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 1xyl_1_A DATA FIRST_RESID 1 DATA SEQUENCE SYQPTPEDRF TFGLWTVGWQ GRDPFGDATR PALDPVETVQ RLAELGAHGV DATA SEQUENCE TFHDDDLIPF GSSDTERESH IKRFRQALDA TGMTVPMATT NLFTHPVFKD DATA SEQUENCE GGFTANDRDV RRYALRKTIR NIDLAVELGA KTYVAWGGRE GAESGAAKDV DATA SEQUENCE RVALDRMKEA FDLLGEYVTS QGYDTRFAIK PKPNEPRGDI LLPTVGHALA DATA SEQUENCE FIERLERPEL YGVNPEVGHE QMAGLNFPHG IAQALWAGKL FHIDLNGQSG DATA SEQUENCE IKYDQDLRFG AGDLRAAFWL VDLLESAGYE GPRHFDFKPP RTEDIDGVWA DATA SEQUENCE SAAGCMRNYL ILKERAAAFR ADPEVQEALR ASRLDELAQP TAADGVQELL DATA SEQUENCE ADRTAFEDFD VDAAAARGMA FERLDQLAMD HLLGAR 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.704 174.600 0.173 0.000 1.055 1 S CA 0.000 58.251 58.200 0.086 0.000 1.107 1 S CB 0.000 63.322 63.200 0.204 0.000 0.593 2 Y N -0.408 119.925 120.300 0.055 0.000 2.961 2 Y HA -0.348 nan 4.550 nan 0.000 0.184 2 Y C -0.817 175.138 175.900 0.092 0.000 1.515 2 Y CA 0.299 58.446 58.100 0.078 0.000 0.883 2 Y CB -0.890 37.622 38.460 0.086 0.000 1.412 2 Y HN 0.303 8.315 8.280 -0.448 0.000 0.362 3 Q N 2.251 122.165 119.800 0.191 0.000 2.256 3 Q HA 0.263 nan 4.340 nan 0.000 0.254 3 Q C -1.453 174.667 176.000 0.201 0.000 0.916 3 Q CA -2.227 53.674 55.803 0.163 0.000 0.932 3 Q CB 0.464 29.265 28.738 0.104 0.000 1.207 3 Q HN -0.132 8.218 8.270 0.132 0.000 0.426 4 P HA 0.021 nan 4.420 nan 0.000 0.271 4 P C -1.392 176.040 177.300 0.221 0.000 1.216 4 P CA -0.037 63.259 63.100 0.328 0.000 0.771 4 P CB 0.475 32.408 31.700 0.387 0.000 0.864 5 T N -1.265 113.396 114.554 0.178 0.000 2.908 5 T HA 0.483 nan 4.350 nan 0.000 0.290 5 T C -0.633 174.113 174.700 0.077 0.000 1.034 5 T CA -3.042 59.120 62.100 0.104 0.000 1.010 5 T CB 0.875 69.775 68.868 0.054 0.000 1.068 5 T HN 0.001 8.655 8.240 0.180 -0.305 0.481 6 P HA -0.279 nan 4.420 nan 0.000 0.218 6 P C 1.372 178.602 177.300 -0.115 0.000 1.150 6 P CA 2.687 65.851 63.100 0.107 0.000 0.841 6 P CB -0.024 31.784 31.700 0.181 0.000 0.784 7 E N -2.923 117.206 120.200 -0.119 0.000 2.265 7 E HA -0.243 nan 4.350 nan 0.000 0.196 7 E C 1.025 177.447 176.600 -0.296 0.000 0.996 7 E CA 2.300 58.581 56.400 -0.198 0.000 0.832 7 E CB -1.098 28.534 29.700 -0.114 0.000 0.756 7 E HN 0.500 8.797 8.360 -0.049 0.034 0.491 8 D N -2.275 117.926 120.400 -0.333 0.000 2.348 8 D HA -0.056 nan 4.640 nan 0.000 0.216 8 D C -0.483 175.321 176.300 -0.826 0.000 0.970 8 D CA 0.719 54.346 54.000 -0.621 0.000 0.889 8 D CB 0.174 40.491 40.800 -0.805 0.000 0.912 8 D HN -0.156 7.938 8.370 -0.218 0.146 0.524 9 R N -5.785 114.369 120.500 -0.577 0.000 3.651 9 R HA -0.438 nan 4.340 nan 0.000 0.292 9 R C -0.922 175.210 176.300 -0.280 0.000 1.161 9 R CA 0.402 56.224 56.100 -0.464 0.000 0.787 9 R CB -3.129 26.899 30.300 -0.452 0.000 1.249 9 R HN -0.339 7.471 8.270 -0.493 0.164 0.476 10 F N -1.687 118.239 119.950 -0.040 0.000 2.456 10 F HA 0.302 nan 4.527 nan 0.000 0.358 10 F C -0.527 175.329 175.800 0.093 0.000 1.095 10 F CA -0.292 57.688 58.000 -0.034 0.000 1.216 10 F CB 0.014 39.101 39.000 0.146 0.000 1.125 10 F HN -0.341 7.795 8.300 -0.229 0.027 0.549 11 T N -0.601 114.052 114.554 0.164 0.000 2.883 11 T HA 0.779 nan 4.350 nan 0.000 0.296 11 T C -1.978 172.800 174.700 0.130 0.000 1.117 11 T CA -2.016 60.252 62.100 0.279 0.000 1.006 11 T CB 3.363 72.400 68.868 0.280 0.000 1.191 11 T HN 0.329 8.535 8.240 -0.056 0.000 0.508 12 F N -1.327 118.773 119.950 0.250 0.000 2.613 12 F HA 0.604 nan 4.527 nan 0.000 0.310 12 F C -0.566 175.231 175.800 -0.006 0.000 1.085 12 F CA -1.204 56.842 58.000 0.077 0.000 0.945 12 F CB 4.474 43.559 39.000 0.142 0.000 1.298 12 F HN -0.184 8.444 8.300 0.546 0.000 0.455 13 G N -0.942 107.716 108.800 -0.236 0.000 2.476 13 G HA2 0.382 nan 3.960 nan 0.000 0.269 13 G HA3 0.382 nan 3.960 nan 0.000 0.269 13 G C 0.094 174.765 174.900 -0.381 0.000 1.195 13 G CA -1.212 43.426 45.100 -0.769 0.000 0.843 13 G HN 0.042 8.075 8.290 -0.428 0.000 0.545 14 L N 1.183 122.437 121.223 0.052 0.000 2.127 14 L HA -0.377 nan 4.340 nan 0.000 0.211 14 L C 1.752 178.766 176.870 0.241 0.000 1.089 14 L CA 3.022 57.999 54.840 0.229 0.000 0.757 14 L CB -0.144 42.126 42.059 0.351 0.000 0.899 14 L HN 0.308 8.677 8.230 0.232 0.000 0.434 15 W N -4.614 116.845 121.300 0.265 0.000 2.699 15 W HA -0.142 nan 4.660 nan 0.000 0.249 15 W C 0.065 176.675 176.519 0.152 0.000 1.280 15 W CA 0.835 58.320 57.345 0.234 0.000 1.345 15 W CB -1.367 28.280 29.460 0.312 0.000 1.128 15 W HN -0.281 8.233 8.180 0.598 0.025 0.642 16 T N -2.630 111.745 114.554 -0.298 0.000 2.739 16 T HA -0.077 nan 4.350 nan 0.000 0.249 16 T C 2.166 176.696 174.700 -0.283 0.000 1.050 16 T CA 2.351 64.251 62.100 -0.334 0.000 1.165 16 T CB 0.309 68.999 68.868 -0.297 0.000 0.872 16 T HN -0.530 7.288 8.240 -0.425 0.167 0.411 17 V N -2.330 117.458 119.914 -0.209 0.000 2.809 17 V HA 0.084 nan 4.120 nan 0.000 0.256 17 V C 1.214 177.200 176.094 -0.181 0.000 1.080 17 V CA 2.078 64.205 62.300 -0.288 0.000 1.102 17 V CB -1.175 30.419 31.823 -0.383 0.000 0.705 17 V HN -0.259 7.860 8.190 -0.117 0.000 0.475 18 G N -1.870 106.923 108.800 -0.013 0.000 2.920 18 G HA2 -0.107 nan 3.960 nan 0.000 0.208 18 G HA3 -0.107 nan 3.960 nan 0.000 0.208 18 G C -0.679 174.309 174.900 0.147 0.000 1.159 18 G CA -0.905 44.237 45.100 0.070 0.000 0.784 18 G HN -0.728 7.543 8.290 0.013 0.026 0.535 19 W N 1.554 122.826 121.300 -0.048 0.000 2.308 19 W HA -0.079 nan 4.660 nan 0.000 0.324 19 W C -0.119 176.374 176.519 -0.042 0.000 1.387 19 W CA 0.058 57.394 57.345 -0.015 0.000 1.250 19 W CB 0.764 30.198 29.460 -0.043 0.000 1.257 19 W HN -0.621 7.520 8.180 0.206 0.163 0.554 20 Q N 7.796 127.359 119.800 -0.395 0.000 2.425 20 Q HA -0.092 nan 4.340 nan 0.000 0.204 20 Q C 0.178 175.716 176.000 -0.770 0.000 0.933 20 Q CA 1.092 56.631 55.803 -0.440 0.000 0.939 20 Q CB 0.206 28.800 28.738 -0.240 0.000 1.044 20 Q HN 0.404 8.514 8.270 -0.266 0.000 0.513 21 G N -2.974 104.805 108.800 -1.703 0.000 2.176 21 G HA2 -0.425 nan 3.960 nan 0.000 0.232 21 G HA3 -0.425 nan 3.960 nan 0.000 0.232 21 G C -1.809 172.611 174.900 -0.800 0.000 0.986 21 G CA -0.290 43.833 45.100 -1.627 0.000 0.643 21 G HN 0.223 6.828 8.290 -2.728 0.048 0.522 22 R N 1.160 121.402 120.500 -0.430 0.000 2.438 22 R HA 0.241 nan 4.340 nan 0.000 0.287 22 R C -1.727 174.683 176.300 0.184 0.000 1.077 22 R CA -0.331 55.728 56.100 -0.067 0.000 1.034 22 R CB 0.480 30.773 30.300 -0.011 0.000 0.993 22 R HN -0.363 7.600 8.270 -0.512 0.000 0.459 23 D N 4.226 124.722 120.400 0.159 0.000 2.714 23 D HA 0.393 nan 4.640 nan 0.000 0.278 23 D C -0.315 176.021 176.300 0.060 0.000 1.102 23 D CA -2.303 51.829 54.000 0.219 0.000 1.108 23 D CB 0.117 41.092 40.800 0.292 0.000 1.444 23 D HN -0.151 8.268 8.370 0.081 0.000 0.568 24 P HA -0.163 nan 4.420 nan 0.000 0.220 24 P C -0.468 176.477 177.300 -0.592 0.000 1.144 24 P CA 2.030 64.916 63.100 -0.357 0.000 0.800 24 P CB 0.153 31.561 31.700 -0.486 0.000 0.772 25 F N -2.475 117.469 119.950 -0.011 0.000 2.698 25 F HA 0.157 nan 4.527 nan 0.000 0.304 25 F C -0.644 175.147 175.800 -0.016 0.000 1.108 25 F CA -0.216 57.773 58.000 -0.019 0.000 1.263 25 F CB 1.222 40.201 39.000 -0.035 0.000 1.013 25 F HN -0.683 7.893 8.300 0.150 -0.186 0.532 26 G N -0.436 108.417 108.800 0.088 0.000 2.632 26 G HA2 0.094 nan 3.960 nan 0.000 0.292 26 G HA3 0.094 nan 3.960 nan 0.000 0.292 26 G C -2.460 172.441 174.900 0.003 0.000 1.465 26 G CA -0.149 44.981 45.100 0.050 0.000 0.824 26 G HN -0.659 7.671 8.290 0.046 -0.012 0.509 27 D N 0.233 120.622 120.400 -0.018 0.000 2.387 27 D HA 0.078 nan 4.640 nan 0.000 0.251 27 D C 0.365 176.610 176.300 -0.091 0.000 1.141 27 D CA -0.955 53.018 54.000 -0.045 0.000 0.987 27 D CB 1.703 42.480 40.800 -0.037 0.000 1.116 27 D HN 0.119 8.483 8.370 -0.010 0.000 0.491 28 A N -0.629 122.121 122.820 -0.117 0.000 2.565 28 A HA -0.065 nan 4.320 nan 0.000 0.237 28 A C 0.326 177.814 177.584 -0.161 0.000 1.053 28 A CA 1.745 53.673 52.037 -0.182 0.000 0.755 28 A CB 0.051 18.960 19.000 -0.151 0.000 0.980 28 A HN 0.241 8.337 8.150 -0.089 0.000 0.506 29 T N -2.155 112.271 114.554 -0.212 0.000 3.022 29 T HA 0.089 nan 4.350 nan 0.000 0.250 29 T C 0.472 175.086 174.700 -0.143 0.000 1.060 29 T CA 0.018 62.023 62.100 -0.157 0.000 1.013 29 T CB 0.691 69.461 68.868 -0.163 0.000 0.982 29 T HN 0.348 8.402 8.240 -0.310 0.000 0.508 30 R N 0.775 121.171 120.500 -0.174 0.000 2.795 30 R HA 0.493 nan 4.340 nan 0.000 0.275 30 R C -2.742 173.495 176.300 -0.106 0.000 0.981 30 R CA -2.917 53.103 56.100 -0.134 0.000 0.917 30 R CB 1.873 32.075 30.300 -0.163 0.000 1.202 30 R HN -0.298 7.792 8.270 -0.222 0.047 0.469 31 P HA 0.029 nan 4.420 nan 0.000 0.272 31 P C -1.367 175.918 177.300 -0.024 0.000 1.223 31 P CA -0.096 62.983 63.100 -0.034 0.000 0.784 31 P CB 0.651 32.343 31.700 -0.013 0.000 0.923 32 A N 1.701 124.520 122.820 -0.001 0.000 2.498 32 A HA 0.010 nan 4.320 nan 0.000 0.239 32 A C -0.585 177.026 177.584 0.045 0.000 1.068 32 A CA 0.129 52.181 52.037 0.024 0.000 0.766 32 A CB 0.642 19.666 19.000 0.039 0.000 1.003 32 A HN 0.042 8.192 8.150 0.001 0.000 0.497 33 L N 0.648 121.909 121.223 0.064 0.000 2.343 33 L HA 0.141 nan 4.340 nan 0.000 0.275 33 L C -0.082 176.857 176.870 0.115 0.000 1.056 33 L CA -0.518 54.379 54.840 0.095 0.000 0.804 33 L CB 1.123 43.248 42.059 0.111 0.000 1.203 33 L HN 0.261 8.529 8.230 0.064 0.000 0.440 34 D N 3.940 124.414 120.400 0.123 0.000 2.351 34 D HA 0.186 nan 4.640 nan 0.000 0.251 34 D C -0.753 175.644 176.300 0.160 0.000 1.137 34 D CA -2.923 51.156 54.000 0.131 0.000 0.879 34 D CB 0.997 41.867 40.800 0.116 0.000 1.181 34 D HN 0.063 8.506 8.370 0.121 0.000 0.448 35 P HA -0.279 nan 4.420 nan 0.000 0.217 35 P C 0.534 177.988 177.300 0.257 0.000 1.151 35 P CA 2.085 65.325 63.100 0.232 0.000 0.849 35 P CB -0.033 31.791 31.700 0.207 0.000 0.787 36 V N -6.640 113.395 119.914 0.203 0.000 2.591 36 V HA -0.188 nan 4.120 nan 0.000 0.249 36 V C 1.548 177.703 176.094 0.101 0.000 1.053 36 V CA 3.667 66.053 62.300 0.144 0.000 1.068 36 V CB -0.322 31.564 31.823 0.104 0.000 0.689 36 V HN -0.439 8.136 8.190 0.184 -0.275 0.462 37 E N 0.352 120.618 120.200 0.111 0.000 2.106 37 E HA -0.350 nan 4.350 nan 0.000 0.192 37 E C 1.923 178.591 176.600 0.113 0.000 0.984 37 E CA 3.393 59.848 56.400 0.093 0.000 0.806 37 E CB -0.200 29.569 29.700 0.115 0.000 0.750 37 E HN -0.428 8.007 8.360 0.126 0.000 0.458 38 T N 2.871 117.541 114.554 0.194 0.000 2.746 38 T HA -0.277 nan 4.350 nan 0.000 0.267 38 T C 2.170 176.957 174.700 0.144 0.000 1.039 38 T CA 4.943 67.198 62.100 0.257 0.000 1.142 38 T CB -0.435 68.601 68.868 0.280 0.000 0.866 38 T HN -0.267 8.020 8.240 0.200 0.072 0.444 39 V N 2.076 122.063 119.914 0.123 0.000 2.407 39 V HA -0.450 nan 4.120 nan 0.000 0.248 39 V C 1.846 177.930 176.094 -0.016 0.000 1.055 39 V CA 4.447 66.782 62.300 0.057 0.000 1.049 39 V CB -0.913 30.916 31.823 0.009 0.000 0.662 39 V HN 0.152 8.435 8.190 0.155 0.000 0.455 40 Q N -1.691 118.087 119.800 -0.038 0.000 2.123 40 Q HA -0.297 nan 4.340 nan 0.000 0.199 40 Q C 2.760 178.661 176.000 -0.165 0.000 0.966 40 Q CA 3.501 59.254 55.803 -0.084 0.000 0.845 40 Q CB -0.232 28.464 28.738 -0.069 0.000 0.907 40 Q HN -0.390 7.877 8.270 -0.005 0.000 0.439 41 R N -0.194 120.145 120.500 -0.268 0.000 2.075 41 R HA -0.143 nan 4.340 nan 0.000 0.226 41 R C 2.545 178.549 176.300 -0.492 0.000 1.114 41 R CA 1.611 57.375 56.100 -0.560 0.000 0.972 41 R CB -0.370 29.243 30.300 -1.145 0.000 0.869 41 R HN -0.255 7.898 8.270 -0.195 0.000 0.437 42 L N -0.928 120.115 121.223 -0.300 0.000 2.046 42 L HA -0.327 nan 4.340 nan 0.000 0.208 42 L C 1.718 178.551 176.870 -0.061 0.000 1.077 42 L CA 3.080 57.837 54.840 -0.140 0.000 0.747 