32.354 31.823 -0.105 0.000 0.752 147 V HN -0.444 7.675 8.190 -0.120 0.000 0.472 148 I N -5.562 115.027 120.570 0.030 0.000 2.703 148 I HA -0.133 4.087 4.170 0.083 0.000 0.259 148 I C -0.419 175.771 176.117 0.122 0.000 1.151 148 I CA 1.452 62.810 61.300 0.098 0.000 1.470 148 I CB 1.151 39.252 38.000 0.169 0.000 1.112 148 I HN -0.588 7.624 8.210 0.004 0.000 0.437 149 G N -2.930 105.952 108.800 0.136 0.000 2.631 149 G HA2 -0.324 3.818 3.960 0.128 0.000 0.504 149 G HA3 -0.324 3.712 3.960 0.127 0.000 0.504 149 G C -0.538 174.521 174.900 0.265 0.000 1.306 149 G CA -0.688 44.506 45.100 0.156 0.000 0.897 149 G HN -0.874 7.392 8.290 0.111 0.092 0.520 150 E N 0.169 120.493 120.200 0.206 0.000 2.219 150 E HA -0.372 4.120 4.350 0.237 0.000 0.198 150 E C 1.312 178.000 176.600 0.146 0.000 0.998 150 E CA 3.022 59.543 56.400 0.203 0.000 0.818 150 E CB -0.174 29.629 29.700 0.171 0.000 0.741 150 E HN 0.435 8.891 8.360 0.160 0.000 0.477 151 D N -1.432 119.054 120.400 0.143 0.000 2.350 151 D HA -0.159 4.520 4.640 0.066 0.000 0.216 151 D C 1.683 178.023 176.300 0.066 0.000 0.968 151 D CA 2.022 56.076 54.000 0.089 0.000 0.894 151 D CB -0.909 39.950 40.800 0.097 0.000 0.909 151 D HN 0.194 8.614 8.370 0.154 0.043 0.520 152 Y N -0.909 119.418 120.300 0.045 0.000 2.256 152 Y HA -0.406 4.163 4.550 0.032 0.000 0.288 152 Y C 1.013 176.885 175.900 -0.047 0.000 1.155 152 Y CA 2.854 60.970 58.100 0.025 0.000 1.203 152 Y CB -0.883 37.624 38.460 0.079 0.000 0.980 152 Y HN -0.419 7.993 8.280 0.320 0.060 0.530 153 I N 0.517 120.646 120.570 -0.735 0.000 2.133 153 I HA -0.374 3.403 4.170 -0.654 0.000 0.238 153 I C -0.439 175.466 176.117 -0.353 0.000 1.074 153 I CA 5.123 65.997 61.300 -0.711 0.000 1.342 153 I CB -2.566 34.830 38.000 -1.008 0.000 1.053 153 I HN -0.835 6.901 8.210 -0.749 0.024 0.404 154 P HA -0.294 4.005 4.420 -0.202 0.000 0.216 154 P C 0.924 178.194 177.300 -0.050 0.000 1.153 154 P CA 2.964 65.956 63.100 -0.180 0.000 0.858 154 P CB -0.495 31.139 31.700 -0.111 0.000 0.789 155 I N -4.133 116.414 120.570 -0.038 0.000 2.226 155 I HA -0.504 3.671 4.170 0.008 0.000 0.245 155 I C 1.770 177.870 176.117 -0.028 0.000 1.100 155 I CA 3.406 64.706 61.300 -0.000 0.000 1.374 155 I CB -0.136 37.889 38.000 0.042 0.000 1.057 155 I HN -0.423 7.758 8.210 -0.049 0.000 0.413 156 A N 0.431 123.204 122.820 -0.077 0.000 1.883 156 A HA -0.377 3.860 4.320 -0.138 0.000 0.217 156 A C 1.865 179.296 177.584 -0.254 0.000 1.186 156 A CA 3.209 55.137 52.037 -0.183 0.000 0.624 156 A CB -0.769 18.067 19.000 -0.273 0.000 0.822 156 A HN -0.209 7.894 8.150 -0.077 0.000 0.444 157 F N -1.566 118.299 119.950 -0.142 0.000 2.146 157 F HA -0.482 3.989 4.527 -0.093 0.000 0.298 157 F C 2.708 178.459 175.800 -0.082 0.000 1.096 157 F CA 3.710 61.640 58.000 -0.116 0.000 1.275 157 F CB -0.774 38.134 39.000 -0.153 0.000 1.008 157 F HN -0.362 7.928 8.300 -0.017 0.000 0.480 158 Q N -0.227 119.622 119.800 0.082 0.000 2.124 158 Q HA -0.223 4.127 4.340 0.017 0.000 0.202 158 Q C 2.666 178.667 176.000 0.002 0.000 0.977 158 Q CA 2.257 58.084 55.803 0.040 0.000 0.850 158 Q CB -0.374 28.380 28.738 0.026 0.000 0.901 158 Q HN 0.421 nan 8.270 nan 0.000 0.429 159 T N 2.431 116.968 114.554 -0.029 0.000 2.746 159 T HA -0.383 3.944 4.350 -0.038 0.000 0.267 159 T C 1.297 175.945 174.700 -0.087 0.000 1.039 159 T CA 3.224 65.292 62.100 -0.054 0.000 1.142 159 T CB 0.170 69.001 68.868 -0.063 0.000 0.866 159 T HN -0.287 7.934 8.240 -0.031 0.000 0.444 160 A N 1.640 124.387 122.820 -0.122 0.000 1.902 160 A HA -0.188 4.003 4.320 -0.215 0.000 0.217 160 A C 1.620 179.162 177.584 -0.070 0.000 1.181 160 A CA 2.826 54.768 52.037 -0.158 0.000 0.623 160 A CB -0.521 18.351 19.000 -0.214 0.000 0.818 160 A HN -0.368 7.705 8.150 -0.127 0.000 0.443 161 R N -0.676 119.822 120.500 -0.004 0.000 2.091 161 R HA -0.320 4.048 4.340 0.045 0.000 0.238 161 R C 1.651 177.954 176.300 0.005 0.000 1.136 161 R CA 2.299 58.416 56.100 0.028 0.000 0.959 161 R CB -0.372 29.959 30.300 0.052 0.000 0.856 161 R HN -0.412 7.862 8.270 0.007 0.000 0.437 162 A N -3.145 119.668 122.820 -0.012 0.000 1.930 162 A HA -0.095 4.220 4.320 -0.008 0.000 0.217 162 A C 1.680 179.244 177.584 -0.034 0.000 1.175 162 A CA 2.200 54.226 52.037 -0.018 0.000 0.627 162 A CB -0.657 18.331 19.000 -0.020 0.000 0.815 162 A HN -0.637 7.493 8.150 -0.016 0.011 0.443 163 A N -3.314 119.469 122.820 -0.061 0.000 1.929 163 A HA -0.184 4.089 4.320 -0.078 0.000 0.216 163 A C -1.041 176.510 177.584 -0.055 0.000 1.176 163 A CA 1.612 53.599 52.037 -0.083 0.000 0.628 163 A CB 1.057 19.969 19.000 -0.147 0.000 0.816 163 A HN -0.672 7.347 8.150 -0.070 0.089 0.444 164 D N -5.769 114.616 120.400 -0.027 0.000 2.337 164 D HA 0.410 5.063 4.640 0.021 0.000 0.238 164 D C -2.152 174.181 176.300 0.054 0.000 1.331 164 D CA -2.152 51.864 54.000 0.026 0.000 0.967 164 D CB 1.410 42.256 40.800 0.077 0.000 1.382 164 D HN -0.669 7.680 8.370 -0.034 0.000 0.549 165 P HA 0.083 4.599 4.420 0.057 -0.062 0.237 165 P C -0.215 177.126 177.300 0.069 0.000 1.178 165 P CA 0.737 63.868 63.100 0.053 0.000 0.766 165 P CB 0.524 32.245 31.700 0.035 0.000 0.876 166 N N -1.822 116.924 118.700 0.077 0.000 2.354 166 N HA -0.148 4.635 4.740 0.071 0.000 0.179 166 N C -0.744 174.835 175.510 0.115 0.000 1.021 166 N CA 1.581 54.682 53.050 0.084 0.000 0.887 166 N CB 0.475 39.007 38.487 0.075 0.000 0.974 166 N HN -0.329 8.277 8.380 0.074 -0.181 0.437 167 A N -0.780 122.135 122.820 0.158 0.000 2.340 167 A HA -0.117 4.434 4.320 0.186 -0.120 0.268 