42 L CB -0.555 41.501 42.059 -0.004 0.000 0.896 42 L HN 0.007 8.103 8.230 -0.223 0.000 0.432 43 A N -2.036 120.753 122.820 -0.051 0.000 1.933 43 A HA -0.328 nan 4.320 nan 0.000 0.218 43 A C 2.691 180.253 177.584 -0.037 0.000 1.175 43 A CA 3.017 55.042 52.037 -0.021 0.000 0.628 43 A CB -0.974 18.006 19.000 -0.034 0.000 0.814 43 A HN 0.024 8.135 8.150 -0.066 0.000 0.444 44 E N -0.648 119.496 120.200 -0.093 0.000 2.153 44 E HA -0.295 nan 4.350 nan 0.000 0.194 44 E C 1.896 178.455 176.600 -0.069 0.000 0.988 44 E CA 2.256 58.601 56.400 -0.091 0.000 0.811 44 E CB -0.064 29.550 29.700 -0.144 0.000 0.746 44 E HN -0.537 7.742 8.360 -0.135 0.000 0.466 45 L N -3.024 118.146 121.223 -0.089 0.000 2.456 45 L HA -0.121 nan 4.340 nan 0.000 0.224 45 L C 0.672 177.574 176.870 0.053 0.000 1.148 45 L CA 0.622 55.441 54.840 -0.036 0.000 0.825 45 L CB 0.068 42.082 42.059 -0.075 0.000 0.937 45 L HN -0.395 7.750 8.230 -0.142 0.000 0.450 46 G N -3.633 105.214 108.800 0.079 0.000 2.144 46 G HA2 -0.351 nan 3.960 nan 0.000 0.218 46 G HA3 -0.351 nan 3.960 nan 0.000 0.218 46 G C -0.754 174.292 174.900 0.243 0.000 0.988 46 G CA -0.356 44.830 45.100 0.144 0.000 0.659 46 G HN -0.574 7.571 8.290 0.043 0.171 0.522 47 A N -1.633 121.343 122.820 0.261 0.000 2.346 47 A HA 0.009 nan 4.320 nan 0.000 0.252 47 A C -0.884 176.880 177.584 0.299 0.000 1.089 47 A CA -0.357 51.912 52.037 0.387 0.000 0.797 47 A CB 1.138 20.414 19.000 0.459 0.000 1.047 47 A HN -0.593 7.666 8.150 0.181 0.000 0.494 48 H N 0.254 119.448 119.070 0.207 0.000 2.654 48 H HA 0.220 nan 4.556 nan 0.000 0.264 48 H C -0.905 174.492 175.328 0.114 0.000 0.954 48 H CA -0.121 55.993 56.048 0.111 0.000 1.199 48 H CB 1.974 31.764 29.762 0.046 0.000 1.446 48 H HN 0.806 9.240 8.280 0.438 0.109 0.516 49 G N -4.543 104.322 108.800 0.108 0.000 2.451 49 G HA2 0.280 nan 3.960 nan 0.000 0.292 49 G HA3 0.280 nan 3.960 nan 0.000 0.292 49 G C -3.229 171.806 174.900 0.225 0.000 1.427 49 G CA 0.460 45.600 45.100 0.066 0.000 0.792 49 G HN -0.896 7.552 8.290 0.262 0.000 0.498 50 V N -6.228 113.825 119.914 0.232 0.000 3.040 50 V HA 0.932 nan 4.120 nan 0.000 0.312 50 V C -1.356 174.957 176.094 0.365 0.000 1.115 50 V CA -3.110 59.385 62.300 0.325 0.000 0.998 50 V CB 3.387 35.424 31.823 0.356 0.000 1.042 50 V HN 0.343 8.639 8.190 0.178 0.000 0.433 51 T N -2.528 112.248 114.554 0.371 0.000 2.888 51 T HA 0.936 nan 4.350 nan 0.000 0.288 51 T C -1.930 173.094 174.700 0.541 0.000 1.063 51 T CA -2.422 59.892 62.100 0.357 0.000 1.010 51 T CB 3.416 72.386 68.868 0.171 0.000 1.214 51 T HN 0.155 8.594 8.240 0.332 0.000 0.533 52 F N -4.923 115.228 119.950 0.335 0.000 2.719 52 F HA 0.582 nan 4.527 nan 0.000 0.309 52 F C -2.612 173.260 175.800 0.121 0.000 1.138 52 F CA -1.249 56.958 58.000 0.345 0.000 0.943 52 F CB 2.040 41.113 39.000 0.123 0.000 1.304 52 F HN -0.162 8.094 8.300 -0.073 0.000 0.445 53 H N 1.573 120.794 119.070 0.253 0.000 2.472 53 H HA 0.332 nan 4.556 nan 0.000 0.335 53 H C 1.230 176.705 175.328 0.244 0.000 1.136 53 H CA 0.358 56.425 56.048 0.033 0.000 1.264 53 H CB 1.932 31.677 29.762 -0.028 0.000 1.486 53 H HN 0.011 8.954 8.280 0.569 -0.321 0.517 54 D N 2.777 123.355 120.400 0.297 0.000 2.133 54 D HA -0.479 nan 4.640 nan 0.000 0.192 54 D C 1.629 178.064 176.300 0.225 0.000 1.001 54 D CA 3.519 57.710 54.000 0.318 0.000 0.844 54 D CB -0.447 40.484 40.800 0.218 0.000 0.944 54 D HN -0.136 8.341 8.370 0.179 0.000 0.447 55 D N -3.660 116.846 120.400 0.176 0.000 2.371 55 D HA -0.116 nan 4.640 nan 0.000 0.221 55 D C 0.805 177.180 176.300 0.126 0.000 0.986 55 D CA 1.557 55.635 54.000 0.130 0.000 0.899 55 D CB -0.923 39.934 40.800 0.096 0.000 0.902 55 D HN 0.318 8.781 8.370 0.155 0.000 0.530 56 D N -0.988 119.538 120.400 0.210 0.000 2.162 56 D HA -0.099 nan 4.640 nan 0.000 0.203 56 D C 0.756 177.104 176.300 0.080 0.000 0.967 56 D CA 2.188 56.320 54.000 0.220 0.000 0.840 56 D CB 0.204 41.243 40.800 0.398 0.000 0.972 56 D HN -0.389 7.991 8.370 0.292 0.165 0.482 57 L N -1.228 119.999 121.223 0.006 0.000 2.127 57 L HA -0.013 nan 4.340 nan 0.000 0.203 57 L C -0.531 176.205 176.870 -0.224 0.000 1.080 57 L CA 1.308 56.016 54.840 -0.220 0.000 0.768 57 L CB 1.782 43.524 42.059 -0.528 0.000 0.924 57 L HN -0.743 7.566 8.230 0.133 0.000 0.444 58 I N -1.744 118.734 120.570 -0.153 0.000 2.410 58 I HA 0.285 nan 4.170 nan 0.000 0.286 58 I C -2.682 173.352 176.117 -0.139 0.000 1.009 58 I CA -2.881 58.283 61.300 -0.226 0.000 1.111 58 I CB 1.346 39.309 38.000 -0.063 0.000 1.262 58 I HN -0.473 7.711 8.210 -0.044 0.000 0.443 59 P HA -0.075 nan 4.420 nan 0.000 0.263 59 P C -0.885 176.437 177.300 0.036 0.000 1.175 59 P CA -0.065 63.013 63.100 -0.037 0.000 0.761 59 P CB 0.513 32.186 31.700 -0.044 0.000 0.794 60 F N 5.195 125.151 119.950 0.010 0.000 2.602 60 F HA -0.322 nan 4.527 nan 0.000 0.385 60 F C 0.915 176.733 175.800 0.031 0.000 1.063 60 F CA 1.749 59.767 58.000 0.030 0.000 1.233 60 F CB 0.426 39.465 39.000 0.065 0.000 1.067 60 F HN 0.264 8.719 8.300 0.259 0.000 0.564 61 G N 6.757 115.109 108.800 -0.746 0.000 2.194 61 G HA2 -0.420 nan 3.960 nan 0.000 0.236 61 G HA3 -0.420 nan 3.960 nan 0.000 0.236 61 G C -0.089 174.686 174.900 -0.209 0.000 0.987 61 G CA -0.302 44.505 45.100 -0.488 0.000 0.635 61 G HN 0.211 7.938 8.290 -0.939 0.000 0.520 62 S N 4.300 119.922 115.700 -0.130 0.000 2.563 62 S HA -0.073 nan 4.470 nan 0.000 0.294 62 S C 0.241 174.818 174.600 -0.039 0.000 1.279 62 S CA 1.244 59.422 58.200 -0.038 0.000 1.069 62 S CB 0.497 63.708 63.200 0.019 0.000 0.828 62 S HN -0.374 7.793 8.310 -0.141 0.058 0.497 63 S N 4.785 120.478 115.700 -0.011 0.000 2.580 63 S HA -0.072 nan 4.470 nan 0.000 0.266 63 S C 1.054 175.659 174.600 0.008 0.000 1.354 63 S CA 0.670 58.866 58.200 -0.007 0.000 1.008 63 S CB 0.981 64.182 63.200 0.002 0.000 0.898 63 S HN -0.054 8.526 8.310 0.002 -0.268 0.555 64 D N 1.146 121.550 120.400 0.008 0.000 2.221 64 D HA -0.187 nan 4.640 nan 0.000 0.204 64 D C 2.113 178.428 176.300 0.025 0.000 0.982 64 D CA 3.688 57.699 54.000 0.018 0.000 0.857 64 D CB -0.397 40.413 40.800 0.016 0.000 0.934 64 D HN 0.514 8.885 8.370 0.002 0.000 0.475 65 T N 0.456 115.022 114.554 0.020 0.000 3.044 65 T HA 0.058 nan 4.350 nan 0.000 0.255 65 T C 1.766 176.475 174.700 0.014 0.000 1.073 65 T CA 2.949 65.058 62.100 0.015 0.000 1.125 65 T CB -0.207 68.666 68.868 0.008 0.000 0.908 65 T HN -0.528 7.680 8.240 0.016 0.041 0.480 66 E N 1.823 122.044 120.200 0.034 0.000 2.152 66 E HA -0.237 nan 4.350 nan 0.000 0.192 66 E C 2.215 178.904 176.600 0.149 0.000 0.983 66 E CA 3.236 59.672 56.400 0.060 0.000 0.818 66 E CB -0.108 29.659 29.700 0.112 0.000 0.758 66 E HN -0.294 8.086 8.360 0.034 0.000 0.467 67 R N -0.005 120.572 120.500 0.127 0.000 2.080 67 R HA -0.383 nan 4.340 nan 0.000 0.236 67 R C 1.489 177.855 176.300 0.109 0.000 1.137 67 R CA 3.654 59.836 56.100 0.137 0.000 0.943 67 R CB -0.120 30.223 30.300 0.071 0.000 0.846 67 R HN 0.233 8.551 8.270 0.080 0.000 0.431 68 E N -1.275 118.960 120.200 0.058 0.000 2.086 68 E HA -0.416 nan 4.350 nan 0.000 0.205 68 E C 2.317 178.927 176.600 0.018 0.000 1.027 68 E CA 3.307 59.729 56.400 0.036 0.000 0.830 68 E CB -0.374 29.338 29.700 0.021 0.000 0.751 68 E HN -0.444 7.946 8.360 0.050 0.000 0.456 69 S N -1.119 114.563 115.700 -0.031 0.000 2.383 69 S HA -0.246 nan 4.470 nan 0.000 0.227 69 S C 2.511 177.038 174.600 -0.123 0.000 1.026 69 S CA 3.339 61.481 58.200 -0.096 0.000 0.981 69 S CB -0.301 62.799 63.200 -0.166 0.000 0.818 69 S HN -0.670 7.620 8.310 -0.033 0.000 0.472 70 H N 3.180 122.265 119.070 0.024 0.000 2.321 70 H HA -0.238 nan 4.556 nan 0.000 0.300 70 H C 2.675 178.023 175.328 0.033 0.000 1.087 70 H CA 4.197 60.257 56.048 0.020 0.000 1.319 70 H CB 0.123 29.881 29.762 -0.007 0.000 1.379 70 H HN -0.646 7.587 8.280 -0.079 0.000 0.501 71 I N -1.016 119.641 120.570 0.146 0.000 2.179 71 I HA -0.602 nan 4.170 nan 0.000 0.242 71 I C 1.286 177.483 176.117 0.132 0.000 1.088 71 I CA 4.119 65.489 61.300 0.116 0.000 1.357 71 I CB -0.161 37.891 38.000 0.086 0.000 1.051 71 I HN 0.287 8.587 8.210 0.151 0.000 0.409 72 K N -0.186 120.261 120.400 0.079 0.000 2.032 72 K HA -0.404 nan 4.320 nan 0.000 0.209 72 K C 2.280 178.918 176.600 0.064 0.000 1.048 72 K CA 3.676 59.997 56.287 0.057 0.000 0.927 72 K CB -0.277 32.237 32.500 0.024 0.000 0.712 72 K HN -0.040 8.073 8.250 0.059 0.172 0.441 73 R N -2.124 118.420 120.500 0.073 0.000 2.091 73 R HA -0.364 nan 4.340 nan 0.000 0.238 73 R C 2.505 178.878 176.300 0.121 0.000 1.136 73 R CA 3.138 59.286 56.100 0.080 0.000 0.959 73 R CB -0.219 30.132 30.300 0.084 0.000 0.856 73 R HN -0.379 7.925 8.270 0.057 0.000 0.437 74 F N 0.822 120.772 119.950 -0.000 0.000 2.102 74 F HA -0.313 nan 4.527 nan 0.000 0.298 74 F C 1.277 177.064 175.800 -0.021 0.000 1.105 74 F CA 2.960 60.951 58.000 -0.016 0.000 1.239 74 F CB 0.101 39.067 39.000 -0.056 0.000 0.991 74 F HN -0.286 8.184 8.300 0.284 0.000 0.474 75 R N -1.377 119.127 120.500 0.007 0.000 2.148 75 R HA -0.425 nan 4.340 nan 0.000 0.227 75 R C 2.017 178.248 176.300 -0.115 0.000 1.103 75 R CA 3.354 59.388 56.100 -0.110 0.000 0.983 75 R CB -0.346 29.959 30.300 0.008 0.000 0.874 75 R HN 0.024 8.389 8.270 0.158 0.000 0.451 76 Q N -0.242 119.521 119.800 -0.062 0.000 2.083 76 Q HA -0.234 nan 4.340 nan 0.000 0.198 76 Q C 1.996 177.950 176.000 -0.078 0.000 0.969 76 Q CA 3.179 58.952 55.803 -0.051 0.000 0.838 76 Q CB -0.163 28.565 28.738 -0.017 0.000 0.900 76 Q HN -0.342 7.797 8.270 -0.020 0.119 0.436 77 A N -0.016 122.743 122.820 -0.102 0.000 1.930 77 A HA -0.219 nan 4.320 nan 0.000 0.217 77 A C 2.169 179.652 177.584 -0.168 0.000 1.175 77 A CA 2.930 54.900 52.037 -0.111 0.000 0.627 77 A CB -0.766 18.180 19.000 -0.091 0.000 0.815 77 A HN -0.237 7.774 8.150 -0.091 0.085 0.443 78 L N -2.095 118.965 121.223 -0.271 0.000 2.005 78 L HA -0.519 nan 4.340 nan 0.000 0.207 78 L C 2.033 178.811 176.870 -0.153 0.000 1.072 78 L CA 3.081 57.762 54.840 -0.264 0.000 0.744 78 L CB -0.532 41.303 42.059 -0.374 0.000 0.895 78 L HN -0.262 7.764 8.230 -0.341 0.000 0.433 79 D N -0.623 119.701 120.400 -0.125 0.000 2.133 79 D HA -0.326 nan 4.640 nan 0.000 0.195 79 D C 2.068 178.330 176.300 -0.064 0.000 0.997 79 D CA 3.129 57.082 54.000 -0.079 0.000 0.840 79 D CB -0.444 40.321 40.800 -0.060 0.000 0.947 79 D HN -0.198 8.087 8.370 -0.143 0.000 0.452 80 A N -2.064 120.716 122.820 -0.066 0.000 2.015 80 A HA -0.128 nan 4.320 nan 0.000 0.219 80 A C 1.111 178.665 177.584 -0.051 0.000 1.163 80 A CA 2.265 54.272 52.037 -0.051 0.000 0.646 80 A CB 0.095 19.067 19.000 -0.047 0.000 0.806 80 A HN -0.193 7.904 8.150 -0.077 0.008 0.448 81 T N -7.101 107.414 114.554 -0.065 0.000 3.014 81 T HA 0.117 nan 4.350 nan 0.000 0.250 81 T C 1.504 176.172 174.700 -0.052 0.000 1.060 81 T CA -0.605 61.461 62.100 -0.056 0.000 1.040 81 T CB 0.632 69.462 68.868 -0.064 0.000 0.971 81 T HN -0.408 7.640 8.240 -0.082 0.143 0.497 82 G N 2.499 111.261 108.800 -0.063 0.000 2.143 82 G HA2 -0.430 nan 3.960 nan 0.000 0.248 82 G HA3 -0.430 nan 3.960 nan 0.000 0.248 82 G C -0.551 174.293 174.900 -0.092 0.000 0.991 82 G CA 0.197 45.260 45.100 -0.062 0.000 0.689 82 G HN -0.136 8.112 8.290 -0.070 0.000 0.522 83 M N 1.067 120.602 119.600 -0.108 0.000 2.233 83 M HA 0.098 nan 4.480 nan 0.000 0.350 83 M C 0.394 176.604 176.300 -0.150 0.000 1.176 83 M CA -0.148 55.073 55.300 -0.132 0.000 1.150 83 M CB 0.677 33.220 32.600 -0.095 0.000 1.530 83 M HN -0.750 7.440 8.290 -0.104 0.038 0.459 84 T N -2.061 112.376 114.554 -0.194 0.000 2.936 84 T HA 0.425 nan 4.350 nan 0.000 0.282 84 T C -1.441 173.253 174.700 -0.010 0.000 1.003 84 T CA -2.205 59.819 62.100 -0.128 0.000 1.005 84 T CB 2.789 71.531 68.868 -0.210 0.000 1.097 84 T HN -0.045 8.028 8.240 -0.278 0.000 0.532 85 V N 0.343 120.293 119.914 0.061 0.000 2.327 85 V HA 0.305 nan 4.120 nan 0.000 0.272 85 V C -1.588 174.583 176.094 0.129 0.000 1.019 85 V CA -2.369 60.036 62.300 0.175 0.000 0.814 85 V CB -0.287 31.717 31.823 0.302 0.000 1.040 85 V HN 0.584 8.797 8.190 0.038 0.000 0.440 86 P HA 0.067 nan 4.420 nan 0.000 0.225 86 P C -1.752 175.571 177.300 0.039 0.000 1.156 86 P CA 1.196 64.347 63.100 0.084 0.000 0.787 86 P CB 0.978 32.750 31.700 0.120 0.000 0.802 87 M N -4.347 115.250 119.600 -0.005 0.000 2.534 87 M HA 0.447 nan 4.480 nan 0.000 0.280 87 M C -3.007 173.147 176.300 -0.244 0.000 1.217 87 M CA -0.994 54.209 55.300 -0.160 0.000 0.893 87 M CB 3.661 36.064 32.600 -0.329 0.000 1.730 87 M HN -0.630 7.648 8.290 0.048 0.041 0.483 88 A N 0.588 123.145 122.820 -0.439 0.000 2.593 88 A HA 0.773 nan 4.320 nan 0.000 0.290 88 A C -2.886 174.116 177.584 -0.971 0.000 1.126 88 A CA -0.694 50.900 52.037 -0.739 0.000 0.695 88 A CB 3.841 22.320 19.000 -0.868 0.000 1.290 88 A HN 0.042 7.936 8.150 -0.426 0.000 0.414 89 T N -1.245 112.780 114.554 -0.881 0.000 2.762 89 T HA 0.650 nan 4.350 nan 0.000 0.301 89 T C -1.859 172.687 174.700 -0.257 0.000 1.299 89 T CA -1.048 60.626 62.100 -0.710 0.000 1.005 89 T CB 2.777 71.343 68.868 -0.504 0.000 1.377 89 T HN 0.094 7.846 8.240 -0.814 0.000 0.504 90 T N 3.242 117.802 114.554 0.011 0.000 2.855 90 T HA 0.491 nan 4.350 nan 0.000 0.281 90 T C -0.985 173.761 174.700 0.077 0.000 1.007 90 T CA -1.525 60.636 62.100 0.102 0.000 1.009 90 T CB 1.145 70.079 68.868 0.112 0.000 0.983 90 T HN 0.324 8.571 8.240 0.012 0.000 0.455 91 N N 4.034 122.683 118.700 -0.085 0.000 2.415 91 N HA 0.156 nan 4.740 nan 0.000 0.246 91 N C -1.011 174.112 175.510 -0.644 0.000 1.078 91 N CA -0.825 51.889 53.050 -0.559 0.000 0.942 91 N CB 0.193 38.282 38.487 -0.662 0.000 1.140 91 N HN 0.461 9.199 8.380 -0.025 -0.372 0.501 92 L N 5.171 125.960 121.223 -0.724 0.000 3.100 92 L HA 0.304 nan 4.340 nan 0.000 0.259 92 L C -1.267 175.133 176.870 -0.783 0.000 1.316 92 L CA -0.661 53.468 54.840 -1.185 0.000 0.992 92 L CB -0.979 40.450 42.059 -1.050 0.000 1.390 92 L HN 0.045 8.019 8.230 -0.427 0.000 0.550 93 F N -5.689 114.047 119.950 -0.357 0.000 2.743 93 F HA 0.352 nan 4.527 nan 0.000 0.356 93 F C 0.730 176.522 175.800 -0.014 0.000 0.845 93 F CA 0.459 58.348 58.000 -0.186 0.000 1.058 93 F CB 0.447 39.277 39.000 -0.283 0.000 0.952 93 F HN -0.062 7.913 8.300 -0.970 -0.257 0.620 94 T N 1.928 116.368 114.554 -0.190 0.000 2.770 94 T HA -0.189 nan 4.350 nan 0.000 0.263 94 T C 0.346 175.029 174.700 -0.028 0.000 1.039 94 T CA 4.007 66.085 62.100 -0.038 0.000 1.142 94 T CB -0.164 68.611 68.868 -0.154 0.000 0.868 94 T HN -0.182 7.972 8.240 -0.742 -0.359 0.435 95 H N 3.112 122.113 119.070 -0.114 0.000 2.848 95 H HA 0.131 nan 4.556 nan 0.000 0.341 95 H C -0.365 174.859 175.328 -0.174 0.000 1.060 95 H CA -1.825 54.072 56.048 -0.250 0.000 1.444 95 H CB 0.830 30.268 29.762 -0.539 0.000 1.446 95 H HN -0.320 8.015 8.280 0.091 0.000 0.583 96 P HA -0.272 nan 4.420 nan 0.000 0.225 96 P C 0.791 177.992 177.300 -0.165 0.000 1.148 96 P CA 2.006 64.945 63.100 -0.268 0.000 0.779 96 P CB -0.135 31.384 31.700 -0.302 0.000 0.780 97 V N -0.984 118.862 119.914 -0.113 0.000 2.594 97 V HA -0.262 nan 4.120 nan 0.000 0.253 97 V C 1.102 176.989 176.094 -0.345 0.000 1.069 97 V CA 2.715 64.855 62.300 -0.266 0.000 1.082 97 V CB -0.490 31.077 31.823 -0.426 0.000 0.680 97 V HN -0.611 7.671 8.190 0.206 0.031 0.469 98 F N -3.014 116.948 119.950 0.021 0.000 2.693 98 F HA 0.129 nan 4.527 nan 0.000 0.303 98 F C 1.139 176.913 175.800 -0.043 0.000 1.143 98 F CA -1.434 56.554 58.000 -0.020 0.000 1.389 98 F CB -1.724 37.246 39.000 -0.049 0.000 1.060 98 F HN -0.441 7.688 8.300 -0.242 0.026 0.535 99 K N 0.376 120.814 120.400 0.064 0.000 2.209 99 K HA -0.335 nan 4.320 nan 0.000 0.204 99 K C 0.672 177.282 176.600 0.017 0.000 1.048 99 K CA 2.905 59.205 56.287 0.022 0.000 0.940 99 K CB -0.682 31.806 32.500 -0.020 0.000 0.729 99 K HN -0.641 7.529 8.250 0.002 0.081 0.451 100 D N -1.428 118.989 120.400 0.029 0.000 2.463 100 D HA 0.133 nan 4.640 nan 0.000 0.224 100 D C -1.212 175.102 176.300 0.023 0.000 1.174 100 D CA -1.489 52.520 54.000 0.015 0.000 0.829 100 D CB 1.003 41.809 40.800 0.010 0.000 0.993 100 D HN -0.346 8.033 8.370 0.040 0.015 0.497 101 G N -2.721 106.108 108.800 0.048 0.000 2.525 101 G HA2 -0.296 nan 3.960 nan 0.000 0.685 101 G HA3 -0.296 nan 3.960 nan 0.000 0.685 101 G C -1.305 173.672 174.900 0.128 0.000 1.290 101 G CA -0.564 44.542 45.100 0.009 0.000 0.915 101 G HN -0.598 7.547 8.290 0.079 0.192 0.548 102 G N -0.936 107.842 108.800 -0.036 0.000 2.531 102 G HA2 0.313 nan 3.960 nan 0.000 0.210 102 G HA3 0.313 nan 3.960 nan 0.000 0.210 102 G C 0.880 175.829 174.900 0.081 0.000 1.547 102 G CA 0.295 45.381 45.100 -0.024 0.000 0.740 102 G HN -0.008 8.681 8.290 -0.165 -0.498 0.611 103 F N 0.216 120.117 119.950 -0.082 0.000 2.407 103 F HA 0.003 nan 4.527 nan 0.000 0.299 103 F C 0.595 176.370 175.800 -0.042 0.000 1.097 103 F CA -0.185 57.762 58.000 -0.088 0.000 1.422 103 F CB 0.062 38.960 39.000 -0.170 0.000 1.067 103 F HN -0.633 7.580 8.300 -0.429 -0.171 0.539 104 T N -7.894 106.739 114.554 0.132 0.000 3.252 104 T HA 0.229 nan 4.350 nan 0.000 0.286 104 T C -0.670 174.063 174.700 0.054 0.000 1.013 104 T CA -2.262 59.886 62.100 0.080 0.000 0.914 104 T CB 0.420 69.317 68.868 0.048 0.000 1.131 104 T HN -0.369 8.143 8.240 0.068 -0.231 0.529 105 A N 1.320 124.184 122.820 0.074 0.000 2.520 105 A HA -0.131 nan 4.320 nan 0.000 0.235 105 A C 0.586 178.199 177.584 0.049 0.000 1.065 105 A CA 0.605 52.681 52.037 0.065 0.000 0.764 105 A CB 0.337 19.396 19.000 0.098 0.000 1.002 105 A HN -0.753 7.458 8.150 0.101 0.000 0.502 106 N N 2.768 121.487 118.700 0.031 0.000 2.223 106 N HA -0.275 nan 4.740 nan 0.000 0.185 106 N C -0.013 175.511 175.510 0.025 0.000 1.016 106 N CA 1.947 55.011 53.050 0.024 0.000 0.863 106 N CB 0.003 38.498 38.487 0.013 0.000 0.983 106 N HN 0.003 8.663 8.380 0.025 -0.265 0.429 107 D N -0.632 119.783 120.400 0.026 0.000 2.343 107 D HA 0.057 nan 4.640 nan 0.000 0.255 107 D C 0.176 176.499 176.300 0.037 0.000 1.187 107 D CA 0.476 54.490 54.000 0.022 0.000 0.875 107 D CB 0.503 41.310 40.800 0.010 0.000 1.136 107 D HN -0.280 8.092 8.370 0.026 0.014 0.469 108 R N 4.197 124.715 120.500 0.031 0.000 2.096 108 R HA -0.394 nan 4.340 nan 0.000 0.235 108 R C 1.080 177.409 176.300 0.049 0.000 1.127 108 R CA 4.034 60.157 56.100 0.038 0.000 0.968 108 R CB 0.089 30.404 30.300 0.026 0.000 0.861 108 R HN 0.465 8.748 8.270 0.022 0.000 0.440 109 D N -3.552 116.871 120.400 0.038 0.000 2.178 109 D HA -0.148 nan 4.640 nan 0.000 0.202 109 D C 2.034 178.383 176.300 0.082 0.000 0.974 109 D CA 2.764 56.791 54.000 0.045 0.000 0.841 109 D CB -1.543 39.265 40.800 0.013 0.000 0.953 109 D HN 0.331 8.716 8.370 0.024 0.000 0.478 110 V N 1.226 121.185 119.914 0.075 0.000 2.427 110 V HA -0.317 nan 4.120 nan 0.000 0.248 110 V C 2.339 178.567 176.094 0.224 0.000 1.051 110 V CA 3.510 65.888 62.300 0.130 0.000 1.048 110 V CB -0.629 31.238 31.823 0.072 0.000 0.666 110 V HN -0.787 7.421 8.190 0.048 0.011 0.456 111 R N -1.195 119.403 120.500 0.164 0.000 2.096 111 R HA -0.371 nan 4.340 nan 0.000 0.235 111 R C 2.394 178.789 176.300 0.158 0.000 1.127 111 R CA 3.952 60.155 56.100 0.172 0.000 0.968 111 R CB -0.446 29.920 30.300 0.111 0.000 0.861 111 R HN -0.453 7.805 8.270 0.118 0.083 0.440 112 R N -0.976 119.600 120.500 0.127 0.000 2.066 112 R HA -0.328 nan 4.340 nan 0.000 0.232 112 R C 2.396 178.779 176.300 0.138 0.000 1.131 112 R CA 3.468 59.627 56.100 0.098 0.000 0.955 112 R CB -0.170 30.178 30.300 0.081 0.000 0.851 112 R HN -0.363 7.978 8.270 0.118 0.000 0.432 113 Y N 0.655 120.998 120.300 0.072 0.000 2.128 113 Y HA -0.484 nan 4.550 nan 0.000 0.284 113 Y C 1.167 177.166 175.900 0.165 0.000 1.154 113 Y CA 3.047 61.201 58.100 0.090 0.000 1.149 113 Y CB -0.221 38.275 38.460 0.060 0.000 0.976 113 Y HN -0.236 8.230 8.280 0.310 0.000 0.505 114 A N -0.862 122.057 122.820 0.166 0.000 1.908 114 A HA -0.390 nan 4.320 nan 0.000 0.218 114 A C 2.050 179.686 177.584 0.087 0.000 1.181 114 A CA 3.195 55.321 52.037 0.149 0.000 0.627 114 A CB -1.030 18.132 19.000 0.270 0.000 0.818 114 A HN 0.044 8.403 8.150 0.348 0.000 0.445 115 L N -3.034 118.245 121.223 0.093 0.000 2.141 115 L HA -0.358 nan 4.340 nan 0.000 0.209 115 L C 2.468 179.289 176.870 -0.081 0.000 1.094 115 L CA 2.783 57.623 54.840 0.000 0.000 0.763 115 L CB -0.341 41.668 42.059 -0.083 0.000 0.908 115 L HN -0.294 8.003 8.230 0.112 0.000 0.437 116 R N -1.448 118.992 120.500 -0.099 0.000 2.090 116 R HA -0.281 nan 4.340 nan 0.000 0.228 116 R C 2.309 178.519 176.300 -0.151 0.000 1.110 116 R CA 2.251 58.276 56.100 -0.125 0.000 0.973 116 R CB -0.707 29.549 30.300 -0.074 0.000 0.869 116 R HN -0.144 7.994 8.270 -0.071 0.089 0.440 117 K N -0.199 120.065 120.400 -0.227 0.000 2.097 117 K HA -0.245 nan 4.320 nan 0.000 0.205 117 K C 2.267 178.833 176.600 -0.057 0.000 1.050 117 K CA 3.507 59.688 56.287 -0.176 0.000 0.938 117 K CB -0.135 32.199 32.500 -0.278 0.000 0.718 117 K HN 0.181 8.242 8.250 -0.316 0.000 0.442 118 T N 2.334 116.868 114.554 -0.033 0.000 2.737 118 T HA -0.230 nan 4.350 nan 0.000 0.265 118 T C 2.197 176.862 174.700 -0.059 0.000 1.038 118 T CA 4.846 66.966 62.100 0.034 0.000 1.144 118 T CB -0.459 68.482 68.868 0.122 0.000 0.866 118 T HN -0.486 7.725 8.240 -0.048 0.000 0.434 119 I N 1.426 121.912 120.570 -0.140 0.000 2.286 119 I HA -0.539 nan 4.170 nan 0.000 0.248 119 I C 1.173 177.222 176.117 -0.113 0.000 1.115 119 I CA 4.052 65.206 61.300 -0.243 0.000 1.392 119 I CB -0.441 37.261 38.000 -0.497 0.000 1.065 119 I HN -0.248 7.876 8.210 -0.143 0.000 0.418 120 R N -0.817 119.644 120.500 -0.064 0.000 2.081 120 R HA -0.430 nan 4.340 nan 0.000 0.235 120 R C 2.023 178.362 176.300 0.065 0.000 1.131 120 R CA 4.336 60.441 56.100 0.009 0.000 0.960 120 R CB -0.306 29.996 30.300 0.003 0.000 0.856 120 R HN -0.424 7.780 8.270 -0.086 0.015 0.436 121 N N -1.594 117.154 118.700 0.081 0.000 2.354 121 N HA -0.128 nan 4.740 nan 0.000 0.179 121 N C 2.012 177.606 175.510 0.140 0.000 1.021 121 N CA 2.358 55.514 53.050 0.177 0.000 0.887 121 N CB -0.429 38.220 38.487 0.270 0.000 0.974 121 N HN -0.781 7.542 8.380 0.051 0.088 0.437 122 I N 1.270 121.792 120.570 -0.081 0.000 2.179 122 I HA -0.619 nan 4.170 nan 0.000 0.242 122 I C 1.151 177.260 176.117 -0.013 0.000 1.088 122 I CA 4.686 65.871 61.300 -0.191 0.000 1.357 122 I CB -0.263 37.623 38.000 -0.189 0.000 1.051 122 I HN 0.048 8.102 8.210 -0.117 0.086 0.409 123 D N -0.441 120.016 120.400 0.094 0.000 2.149 123 D HA -0.308 nan 4.640 nan 0.000 0.198 123 D C 2.578 178.902 176.300 0.041 0.000 0.990 123 D CA 3.413 57.464 54.000 0.084 0.000 0.839 123 D CB -0.503 40.416 40.800 0.198 0.000 0.948 123 D HN -0.442 8.004 8.370 0.127 0.000 0.460 124 L N -0.328 120.963 121.223 0.113 0.000 2.056 124 L HA -0.230 nan 4.340 nan 0.000 0.207 124 L C 1.271 178.261 176.870 0.201 0.000 1.078 124 L CA 2.838 57.774 54.840 0.160 0.000 0.749 124 L CB -0.520 41.673 42.059 0.222 0.000 0.901 124 L HN -0.827 7.481 8.230 0.129 0.000 0.433 125 A N -0.648 122.312 122.820 0.233 0.000 1.933 125 A HA -0.336 nan 4.320 nan 0.000 0.218 125 A C 2.279 179.916 177.584 0.089 0.000 1.175 125 A CA 3.342 55.522 52.037 0.237 0.000 0.628 125 A CB -0.810 18.340 19.000 0.250 0.000 0.814 125 A HN 0.175 8.461 8.150 0.227 0.000 0.444 126 V N -1.697 118.180 119.914 -0.063 0.000 2.407 126 V HA -0.433 nan 4.120 nan 0.000 0.248 126 V C 2.843 178.879 176.094 -0.096 0.000 1.055 126 V CA 