167 A C -1.493 176.223 177.584 0.220 0.000 1.100 167 A CA -0.267 51.901 52.037 0.218 0.000 0.803 167 A CB 1.012 20.238 19.000 0.376 0.000 1.043 167 A HN -0.804 7.405 8.150 0.155 0.035 0.488 168 K N 0.394 120.941 120.400 0.246 0.000 2.276 168 K HA 0.118 4.738 4.320 0.220 -0.169 0.283 168 K C -0.696 176.151 176.600 0.413 0.000 1.044 168 K CA -1.921 54.539 56.287 0.289 0.000 0.944 168 K CB 0.601 33.302 32.500 0.334 0.000 1.012 168 K HN -0.192 8.195 8.250 0.228 0.000 0.472 169 L N 3.478 124.913 121.223 0.352 0.000 2.287 169 L HA 0.304 4.935 4.340 0.485 0.000 0.287 169 L C -1.087 176.079 176.870 0.494 0.000 1.022 169 L CA -0.873 54.239 54.840 0.454 0.000 0.814 169 L CB 0.570 42.894 42.059 0.442 0.000 1.217 169 L HN 0.143 8.844 8.230 0.249 -0.321 0.420 170 Y N 2.362 122.887 120.300 0.375 0.000 2.446 170 Y HA 0.493 5.405 4.550 0.261 -0.205 0.338 170 Y C -0.780 175.380 175.900 0.434 0.000 1.055 170 Y CA -1.323 56.968 58.100 0.318 0.000 1.101 170 Y CB 3.762 42.348 38.460 0.209 0.000 1.221 170 Y HN 0.590 9.280 8.280 0.683 0.000 0.460 171 I N 1.785 122.648 120.570 0.488 0.000 2.385 171 I HA 0.483 5.102 4.170 0.470 -0.167 0.294 171 I C -2.217 174.097 176.117 0.329 0.000 0.988 171 I CA -1.648 59.912 61.300 0.433 0.000 1.265 171 I CB 2.554 40.775 38.000 0.368 0.000 1.388 171 I HN -0.052 8.345 8.210 0.312 0.000 0.480 172 N N 8.176 127.038 118.700 0.271 0.000 2.258 172 N HA 0.615 5.667 4.740 0.195 -0.195 0.299 172 N C -2.048 173.562 175.510 0.166 0.000 1.047 172 N CA -0.917 52.248 53.050 0.192 0.000 0.814 172 N CB 3.765 42.335 38.487 0.139 0.000 1.413 172 N HN -0.051 8.491 8.380 0.270 0.000 0.478 173 D N 2.965 123.440 120.400 0.125 0.000 2.639 173 D HA 0.320 5.057 4.640 0.162 0.000 0.271 173 D C -2.751 173.617 176.300 0.114 0.000 1.254 173 D CA -1.107 52.961 54.000 0.113 0.000 0.810 173 D CB 4.353 45.200 40.800 0.078 0.000 1.351 173 D HN -0.039 8.393 8.370 0.103 0.000 0.427 174 Y N -2.508 117.860 120.300 0.113 0.000 2.602 174 Y HA 0.314 4.895 4.550 0.053 0.000 0.330 174 Y C -0.477 175.489 175.900 0.110 0.000 1.114 174 Y CA -2.161 56.001 58.100 0.103 0.000 1.182 174 Y CB 2.187 40.752 38.460 0.175 0.000 1.305 174 Y HN 0.143 8.336 8.280 -0.144 0.000 0.502 175 N N -3.219 115.632 118.700 0.251 0.000 2.735 175 N HA -0.411 4.495 4.740 0.027 -0.150 0.248 175 N C -1.577 173.950 175.510 0.028 0.000 1.083 175 N CA 0.738 53.835 53.050 0.078 0.000 0.703 175 N CB -1.404 37.149 38.487 0.110 0.000 1.005 175 N HN 0.530 9.116 8.380 0.344 0.000 0.550 176 L N -5.677 115.561 121.223 0.025 0.000 3.034 176 L HA 0.174 4.542 4.340 0.046 0.000 0.245 176 L C 0.032 176.900 176.870 -0.004 0.000 1.295 176 L CA -0.769 54.080 54.840 0.016 0.000 1.068 176 L CB -0.817 41.238 42.059 -0.006 0.000 1.426 176 L HN -0.184 8.032 8.230 0.038 0.038 0.531 177 D N -1.147 119.234 120.400 -0.032 0.000 2.379 177 D HA 0.097 4.719 4.640 -0.030 0.000 0.208 177 D C -0.554 175.721 176.300 -0.041 0.000 1.065 177 D CA 0.386 54.361 54.000 -0.042 0.000 0.848 177 D CB 0.846 41.613 40.800 -0.054 0.000 0.949 177 D HN -0.047 8.211 8.370 -0.060 0.076 0.509 178 S N -1.686 113.996 115.700 -0.030 0.000 2.532 178 S HA 0.293 4.760 4.470 -0.005 0.000 0.299 178 S C 0.274 174.902 174.600 0.047 0.000 1.105 178 S CA -1.871 56.330 58.200 0.002 0.000 1.018 178 S CB 1.471 64.665 63.200 -0.010 0.000 1.021 178 S HN -0.779 7.514 8.310 -0.029 0.000 0.483 179 A N 6.668 129.506 122.820 0.031 0.000 2.015 179 A HA -0.111 4.223 4.320 0.022 0.000 0.219 179 A C 0.312 177.922 177.584 0.044 0.000 1.163 179 A CA 2.344 54.398 52.037 0.028 0.000 0.646 179 A CB -0.122 18.884 19.000 0.011 0.000 0.806 179 A HN 0.802 8.964 8.150 0.019 0.000 0.448 180 S N -4.025 111.713 115.700 0.064 0.000 2.575 180 S HA -0.002 4.491 4.470 0.039 0.000 0.215 180 S C -0.315 174.351 174.600 0.110 0.000 0.966 180 S CA 0.521 58.760 58.200 0.065 0.000 0.911 180 S CB 0.428 63.662 63.200 0.056 0.000 0.780 180 S HN -0.656 7.656 8.310 0.065 0.037 0.514 181 Y N 4.889 125.180 120.300 -0.014 0.000 2.377 181 Y HA 0.054 4.601 4.550 -0.004 0.000 0.330 181 Y C -1.477 174.409 175.900 -0.023 0.000 1.108 181 Y CA -1.259 56.834 58.100 -0.012 0.000 1.308 181 Y CB 1.174 39.630 38.460 -0.006 0.000 1.216 181 Y HN -0.975 7.385 8.280 0.230 0.059 0.518 182 P HA -0.257 4.062 4.420 -0.169 0.000 0.218 182 P C 0.885 178.042 177.300 -0.238 0.000 1.148 182 P CA 1.820 64.751 63.100 -0.282 0.000 0.822 182 P CB 0.591 32.098 31.700 -0.321 0.000 0.784 183 K N -2.823 117.395 120.400 -0.304 0.000 2.097 183 K HA -0.324 3.910 4.320 -0.144 0.000 0.206 183 K C 1.960 178.488 176.600 -0.119 0.000 1.049 183 K CA 3.696 59.906 56.287 -0.128 0.000 0.933 183 K CB -0.571 31.953 32.500 0.040 0.000 0.717 183 K HN 0.001 7.865 8.250 -0.601 0.025 0.442 184 T N 1.986 116.539 114.554 -0.002 0.000 2.708 184 T HA -0.377 3.937 4.350 -0.060 0.000 0.266 184 T C 2.786 177.430 174.700 -0.093 0.000 1.037 184 T CA 3.592 65.674 62.100 -0.029 0.000 1.146 184 T CB -0.503 68.391 68.868 0.044 0.000 0.865 184 T HN -0.308 7.970 8.240 0.095 0.019 0.435 185 Q N 1.404 121.156 119.800 -0.080 0.000 2.119 185 Q HA -0.098 4.252 4.340 0.017 0.000 0.201 185 Q C 2.040 177.964 176.000 -0.127 0.000 0.972 185 Q CA 1.209 56.959 55.803 -0.088 0.000 0.847 185 Q CB -0.173 28.524 28.738 -0.068 0.000 0.903 185 Q HN 0.257 nan 8.270 nan 0.000 0.433 186 A N 0.793 123.519 122.820 -0.157 0.000 1.873 186 A HA -0.233 4.018 4.320 -0.115 0.000 0.215 186 A C 1.715 179.121 177.584 -0.297 0.000 1.186 186 A CA 2.580 54.518 52.037 -0.166 0.000 0.616 186 A CB -0.260 18.687 19.000 -0.089 0.000 0.823 186 A HN -0.209 7.832 8.150 -0.153 0.017 0.442 187 I N -1.612 118.648 120.570 -0.517 0.000 2.315 187 I HA -0.477 3.221 4.170 -0.786 0.000 0.248 187 I C 1.301 177.269 176.117 -0.248 0.000 1.117 187 I CA 3.142 64.075 61.300 -0.612 0.000 1.404 187 I CB 0.383 37.970 38.000 -0.688 0.000 1.071 187 I HN -0.567 7.355 8.210 -0.480 0.000 0.419 188 V N 0.387 120.191 119.914 -0.184 0.000 2.295 188 V HA -0.545 3.516 4.120 -0.098 0.000 0.246 188 V C 2.053 178.076 176.094 -0.119 0.000 1.049 188 V CA 4.137 66.366 62.300 -0.118 0.000 1.024 188 V CB -0.989 30.778 31.823 -0.093 0.000 0.648 188 V HN -0.596 7.469 8.190 -0.195 0.009 0.447 189 N N -0.475 118.144 118.700 -0.135 0.000 2.120 189 N HA -0.281 4.388 4.740 -0.118 0.000 0.188 189 N C 1.862 177.249 175.510 -0.204 0.000 1.024 189 N CA 2.736 55.702 53.050 -0.139 0.000 0.852 189 N CB -0.313 38.101 38.487 -0.122 0.000 1.003 189 N HN -0.313 7.983 8.380 -0.139 0.000 0.424 190 R N -1.887 118.458 120.500 -0.260 0.000 2.075 190 R HA -0.101 3.866 4.340 -0.621 0.000 0.232 190 R C 1.954 177.939 176.300 -0.525 0.000 1.126 190 R CA 1.300 57.068 56.100 -0.554 0.000 0.963 190 R CB 0.004 29.928 30.300 -0.627 0.000 0.858 190 R HN -0.358 7.786 8.270 -0.210 0.000 0.435 191 V N 0.784 120.622 119.914 -0.127 0.000 2.343 191 V HA -0.442 3.891 4.120 0.355 0.000 0.247 191 V C 1.817 177.918 176.094 0.010 0.000 1.051 191 V CA 4.017 66.376 62.300 0.100 0.000 1.036 191 V CB -0.920 30.952 31.823 0.082 0.000 0.654 191 V HN -0.007 8.117 8.190 -0.110 0.000 0.451 192 K N 0.033 120.396 120.400 -0.062 0.000 2.032 192 K HA -0.317 3.981 4.320 -0.037 0.000 0.209 192 K C 3.223 179.787 176.600 -0.059 0.000 1.048 192 K CA 3.403 59.656 56.287 -0.057 0.000 0.927 192 K CB -0.518 31.939 32.500 -0.073 0.000 0.712 192 K HN -0.377 7.822 8.250 -0.085 0.000 0.441 193 Q N 0.668 120.388 119.800 -0.133 0.000 2.079 193 Q HA -0.193 4.157 4.340 0.017 0.000 0.200 193 Q C 2.647 178.618 176.000 -0.048 0.000 0.974 193 Q CA 2.040 57.758 55.803 -0.142 0.000 0.840 193 Q CB -0.018 28.555 28.738 -0.274 0.000 0.898 193 Q HN 0.114 nan 8.270 nan 0.000 0.430 194 W N -0.818 120.454 121.300 -0.046 0.000 2.355 194 W HA -0.278 4.352 4.660 -0.050 0.000 0.309 194 W C 2.153 178.626 176.519 -0.077 0.000 1.206 194 W CA 1.620 58.925 57.345 -0.067 0.000 1.284 194 W CB -0.166 29.233 29.460 -0.103 0.000 1.145 194 W HN -0.070 8.046 8.180 -0.107 0.000 0.502 195 R N -1.931 118.654 120.500 0.140 0.000 2.115 195 R HA -0.187 4.339 4.340 0.032 -0.167 0.230 195 R C 3.138 179.459 176.300 0.035 0.000 1.111 195 R CA 3.146 59.274 56.100 0.047 0.000 0.976 195 R CB -0.161 30.143 30.300 0.007 0.000 0.870 195 R HN -0.063 8.290 8.270 0.139 0.000 0.445 196 A N -0.199 122.639 122.820 0.029 0.000 2.019 196 A HA -0.123 4.202 4.320 0.010 0.000 0.219 196 A C 0.658 178.260 177.584 0.029 0.000 1.164 196 A CA 2.420 54.467 52.037 0.016 0.000 0.644 196 A CB -0.717 18.283 19.000 -0.001 0.000 0.805 196 A HN -0.255 7.912 8.150 0.028 0.000 0.449 197 A N -3.506 119.347 122.820 0.056 0.000 2.278 197 A HA 0.056 4.405 4.320 0.048 0.000 0.212 197 A C -0.032 177.586 177.584 0.056 0.000 1.213 197 A CA -0.353 51.723 52.037 0.065 0.000 0.840 197 A CB -0.072 18.991 19.000 0.105 0.000 0.866 197 A HN -0.434 7.615 8.150 0.074 0.145 0.489 198 G N -1.946 106.880 108.800 0.043 0.000 2.157 198 G HA2 -0.313 3.659 3.960 0.020 0.000 0.248 198 G HA3 -0.313 3.663 3.960 0.027 0.000 0.248 198 G C -0.323 174.589 174.900 0.019 0.000 0.979 198 G CA 0.038 45.154 45.100 0.027 0.000 0.650 198 G HN -0.491 7.627 8.290 0.042 0.198 0.529 199 V N 2.655 122.581 119.914 0.019 0.000 2.521 199 V HA 0.182 4.292 4.120 -0.017 0.000 0.286 199 V C -1.315 174.735 176.094 -0.073 0.000 1.034 199 V CA -2.366 59.914 62.300 -0.033 0.000 1.045 199 V CB 0.149 31.917 31.823 -0.091 0.000 0.974 199 V HN -0.520 7.649 8.190 0.047 0.049 0.480 200 P HA 0.107 4.508 4.420 -0.032 0.000 0.238 200 P C -2.076 175.163 177.300 -0.102 0.000 1.794 200 P CA -0.576 62.509 63.100 -0.025 0.000 1.088 200 P CB -2.066 29.667 31.700 0.054 0.000 1.923 201 I N 4.102 124.507 120.570 -0.274 0.000 2.306 201 I HA -0.013 3.882 4.170 -0.458 0.000 0.288 201 I C -0.655 175.345 176.117 -0.196 0.000 1.036 201 I CA -0.245 60.808 61.300 -0.411 0.000 1.221 201 I CB 0.447 38.091 38.000 -0.592 0.000 1.385 201 I HN -0.418 7.604 8.210 -0.226 0.052 0.472 202 D N 6.639 126.963 120.400 -0.128 0.000 2.305 202 D HA 0.025 4.601 4.640 -0.107 0.000 0.206 202 D C -0.336 175.769 176.300 -0.325 0.000 0.974 202 D CA 1.712 55.627 54.000 -0.141 0.000 0.871 202 D CB 1.434 42.211 40.800 -0.038 0.000 0.947 202 D HN 0.091 8.426 8.370 -0.058 0.000 0.516 203 G N -3.787 104.677 108.800 -0.559 0.000 2.696 203 G HA2 0.592 4.425 3.960 -0.624 0.000 0.295 203 G HA3 0.592 3.325 3.960 -2.045 0.000 0.295 203 G C -3.270 171.307 174.900 -0.538 0.000 1.398 203 G CA -0.190 44.327 45.100 -0.972 0.000 0.920 203 G HN -0.647 7.385 8.290 -0.429 0.000 0.492 204 I N 0.446 120.866 120.570 -0.250 0.000 2.354 204 I HA 0.510 4.879 4.170 0.069 -0.157 0.292 204 I C -1.067 175.182 176.117 0.219 0.000 0.989 204 I CA -1.538 59.773 61.300 0.019 0.000 1.188 204 I CB 2.534 40.535 38.000 0.002 0.000 1.342 204 I HN -0.348 7.716 8.210 -0.243 0.000 0.457 205 G N 5.485 114.495 108.800 0.350 0.000 2.343 205 G HA2 0.449 4.757 3.960 0.295 0.000 0.319 205 G HA3 0.449 4.698 3.960 0.285 -0.118 0.319 205 G C -2.568 172.404 174.900 0.119 0.000 1.126 205 G CA -1.560 43.710 45.100 0.283 0.000 0.889 205 G HN 0.760 9.251 8.290 0.335 0.000 0.457 206 S N 3.156 118.890 115.700 0.056 0.000 2.498 206 S HA 0.529 5.158 4.470 0.021 -0.147 0.324 206 S C 2.267 176.832 174.600 -0.058 0.000 1.071 206 S CA -1.879 56.326 58.200 0.008 0.000 1.113 206 S CB 0.759 63.959 63.200 -0.001 0.000 0.976 206 S HN 0.160 8.507 8.310 0.062 0.000 0.462 207 Q N 8.252 128.005 119.800 -0.078 0.000 2.096 207 Q HA -0.188 4.162 4.340 0.017 0.000 0.204 207 Q C 0.102 175.883 176.000 -0.365 0.000 0.982 207 Q CA 1.575 57.219 55.803 -0.266 0.000 0.850 207 Q CB 0.297 28.911 28.738 -0.206 0.000 0.901 207 Q HN 0.708 nan 8.270 nan 0.000 0.422 208 T N -3.579 110.858 114.554 -0.195 0.000 4.047 208 T HA -0.414 4.073 4.350 -0.070 -0.179 0.362 208 T C -1.891 172.699 174.700 -0.185 0.000 0.757 208 T CA -0.228 61.784 62.100 -0.147 0.000 1.975 208 T CB -0.895 67.899 68.868 -0.123 0.000 1.820 208 T HN 0.015 8.200 8.240 -0.092 0.000 0.851 209 H N 0.273 119.372 119.070 0.050 0.000 2.969 209 H HA 0.297 5.078 4.556 0.114 -0.157 0.269 209 H C -0.034 175.323 175.328 0.048 0.000 1.223 209 H CA -0.394 55.713 56.048 0.099 0.000 1.400 209 H CB -0.585 29.295 29.762 0.197 0.000 1.500 209 H HN -0.062 8.217 8.280 -0.003 0.000 0.486 210 L N 4.923 126.200 121.223 0.091 0.000 2.344 210 L HA 0.369 4.850 4.340 0.022 -0.128 0.272 210 L C 0.155 177.029 176.870 0.007 0.000 1.035 210 L CA -0.914 53.936 54.840 0.017 0.000 0.807 210 L CB 2.218 44.245 42.059 -0.053 0.000 1.237 210 L HN 0.101 8.378 8.230 0.078 0.000 0.442 211 S N 2.205 117.900 115.700 -0.008 0.000 2.693 211 S HA 0.124 4.584 4.470 -0.016 0.000 0.276 211 S C -1.139 173.448 174.600 -0.022 0.000 1.192 211 S CA -0.806 57.384 58.200 -0.016 0.000 0.994 211 S CB 1.081 64.271 63.200 -0.016 0.000 1.012 211 S HN -0.090 8.555 8.310 -0.008 -0.340 0.550 212 A N -0.045 122.766 122.820 -0.015 0.000 2.546 212 A HA -0.311 4.142 4.320 -0.012 -0.140 0.243 212 A C 1.346 178.922 177.584 -0.012 0.000 1.063 212 A CA 1.095 53.126 52.037 -0.010 0.000 0.757 212 A CB -0.480 18.519 19.000 -0.002 0.000 0.991 212 A HN 0.058 8.200 8.150 -0.013 0.000 0.503 213 G N 2.855 111.648 108.800 -0.012 0.000 2.179 213 G HA2 -0.442 3.541 3.960 -0.006 0.000 0.260 213 G HA3 -0.442 3.514 3.960 -0.007 0.000 0.260 213 G C 1.219 176.108 174.900 -0.018 0.000 0.977 213 G CA 0.624 45.718 45.100 -0.010 0.000 0.641 213 G HN 0.371 9.066 8.290 -0.012 -0.413 0.533 214 Q N 1.141 120.925 119.800 -0.028 0.000 2.451 214 Q HA 0.064 4.414 4.340 0.017 0.000 0.206 214 Q C 2.013 177.990 176.000 -0.038 0.000 0.947 214 Q CA -0.430 55.353 55.803 -0.034 0.000 0.937 214 Q CB -0.088 28.626 28.738 -0.039 0.000 1.025 214 Q HN 0.488 nan 8.270 nan 0.000 0.511 215 G N -0.428 108.348 108.800 -0.041 0.000 2.442 215 G HA2 -0.288 3.639 3.960 -0.054 0.000 0.219 215 G HA3 -0.288 3.647 3.960 -0.041 0.000 0.219 215 G C 0.137 175.023 174.900 -0.023 0.000 1.141 215 G CA 1.435 46.511 45.100 -0.041 0.000 0.763 215 G HN -0.056 8.463 8.290 -0.041 -0.254 0.554 216 A N 1.339 124.149 122.820 -0.016 0.000 1.940 216 A HA -0.260 4.056 4.320 -0.005 0.000 0.219 216 A C 1.862 179.439 177.584 -0.011 0.000 1.176 216 A CA 2.373 54.405 52.037 -0.009 0.000 0.631 216 A CB -0.626 18.371 19.000 -0.005 0.000 0.814 216 A HN -0.399 7.718 8.150 -0.016 0.024 0.446 217 G N -2.875 105.916 108.800 -0.016 0.000 2.471 217 G HA2 -0.179 3.775 3.960 -0.010 0.000 0.219 217 G HA3 -0.179 3.770 3.960 -0.018 0.000 0.219 217 G C 0.940 175.830 174.900 -0.016 0.000 1.125 217 G CA 1.581 46.672 45.100 -0.015 0.000 0.775 217 G HN -0.559 7.701 8.290 -0.019 0.018 0.548 218 V N 2.452 122.354 119.914 -0.021 0.000 2.594 218 V HA -0.323 3.784 4.120 -0.022 0.000 0.253 218 V C 1.554 177.639 176.094 -0.016 0.000 1.069 218 V CA 2.730 65.017 62.300 -0.022 0.000 1.082 218 V CB -0.553 31.252 31.823 -0.030 0.000 0.680 218 V HN -0.555 7.480 8.190 -0.024 0.141 0.469 219 L N -1.455 119.761 121.223 -0.011 0.000 2.127 219 L HA -0.324 4.011 4.340 -0.008 0.000 0.211 219 L C 2.780 179.645 176.870 -0.008 0.000 1.089 219 L CA 2.301 57.137 54.840 -0.008 0.000 0.757 219 L CB -0.598 41.459 42.059 -0.004 0.000 0.899 219 L HN -0.649 7.549 8.230 -0.011 0.026 0.434 220 Q N -1.709 118.087 119.800 -0.007 0.000 2.373 220 Q HA 0.082 4.432 4.340 0.017 0.000 0.210 220 Q C 1.533 177.529 176.000 -0.007 0.000 0.913 220 Q CA 0.757 56.556 55.803 -0.006 0.000 0.911 220 Q CB 0.078 28.814 28.738 -0.003 0.000 1.040 220 Q HN 0.107 nan 8.270 nan 0.000 0.521 221 A N 1.204 124.019 122.820 -0.008 0.000 1.929 221 A HA -0.141 4.176 4.320 -0.005 0.000 0.216 221 A C 1.593 179.169 177.584 -0.013 0.000 1.176 221 A CA 2.410 54.442 52.037 -0.008 0.000 0.628 221 A CB -0.076 18.919 19.000 -0.008 0.000 0.816 221 A HN -0.224 7.920 8.150 -0.009 0.000 0.444 222 L N -0.972 120.242 121.223 -0.014 0.000 2.056 222 L HA -0.103 4.227 4.340 -0.015 0.000 0.207 222 L C -1.331 175.530 176.870 -0.016 0.000 1.078 222 L CA 4.675 59.506 54.840 -0.015 0.000 0.749 222 L CB -2.229 39.820 42.059 -0.017 0.000 0.901 222 L HN -0.249 7.972 8.230 -0.014 0.000 0.433 223 P HA -0.256 4.154 4.420 -0.015 0.000 0.216 223 P C 1.349 178.638 177.300 -0.018 0.000 1.150 223 P CA 2.996 66.087 63.100 -0.015 0.000 0.837 223 P CB -0.339 31.353 31.700 -0.013 0.000 0.786 224 L N -1.935 119.278 121.223 -0.018 0.000 2.017 224 L HA -0.292 4.034 4.340 -0.023 0.000 0.208 224 L C 1.800 178.652 176.870 -0.030 0.000 1.073 224 L CA 3.072 57.898 54.840 -0.023 0.000 0.745 224 L CB -0.323 41.724 42.059 -0.019 0.000 0.894 224 L HN -0.909 7.298 8.230 -0.016 0.014 0.432 225 L N -2.306 118.900 121.223 -0.028 