4.147 66.329 62.300 -0.198 0.000 1.049 126 V CB -0.990 30.459 31.823 -0.623 0.000 0.662 126 V HN 0.039 8.175 8.190 -0.088 0.000 0.455 127 E N -0.292 119.890 120.200 -0.030 0.000 2.216 127 E HA -0.228 nan 4.350 nan 0.000 0.192 127 E C 1.888 178.517 176.600 0.048 0.000 0.988 127 E CA 2.393 58.801 56.400 0.013 0.000 0.834 127 E CB -0.370 29.352 29.700 0.037 0.000 0.772 127 E HN -0.543 7.722 8.360 -0.017 0.085 0.479 128 L N -2.065 119.216 121.223 0.096 0.000 2.552 128 L HA -0.081 nan 4.340 nan 0.000 0.227 128 L C -0.237 176.689 176.870 0.094 0.000 1.146 128 L CA -0.320 54.595 54.840 0.126 0.000 0.858 128 L CB -0.296 41.912 42.059 0.247 0.000 0.969 128 L HN -0.409 7.892 8.230 0.118 0.000 0.451 129 G N -4.431 104.403 108.800 0.058 0.000 2.159 129 G HA2 -0.315 nan 3.960 nan 0.000 0.227 129 G HA3 -0.315 nan 3.960 nan 0.000 0.227 129 G C -0.731 174.189 174.900 0.033 0.000 0.986 129 G CA -0.345 44.773 45.100 0.031 0.000 0.651 129 G HN -0.726 7.422 8.290 0.043 0.168 0.523 130 A N 0.241 123.093 122.820 0.053 0.000 2.488 130 A HA -0.012 nan 4.320 nan 0.000 0.249 130 A C 0.116 177.694 177.584 -0.011 0.000 1.083 130 A CA 0.237 52.296 52.037 0.036 0.000 0.768 130 A CB 0.392 19.421 19.000 0.048 0.000 1.017 130 A HN -0.269 7.928 8.150 0.078 0.000 0.496 131 K N 2.378 122.765 120.400 -0.022 0.000 2.353 131 K HA 0.183 nan 4.320 nan 0.000 0.195 131 K C -0.460 176.094 176.600 -0.077 0.000 1.031 131 K CA -0.439 55.814 56.287 -0.057 0.000 1.079 131 K CB 0.907 33.372 32.500 -0.058 0.000 0.857 131 K HN -0.044 8.202 8.250 -0.006 0.000 0.535 132 T N 2.034 116.554 114.554 -0.056 0.000 2.824 132 T HA 0.500 nan 4.350 nan 0.000 0.282 132 T C -2.351 172.301 174.700 -0.080 0.000 0.993 132 T CA 0.260 62.325 62.100 -0.058 0.000 0.967 132 T CB 2.462 71.311 68.868 -0.031 0.000 0.960 132 T HN -0.588 7.625 8.240 -0.045 0.000 0.441 133 Y N 6.784 126.999 120.300 -0.141 0.000 2.328 133 Y HA 0.419 nan 4.550 nan 0.000 0.333 133 Y C -2.119 173.851 175.900 0.116 0.000 0.958 133 Y CA -1.141 56.921 58.100 -0.063 0.000 1.167 133 Y CB 2.521 40.918 38.460 -0.104 0.000 1.151 133 Y HN 0.805 9.076 8.280 -0.015 0.000 0.470 134 V N 8.193 127.947 119.914 -0.267 0.000 2.567 134 V HA 0.416 nan 4.120 nan 0.000 0.289 134 V C -1.966 174.210 176.094 0.138 0.000 1.049 134 V CA -1.276 61.011 62.300 -0.020 0.000 0.969 134 V CB 1.518 33.256 31.823 -0.140 0.000 0.995 134 V HN 0.413 8.224 8.190 -0.633 0.000 0.471 135 A N 5.626 128.651 122.820 0.343 0.000 2.267 135 A HA 0.542 nan 4.320 nan 0.000 0.315 135 A C -2.547 175.235 177.584 0.330 0.000 1.297 135 A CA -1.512 50.758 52.037 0.389 0.000 0.865 135 A CB 1.984 21.396 19.000 0.686 0.000 1.165 135 A HN 0.385 8.754 8.150 0.364 0.000 0.513 136 W N 5.691 127.029 121.300 0.063 0.000 2.363 136 W HA 0.250 nan 4.660 nan 0.000 0.314 136 W C -0.646 175.841 176.519 -0.052 0.000 0.994 136 W CA -1.985 55.368 57.345 0.012 0.000 1.449 136 W CB 1.044 30.487 29.460 -0.028 0.000 1.248 136 W HN 0.438 8.783 8.180 0.275 0.000 0.409 137 G N 7.529 116.096 108.800 -0.387 0.000 3.008 137 G HA2 -0.091 nan 3.960 nan 0.000 0.272 137 G HA3 -0.091 nan 3.960 nan 0.000 0.272 137 G C 0.143 174.508 174.900 -0.892 0.000 0.764 137 G CA -0.768 43.997 45.100 -0.559 0.000 2.029 137 G HN 0.462 8.684 8.290 -0.114 0.000 0.587 138 G N 1.678 109.508 108.800 -1.617 0.000 2.443 138 G HA2 -0.240 nan 3.960 nan 0.000 0.219 138 G HA3 -0.240 nan 3.960 nan 0.000 0.219 138 G C -0.182 174.278 174.900 -0.733 0.000 1.131 138 G CA 0.992 45.040 45.100 -1.753 0.000 0.775 138 G HN -0.000 7.249 8.290 -1.663 0.043 0.547 139 R N -3.447 116.744 120.500 -0.516 0.000 2.393 139 R HA 0.228 nan 4.340 nan 0.000 0.244 139 R C -0.874 175.303 176.300 -0.205 0.000 0.920 139 R CA -1.942 54.003 56.100 -0.259 0.000 1.076 139 R CB -0.303 29.914 30.300 -0.139 0.000 1.119 139 R HN -0.021 7.877 8.270 -0.578 0.026 0.524 140 E N 1.202 121.251 120.200 -0.251 0.000 2.070 140 E HA 0.100 nan 4.350 nan 0.000 0.282 140 E C -0.665 175.858 176.600 -0.128 0.000 1.104 140 E CA -0.479 55.822 56.400 -0.165 0.000 0.876 140 E CB -0.750 28.848 29.700 -0.170 0.000 1.055 140 E HN -0.744 7.232 8.360 -0.353 0.172 0.401 141 G N 2.102 110.850 108.800 -0.086 0.000 2.441 141 G HA2 0.218 nan 3.960 nan 0.000 0.222 141 G HA3 0.218 nan 3.960 nan 0.000 0.222 141 G C -2.886 171.984 174.900 -0.050 0.000 1.254 141 G CA 0.442 45.500 45.100 -0.071 0.000 0.959 141 G HN -0.359 7.889 8.290 -0.070 0.000 0.474 142 A N -1.404 121.390 122.820 -0.044 0.000 2.597 142 A HA 0.390 nan 4.320 nan 0.000 0.292 142 A C -1.916 175.652 177.584 -0.027 0.000 1.057 142 A CA 0.004 52.023 52.037 -0.031 0.000 0.674 142 A CB 2.135 21.121 19.000 -0.023 0.000 1.278 142 A HN -0.271 7.849 8.150 -0.050 0.000 0.416 143 E N -0.964 119.224 120.200 -0.021 0.000 2.431 143 E HA 0.117 nan 4.350 nan 0.000 0.200 143 E C -0.433 176.160 176.600 -0.011 0.000 0.995 143 E CA 0.507 56.897 56.400 -0.016 0.000 0.915 143 E CB 0.678 30.370 29.700 -0.013 0.000 0.930 143 E HN 0.541 8.890 8.360 -0.020 0.000 0.496 144 S N -2.712 112.981 115.700 -0.011 0.000 2.632 144 S HA 0.226 nan 4.470 nan 0.000 0.289 144 S C 1.040 175.636 174.600 -0.007 0.000 1.115 144 S CA -1.241 56.955 58.200 -0.007 0.000 0.889 144 S CB 3.091 66.287 63.200 -0.006 0.000 1.116 144 S HN -0.508 7.794 8.310 -0.013 0.000 0.486 145 G N 0.716 109.513 108.800 -0.004 0.000 2.394 145 G HA2 -0.154 nan 3.960 nan 0.000 0.214 145 G HA3 -0.154 nan 3.960 nan 0.000 0.214 145 G C 1.128 176.028 174.900 -0.001 0.000 1.176 145 G CA 1.194 46.292 45.100 -0.002 0.000 0.786 145 G HN 0.306 8.594 8.290 -0.003 0.000 0.533 146 A N 0.314 123.133 122.820 -0.001 0.000 2.238 146 A HA 0.203 nan 4.320 nan 0.000 0.208 146 A C 0.498 178.082 177.584 -0.001 0.000 1.177 146 A CA 0.330 52.368 52.037 0.000 0.000 0.804 146 A CB -0.814 18.186 19.000 0.001 0.000 0.823 146 A HN 0.009 8.158 8.150 -0.001 0.000 0.482 147 A N -2.129 120.689 122.820 -0.003 0.000 2.121 147 A HA -0.097 nan 4.320 nan 0.000 0.218 147 A C -0.242 177.341 177.584 -0.003 0.000 1.154 147 A CA 1.002 53.036 52.037 -0.004 0.000 0.679 147 A CB 0.310 19.306 19.000 -0.007 0.000 0.795 147 A HN -0.298 7.788 8.150 -0.004 0.062 0.458 148 K N -1.362 119.036 120.400 -0.002 0.000 2.565 148 K HA 0.124 nan 4.320 nan 0.000 0.249 148 K C -2.191 174.411 176.600 0.003 0.000 0.958 148 K CA -0.740 55.547 56.287 -0.000 0.000 0.806 148 K CB 1.774 34.270 32.500 -0.007 0.000 1.194 148 K HN -0.682 7.527 8.250 -0.003 0.039 0.434 149 D N 5.831 126.236 120.400 0.008 0.000 2.339 149 D HA 0.060 nan 4.640 nan 0.000 0.241 149 D C 0.547 176.856 176.300 0.015 0.000 1.183 149 D CA -0.690 53.317 54.000 0.012 0.000 0.859 149 D CB 1.014 41.822 40.800 0.014 0.000 1.067 149 D HN 0.225 8.601 8.370 0.010 0.000 0.484 150 V N 5.606 125.529 119.914 0.015 0.000 2.548 150 V HA -0.329 nan 4.120 nan 0.000 0.249 150 V C 1.973 178.087 176.094 0.032 0.000 1.055 150 V CA 2.886 65.196 62.300 0.018 0.000 1.065 150 V CB -0.205 31.625 31.823 0.013 0.000 0.681 150 V HN 0.677 8.875 8.190 0.013 0.000 0.462 151 R N -0.792 119.729 120.500 0.035 0.000 2.081 151 R HA -0.320 nan 4.340 nan 0.000 0.235 151 R C 2.346 178.674 176.300 0.047 0.000 1.131 151 R CA 3.458 59.585 56.100 0.044 0.000 0.960 151 R CB -0.408 29.913 30.300 0.035 0.000 0.856 151 R HN -0.369 8.005 8.270 0.029 -0.087 0.436 152 V N -0.764 119.172 119.914 0.037 0.000 2.453 152 V HA -0.252 nan 4.120 nan 0.000 0.247 152 V C 1.660 177.781 176.094 0.045 0.000 1.048 152 V CA 3.639 65.961 62.300 0.037 0.000 1.049 152 V CB -0.783 31.056 31.823 0.027 0.000 0.672 152 V HN -0.620 7.822 8.190 0.030 -0.233 0.457 153 A N -0.514 122.331 122.820 0.041 0.000 1.969 153 A HA -0.267 nan 4.320 nan 0.000 0.218 153 A C 1.956 179.581 177.584 0.069 0.000 1.169 153 A CA 3.282 55.346 52.037 0.045 0.000 0.635 153 A CB -0.737 18.278 19.000 0.025 0.000 0.810 153 A HN 0.059 8.229 8.150 0.033 0.000 0.445 154 L N -2.689 118.584 121.223 0.084 0.000 2.201 154 L HA -0.427 nan 4.340 nan 0.000 0.212 154 L C 1.916 178.901 176.870 0.193 0.000 1.105 154 L CA 2.797 57.730 54.840 0.155 0.000 0.775 154 L CB -0.668 41.495 42.059 0.172 0.000 0.913 154 L HN 0.155 8.344 8.230 0.068 0.082 0.440 155 D N 0.201 120.670 120.400 0.116 0.000 2.117 155 D HA -0.242 nan 4.640 nan 0.000 0.197 155 D C 2.733 179.085 176.300 0.087 0.000 0.987 155 D CA 3.589 57.642 54.000 0.088 0.000 0.829 155 D CB -0.636 40.195 40.800 0.051 0.000 0.961 155 D HN -0.338 7.983 8.370 0.090 0.103 0.460 156 R N -1.563 118.985 120.500 0.080 0.000 2.148 156 R HA -0.120 nan 4.340 nan 0.000 0.223 156 R C 2.483 178.832 176.300 0.082 0.000 1.088 156 R CA 1.620 57.757 56.100 0.062 0.000 0.985 156 R CB -0.404 29.931 30.300 0.058 0.000 0.880 156 R HN -0.193 8.045 8.270 0.076 0.079 0.451 157 M N 0.861 120.559 119.600 0.162 0.000 2.200 157 M HA -0.213 nan 4.480 nan 0.000 0.265 157 M C 1.055 177.623 176.300 0.447 0.000 1.066 157 M CA 2.696 58.154 55.300 0.263 0.000 1.127 157 M CB -0.153 32.571 32.600 0.207 0.000 1.379 157 M HN 0.103 8.374 8.290 0.160 0.115 0.420 158 K N -0.469 120.181 120.400 0.417 0.000 2.057 158 K HA -0.379 nan 4.320 nan 0.000 0.206 158 K C 1.662 178.312 176.600 0.082 0.000 1.050 158 K CA 3.803 60.237 56.287 0.245 0.000 0.935 158 K CB -0.258 32.277 32.500 0.059 0.000 0.715 158 K HN 0.039 8.498 8.250 0.348 0.000 0.439 159 E N -0.710 119.511 120.200 0.034 0.000 2.085 159 E HA -0.342 nan 4.350 nan 0.000 0.194 159 E C 2.028 178.557 176.600 -0.118 0.000 0.994 159 E CA 3.092 59.471 56.400 -0.033 0.000 0.801 159 E CB -0.118 29.565 29.700 -0.028 0.000 0.743 159 E HN -0.160 8.237 8.360 0.062 0.000 0.453 160 A N -0.966 121.714 122.820 -0.233 0.000 1.858 160 A HA -0.242 nan 4.320 nan 0.000 0.216 160 A C 2.294 179.515 177.584 -0.605 0.000 1.190 160 A CA 3.020 54.709 52.037 -0.580 0.000 0.617 160 A CB -0.749 17.570 19.000 -1.135 0.000 0.827 160 A HN -0.424 7.632 8.150 -0.156 0.000 0.443 161 F N -2.882 116.873 119.950 -0.326 0.000 2.234 161 F HA -0.344 nan 4.527 nan 0.000 0.299 161 F C 2.166 177.878 175.800 -0.147 0.000 1.087 161 F CA 3.975 61.836 58.000 -0.233 0.000 1.340 161 F CB -0.381 38.521 39.000 -0.165 0.000 1.031 161 F HN -0.328 7.871 8.300 -0.168 0.000 0.500 162 D N 0.258 120.673 120.400 0.025 0.000 2.178 162 D HA -0.200 nan 4.640 nan 0.000 0.202 162 D C 2.572 178.888 176.300 0.027 0.000 0.974 162 D CA 3.565 57.585 54.000 0.033 0.000 0.841 162 D CB -0.435 40.359 40.800 -0.010 0.000 0.953 162 D HN 0.253 8.625 8.370 0.004 0.000 0.478 163 L N -0.616 120.577 121.223 -0.049 0.000 2.109 163 L HA -0.280 nan 4.340 nan 0.000 0.207 163 L C 2.038 178.904 176.870 -0.006 0.000 1.086 163 L CA 2.952 57.767 54.840 -0.043 0.000 0.760 163 L CB -0.030 41.964 42.059 -0.109 0.000 0.910 163 L HN -0.295 7.783 8.230 -0.105 0.089 0.437 164 L N -1.963 119.210 121.223 -0.083 0.000 2.093 164 L HA -0.344 nan 4.340 nan 0.000 0.208 164 L C 2.284 179.255 176.870 0.168 0.000 1.085 164 L CA 3.096 57.915 54.840 -0.035 0.000 0.755 164 L CB -0.732 41.097 42.059 -0.382 0.000 0.904 164 L HN -0.026 8.097 8.230 -0.178 0.000 0.435 165 G N -2.045 106.859 108.800 0.173 0.000 2.422 165 G HA2 -0.402 nan 3.960 nan 0.000 0.218 165 G HA3 -0.402 nan 3.960 nan 0.000 0.218 165 G C 0.785 175.803 174.900 0.197 0.000 1.146 165 G CA 1.892 47.162 45.100 0.283 0.000 0.769 165 G HN -0.228 8.139 8.290 0.128 0.000 0.547 166 E N 2.380 122.668 120.200 0.147 0.000 2.106 166 E HA -0.307 nan 4.350 nan 0.000 0.192 166 E C 1.494 178.148 176.600 0.089 0.000 0.984 166 E CA 2.522 58.980 56.400 0.097 0.000 0.806 166 E CB -0.011 29.735 29.700 0.076 0.000 0.750 166 E HN -0.471 7.886 8.360 0.134 0.084 0.458 167 Y N -0.226 120.092 120.300 0.029 0.000 2.163 167 Y HA -0.385 nan 4.550 nan 0.000 0.288 167 Y C 1.891 