0.000 2.042 225 L HA -0.452 3.862 4.340 -0.043 0.000 0.210 225 L C 2.340 179.190 176.870 -0.033 0.000 1.076 225 L CA 3.195 58.014 54.840 -0.034 0.000 0.749 225 L CB -0.826 41.218 42.059 -0.025 0.000 0.893 225 L HN -0.178 8.037 8.230 -0.024 0.000 0.432 226 A N -3.192 119.612 122.820 -0.026 0.000 2.067 226 A HA -0.230 4.072 4.320 -0.029 0.000 0.219 226 A C 1.582 179.148 177.584 -0.029 0.000 1.158 226 A CA 2.550 54.571 52.037 -0.027 0.000 0.661 226 A CB -0.593 18.395 19.000 -0.020 0.000 0.801 226 A HN -0.128 7.994 8.150 -0.023 0.014 0.452 227 S N -1.835 113.847 115.700 -0.030 0.000 2.555 227 S HA -0.180 4.274 4.470 -0.027 0.000 0.230 227 S C 0.933 175.511 174.600 -0.036 0.000 0.978 227 S CA 2.088 60.270 58.200 -0.030 0.000 0.934 227 S CB -0.418 62.764 63.200 -0.029 0.000 0.766 227 S HN -0.377 7.747 8.310 -0.030 0.168 0.533 228 A N -0.342 122.453 122.820 -0.041 0.000 2.121 228 A HA -0.146 4.146 4.320 -0.048 0.000 0.218 228 A C -0.075 177.485 177.584 -0.041 0.000 1.154 228 A CA 1.020 53.029 52.037 -0.045 0.000 0.679 228 A CB 0.196 19.166 19.000 -0.050 0.000 0.795 228 A HN -0.811 7.260 8.150 -0.042 0.053 0.458 229 G N -3.523 105.254 108.800 -0.038 0.000 2.141 229 G HA2 -0.413 3.529 3.960 -0.031 0.000 0.242 229 G HA3 -0.413 3.528 3.960 -0.032 0.000 0.242 229 G C -0.718 174.157 174.900 -0.042 0.000 0.982 229 G CA 0.054 45.133 45.100 -0.035 0.000 0.662 229 G HN -0.399 7.825 8.290 -0.038 0.044 0.527 230 T N -1.240 113.280 114.554 -0.057 0.000 2.900 230 T HA 0.149 4.454 4.350 -0.075 0.000 0.307 230 T C -0.659 174.002 174.700 -0.066 0.000 1.065 230 T CA -2.764 59.289 62.100 -0.078 0.000 1.105 230 T CB 0.612 69.406 68.868 -0.124 0.000 0.979 230 T HN -0.402 7.756 8.240 -0.057 0.048 0.544 231 P HA -0.068 4.337 4.420 -0.026 0.000 0.218 231 P C -0.858 176.422 177.300 -0.034 0.000 1.149 231 P CA 1.324 64.401 63.100 -0.038 0.000 0.817 231 P CB 0.468 32.153 31.700 -0.024 0.000 0.785 232 E N -5.549 114.606 120.200 -0.074 0.000 2.343 232 E HA 0.626 5.154 4.350 0.004 -0.176 0.270 232 E C -1.331 175.227 176.600 -0.070 0.000 0.895 232 E CA -1.719 54.658 56.400 -0.038 0.000 0.767 232 E CB 4.613 34.326 29.700 0.022 0.000 1.248 232 E HN -0.531 7.724 8.360 -0.124 0.031 0.440 233 V N -3.885 116.044 119.914 0.024 0.000 3.102 233 V HA 1.046 5.370 4.120 0.071 -0.162 0.312 233 V C -2.379 173.820 176.094 0.175 0.000 1.135 233 V CA -3.518 58.827 62.300 0.076 0.000 1.022 233 V CB 4.169 36.008 31.823 0.027 0.000 1.056 233 V HN 0.532 8.744 8.190 0.037 0.000 0.436 234 A N -0.347 122.612 122.820 0.232 0.000 2.594 234 A HA 0.533 4.888 4.320 0.058 0.000 0.295 234 A C -2.191 175.430 177.584 0.061 0.000 1.071 234 A CA -1.210 50.912 52.037 0.141 0.000 0.685 234 A CB 3.952 23.066 19.000 0.190 0.000 1.285 234 A HN 0.021 8.321 8.150 0.250 0.000 0.405 235 I N 0.730 121.290 120.570 -0.016 0.000 2.312 235 I HA 0.450 4.770 4.170 -0.043 -0.176 0.291 235 I C 0.930 177.018 176.117 -0.048 0.000 1.031 235 I CA -1.936 59.334 61.300 -0.050 0.000 1.293 235 I CB -0.835 37.114 38.000 -0.085 0.000 1.403 235 I HN -0.098 8.085 8.210 -0.046 0.000 0.484 236 T N 4.851 119.356 114.554 -0.082 0.000 2.990 236 T HA 0.167 4.494 4.350 -0.038 0.000 0.249 236 T C 1.103 175.715 174.700 -0.146 0.000 1.039 236 T CA 0.711 62.751 62.100 -0.100 0.000 1.036 236 T CB 0.604 69.390 68.868 -0.137 0.000 0.994 236 T HN 0.266 8.443 8.240 -0.106 0.000 0.489 237 E N 0.727 120.760 120.200 -0.279 0.000 4.120 237 E HA 0.230 4.590 4.350 0.017 0.000 0.202 237 E C -1.737 174.683 176.600 -0.300 0.000 1.067 237 E CA -0.976 55.166 56.400 -0.430 0.000 1.424 237 E CB 0.306 29.299 29.700 -1.180 0.000 1.164 237 E HN -0.450 nan 8.360 nan 0.000 0.439 238 L N 2.961 124.164 121.223 -0.033 0.000 2.455 238 L HA -0.026 4.469 4.340 -0.106 -0.218 0.272 238 L C -2.037 174.962 176.870 0.214 0.000 1.174 238 L CA 0.588 55.440 54.840 0.019 0.000 0.869 238 L CB 0.934 43.049 42.059 0.093 0.000 1.130 238 L HN -0.294 7.955 8.230 0.032 0.000 0.474 239 D N 4.186 124.694 120.400 0.180 0.000 2.623 239 D HA 0.480 5.317 4.640 0.327 0.000 0.241 239 D C -2.074 174.273 176.300 0.077 0.000 1.241 239 D CA -1.102 53.063 54.000 0.275 0.000 0.788 239 D CB 4.195 45.279 40.800 0.473 0.000 1.413 239 D HN -0.172 8.245 8.370 0.077 0.000 0.429 240 V N -1.370 118.563 119.914 0.031 0.000 2.567 240 V HA 0.269 4.531 4.120 -0.058 -0.177 0.298 240 V C -0.558 175.556 176.094 0.032 0.000 1.047 240 V CA -1.440 60.816 62.300 -0.073 0.000 0.880 240 V CB 2.892 34.520 31.823 -0.326 0.000 1.009 240 V HN -0.066 8.216 8.190 0.154 0.000 0.429 241 A N 7.431 130.259 122.820 0.013 0.000 2.566 241 A HA -0.234 4.219 4.320 0.013 -0.125 0.245 241 A C 0.293 177.893 177.584 0.026 0.000 1.056 241 A CA 1.137 53.180 52.037 0.009 0.000 0.757 241 A CB -0.070 18.919 19.000 -0.019 0.000 0.979 241 A HN 0.249 8.401 8.150 0.003 0.000 0.508 242 G N 1.877 110.702 108.800 0.042 0.000 2.253 242 G HA2 -0.452 3.532 3.960 0.040 0.000 0.251 242 G HA3 -0.452 3.531 3.960 0.039 0.000 0.251 242 G C -0.230 174.727 174.900 0.094 0.000 0.998 242 G CA 0.156 45.286 45.100 0.051 0.000 0.621 242 G HN 0.501 8.814 8.290 0.038 0.000 0.524 243 A N -1.847 121.065 122.820 0.154 0.000 2.704 243 A HA -0.408 4.181 4.320 0.448 0.000 0.299 243 A C -1.651 176.083 177.584 0.251 0.000 1.507 243 A CA 0.535 52.753 52.037 0.302 0.000 0.776 243 A CB -1.799 17.366 19.000 0.275 0.000 1.027 243 A HN -0.160 7.866 8.150 0.133 0.203 0.475 244 S N -1.161 114.643 115.700 0.173 0.000 2.549 244 S HA 0.030 4.564 4.470 0.106 0.000 0.283 244 S C 0.053 