177.786 175.900 -0.009 0.000 1.136 167 Y CA 3.676 61.781 58.100 0.007 0.000 1.147 167 Y CB 0.414 38.889 38.460 0.026 0.000 0.987 167 Y HN -0.385 8.051 8.280 0.259 0.000 0.509 168 V N -5.928 114.008 119.914 0.037 0.000 2.809 168 V HA -0.312 nan 4.120 nan 0.000 0.256 168 V C 1.568 177.570 176.094 -0.154 0.000 1.080 168 V CA 3.256 65.523 62.300 -0.055 0.000 1.102 168 V CB -1.510 30.447 31.823 0.223 0.000 0.705 168 V HN -0.159 8.193 8.190 0.268 0.000 0.475 169 T N 2.755 117.260 114.554 -0.080 0.000 2.851 169 T HA -0.126 nan 4.350 nan 0.000 0.262 169 T C 2.533 177.141 174.700 -0.152 0.000 1.043 169 T CA 4.803 66.857 62.100 -0.076 0.000 1.140 169 T CB -0.493 68.375 68.868 0.001 0.000 0.872 169 T HN -0.183 8.017 8.240 -0.010 0.033 0.446 170 S N 1.193 116.774 115.700 -0.198 0.000 2.453 170 S HA -0.192 nan 4.470 nan 0.000 0.231 170 S C 1.709 176.113 174.600 -0.328 0.000 1.005 170 S CA 2.885 60.959 58.200 -0.209 0.000 0.949 170 S CB -0.014 63.090 63.200 -0.160 0.000 0.774 170 S HN -0.226 7.974 8.310 -0.185 0.000 0.510 171 Q N -0.996 118.463 119.800 -0.570 0.000 2.425 171 Q HA 0.074 nan 4.340 nan 0.000 0.204 171 Q C 0.373 176.029 176.000 -0.573 0.000 0.933 171 Q CA -0.747 54.601 55.803 -0.759 0.000 0.939 171 Q CB 0.013 27.810 28.738 -1.569 0.000 1.044 171 Q HN -0.661 7.205 8.270 -0.641 0.019 0.513 172 G N -0.824 107.765 108.800 -0.353 0.000 2.221 172 G HA2 -0.369 nan 3.960 nan 0.000 0.265 172 G HA3 -0.369 nan 3.960 nan 0.000 0.265 172 G C -0.100 174.772 174.900 -0.046 0.000 1.041 172 G CA 0.675 45.680 45.100 -0.159 0.000 0.807 172 G HN -0.597 7.307 8.290 -0.331 0.187 0.502 173 Y N -1.937 118.307 120.300 -0.092 0.000 2.301 173 Y HA -0.040 nan 4.550 nan 0.000 0.325 173 Y C 0.259 176.112 175.900 -0.078 0.000 1.203 173 Y CA -1.452 56.600 58.100 -0.080 0.000 1.255 173 Y CB 0.837 39.244 38.460 -0.087 0.000 1.232 173 Y HN -0.315 7.840 8.280 -0.208 0.000 0.501 174 D N 0.696 121.154 120.400 0.097 0.000 2.370 174 D HA -0.032 nan 4.640 nan 0.000 0.230 174 D C -0.990 175.278 176.300 -0.054 0.000 1.143 174 D CA -0.039 53.962 54.000 0.002 0.000 0.834 174 D CB 0.112 40.904 40.800 -0.014 0.000 0.944 174 D HN 0.110 8.540 8.370 0.100 0.000 0.504 175 T N -0.628 113.883 114.554 -0.071 0.000 2.909 175 T HA 0.134 nan 4.350 nan 0.000 0.289 175 T C -0.616 173.920 174.700 -0.274 0.000 1.005 175 T CA -0.333 61.664 62.100 -0.171 0.000 1.084 175 T CB 0.655 69.409 68.868 -0.190 0.000 0.975 175 T HN -0.499 7.655 8.240 0.002 0.088 0.509 176 R N 4.407 124.735 120.500 -0.286 0.000 2.832 176 R HA 0.652 nan 4.340 nan 0.000 0.271 176 R C -1.293 174.842 176.300 -0.275 0.000 0.996 176 R CA -1.776 54.175 56.100 -0.249 0.000 0.977 176 R CB 3.929 34.136 30.300 -0.154 0.000 1.168 176 R HN 0.256 8.393 8.270 -0.221 0.000 0.482 177 F N -0.082 119.957 119.950 0.148 0.000 2.425 177 F HA 0.648 nan 4.527 nan 0.000 0.331 177 F C -1.437 174.554 175.800 0.319 0.000 1.085 177 F CA -1.490 56.663 58.000 0.255 0.000 1.028 177 F CB 2.453 41.615 39.000 0.269 0.000 1.177 177 F HN 0.645 9.014 8.300 0.114 0.000 0.487 178 A N 1.420 124.518 122.820 0.463 0.000 2.381 178 A HA 0.760 nan 4.320 nan 0.000 0.299 178 A C -2.162 175.588 177.584 0.277 0.000 1.049 178 A CA -1.308 50.909 52.037 0.300 0.000 0.715 178 A CB 2.723 21.879 19.000 0.260 0.000 1.222 178 A HN 0.943 9.381 8.150 0.480 0.000 0.428 179 I N 3.060 123.749 120.570 0.198 0.000 2.365 179 I HA 0.192 nan 4.170 nan 0.000 0.291 179 I C -0.972 175.259 176.117 0.190 0.000 1.004 179 I CA -0.431 60.988 61.300 0.197 0.000 1.311 179 I CB 1.520 39.571 38.000 0.085 0.000 1.401 179 I HN 0.590 8.876 8.210 0.127 0.000 0.491 180 K N 9.116 129.662 120.400 0.245 0.000 2.268 180 K HA 0.248 nan 4.320 nan 0.000 0.276 180 K C -2.356 174.430 176.600 0.309 0.000 1.080 180 K CA -2.835 53.609 56.287 0.261 0.000 0.910 180 K CB 0.934 33.592 32.500 0.263 0.000 1.163 180 K HN -0.222 8.199 8.250 0.286 0.000 0.465 181 P HA 0.084 nan 4.420 nan 0.000 0.274 181 P C -2.297 175.155 177.300 0.253 0.000 1.237 181 P CA -0.722 62.509 63.100 0.218 0.000 0.793 181 P CB 1.099 32.900 31.700 0.168 0.000 0.977 182 K N 0.072 120.548 120.400 0.127 0.000 2.561 182 K HA 0.232 nan 4.320 nan 0.000 0.254 182 K C -2.540 174.030 176.600 -0.050 0.000 0.942 182 K CA -2.477 53.773 56.287 -0.062 0.000 0.818 182 K CB 2.849 35.264 32.500 -0.141 0.000 1.306 182 K HN -0.403 7.904 8.250 0.095 0.000 0.435 183 P HA 0.001 nan 4.420 nan 0.000 0.218 183 P C -1.651 175.613 177.300 -0.061 0.000 1.152 183 P CA 1.251 64.317 63.100 -0.057 0.000 0.826 183 P CB 0.714 32.395 31.700 -0.031 0.000 0.790 184 N N -3.240 115.426 118.700 -0.057 0.000 3.179 184 N HA -0.014 nan 4.740 nan 0.000 0.250 184 N C -1.615 173.879 175.510 -0.027 0.000 1.507 184 N CA -0.803 52.223 53.050 -0.040 0.000 0.883 184 N CB 2.594 41.068 38.487 -0.022 0.000 1.435 184 N HN -0.621 7.714 8.380 -0.074 0.000 0.532 185 E N -1.621 118.575 120.200 -0.006 0.000 7.387 185 E HA -0.216 nan 4.350 nan 0.000 0.318 185 E C -1.577 175.050 176.600 0.046 0.000 0.824 185 E CA 0.075 56.487 56.400 0.021 0.000 1.347 185 E CB 1.037 30.764 29.700 0.045 0.000 0.927 185 E HN 0.249 8.601 8.360 -0.013 0.000 0.269 186 P HA 0.058 nan 4.420 nan 0.000 0.245 186 P C -0.701 176.585 177.300 -0.024 0.000 1.206 186 P CA 0.508 63.609 63.100 0.002 0.000 0.781 186 P CB 0.274 31.978 31.700 0.006 0.000 0.994 187 R N -1.300 119.171 120.500 -0.049 0.000 2.528 187 R HA 0.203 nan 4.340 nan 0.000 0.271 187 R C 1.453 177.732 176.300 -0.035 0.000 1.056 187 R CA -2.160 53.910 56.100 -0.050 0.000 1.117 187 R CB 0.078 30.332 30.300 -0.075 0.000 1.085 187 R HN -0.801 7.429 8.270 -0.067 0.000 0.530 188 G N 1.980 110.764 108.800 -0.028 0.000 2.440 188 G HA2 -0.259 nan 3.960 nan 0.000 0.218 188 G HA3 -0.259 nan 3.960 nan 0.000 0.218 188 G C -0.394 174.491 174.900 -0.026 0.000 1.154 188 G CA 1.114 46.203 45.100 -0.019 0.000 0.767 188 G HN 0.107 8.638 8.290 -0.029 -0.258 0.552 189 D N -0.092 120.285 120.400 -0.038 0.000 2.863 189 D HA 0.433 nan 4.640 nan 0.000 0.245 189 D C -1.774 174.485 176.300 -0.069 0.000 1.211 189 D CA -0.052 53.918 54.000 -0.050 0.000 0.888 189 D CB 3.309 44.081 40.800 -0.047 0.000 1.483 189 D HN -0.489 7.857 8.370 -0.040 0.000 0.533 190 I N 2.102 122.622 120.570 -0.084 0.000 2.488 190 I HA 0.421 nan 4.170 nan 0.000 0.299 190 I C -0.196 175.852 176.117 -0.114 0.000 0.984 190 I CA -0.646 60.590 61.300 -0.106 0.000 1.250 190 I CB 2.131 40.066 38.000 -0.108 0.000 1.389 190 I HN 0.261 8.316 8.210 -0.079 0.108 0.488 191 L N 5.198 126.349 121.223 -0.119 0.000 2.439 191 L HA 0.055 nan 4.340 nan 0.000 0.269 191 L C -0.308 176.480 176.870 -0.137 0.000 1.179 191 L CA 0.401 55.168 54.840 -0.122 0.000 0.828 191 L CB 0.361 42.353 42.059 -0.113 0.000 1.106 191 L HN 0.002 8.158 8.230 -0.124 0.000 0.467 192 L N -4.038 117.101 121.223 -0.140 0.000 3.713 192 L HA -0.235 nan 4.340 nan 0.000 0.499 192 L C -0.779 176.040 176.870 -0.084 0.000 1.281 192 L CA -0.484 54.301 54.840 -0.092 0.000 0.796 192 L CB -1.582 40.396 42.059 -0.136 0.000 1.535 192 L HN 0.279 8.433 8.230 -0.127 0.000 0.851 193 P HA -0.019 nan 4.420 nan 0.000 0.229 193 P C -0.604 176.677 177.300 -0.031 0.000 1.160 193 P CA 0.975 63.980 63.100 -0.158 0.000 0.777 193 P CB 0.214 31.760 31.700 -0.257 0.000 0.814 194 T N -7.022 107.580 114.554 0.080 0.000 2.865 194 T HA 0.239 nan 4.350 nan 0.000 0.294 194 T C 0.469 175.294 174.700 0.210 0.000 1.119 194 T CA -1.925 60.290 62.100 0.192 0.000 1.007 194 T CB 3.234 72.262 68.868 0.267 0.000 1.225 194 T HN -0.925 7.334 8.240 0.088 0.033 0.515 195 V N 1.647 121.665 119.914 0.173 0.000 2.317 195 V HA -0.384 nan 4.120 nan 0.000 0.251 195 V C 1.328 177.485 176.094 0.106 0.000 1.065 195 V CA 4.750 67.127 62.300 0.127 0.000 1.049 195 V CB -0.564 31.313 31.823 0.090 0.000 0.651 195 V HN 0.311 9.049 8.190 0.179 -0.440 0.450 196 G N -2.360 106.500 108.800 0.100 0.000 2.418 196 G HA2 -0.296 nan 3.960 nan 0.000 0.217 196 G HA3 -0.296 nan 3.960 nan 0.000 0.217 196 G C 1.055 175.953 174.900 -0.004 0.000 1.158 196 G CA 2.341 47.451 45.100 0.017 0.000 0.771 196 G HN -0.309 8.048 8.290 0.131 0.011 0.545 197 H N 2.566 121.666 119.070 0.050 0.000 2.357 197 H HA -0.232 nan 4.556 nan 0.000 0.301 197 H C 2.267 177.635 175.328 0.066 0.000 1.082 197 H CA 3.930 60.008 56.048 0.050 0.000 1.342 197 H CB -0.234 29.546 29.762 0.030 0.000 1.389 197 H HN -0.642 7.737 8.280 0.301 0.082 0.511 198 A N -0.537 122.386 122.820 0.172 0.000 1.902 198 A HA -0.263 nan 4.320 nan 0.000 0.217 198 A C 1.885 179.541 177.584 0.119 0.000 1.181 198 A CA 3.087 55.197 52.037 0.122 0.000 0.623 198 A CB -0.767 18.288 19.000 0.091 0.000 0.818 198 A HN -0.031 8.232 8.150 0.187 0.000 0.443 199 L N -2.258 119.011 121.223 0.076 0.000 2.042 199 L HA -0.449 nan 4.340 nan 0.000 0.210 199 L C 2.353 179.244 176.870 0.035 0.000 1.076 199 L CA 2.843 57.706 54.840 0.039 0.000 0.749 199 L CB -0.339 41.741 42.059 0.035 0.000 0.893 199 L HN -0.050 8.226 8.230 0.077 0.000 0.432 200 A N -1.128 121.723 122.820 0.051 0.000 1.898 200 A HA -0.261 nan 4.320 nan 0.000 0.216 200 A C 1.836 179.452 177.584 0.053 0.000 1.181 200 A CA 2.796 54.855 52.037 0.037 0.000 0.620 200 A CB -0.707 18.308 19.000 0.026 0.000 0.819 200 A HN -0.258 7.926 8.150 0.057 0.000 0.442 201 F N -0.449 119.473 119.950 -0.047 0.000 2.171 201 F HA -0.358 nan 4.527 nan 0.000 0.300 201 F C 1.918 177.636 175.800 -0.137 0.000 1.090 201 F CA 2.997 60.953 58.000 -0.074 0.000 1.293 201 F CB 0.373 39.333 39.000 -0.067 0.000 1.013 201 F HN -0.580 7.870 8.300 0.250 0.000 0.486 202 I N -1.730 118.743 120.570 -0.162 0.000 2.264 202 I HA -0.539 nan 4.170 nan 0.000 0.248 202 I C 1.876 177.825 176.117 -0.280 0.000 1.111 202 I CA 3.794 64.922 61.300 -0.287 0.000 1.382 202 I CB -0.443 37.493 38.000 -0.106 0.000 1.060 202 I HN -0.272 7.968 8.210 0.049 0.000 0.418 203 E N -1.126 118.966 120.200 -0.180 0.000 2.338 203 E HA -0.195 nan 4.350 nan 0.000 0.197 203 E C 1.119 177.613 176.600 -0.176 0.000 1.007 203 E CA 2.043 58.361 56.400 -0.137 0.000 0.849 203 E CB -0.668 28.986 29.700 -0.077 0.000 0.774 203 E HN -0.528 7.644 8.360 -0.129 0.111 0.506 204 R N -2.873 117.464 120.500 -0.272 0.000 2.334 204 R HA 0.113 nan 4.340 nan 0.000 0.220 204 R C -0.698 175.405 176.300 -0.327 0.000 0.917 204 R CA -1.316 54.626 56.100 -0.263 0.000 1.073 204 R CB 0.056 30.204 30.300 -0.252 0.000 1.056 204 R HN -0.562 7.357 8.270 -0.349 0.142 0.506 205 L N -1.047 119.934 121.223 -0.403 0.000 2.421 205 L HA 0.022 nan 4.340 nan 0.000 0.263 205 L C 0.362 177.117 176.870 -0.191 0.000 1.122 205 L CA -0.645 53.962 54.840 -0.389 0.000 0.804 205 L CB 0.490 42.174 42.059 -0.625 0.000 1.150 205 L HN -0.541 7.275 8.230 -0.411 0.167 0.457 206 E N 3.969 124.099 120.200 -0.116 0.000 2.085 206 E HA -0.314 nan 4.350 nan 0.000 0.194 206 E C 0.231 176.846 176.600 0.026 0.000 0.994 206 E CA 2.228 58.610 56.400 -0.030 0.000 0.801 206 E CB 0.492 30.193 29.700 0.001 0.000 0.743 206 E HN 0.251 9.017 8.360 -0.136 -0.488 0.453 207 R N -2.145 118.416 120.500 0.102 0.000 2.651 207 R HA 0.473 nan 4.340 nan 0.000 0.282 207 R C -1.910 174.566 176.300 0.293 0.000 1.565 207 R CA -3.115 53.098 56.100 0.189 0.000 1.661 207 R CB -0.107 30.335 30.300 0.237 0.000 1.189 207 R HN -0.221 8.110 8.270 0.101 0.000 0.621 208 P HA -0.281 nan 4.420 nan 0.000 0.217 208 P C 0.490 177.959 177.300 0.282 0.000 1.148 208 P CA 2.388 65.586 63.100 0.164 0.000 0.828 208 P CB -0.061 31.662 31.700 0.038 0.000 0.783 209 E N -3.796 116.537 120.200 0.222 0.000 2.338 209 E HA -0.190 nan 4.350 nan 0.000 0.197 209 E C 1.341 178.086 176.600 0.242 0.000 1.007 209 E CA 2.160 58.684 56.400 0.207 0.000 0.849 209 E CB -1.573 28.204 29.700 0.127 0.000 