174.766 174.600 0.187 0.000 1.320 244 S CA -1.591 56.688 58.200 0.132 0.000 1.058 244 S CB 1.111 64.356 63.200 0.076 0.000 0.882 244 S HN -0.223 8.151 8.310 0.132 0.015 0.498 245 P HA -0.197 4.318 4.420 0.159 0.000 0.216 245 P C 1.336 178.710 177.300 0.124 0.000 1.150 245 P CA 2.393 65.570 63.100 0.128 0.000 0.843 245 P CB 0.262 31.998 31.700 0.061 0.000 0.787 246 T N -1.090 113.515 114.554 0.085 0.000 2.684 246 T HA -0.413 3.969 4.350 0.054 0.000 0.267 246 T C 1.740 176.475 174.700 0.059 0.000 1.036 246 T CA 5.062 67.197 62.100 0.059 0.000 1.148 246 T CB -0.451 68.439 68.868 0.038 0.000 0.863 246 T HN -0.459 7.805 8.240 0.076 0.022 0.436 247 D N 1.650 122.082 120.400 0.053 0.000 2.097 247 D HA -0.202 4.433 4.640 -0.009 0.000 0.197 247 D C 2.291 178.591 176.300 0.000 0.000 0.984 247 D CA 3.464 57.463 54.000 -0.002 0.000 0.826 247 D CB -0.294 40.470 40.800 -0.060 0.000 0.973 247 D HN -0.541 7.867 8.370 0.064 0.000 0.460 248 Y N 0.084 120.414 120.300 0.050 0.000 2.181 248 Y HA -0.359 4.240 4.550 0.081 0.000 0.288 248 Y C 2.419 178.355 175.900 0.060 0.000 1.146 248 Y CA 3.973 62.115 58.100 0.070 0.000 1.164 248 Y CB 0.020 38.531 38.460 0.084 0.000 0.982 248 Y HN -0.618 7.797 8.280 0.226 0.000 0.515 249 V N -1.389 118.642 119.914 0.195 0.000 2.343 249 V HA -0.500 3.695 4.120 0.124 0.000 0.247 249 V C 2.000 178.141 176.094 0.079 0.000 1.051 249 V CA 3.824 66.193 62.300 0.115 0.000 1.036 249 V CB -0.934 30.934 31.823 0.075 0.000 0.654 249 V HN 0.091 8.397 8.190 0.193 0.000 0.451 250 N N 0.111 118.845 118.700 0.058 0.000 2.120 250 N HA -0.260 4.496 4.740 0.026 0.000 0.188 250 N C 2.706 178.229 175.510 0.022 0.000 1.024 250 N CA 3.194 56.261 53.050 0.029 0.000 0.852 250 N CB -0.486 38.008 38.487 0.012 0.000 1.003 250 N HN -0.636 7.781 8.380 0.062 0.000 0.424 251 V N 0.221 120.150 119.914 0.024 0.000 2.358 251 V HA -0.361 3.753 4.120 -0.010 0.000 0.246 251 V C 1.692 177.801 176.094 0.024 0.000 1.047 251 V CA 3.660 65.964 62.300 0.008 0.000 1.035 251 V CB -0.693 31.121 31.823 -0.015 0.000 0.658 251 V HN -0.512 7.696 8.190 0.031 0.000 0.452 252 V N 0.353 120.311 119.914 0.073 0.000 2.343 252 V HA -0.506 3.638 4.120 0.040 0.000 0.247 252 V C 1.999 178.113 176.094 0.034 0.000 1.051 252 V CA 4.212 66.555 62.300 0.071 0.000 1.036 252 V CB -0.903 31.010 31.823 0.149 0.000 0.654 252 V HN -0.271 7.984 8.190 0.108 0.000 0.451 253 N N -0.174 118.546 118.700 0.034 0.000 2.188 253 N HA -0.281 4.470 4.740 0.018 0.000 0.184 253 N C 2.142 177.654 175.510 0.004 0.000 1.018 253 N CA 2.976 56.037 53.050 0.018 0.000 0.858 253 N CB -0.644 37.854 38.487 0.018 0.000 0.989 253 N HN -0.099 8.307 8.380 0.044 0.000 0.426 254 A N 0.786 123.606 122.820 0.000 0.000 1.883 254 A HA -0.299 4.016 4.320 -0.008 0.000 0.217 254 A C 1.558 179.131 177.584 -0.017 0.000 1.186 254 A CA 3.237 55.269 52.037 -0.009 0.000 0.624 254 A CB -0.744 18.248 19.000 -0.014 0.000 0.822 254 A HN -0.234 7.918 8.150 0.005 0.000 0.444 255 c N -1.884 116.700 118.600 -0.026 0.000 2.446 255 c HA -0.305 4.241 4.570 -0.041 0.000 0.277 255 c C 1.923 175.994 174.090 -0.032 0.000 1.275 255 c CA 3.110 59.413 56.329 -0.042 0.000 1.727 255 c CB -1.506 40.958 42.510 -0.076 0.000 2.010 255 c HN -0.640 7.576 8.230 -0.024 0.000 0.486 256 L N -1.875 119.336 121.223 -0.019 0.000 2.079 256 L HA -0.429 3.902 4.340 -0.015 0.000 0.210 256 L C 1.940 178.804 176.870 -0.010 0.000 1.081 256 L CA 2.597 57.431 54.840 -0.011 0.000 0.752 256 L CB -0.288 41.771 42.059 0.001 0.000 0.896 256 L HN -0.201 8.021 8.230 -0.014 0.000 0.433 257 N N -3.944 114.750 118.700 -0.009 0.000 2.457 257 N HA -0.160 4.577 4.740 -0.006 0.000 0.180 257 N C -0.585 174.919 175.510 -0.010 0.000 1.050 257 N CA 0.885 53.930 53.050 -0.008 0.000 0.906 257 N CB 0.745 39.228 38.487 -0.006 0.000 0.968 257 N HN -0.623 7.634 8.380 -0.009 0.118 0.445 258 V N 1.517 121.422 119.914 -0.014 0.000 2.328 258 V HA 0.189 4.301 4.120 -0.012 0.000 0.278 258 V C 1.619 177.704 176.094 -0.015 0.000 1.021 258 V CA -0.368 61.923 62.300 -0.014 0.000 0.838 258 V CB 0.483 32.296 31.823 -0.016 0.000 0.999 258 V HN -0.543 7.473 8.190 -0.016 0.164 0.447 259 Q N 9.166 128.960 119.800 -0.011 0.000 2.181 259 Q HA -0.134 4.216 4.340 0.017 0.000 0.205 259 Q C 1.369 177.364 176.000 -0.009 0.000 0.980 259 Q CA 2.120 57.917 55.803 -0.009 0.000 0.862 259 Q CB -0.114 28.620 28.738 -0.007 0.000 0.905 259 Q HN 0.609 nan 8.270 nan 0.000 0.429 260 S N -2.845 112.850 115.700 -0.009 0.000 2.593 260 S HA -0.037 4.432 4.470 -0.000 0.000 0.217 260 S C -0.459 174.141 174.600 -0.000 0.000 0.966 260 S CA -0.437 57.760 58.200 -0.004 0.000 0.914 260 S CB 0.150 63.344 63.200 -0.010 0.000 0.776 260 S HN -0.289 7.988 8.310 -0.011 0.026 0.523 261 c N 5.019 123.611 118.600 -0.012 0.000 2.540 261 c HA 0.275 5.071 4.570 -0.003 -0.228 0.377 261 c C 1.610 175.668 174.090 -0.053 0.000 1.274 261 c CA -0.743 55.571 56.329 -0.024 0.000 1.718 261 c CB -1.026 41.459 42.510 -0.041 0.000 2.391 261 c HN -0.315 7.738 8.230 -0.016 0.168 0.565 262 V N 4.228 124.113 119.914 -0.048 0.000 2.878 262 V HA 0.220 4.296 4.120 -0.073 0.000 0.250 262 V C -0.872 174.998 176.094 -0.374 0.000 1.075 262 V CA 0.228 62.469 62.300 -0.100 0.000 1.096 262 V CB -0.081 31.768 31.823 0.043 0.000 0.724 262 V HN -0.006 8.183 8.190 -0.001 0.000 0.467 263 G N -3.111 105.398 108.800 -0.485 0.000 2.320 263 G HA2 0.319 3.930 3.960 -0.634 0.000 0.296 263 G HA3 0.319 3.349 3.960 -1.676 -0.075 0.296 263 G C -3.352 171.222 174.900 -0.542 0.000 1.306 263 G CA 0.409 44.995 45.100 -0.857 0.000 0.836 263 G HN -0.977 7.135 8.290 -0.298 0.000 0.517 264 I N -1.046 119.198 120.570 -0.543 0.000 2.582 264 I HA 0.591 4.799 4.170 -0.237 -0.180 0.292 264 I C -1.412 174.621 176.117 -0.140 0.000 1.066 264 I CA -1.221 59.841 61.300 -0.397 0.000 1.053 264 I CB 4.471 41.990 38.000 -0.802 0.000 1.241 264 I HN -0.313 7.499 8.210 -0.662 0.000 0.421 265 T N 8.158 122.732 114.554 0.032 0.000 2.792 265 T HA 0.424 4.985 4.350 0.190 -0.097 0.280 265 T C -1.776 173.029 174.700 0.175 0.000 0.990 265 T CA -0.779 61.409 62.100 0.147 0.000 0.960 265 T CB 1.951 70.911 68.868 0.153 0.000 0.939 265 T HN 0.428 8.670 8.240 0.004 0.000 0.439 266 V N 4.859 124.920 119.914 0.245 0.000 2.539 266 V HA 0.147 4.618 4.120 0.343 -0.146 0.292 266 V C -0.710 175.559 176.094 0.291 0.000 1.045 266 V CA -2.610 59.883 62.300 0.321 0.000 0.945 266 V CB 2.314 34.392 31.823 0.425 0.000 0.993 266 V HN 0.537 8.867 8.190 0.233 0.000 0.464 267 W N 9.742 131.107 121.300 0.109 0.000 1.496 267 W HA -0.105 4.552 4.660 -0.004 0.000 0.422 267 W C -1.465 175.123 176.519 0.115 0.000 0.638 267 W CA -0.793 56.602 57.345 0.083 0.000 2.105 267 W CB -0.497 29.056 29.460 0.155 0.000 1.639 267 W HN 0.181 8.671 8.180 0.516 0.000 0.304 268 G N 0.933 109.667 108.800 -0.111 0.000 2.381 268 G HA2 -0.279 3.682 3.960 -0.247 0.000 0.672 268 G HA3 -0.279 3.645 3.960 -0.060 0.000 0.672 268 G C -2.142 172.740 174.900 -0.030 0.000 1.324 268 G CA -0.930 44.094 45.100 -0.127 0.000 0.975 268 G HN -0.482 7.655 8.290 -0.132 0.074 0.593 269 V N -0.343 119.554 119.914 -0.029 0.000 2.398 269 V HA 0.034 4.196 4.120 0.070 0.000 0.236 269 V C -0.726 175.464 176.094 0.161 0.000 1.054 269 V CA 1.991 64.316 62.300 0.042 0.000 1.060 269 V CB 1.038 32.839 31.823 -0.037 0.000 0.707 269 V HN 0.427 8.585 8.190 -0.054 0.000 0.480 270 A N -4.881 117.982 122.820 0.073 0.000 2.337 270 A HA 0.240 4.798 4.320 0.087 -0.186 0.329 270 A C 0.294 177.867 177.584 -0.019 0.000 1.146 270 A CA -2.092 49.938 52.037 -0.011 0.000 0.800 270 A CB 2.531 21.313 19.000 -0.363 0.000 1.220 270 A HN -0.531 7.647 8.150 0.048 0.000 0.472 271 D N 4.580 124.976 120.400 -0.007 0.000 2.154 271 D HA -0.280 4.392 4.640 0.053 0.000 0.190 271 D C 0.175 176.466 176.300 -0.016 0.000 1.003 271 D CA 5.085 59.091 54.000 0.009 0.000 0.849 271 D CB -2.328 38.471 40.800 -0.002 0.000 0.942 271 D HN 0.101 8.468 8.370 -0.004 0.000 0.446 272 P HA -0.106 4.294 4.420 -0.034 0.000 0.225 272 P C -0.326 176.965 177.300 -0.016 0.000 1.148 272 P CA 1.359 64.431 63.100 -0.047 0.000 0.779 272 P CB -0.370 31.281 31.700 -0.080 0.000 0.780 273 D N -3.348 117.048 120.400 -0.008 0.000 2.349 273 D HA 0.019 4.671 4.640 0.020 0.000 0.214 273 D C -1.151 175.190 176.300 0.067 0.000 1.063 273 D CA 0.070 54.081 54.000 0.019 0.000 0.847 273 D CB 0.622 41.424 40.800 0.003 0.000 0.933 273 D HN -0.238 8.058 8.370 -0.024 0.059 0.513 274 S N -0.679 115.077 115.700 0.094 0.000 2.576 274 S HA -0.094 4.534 4.470 0.263 0.000 0.276 274 S C 1.798 176.536 174.600 0.230 0.000 1.339 274 S CA -0.303 58.014 58.200 0.195 0.000 1.039 274 S CB 0.959 64.250 63.200 0.151 0.000 0.902 274 S HN -0.632 7.543 8.310 0.063 0.172 0.516 275 W N 4.511 125.878 121.300 0.113 0.000 2.525 275 W HA -0.101 4.604 4.660 0.076 0.000 0.259 275 W C -0.669 175.884 176.519 0.057 0.000 1.253 275 W CA 0.115 57.519 57.345 0.097 0.000 1.262 275 W CB -0.629 28.924 29.460 0.154 0.000 1.122 275 W HN 0.390 9.060 8.180 0.817 0.000 0.607 276 R N -1.438 118.706 120.500 -0.593 0.000 2.997 276 R HA 0.382 4.403 4.340 -0.531 0.000 0.358 276 R C -0.508 175.658 176.300 -0.224 0.000 1.191 276 R CA -1.524 54.239 56.100 -0.562 0.000 1.113 276 R CB -0.093 29.682 30.300 -0.875 0.000 1.433 276 R HN -0.618 7.343 8.270 -0.441 0.044 0.584 277 A N 0.633 123.387 122.820 -0.110 0.000 1.978 277 A HA -0.273 4.130 4.320 -0.023 -0.096 0.220 277 A C 1.203 178.756 177.584 -0.052 0.000 1.170 277 A CA 2.948 54.957 52.037 -0.046 0.000 0.636 277 A CB -0.231 18.757 19.000 -0.020 0.000 0.810 277 A HN -0.483 7.608 8.150 -0.098 0.000 0.448 278 S N -2.640 113.017 115.700 -0.073 0.000 2.507 278 S HA -0.267 4.177 4.470 -0.044 0.000 0.235 278 S C 1.122 175.689 174.600 -0.054 0.000 0.988 278 S CA 2.438 60.603 58.200 -0.059 0.000 0.944 278 S CB -0.735 62.426 63.200 -0.065 0.000 0.762 278 S HN -0.000 8.225 8.310 -0.092 0.029 0.526 279 T N -3.446 111.069 114.554 -0.066 0.000 3.134 279 T HA 0.354 4.683 4.350 -0.036 0.000 0.260 279 T C -0.428 174.268 174.700 -0.006 0.000 1.027 279 T CA -1.125 60.949 62.100 -0.044 0.000 0.913 279 T CB 0.078 68.906 68.868 -0.067 0.000 1.046 279 T HN -0.472 7.655 8.240 -0.087 0.061 0.553 280 T N -0.560 113.995 114.554 0.001 0.000 3.290 280 T HA -0.345 4.021 4.350 0.027 0.000 0.422 280 T C -1.715 173.031 174.700 0.077 0.000 0.771 280 T CA 0.103 62.221 62.100 0.030 0.000 2.100 280 T CB -0.770 68.110 68.868 0.021 0.000 1.676 280 T HN -0.225 7.937 8.240 -0.014 0.069 0.613 281 P HA 0.477 5.174 4.420 0.176 -0.171 0.274 281 P C -1.243 176.244 177.300 0.313 0.000 1.352 281 P CA -0.234 62.975 63.100 0.181 0.000 0.947 281 P CB 1.082 32.864 31.700 0.135 0.000 1.437 282 L N -1.012 120.362 121.223 0.252 0.000 2.421 282 L HA 0.401 4.970 4.340 0.381 0.000 0.267 282 L C 0.981 177.943 176.870 0.153 0.000 1.036 282 L CA -1.976 53.028 54.840 0.275 0.000 0.829 282 L CB 2.445 44.647 42.059 0.239 0.000 1.437 282 L HN -0.179 8.376 8.230 0.184 -0.214 0.488 283 L N -2.666 118.637 121.223 0.133 0.000 2.554 283 L HA 0.106 4.337 4.340 -0.183 0.000 0.225 283 L C -0.662 176.053 176.870 -0.258 0.000 1.104 283 L CA 1.123 55.925 54.840 -0.063 0.000 0.866 283 L CB 0.423 42.504 42.059 0.036 0.000 1.047 283 L HN 0.512 8.894 8.230 0.252 0.000 0.468 284 F N -2.992 116.978 119.950 0.032 0.000 2.546 284 F HA 0.671 5.352 4.527 -0.035 -0.174 0.320 284 F C -1.126 174.641 175.800 -0.055 0.000 1.076 284 F CA -1.849 56.142 58.000 -0.015 0.000 0.928 284 F CB 3.665 42.678 39.000 0.023 0.000 1.189 284 F HN -0.822 7.669 8.300 0.318 0.000 0.465 285 D N 0.250 120.689 120.400 0.064 0.000 2.478 285 D HA 0.231 4.859 4.640 -0.021 0.000 0.269 285 D C 1.610 177.825 176.300 -0.141 0.000 1.232 285 D CA -2.349 51.636 54.000 -0.025 0.000 1.059 285 D CB 0.978 41.764 40.800 -0.024 0.000 1.104 285 D HN -0.011 8.406 8.370 0.078 0.000 0.566 286 G N -3.289 105.418 108.800 -0.155 0.000 2.509 286 G HA2 -0.245 3.511 3.960 -0.341 0.000 0.218 286 G HA3 -0.245 3.616 3.960 -0.165 0.000 0.218 286 G C 0.411 175.139 174.900 -0.287 0.000 1.124 286 G CA 1.953 46.905 45.100 -0.247 0.000 0.776 286 G HN 0.514 8.745 8.290 -0.098 0.000 0.547 287 N N 0.520 119.134 118.700 -0.143 0.000 2.235 287 N HA 0.161 4.918 4.740 0.027 0.000 0.209 287 N C -1.163 174.442 175.510 0.158 0.000 1.122 287 N CA -0.570 52.481 53.050 0.002 0.000 0.845 287 N CB 0.675 39.187 38.487 0.041 0.000 1.004 287 N HN -0.758 7.738 8.380 -0.099 -0.176 0.499 288 F N -6.033 113.960 119.950 0.072 0.000 3.057 288 F HA -0.385 4.282 4.527 0.138 -0.057 0.287 288 F C -0.919 175.004 175.800 0.204 0.000 0.834 288 F CA 1.281 59.343 58.000 0.103 0.000 1.147 288 F CB -3.252 35.748 39.000 0.001 0.000 1.245 288 F HN -0.305 7.618 8.300 -0.317 0.187 0.509 289 N N -0.302 118.556 118.700 0.263 0.000 2.473 289 N HA 0.418 5.280 4.740 0.203 0.000 0.291 289 N C -2.290 173.242 175.510 0.037 0.000 1.083 289 N CA -1.628 51.525 53.050 0.173 0.000 0.951 289 N CB 0.723 39.248 38.487 0.063 0.000 1.164 289 N HN -0.527 8.193 8.380 0.169 -0.239 0.480 290 P HA 0.049 3.826 4.420 -1.288 -0.131 0.271 290 P C -0.765 176.340 177.300 -0.324 0.000 1.216 290 P CA -0.138 62.551 63.100 -0.685 0.000 0.771 290 P CB 0.389 31.654 31.700 -0.724 0.000 0.864 291 K N 3.716 123.929 120.400 -0.312 0.000 2.098 291 K HA 0.251 4.506 4.320 -0.108 0.000 0.244 291 K C -0.270 176.273 176.600 -0.095 0.000 1.014 291 K CA -1.873 54.326 56.287 -0.146 0.000 0.917 291 K CB -0.775 31.656 32.500 -0.115 0.000 1.072 291 K HN 0.023 8.003 8.250 -0.451 0.000 0.477 292 P HA -0.290 4.114 4.420 -0.027 0.000 0.216 292 P C 0.569 177.847 177.300 -0.037 0.000 1.150 292 P CA 2.837 65.919 63.100 -0.030 0.000 0.843 292 P CB -0.181 31.512 31.700 -0.011 0.000 0.787 293 A N -3.656 119.131 122.820 -0.055 0.000 1.933 293 A HA -0.225 4.077 4.320 -0.030 0.000 0.218 293 A C 1.841 179.323 177.584 -0.170 0.000 1.175 293 A CA 2.598 54.580 52.037 -0.091 0.000 0.628 293 A CB -0.896 18.020 19.000 -0.140 0.000 0.814 293 A HN 0.180 8.283 8.150 -0.052 0.016 0.444 294 Y N -0.065 120.051 120.300 -0.307 0.000 2.114 294 Y HA -0.494 3.852 4.550 -0.339 0.000 0.284 294 Y C 1.626 177.392 175.900 -0.224 0.000 1.143 294 Y CA 4.192 62.093 58.100 -0.331 0.000 1.135 294 Y CB 0.084 38.250 38.460 -0.491 0.000 0.980 294 Y HN -0.565 7.655 8.280 -0.100 0.000 0.499 295 N N -2.011 116.685 118.700 -0.007 0.000 2.223 295 N HA -0.381 4.356 4.740 -0.006 0.000 0.185 295 N C 1.389 176.848 175.510 -0.085 0.000 1.016 295 N CA 2.570 55.604 53.050 -0.027 0.000 0.863 295 N CB -0.513 37.975 38.487 0.001 0.000 0.983 295 N HN -0.650 7.744 8.380 0.024 0.000 0.429 296 A N -1.195 121.579 122.820 -0.077 0.000 1.930 296 A HA -0.200 4.096 4.320 -0.039 0.000 0.217 296 A C 1.536 179.074 177.584 -0.076 0.000 1.175 296 A CA 2.543 54.548 52.037 -0.053 0.000 0.627 296 A CB 0.235 19.226 19.000 -0.016 0.000 0.815 296 A HN -0.372 7.721 8.150 -0.070 0.015 0.443 297 I N -0.970 119.516 120.570 -0.140 0.000 2.179 297 I HA -0.563 3.574 4.170 -0.056 0.000 0.242 297 I C 1.721 177.725 176.117 -0.189 0.000 1.088 297 I CA 4.124 65.335 61.300 -0.149 0.000 1.357 297 I CB -0.163 37.706 38.000 -0.218 0.000 1.051 297 I HN -0.600 7.505 8.210 -0.174 0.000 0.409 298 V N 0.463 120.203 119.914 -0.290 0.000 2.282 298 V HA -0.423 3.557 4.120 -0.234 0.000 0.249 298 V C 2.872 178.900 176.094 -0.110 0.000 1.057 298 V CA 3.362 65.531 62.300 -0.219 0.000 1.032 298 V CB -1.100 30.599 31.823 -0.207 0.000 0.645 298 V HN -0.354 7.610 8.190 -0.378 0.000 0.447 299 Q N 0.239 119.989 119.800 -0.083 0.000 2.119 299 Q HA -0.160 4.190 4.340 0.017 0.000 0.201 299 Q C 1.324 177.304 176.000 -0.033 0.000 0.972 299 Q CA 1.512 57.287 55.803 -0.045 0.000 0.847 299 Q CB -0.213 28.505 28.738 -0.033 0.000 0.903 299 Q HN 0.204 nan 8.270 nan 0.000 0.433 300 D N 0.055 120.436 120.400 -0.032 0.000 2.144 300 D HA -0.217 4.418 4.640 -0.008 0.000 0.199 300 D C 1.602 177.895 176.300 -0.011 0.000 0.984 300 D CA 2.480 56.472 54.000 -0.013 0.000 0.834 300 D CB 0.477 41.277 40.800 -0.000 0.000 0.955 300 D HN -0.346 7.999 8.370 -0.043 0.000 0.465 301 L N -2.993 118.216 121.223 -0.024 0.000 2.270 301 L HA -0.126 4.214 4.340 0.000 0.000 0.210 301 L C 1.485 178.345 176.870 -0.016 0.000 1.104 301 L CA 1.799 56.630 54.840 -0.014 0.000 0.804 301 L CB 0.083 42.129 42.059 -0.021 0.000 0.937 301 L HN -0.625 7.556 8.230 -0.042 0.024 0.450 302 Q N 0.000 119.785 119.800 -0.025 0.000 2.315 302 Q HA 0.000 4.350 4.340 0.017 0.000 0.214 302 Q CA 0.000 55.792 55.803 -0.019 0.000 1.022 302 Q CB 0.000 28.724 28.738 -0.023 0.000 1.108 302 Q HN 0.000 nan 8.270 nan 0.000 0.481