0.774 209 E HN 0.269 8.696 8.360 0.177 0.039 0.506 210 L N -0.427 120.915 121.223 0.199 0.000 2.599 210 L HA -0.079 nan 4.340 nan 0.000 0.230 210 L C -1.671 175.153 176.870 -0.077 0.000 1.141 210 L CA 0.258 55.086 54.840 -0.020 0.000 0.877 210 L CB -0.232 41.684 42.059 -0.238 0.000 1.009 210 L HN -0.443 7.922 8.230 0.287 0.038 0.447 211 Y N -3.607 116.907 120.300 0.357 0.000 2.492 211 Y HA 0.492 nan 4.550 nan 0.000 0.346 211 Y C -1.438 174.295 175.900 -0.279 0.000 0.997 211 Y CA -1.485 56.733 58.100 0.197 0.000 1.025 211 Y CB 3.696 42.190 38.460 0.057 0.000 1.263 211 Y HN -0.519 7.923 8.280 0.413 0.086 0.454 212 G N -1.098 107.374 108.800 -0.547 0.000 2.782 212 G HA2 0.702 nan 3.960 nan 0.000 0.304 212 G HA3 0.702 nan 3.960 nan 0.000 0.304 212 G C -2.739 171.924 174.900 -0.395 0.000 1.315 212 G CA -0.847 43.604 45.100 -1.082 0.000 0.791 212 G HN 0.338 8.546 8.290 -0.137 0.000 0.519 213 V N -6.811 112.946 119.914 -0.262 0.000 2.881 213 V HA 0.677 nan 4.120 nan 0.000 0.316 213 V C -2.058 174.088 176.094 0.087 0.000 1.070 213 V CA -3.828 58.460 62.300 -0.020 0.000 0.976 213 V CB 2.369 34.199 31.823 0.011 0.000 1.038 213 V HN 0.227 8.209 8.190 -0.347 0.000 0.446 214 N N 2.169 120.957 118.700 0.147 0.000 2.841 214 N HA 0.457 nan 4.740 nan 0.000 0.257 214 N C -2.671 172.954 175.510 0.191 0.000 1.396 214 N CA -3.209 49.963 53.050 0.202 0.000 0.823 214 N CB 1.147 39.751 38.487 0.194 0.000 1.162 214 N HN 0.363 8.717 8.380 0.141 0.111 0.503 215 P HA -0.021 nan 4.420 nan 0.000 0.272 215 P C -2.114 175.346 177.300 0.268 0.000 1.223 215 P CA -0.546 62.713 63.100 0.265 0.000 0.784 215 P CB 0.804 32.670 31.700 0.276 0.000 0.923 216 E N 0.295 120.584 120.200 0.148 0.000 2.234 216 E HA 0.407 nan 4.350 nan 0.000 0.266 216 E C 0.740 177.026 176.600 -0.523 0.000 0.877 216 E CA -1.799 54.484 56.400 -0.196 0.000 0.758 216 E CB 2.443 31.829 29.700 -0.524 0.000 1.170 216 E HN -0.071 8.418 8.360 0.215 0.000 0.415 217 V N 6.152 125.511 119.914 -0.925 0.000 2.231 217 V HA -0.454 nan 4.120 nan 0.000 0.250 217 V C 1.419 177.125 176.094 -0.647 0.000 1.058 217 V CA 4.987 66.459 62.300 -1.381 0.000 1.022 217 V CB -0.405 31.024 31.823 -0.658 0.000 0.640 217 V HN 0.473 8.300 8.190 -0.604 0.000 0.445 218 G N -4.165 104.413 108.800 -0.369 0.000 2.422 218 G HA2 -0.301 nan 3.960 nan 0.000 0.218 218 G HA3 -0.301 nan 3.960 nan 0.000 0.218 218 G C 0.893 175.783 174.900 -0.016 0.000 1.140 218 G CA 1.999 46.994 45.100 -0.175 0.000 0.775 218 G HN -0.114 8.194 8.290 -0.379 -0.245 0.545 219 H N 1.703 120.704 119.070 -0.114 0.000 2.357 219 H HA -0.248 nan 4.556 nan 0.000 0.301 219 H C 2.616 177.953 175.328 0.016 0.000 1.082 219 H CA 2.267 58.291 56.048 -0.039 0.000 1.342 219 H CB 0.170 29.926 29.762 -0.011 0.000 1.389 219 H HN -0.719 7.436 8.280 -0.209 0.000 0.511 220 E N -2.286 118.022 120.200 0.180 0.000 2.208 220 E HA -0.214 nan 4.350 nan 0.000 0.193 220 E C 2.278 178.953 176.600 0.125 0.000 0.988 220 E CA 2.110 58.630 56.400 0.200 0.000 0.828 220 E CB -0.645 29.271 29.700 0.360 0.000 0.763 220 E HN -0.640 7.796 8.360 0.126 0.000 0.478 221 Q N -1.041 118.799 119.800 0.066 0.000 2.378 221 Q HA -0.139 nan 4.340 nan 0.000 0.205 221 Q C 2.960 178.971 176.000 0.018 0.000 0.954 221 Q CA 2.188 58.009 55.803 0.030 0.000 0.901 221 Q CB -0.142 28.586 28.738 -0.016 0.000 0.981 221 Q HN -0.631 7.639 8.270 0.027 0.016 0.483 222 M N -0.369 119.246 119.600 0.025 0.000 2.476 222 M HA -0.158 nan 4.480 nan 0.000 0.262 222 M C 0.345 176.658 176.300 0.021 0.000 1.079 222 M CA 2.406 57.714 55.300 0.013 0.000 1.104 222 M CB 0.158 32.763 32.600 0.009 0.000 1.409 222 M HN -0.402 7.774 8.290 0.045 0.141 0.467 223 A N -3.101 119.742 122.820 0.038 0.000 2.423 223 A HA 0.262 nan 4.320 nan 0.000 0.246 223 A C 0.091 177.698 177.584 0.038 0.000 1.278 223 A CA -0.529 51.531 52.037 0.038 0.000 0.903 223 A CB -0.184 18.848 19.000 0.054 0.000 0.997 223 A HN -0.497 7.542 8.150 0.054 0.143 0.510 224 G N -1.025 107.794 108.800 0.032 0.000 2.168 224 G HA2 -0.391 nan 3.960 nan 0.000 0.257 224 G HA3 -0.391 nan 3.960 nan 0.000 0.257 224 G C -0.441 174.476 174.900 0.029 0.000 0.997 224 G CA 0.655 45.770 45.100 0.024 0.000 0.708 224 G HN -0.428 7.676 8.290 0.029 0.204 0.520 225 L N -1.899 119.354 121.223 0.051 0.000 2.416 225 L HA 0.077 nan 4.340 nan 0.000 0.262 225 L C -0.558 176.341 176.870 0.048 0.000 1.093 225 L CA -0.949 53.923 54.840 0.053 0.000 0.801 225 L CB 0.870 42.980 42.059 0.086 0.000 1.191 225 L HN -0.485 7.752 8.230 0.064 0.031 0.459 226 N N -0.124 118.572 118.700 -0.006 0.000 2.402 226 N HA -0.062 nan 4.740 nan 0.000 0.252 226 N C 0.365 175.904 175.510 0.048 0.000 1.118 226 N CA -0.394 52.613 53.050 -0.072 0.000 0.945 226 N CB 0.243 38.482 38.487 -0.414 0.000 1.147 226 N HN -0.068 8.302 8.380 -0.016 0.000 0.495 227 F N 8.938 128.880 119.950 -0.012 0.000 2.102 227 F HA -0.041 nan 4.527 nan 0.000 0.298 227 F C -1.640 174.191 175.800 0.051 0.000 1.105 227 F CA 5.027 63.045 58.000 0.031 0.000 1.239 227 F CB -1.792 37.235 39.000 0.045 0.000 0.991 227 F HN 0.206 8.659 8.300 0.254 0.000 0.474 228 P HA -0.369 nan 4.420 nan 0.000 0.216 228 P C 1.711 179.018 177.300 0.012 0.000 1.154 228 P CA 3.530 66.622 63.100 -0.014 0.000 0.865 228 P CB -0.527 31.250 31.700 0.129 0.000 0.789 229 H N -2.571 116.434 119.070 -0.109 0.000 2.389 229 H HA -0.305 nan 4.556 nan 0.000 0.299 229 H C 2.480 177.728 175.328 -0.133 0.000 1.081 229 H CA 2.375 58.354 56.048 -0.116 0.000 1.345 229 H CB 0.108 29.815 29.762 -0.091 0.000 1.393 229 H HN 0.059 8.703 8.280 0.051 -0.334 0.520 230 G N -0.416 108.368 108.800 -0.027 0.000 2.408 230 G HA2 -0.292 nan 3.960 nan 0.000 0.217 230 G HA3 -0.292 nan 3.960 nan 0.000 0.217 230 G C 1.182 175.980 174.900 -0.169 0.000 1.150 230 G CA 1.839 46.889 45.100 -0.083 0.000 0.776 230 G HN -0.192 7.995 8.290 -0.033 0.084 0.542 231 I N 2.249 122.614 120.570 -0.342 0.000 2.226 231 I HA -0.362 nan 4.170 nan 0.000 0.245 231 I C 1.757 177.789 176.117 -0.141 0.000 1.100 231 I CA 1.481 62.588 61.300 -0.322 0.000 1.374 231 I CB -1.311 36.414 38.000 -0.459 0.000 1.057 231 I HN 0.062 7.999 8.210 -0.455 0.000 0.413 232 A N -0.710 122.050 122.820 -0.100 0.000 1.933 232 A HA -0.374 nan 4.320 nan 0.000 0.218 232 A C 2.019 179.608 177.584 0.008 0.000 1.175 232 A CA 3.411 55.422 52.037 -0.044 0.000 0.628 232 A CB -0.972 17.980 19.000 -0.081 0.000 0.814 232 A HN -0.046 7.957 8.150 -0.115 0.078 0.444 233 Q N -0.731 119.062 119.800 -0.013 0.000 2.119 233 Q HA -0.298 nan 4.340 nan 0.000 0.201 233 Q C 2.083 178.170 176.000 0.145 0.000 0.972 233 Q CA 2.878 58.723 55.803 0.070 0.000 0.847 233 Q CB -0.080 28.666 28.738 0.013 0.000 0.903 233 Q HN -0.290 7.950 8.270 -0.051 0.000 0.433 234 A N 0.299 123.152 122.820 0.055 0.000 1.898 234 A HA -0.249 nan 4.320 nan 0.000 0.216 234 A C 2.033 179.660 177.584 0.072 0.000 1.181 234 A CA 3.075 55.139 52.037 0.045 0.000 0.620 234 A CB -0.780 18.214 19.000 -0.011 0.000 0.819 234 A HN -0.270 7.807 8.150 -0.001 0.073 0.442 235 L N -2.665 118.601 121.223 0.072 0.000 2.056 235 L HA -0.331 nan 4.340 nan 0.000 0.207 235 L C 2.534 179.490 176.870 0.143 0.000 1.078 235 L CA 2.647 57.544 54.840 0.096 0.000 0.749 235 L CB -0.237 41.867 42.059 0.075 0.000 0.901 235 L HN 0.090 8.343 8.230 0.037 0.000 0.433 236 W N 1.462 122.754 121.300 -0.013 0.000 2.342 236 W HA -0.403 nan 4.660 nan 0.000 0.297 236 W C 0.999 177.518 176.519 -0.000 0.000 1.213 236 W CA 3.271 60.609 57.345 -0.011 0.000 1.251 236 W CB -0.019 29.424 29.460 -0.028 0.000 1.136 236 W HN 0.227 8.580 8.180 0.289 0.000 0.526 237 A N -3.944 118.910 122.820 0.058 0.000 2.238 237 A HA 0.082 nan 4.320 nan 0.000 0.208 237 A C 0.071 177.612 177.584 -0.073 0.000 1.177 237 A CA 0.098 52.074 52.037 -0.103 0.000 0.804 237 A CB -0.060 18.956 19.000 0.026 0.000 0.823 237 A HN -0.473 7.698 8.150 0.205 0.102 0.482 238 G N -1.926 106.870 108.800 -0.006 0.000 2.176 238 G HA2 -0.347 nan 3.960 nan 0.000 0.252 238 G HA3 -0.347 nan 3.960 nan 0.000 0.252 238 G C 0.193 175.181 174.900 0.147 0.000 1.024 238 G CA 0.616 45.753 45.100 0.061 0.000 0.755 238 G HN -0.496 7.613 8.290 0.015 0.190 0.507 239 K N -2.660 117.793 120.400 0.089 0.000 2.506 239 K HA 0.223 nan 4.320 nan 0.000 0.204 239 K C -1.653 174.943 176.600 -0.008 0.000 1.045 239 K CA -1.542 54.722 56.287 -0.038 0.000 1.074 239 K CB 1.112 33.525 32.500 -0.145 0.000 0.842 239 K HN 0.016 8.306 8.250 0.068 0.000 0.514 240 L N 1.348 122.683 121.223 0.185 0.000 2.356 240 L HA 0.098 nan 4.340 nan 0.000 0.282 240 L C -1.070 176.077 176.870 0.463 0.000 1.132 240 L CA -0.165 54.789 54.840 0.191 0.000 0.923 240 L CB -0.343 41.755 42.059 0.064 0.000 1.278 240 L HN -0.370 7.982 8.230 0.203 0.000 0.436 241 F N 3.274 123.321 119.950 0.162 0.000 2.615 241 F HA 0.097 nan 4.527 nan 0.000 0.297 241 F C -0.212 175.758 175.800 0.283 0.000 1.124 241 F CA 0.280 58.394 58.000 0.189 0.000 1.451 241 F CB 0.682 39.770 39.000 0.147 0.000 1.103 241 F HN -0.432 8.085 8.300 0.361 0.000 0.569 242 H N -3.026 116.240 119.070 0.327 0.000 2.969 242 H HA 0.247 nan 4.556 nan 0.000 0.304 242 H C -2.195 173.207 175.328 0.124 0.000 1.400 242 H CA -0.135 56.054 56.048 0.235 0.000 1.182 242 H CB 3.829 33.686 29.762 0.158 0.000 1.865 242 H HN -0.800 7.677 8.280 0.396 0.041 0.512 243 I N 0.822 121.365 120.570 -0.044 0.000 2.827 243 I HA 0.138 nan 4.170 nan 0.000 0.298 243 I C -2.758 173.367 176.117 0.012 0.000 1.235 243 I CA -1.585 59.715 61.300 -0.000 0.000 1.021 243 I CB 4.031 41.931 38.000 -0.168 0.000 1.259 243 I HN 0.114 8.064 8.210 -0.433 0.000 0.427 244 D N 6.782 127.233 120.400 0.085 0.000 2.408 244 D HA 0.665 nan 4.640 nan 0.000 0.243 244 D C -1.551 174.691 176.300 -0.098 0.000 1.075 244 D CA -1.092 52.933 54.000 0.042 0.000 0.832 244 D CB 2.094 42.954 40.800 0.100 0.000 1.162 244 D HN 0.299 8.746 8.370 0.127 0.000 0.515 245 L N 2.734 123.841 121.223 -0.193 0.000 2.307 245 L HA 0.450 nan 4.340 nan 0.000 0.284 245 L C -1.647 175.278 176.870 0.092 0.000 1.023 245 L CA -0.626 54.121 54.840 -0.155 0.000 0.810 245 L CB 1.019 42.763 42.059 -0.525 0.000 1.231 245 L HN 0.672 8.629 8.230 -0.278 0.105 0.423 246 N N 0.203 119.015 118.700 0.187 0.000 3.465 246 N HA 0.229 nan 4.740 nan 0.000 0.332 246 N C -1.708 173.867 175.510 0.108 0.000 1.492 246 N CA -0.811 52.349 53.050 0.183 0.000 0.867 246 N CB 2.008 40.545 38.487 0.083 0.000 1.899 246 N HN 0.020 8.499 8.380 0.164 0.000 0.502 247 G N -3.615 105.192 108.800 0.012 0.000 2.605 247 G HA2 0.258 nan 3.960 nan 0.000 0.296 247 G HA3 0.258 nan 3.960 nan 0.000 0.296 247 G C -2.839 172.012 174.900 -0.081 0.000 1.304 247 G CA -0.985 44.080 45.100 -0.058 0.000 0.941 247 G HN 0.022 8.241 8.290 0.029 0.089 0.475 248 Q N -0.823 118.919 119.800 -0.096 0.000 2.295 248 Q HA 0.340 nan 4.340 nan 0.000 0.268 248 Q C -1.878 174.064 176.000 -0.096 0.000 1.010 248 Q CA -1.118 54.617 55.803 -0.113 0.000 0.856 248 Q CB 3.797 32.468 28.738 -0.113 0.000 1.349 248 Q HN -0.001 8.213 8.270 -0.094 0.000 0.412 249 S N 5.672 121.311 115.700 -0.101 0.000 2.979 249 S HA 0.246 nan 4.470 nan 0.000 0.210 249 S C -0.050 174.515 174.600 -0.059 0.000 1.364 249 S CA -0.821 57.337 58.200 -0.070 0.000 1.208 249 S CB -0.754 62.412 63.200 -0.056 0.000 1.167 249 S HN 0.519 9.117 8.310 -0.133 -0.368 0.519 250 G N 0.943 109.710 108.800 -0.055 0.000 2.422 250 G HA2 -0.221 nan 3.960 nan 0.000 0.607 250 G HA3 -0.221 nan 3.960 nan 0.000 0.607 250 G C -2.028 172.849 174.900 -0.038 0.000 1.270 250 G CA -0.808 44.270 45.100 -0.035 0.000 0.992 250 G HN -0.866 7.334 8.290 -0.060 0.054 0.499 251 I N 2.317 122.877 120.570 -0.016 0.000 2.308 251 I HA 0.070 nan 4.170 nan 0.000 0.293 251 I C -0.505 175.615 176.117 0.004 0.000 1.078 251 I CA 0.594 61.891 61.300 -0.006 0.000 1.292 251 I CB -0.785 37.220 38.000 0.007 0.000 1.423 251 I HN 0.139 8.344 8.210 -0.008 0.000 0.493 252 K N 6.007 126.402 120.400 -0.007 0.000 2.756 252 K HA 0.083 nan 4.320 nan 0.000 0.286 252 K C -1.946 174.663 176.600 0.016 0.000 1.029 252 K CA -1.564 54.749 56.287 0.045 0.000 0.791 252 K CB 1.229 33.765 32.500 0.060 0.000 1.481 252 K HN -0.216 8.014 8.250 -0.032 0.000 0.360 253 Y N -3.653 116.665 120.300 0.029 0.000 2.757 253 Y HA -0.223 nan 4.550 nan 0.000 0.344 253 Y C -0.426 175.486 175.900 0.019 0.000 1.263 253 Y CA -0.834 57.285 58.100 0.031 0.000 1.493 253 Y CB -0.280 38.213 38.460 0.055 0.000 1.342 253 Y HN -0.129 8.446 8.280 0.492 0.000 0.627 254 D N 1.594 121.963 120.400 -0.052 0.000 2.368 254 D HA -0.162 nan 4.640 nan 0.000 0.268 254 D C -0.125 176.055 176.300 -0.200 0.000 1.298 254 D CA 0.840 54.773 54.000 -0.110 0.000 0.938 254 D CB -0.004 40.793 40.800 -0.005 0.000 1.101 254 D HN -0.128 8.618 8.370 0.091 -0.321 0.509 255 Q N 5.300 124.891 119.800 -0.348 0.000 2.163 255 Q HA -0.116 nan 4.340 nan 0.000 0.198 255 Q C 0.384 176.297 176.000 -0.145 0.000 0.954 255 Q CA 1.056 56.680 55.803 -0.299 0.000 0.851 255 Q CB 0.904 29.439 28.738 -0.339 0.000 0.928 255 Q HN 0.209 8.624 8.270 -0.328 -0.343 0.459 256 D N -3.216 117.113 120.400 -0.118 0.000 2.689 256 D HA -0.338 nan 4.640 nan 0.000 0.237 256 D C -0.984 175.332 176.300 0.027 0.000 1.148 256 D CA 1.050 55.012 54.000 -0.063 0.000 0.656 256 D CB -1.933 38.788 40.800 -0.131 0.000 1.050 256 D HN -0.037 8.257 8.370 -0.126 0.000 0.426 257 L N -2.458 118.780 121.223 0.025 0.000 2.474 257 L HA -0.026 nan 4.340 nan 0.000 0.259 257 L C 0.140 177.104 176.870 0.157 0.000 1.232 257 L CA 0.244 55.133 54.840 0.081 0.000 0.821 257 L CB 0.180 42.243 42.059 0.006 0.000 1.108 257 L HN -0.348 7.864 8.230 -0.030 0.000 0.495 258 R N -1.227 119.362 120.500 0.148 0.000 2.643 258 R HA -0.113 nan 4.340 nan 0.000 0.270 258 R C -0.317 175.936 176.300 -0.080 0.000 1.061 258 R CA -0.240 55.819 56.100 -0.068 0.000 1.107 258 R CB 0.536 30.734 30.300 -0.171 0.000 0.999 258 R HN 0.208 8.567 8.270 0.147 0.000 0.460 259 F N 4.391 124.201 119.950 -0.233 0.000 2.629 259 F HA -0.434 nan 4.527 nan 0.000 0.377 259 F C -0.219 175.523 175.800 -0.097 0.000 1.101 259 F CA 2.097 60.045 58.000 -0.087 0.000 1.301 259 F CB 0.190 39.241 39.000 0.085 0.000 1.062 259 F HN -0.441 7.758 8.300 -0.168 0.000 0.583 260 G N 5.577 113.793 108.800 -0.974 0.000 2.397 260 G HA2 -0.330 nan 3.960 nan 0.000 0.211 260 G HA3 -0.330 nan 3.960 nan 0.000 0.211 260 G C -1.244 173.434 174.900 -0.370 0.000 1.077 260 G CA -0.530 44.162 45.100 -0.680 0.000 0.649 260 G HN 0.435 7.999 8.290 -1.209 0.000 0.511 261 A N 2.438 125.105 122.820 -0.255 0.000 2.327 261 A HA 0.122 nan 4.320 nan 0.000 0.255 261 A C -0.193 177.303 177.584 -0.148 0.000 1.099 261 A CA 0.192 52.134 52.037 -0.159 0.000 0.801 261 A CB 0.719 19.662 19.000 -0.096 0.000 1.062 261 A HN -0.543 7.383 8.150 -0.244 0.078 0.496 262 G N -0.032 108.705 108.800 -0.105 0.000 2.554 262 G HA2 -0.283 nan 3.960 nan 0.000 0.253 262 G HA3 -0.283 nan 3.960 nan 0.000 0.253 262 G C -1.039 173.808 174.900 -0.089 0.000 1.172 262 G CA 0.333 45.378 45.100 -0.091 0.000 0.950 262 G HN 0.023 8.259 8.290 -0.089 0.000 0.557 263 D N 3.844 124.195 120.400 -0.081 0.000 2.422 263 D HA 0.173 nan 4.640 nan 0.000 0.227 263 D C 0.524 176.777 176.300 -0.078 0.000 1.190 263 D CA -1.510 52.456 54.000 -0.056 0.000 0.905 263 D CB -0.259 40.529 40.800 -0.020 0.000 1.034 263 D HN 0.001 8.321 8.370 -0.083 0.000 0.507 264 L N 5.921 127.085 121.223 -0.098 0.000 2.109 264 L HA -0.149 nan 4.340 nan 0.000 0.207 264 L C 1.132 177.947 176.870 -0.092 0.000 1.086 264 L CA 2.237 56.997 54.840 -0.134 0.000 0.760 264 L CB 0.229 42.201 42.059 -0.146 0.000 0.910 264 L HN -0.120 8.057 8.230 -0.088 0.000 0.437 265 R N -1.727 118.742 120.500 -0.052 0.000 2.115 265 R HA -0.316 nan 4.340 nan 0.000 0.230 265 R C 2.004 178.393 176.300 0.149 0.000 1.111 265 R CA 2.851 58.938 56.100 -0.021 0.000 0.976 265 R CB -0.679 29.647 30.300 0.043 0.000 0.870 265 R HN -0.079 8.164 8.270 -0.045 0.000 0.445 266 A N -1.265 121.659 122.820 0.173 0.000 1.930 266 A HA -0.159 nan 4.320 nan 0.000 0.217 266 A C 1.884 179.597 177.584 0.215 0.000 1.175 266 A CA 2.761 54.947 52.037 0.247 0.000 0.627 266 A CB -0.887 18.216 19.000 0.171 0.000 0.815 266 A HN -0.416 8.059 8.150 0.099 -0.265 0.443 267 A N -0.812 122.059 122.820 0.085 0.000 1.902 267 A HA -0.276 nan 4.320 nan 0.000 0.217 267 A C 1.425 179.064 177.584 0.092 0.000 1.181 267 A CA 2.878 54.955 52.037 0.066 0.000 0.623 267 A CB -0.828 17.953 19.000 -0.365 0.000 0.818 267 A HN -0.429 7.649 8.150 0.008 0.077 0.443 268 F N -0.602 119.246 119.950 -0.170 0.000 2.095 268 F HA -0.415 nan 4.527 nan 0.000 0.298 268 F C 0.914 176.559 175.800 -0.258 0.000 1.104 268 F CA 3.860 61.673 58.000 -0.311 0.000 1.232 268 F CB 0.119 38.783 39.000 -0.560 0.000 0.987 268 F HN -0.508 7.832 8.300 0.066 0.000 0.475 269 W N -3.330 117.985 121.300 0.026 0.000 2.467 269 W HA -0.334 nan 4.660 nan 0.000 0.275 269 W C 2.096 178.575 176.519 -0.068 0.000 1.239 269 W CA 2.400 59.704 57.345 -0.068 0.000 1.266 269 W CB 0.116 29.611 29.460 0.059 0.000 1.112 269 W HN -0.183 8.085 8.180 0.146 0.000 0.576 270 L N 0.072 121.420 121.223 0.208 0.000 2.027 270 L HA -0.317 nan 4.340 nan 0.000 0.206 270 L C 1.470 178.374 176.870 0.056 0.000 1.074 270 L CA 3.578 58.520 54.840 0.170 0.000 0.745 270 L CB -0.419 41.829 42.059 0.316 0.000 0.898 270 L HN -0.031 8.246 8.230 0.239 0.096 0.433 271 V N -0.450 119.441 119.914 -0.038 0.000 2.343 271 V HA -0.568 nan 4.120 nan 0.000 0.247 271 V C 1.850 177.843 176.094 -0.169 0.000 1.051 271 V CA 4.714 66.903 62.300 -0.186 0.000 1.036 271 V CB -1.211 30.378 31.823 -0.390 0.000 0.654 271 V HN 0.119 8.304 8.190 -0.008 0.000 0.451 272 D N -0.919 119.322 120.400 -0.266 0.000 2.123 272 D HA -0.322 nan 4.640 nan 0.000 0.196 272 D C 1.879 178.168 176.300 -0.018 0.000 0.992 272 D CA 3.629 57.515 54.000 -0.190 0.000 0.833 272 D CB 0.140 40.766 40.800 -0.291 0.000 0.954 272 D HN -0.277 7.856 8.370 -0.395 0.000 0.455 273 L N -0.569 120.669 121.223 0.025 0.000 2.027 273 L HA -0.285 nan 4.340 nan 0.000 0.206 273 L C 1.946 178.841 176.870 0.043 0.000 1.074 273 L CA 3.144 58.012 54.840 0.046 0.000 0.745 273 L CB -0.080 42.003 42.059 0.041 0.000 0.898 273 L HN -0.565 7.602 8.230 0.025 0.078 0.433 274 L N -1.992 119.256 121.223 0.043 0.000 2.046 274 L HA -0.511 nan 4.340 nan 0.000 0.208 274 L C 2.334 179.286 176.870 0.138 0.000 1.077 274 L CA 3.471 58.368 54.840 0.094 0.000 0.747 274 L CB -0.483 41.652 42.059 0.127 0.000 0.896 274 L HN 0.240 8.488 8.230 0.030 0.000 0.432 275 E N -1.774 118.483 120.200 0.096 0.000 2.112 275 E HA -0.186 nan 4.350 nan 0.000 0.190 275 E C 3.303 179.939 176.600 0.060 0.000 0.979 275 E CA 2.382 58.833 56.400 0.084 0.000 0.814 275 E CB -0.402 29.329 29.700 0.052 0.000 0.762 275 E HN 0.172 8.566 8.360 0.057 0.000 0.460 276 S N -0.005 115.725 115.700 0.051 0.000 2.461 276 S HA -0.081 nan 4.470 nan 0.000 0.228 276 S C 1.429 176.062 174.600 0.054 0.000 1.005 276 S CA 2.519 60.748 58.200 0.048 0.000 0.942 276 S CB 0.186 63.417 63.200 0.052 0.000 0.776 276 S HN 0.141 8.372 8.310 0.044 0.105 0.514 277 A N -0.032 122.828 122.820 0.068 0.000 2.208 277 A HA 0.111 nan 4.320 nan 0.000 0.209 277 A C 0.113 177.747 177.584 0.084 0.000 1.161 277 A CA -0.124 51.958 52.037 0.076 0.000 0.782 277 A CB -0.121 18.931 19.000 0.086 0.000 0.816 277 A HN -0.042 8.151 8.150 0.072 0.000 0.477 278 G N -1.317 107.531 108.800 0.080 0.000 2.323 278 G HA2 -0.403 nan 3.960 nan 0.000 0.292 278 G HA3 -0.403 nan 3.960 nan 0.000 0.292 278 G C -0.715 174.226 174.900 0.069 0.000 1.040 278 G CA 0.143 45.277 45.100 0.056 0.000 0.942 278 G HN -0.621 7.527 8.290 0.078 0.189 0.506 279 Y N -0.296 120.003 120.300 -0.002 0.000 2.526 279 Y HA -0.163 nan 4.550 nan 0.000 0.330 279 Y C -0.589 175.287 175.900 -0.040 0.000 1.156 279 Y CA 0.313 58.407 58.100 -0.011 0.000 1.419 279 Y CB 1.235 39.694 38.460 -0.002 0.000 1.250 279 Y HN -0.601 7.826 8.280 0.245 0.000 0.540 280 E N 6.446 126.234 120.200 -0.686 0.000 2.583 280 E HA 0.074 nan 4.350 nan 0.000 0.213 280 E C -0.680 175.474 176.600 -0.743 0.000 0.989 280 E CA -0.871 55.178 56.400 -0.583 0.000 0.991 280 E CB 0.835 30.353 29.700 -0.303 0.000 1.040 280 E HN 0.270 8.283 8.360 -0.579 0.000 0.481 281 G N 0.422 108.456 108.800 -1.276 0.000 2.588 281 G HA2 0.253 nan 3.960 nan 0.000 0.278 281 G HA3 0.253 nan 3.960 nan 0.000 0.278 281 G C -2.634 171.985 174.900 -0.467 0.000 1.307 281 G CA -1.615 43.085 45.100 -0.667 0.000 1.016 281 G HN -0.327 6.550 8.290 -2.355 0.000 0.503 282 P HA 0.071 nan 4.420 nan 0.000 0.272 282 P C -1.157 176.007 177.300 -0.228 0.000 1.223 282 P CA -0.195 62.780 63.100 -0.209 0.000 0.784 282 P CB 0.589 32.226 31.700 -0.104 0.000 0.923 283 R N 0.550 120.863 120.500 -0.312 0.000 2.369 283 R HA 0.387 nan 4.340 nan 0.000 0.310 283 R C -0.920 174.992 176.300 -0.646 0.000 1.141 283 R CA -1.661 54.155 56.100 -0.473 0.000 1.116 283 R CB -0.333 29.594 30.300 -0.621 0.000 1.135 283 R HN 0.309 8.390 8.270 -0.315 0.000 0.529 284 H N 4.268 122.936 119.070 -0.670 0.000 2.489 284 H HA 0.410 nan 4.556 nan 0.000 0.322 284 H C -1.763 173.133 175.328 -0.721 0.000 1.091 284 H CA -1.523 54.198 56.048 -0.544 0.000 1.291 284 H CB 2.696 32.358 29.762 -0.166 0.000 1.436 284 H HN -0.422 7.613 8.280 -0.407 0.000 0.480 285 F N 5.852 125.340 119.950 -0.769 0.000 2.385 285 F HA 0.193 nan 4.527 nan 0.000 0.360 285 F C -1.788 173.684 175.800 -0.546 0.000 1.122 285 F CA -1.416 56.200 58.000 -0.639 0.000 1.090 285 F CB 0.670 39.165 39.000 -0.842 0.000 1.150 285 F HN 0.464 8.231 8.300 -0.889 0.000 0.472 286 D N 5.013 125.347 120.400 -0.109 0.000 2.472 286 D HA 0.203 nan 4.640 nan 0.000 0.234 286 D C -1.819 174.600 176.300 0.199 0.000 1.088 286 D CA -1.988 52.038 54.000 0.045 0.000 0.882 286 D CB 0.859 41.758 40.800 0.165 0.000 1.037 286 D HN -0.333 7.996 8.370 -0.069 0.000 0.520 287 F N -0.625 119.301 119.950 -0.039 0.000 2.726 287 F HA 0.524 nan 4.527 nan 0.000 0.324 287 F C -2.793 172.969 175.800 -0.063 0.000 1.140 287 F CA -2.143 55.832 58.000 -0.042 0.000 0.964 287 F CB 2.537 41.535 39.000 -0.003 0.000 1.399 287 F HN -0.795 7.716 8.300 0.350 0.000 0.491 288 K N 0.774 120.862 120.400 -0.520 0.000 2.541 288 K HA 0.397 nan 4.320 nan 0.000 0.250 288 K C -2.843 173.532 176.600 -0.374 0.000 0.950 288 K CA -2.708 53.218 56.287 -0.602 0.000 0.805 288 K CB 2.725 34.723 32.500 -0.836 0.000 1.166 288 K HN 0.411 8.562 8.250 -0.165 0.000 0.430 289 P HA 0.110 nan 4.420 nan 0.000 0.267 289 P C -2.064 175.366 177.300 0.217 0.000 1.205 289 P CA -1.113 61.980 63.100 -0.012 0.000 0.765 289 P CB -0.446 31.206 31.700 -0.080 0.000 0.828 290 P HA -0.083 nan 4.420 nan 0.000 0.264 290 P C 0.397 177.818 177.300 0.202 0.000 1.179 290 P CA 0.475 63.724 63.100 0.249 0.000 0.763 290 P CB 0.252 32.040 31.700 0.147 0.000 0.806 291 R N 1.943 122.554 120.500 0.186 0.000 2.316 291 R HA -0.158 nan 4.340 nan 0.000 0.202 291 R C 0.279 176.556 176.300 -0.039 0.000 1.029 291 R CA 2.338 58.398 56.100 -0.066 0.000 1.018 291 R CB -0.842 29.343 30.300 -0.192 0.000 0.888 291 R HN 0.418 8.872 8.270 0.306 0.000 0.471 292 T N -6.438 108.128 114.554 0.019 0.000 2.977 292 T HA -0.163 nan 4.350 nan 0.000 0.271 292 T C 0.456 175.152 174.700 -0.007 0.000 1.105 292 T CA 0.797 62.901 62.100 0.006 0.000 1.116 292 T CB -0.680 68.204 68.868 0.026 0.000 0.878 292 T HN -0.371 7.862 8.240 0.063 0.045 0.509 293 E N 2.113 122.306 120.200 -0.011 0.000 2.242 293 E HA 0.270 nan 4.350 nan 0.000 0.275 293 E C -0.452 176.118 176.600 -0.050 0.000 1.002 293 E CA -1.369 55.019 56.400 -0.020 0.000 0.841 293 E CB 1.284 30.977 29.700 -0.012 0.000 1.109 293 E HN -0.416 7.883 8.360 -0.004 0.059 0.394 294 D N 0.789 121.164 120.400 -0.042 0.000 2.511 294 D HA 0.001 nan 4.640 nan 0.000 0.276 294 D C 1.213 177.465 176.300 -0.080 0.000 1.220 294 D CA -0.794 53.175 54.000 -0.053 0.000 1.077 294 D CB 0.713 41.498 40.800 -0.025 0.000 1.126 294 D HN 0.019 8.374 8.370 -0.025 0.000 0.583 295 I N -1.953 118.572 120.570 -0.075 0.000 2.454 295 I HA -0.304 nan 4.170 nan 0.000 0.254 295 I C 0.390 176.445 176.117 -0.102 0.000 1.156 295 I CA 2.178 63.398 61.300 -0.134 0.000 1.433 295 I CB 0.315 38.298 38.000 -0.028 0.000 1.082 295 I HN 0.060 8.244 8.210 -0.044 0.000 0.432 296 D N -0.719 119.696 120.400 0.025 0.000 2.183 296 D HA -0.194 nan 4.640 nan 0.000 0.203 296 D C 2.560 178.893 176.300 0.055 0.000 0.969 296 D CA 3.440 57.502 54.000 0.103 0.000 0.842 296 D CB -0.486 40.367 40.800 0.088 0.000 0.957 296 D HN -0.517 7.992 8.370 0.021 -0.126 0.484 297 G N -0.057 108.741 108.800 -0.003 0.000 2.422 297 G HA2 -0.280 nan 3.960 nan 0.000 0.218 297 G HA3 -0.280 nan 3.960 nan 0.000 0.218 297 G C 1.316 176.194 174.900 -0.038 0.000 1.140 297 G CA 1.991 47.088 45.100 -0.005 0.000 0.775 297 G HN -0.374 8.047 8.290 -0.015 -0.140 0.545 298 V N 2.360 122.173 119.914 -0.168 0.000 2.295 298 V HA -0.396 nan 4.120 nan 0.000 0.246 298 V C 1.821 177.765 176.094 -0.250 0.000 1.049 298 V CA 3.974 66.089 62.300 -0.308 0.000 1.024 298 V CB -0.722 30.718 31.823 -0.639 0.000 0.648 298 V HN -0.411 7.543 8.190 -0.195 0.118 0.447 299 W N -2.195 119.113 121.300 0.015 0.000 2.436 299 W HA -0.364 nan 4.660 nan 0.000 0.284 299 W C 1.751 178.262 176.519 -0.013 0.000 1.225 299 W CA 2.513 59.847 57.345 -0.019 0.000 1.271 299 W CB -0.463 28.979 29.460 -0.030 0.000 1.114 299 W HN -0.468 7.523 8.180 -0.314 0.000 0.559 300 A N -1.028 121.893 122.820 0.168 0.000 1.877 300 A HA -0.429 nan 4.320 nan 0.000 0.216 300 A C 2.037 179.658 177.584 0.063 0.000 1.186 300 A CA 3.130 55.225 52.037 0.096 0.000 0.620 300 A CB -1.068 17.973 19.000 0.067 0.000 0.822 300 A HN -0.066 8.173 8.150 0.148 0.000 0.443 301 S N -1.309 114.441 115.700 0.084 0.000 2.368 301 S HA -0.321 nan 4.470 nan 0.000 0.224 301 S C 1.941 176.554 174.600 0.022 0.000 1.029 301 S CA 3.106 61.370 58.200 0.107 0.000 0.988 301 S CB -0.311 63.046 63.200 0.261 0.000 0.838 301 S HN -0.171 8.190 8.310 0.084 0.000 0.462 302 A N 0.188 123.087 122.820 0.131 0.000 1.930 302 A HA -0.201 nan 4.320 nan 0.000 0.217 302 A C 1.732 179.261 177.584 -0.092 0.000 1.175 302 A CA 2.849 54.889 52.037 0.004 0.000 0.627 302 A CB -0.731 18.279 19.000 0.017 0.000 0.815 302 A HN -0.096 8.169 8.150 0.191 0.000 0.443 303 A N -2.650 120.154 122.820 -0.026 0.000 1.969 303 A HA -0.205 nan 4.320 nan 0.000 0.218 303 A C 2.094 179.609 177.584 -0.115 0.000 1.169 303 A CA 2.730 54.740 52.037 -0.044 0.000 0.635 303 A CB -0.492 18.516 19.000 0.013 0.000 0.810 303 A HN 0.263 8.441 8.150 0.047 0.000 0.445 304 G N -2.186 106.541 108.800 -0.123 0.000 2.432 304 G HA2 -0.405 nan 3.960 nan 0.000 0.219 304 G HA3 -0.405 nan 3.960 nan 0.000 0.219 304 G C 0.705 175.452 174.900 -0.256 0.000 1.135 304 G CA 2.031 47.043 45.100 -0.148 0.000 0.767 304 G HN 0.008 8.248 8.290 -0.083 0.000 0.550 305 C N 1.906 120.934 119.300 -0.453 0.000 2.393 305 C HA -0.400 nan 4.460 nan 0.000 0.276 305 C C 2.296 176.881 174.990 -0.675 0.000 1.215 305 C CA 4.593 63.151 59.018 -0.767 0.000 1.743 305 C CB -1.117 25.643 27.740 -1.633 0.000 2.044 305 C HN -0.266 7.688 8.230 -0.448 0.007 0.464 306 M N -1.492 117.690 119.600 -0.697 0.000 2.156 306 M HA -0.353 nan 4.480 nan 0.000 0.264 306 M C 2.092 178.254 176.300 -0.229 0.000 1.067 306 M CA 3.886 58.744 55.300 -0.737 0.000 1.131 306 M CB -0.308 31.880 32.600 -0.687 0.000 1.368 306 M HN -0.710 7.231 8.290 -0.581 0.000 0.416 307 R N -0.390 120.034 120.500 -0.127 0.000 2.091 307 R HA -0.449 nan 4.340 nan 0.000 0.238 307 R C 1.945 178.211 176.300 -0.056 0.000 1.136 307 R CA 4.040 60.118 56.100 -0.036 0.000 0.959 307 R CB -0.235 30.035 30.300 -0.049 0.000 0.856 307 R HN 0.035 8.201 8.270 -0.174 0.000 0.437 308 N N -1.136 117.536 118.700 -0.047 0.000 2.244 308 N HA -0.305 nan 4.740 nan 0.000 0.183 308 N C 2.098 177.695 175.510 0.146 0.000 1.016 308 N CA 3.090 56.120 53.050 -0.033 0.000 0.866 308 N CB 0.001 38.426 38.487 -0.103 0.000 0.980 308 N HN -0.254 8.076 8.380 -0.083 0.000 0.430 309 Y N 1.922 122.382 120.300 0.267 0.000 2.181 309 Y HA -0.398 nan 4.550 nan 0.000 0.288 309 Y C 1.288 177.348 175.900 0.266 0.000 1.146 309 Y CA 4.229 62.567 58.100 0.397 0.000 1.164 309 Y CB 0.267 38.990 38.460 0.439 0.000 0.982 309 Y HN -0.518 7.998 8.280 0.395 0.000 0.515 310 L N -1.921 119.559 121.223 0.430 0.000 2.093 310 L HA -0.415 nan 4.340 nan 0.000 0.208 310 L C 2.205 179.151 176.870 0.127 0.000 1.085 310 L CA 3.174 58.229 54.840 0.358 0.000 0.755 310 L CB -0.181 42.125 42.059 0.410 0.000 0.904 310 L HN -0.223 8.161 8.230 0.381 0.074 0.435 311 I N -0.618 119.844 120.570 -0.179 0.000 2.202 311 I HA -0.550 nan 4.170 nan 0.000 0.242 311 I C 1.796 177.867 176.117 -0.076 0.000 1.091 311 I CA 4.451 65.530 61.300 -0.368 0.000 1.368 311 I CB -0.187 37.502 38.000 -0.519 0.000 1.058 311 I HN -0.053 8.051 8.210 -0.177 0.000 0.410 312 L N -1.559 119.628 121.223 -0.059 0.000 2.131 312 L HA -0.467 nan 4.340 nan 0.000 0.210 312 L C 1.935 178.763 176.870 -0.070 0.000 1.092 312 L CA 3.219 58.041 54.840 -0.029 0.000 0.759 312 L CB -0.844 41.177 42.059 -0.063 0.000 0.903 312 L HN -0.173 8.016 8.230 -0.068 0.000 0.435 313 K N -0.384 119.967 120.400 -0.082 0.000 2.063 313 K HA -0.444 nan 4.320 nan 0.000 0.208 313 K C 1.916 178.541 176.600 0.041 0.000 1.048 313 K CA 3.712 59.972 56.287 -0.045 0.000 0.928 313 K CB -0.364 32.185 32.500 0.083 0.000 0.713 313 K HN 0.180 8.383 8.250 -0.062 0.010 0.442 314 E N -0.924 119.345 120.200 0.115 0.000 2.106 314 E HA -0.300 nan 4.350 nan 0.000 0.192 314 E C 2.519 179.209 176.600 0.150 0.000 0.984 314 E CA 3.101 59.595 56.400 0.157 0.000 0.806 314 E CB -0.167 29.692 29.700 0.265 0.000 0.750 314 E HN -0.499 7.940 8.360 0.131 0.000 0.458 315 R N -1.627 118.968 120.500 0.159 0.000 2.092 315 R HA -0.221 nan 4.340 nan 0.000 0.231 315 R C 2.402 178.866 176.300 0.273 0.000 1.119 315 R CA 1.896 58.137 56.100 0.235 0.000 0.970 315 R CB -0.766 29.686 30.300 0.254 0.000 0.864 315 R HN 0.056 8.329 8.270 0.128 0.074 0.440 316 A N -1.177 121.708 122.820 0.109 0.000 1.898 316 A HA -0.137 nan 4.320 nan 0.000 0.216 316 A C 1.908 179.528 177.584 0.059 0.000 1.181 316 A CA 2.894 54.884 52.037 -0.079 0.000 0.620 316 A CB -0.897 17.848 19.000 -0.424 0.000 0.819 316 A HN 0.162 8.330 8.150 0.030 0.000 0.442 317 A N -2.021 120.824 122.820 0.042 0.000 1.898 317 A HA -0.285 nan 4.320 nan 0.000 0.216 317 A C 1.873 179.478 177.584 0.035 0.000 1.181 317 A CA 2.810 54.872 52.037 0.041 0.000 0.620 317 A CB -0.667 18.362 19.000 0.048 0.000 0.819 317 A HN -0.191 7.979 8.150 0.034 0.000 0.442 318 A N -1.401 121.457 122.820 0.064 0.000 1.933 318 A HA -0.254 nan 4.320 nan 0.000 0.218 318 A C 1.700 179.142 177.584 -0.237 0.000 1.175 318 A CA 2.747 54.803 52.037 0.032 0.000 0.628 318 A CB -0.691 18.421 19.000 0.186 0.000 0.814 318 A HN -0.200 8.012 8.150 0.103 0.000 0.444 319 F N -0.474 119.184 119.950 -0.486 0.000 2.102 319 F HA -0.330 nan 4.527 nan 0.000 0.298 319 F C 1.952 177.602 175.800 -0.251 0.000 1.105 319 F CA 3.093 60.697 58.000 -0.661 0.000 1.239 319 F CB 0.266 39.167 39.000 -0.166 0.000 0.991 319 F HN -0.246 8.089 8.300 0.058 0.000 0.474 320 R N -2.085 118.268 120.500 -0.244 0.000 2.148 320 R HA -0.200 nan 4.340 nan 0.000 0.223 320 R C 1.321 177.500 176.300 -0.201 0.000 1.088 320 R CA 1.834 57.768 56.100 -0.276 0.000 0.985 320 R CB -0.660 29.605 30.300 -0.059 0.000 0.880 320 R HN -0.096 8.184 8.270 0.017 0.000 0.451 321 A N -1.891 120.847 122.820 -0.137 0.000 2.123 321 A HA -0.028 nan 4.320 nan 0.000 0.214 321 A C 0.025 177.568 177.584 -0.070 0.000 1.152 321 A CA 0.076 52.067 52.037 -0.075 0.000 0.728 321 A CB 0.368 19.352 19.000 -0.027 0.000 0.814 321 A HN -0.525 7.520 8.150 -0.127 0.029 0.464 322 D N 0.440 120.778 120.400 -0.103 0.000 2.434 322 D HA 0.124 nan 4.640 nan 0.000 0.252 322 D C -1.215 175.063 176.300 -0.037 0.000 1.185 322 D CA -1.874 52.112 54.000 -0.024 0.000 0.886 322 D CB 0.550 41.378 40.800 0.047 0.000 1.148 322 D HN -0.648 7.607 8.370 -0.192 0.000 0.483 323 P HA -0.282 nan 4.420 nan 0.000 0.216 323 P C 1.074 178.373 177.300 -0.001 0.000 1.150 323 P CA 2.253 65.349 63.100 -0.006 0.000 0.843 323 P CB 0.315 32.020 31.700 0.008 0.000 0.787 324 E N -2.549 117.663 120.200 0.021 0.000 2.152 324 E HA -0.236 nan 4.350 nan 0.000 0.192 324 E C 2.278 178.893 176.600 0.025 0.000 0.983 324 E CA 2.980 59.400 56.400 0.034 0.000 0.818 324 E CB -0.037 29.699 29.700 0.060 0.000 0.758 324 E HN -0.308 8.296 8.360 0.036 -0.222 0.467 325 V N 1.410 121.313 119.914 -0.019 0.000 2.379 325 V HA -0.340 nan 4.120 nan 0.000 0.245 325 V C 2.295 178.324 176.094 -0.108 0.000 1.044 325 V CA 3.799 66.035 62.300 -0.108 0.000 1.036 325 V CB -0.648 30.925 31.823 -0.417 0.000 0.664 325 V HN -0.441 7.643 8.190 -0.018 0.095 0.453 326 Q N -2.201 117.539 119.800 -0.099 0.000 2.167 326 Q HA -0.332 nan 4.340 nan 0.000 0.202 326 Q C 2.491 178.480 176.000 -0.019 0.000 0.970 326 Q CA 2.903 58.667 55.803 -0.064 0.000 0.855 326 Q CB -0.706 28.000 28.738 -0.053 0.000 0.911 326 Q HN -0.077 8.061 8.270 -0.097 0.074 0.438 327 E N 0.288 120.485 120.200 -0.004 0.000 2.072 327 E HA -0.261 nan 4.350 nan 0.000 0.190 327 E C 1.893 178.511 176.600 0.030 0.000 0.982 327 E CA 2.688 59.096 56.400 0.014 0.000 0.803 327 E CB -0.055 29.655 29.700 0.017 0.000 0.755 327 E HN -0.250 8.007 8.360 -0.008 0.097 0.453 328 A N -0.183 122.663 122.820 0.043 0.000 1.978 328 A HA -0.230 nan 4.320 nan 0.000 0.220 328 A C 2.387 180.026 177.584 0.092 0.000 1.170 328 A CA 2.950 55.033 52.037 0.076 0.000 0.636 328 A CB -0.712 18.353 19.000 0.109 0.000 0.810 328 A HN -0.069 8.102 8.150 0.034 0.000 0.448 329 L N -3.044 118.220 121.223 0.068 0.000 2.109 329 L HA -0.412 nan 4.340 nan 0.000 0.207 329 L C 2.211 179.124 176.870 0.072 0.000 1.086 329 L CA 2.945 57.834 54.840 0.082 0.000 0.760 329 L CB -0.510 41.574 42.059 0.043 0.000 0.910 329 L HN -0.058 8.192 8.230 0.034 0.000 0.437 330 R N -1.316 119.212 120.500 0.046 0.000 2.075 330 R HA -0.315 nan 4.340 nan 0.000 0.232 330 R C 2.765 179.089 176.300 0.040 0.000 1.126 330 R CA 3.430 59.553 56.100 0.038 0.000 0.963 330 R CB -0.323 29.991 30.300 0.024 0.000 0.858 330 R HN -0.606 7.686 8.270 0.036 0.000 0.435 331 A N -0.367 122.479 122.820 0.042 0.000 2.019 331 A HA -0.185 nan 4.320 nan 0.000 0.219 331 A C 1.144 178.744 177.584 0.027 0.000 1.164 331 A CA 2.822 54.878 52.037 0.032 0.000 0.644 331 A CB -0.774 18.246 19.000 0.034 0.000 0.805 331 A HN 0.076 8.253 8.150 0.045 0.000 0.449 332 S N -2.985 112.760 115.700 0.075 0.000 2.634 332 S HA -0.006 nan 4.470 nan 0.000 0.221 332 S C -0.481 174.196 174.600 0.129 0.000 0.952 332 S CA -0.266 57.997 58.200 0.105 0.000 0.930 332 S CB 0.062 63.468 63.200 0.345 0.000 0.780 332 S HN -0.550 7.703 8.310 0.100 0.116 0.498 333 R N -2.003 118.544 120.500 0.078 0.000 3.641 333 R HA -0.396 nan 4.340 nan 0.000 0.286 333 R C 0.329 176.678 176.300 0.082 0.000 1.153 333 R CA 1.117 57.257 56.100 0.066 0.000 0.775 333 R CB -2.900 27.428 30.300 0.047 0.000 1.215 333 R HN -0.176 7.913 8.270 0.061 0.218 0.474 334 L N -2.135 119.145 121.223 0.095 0.000 2.191 334 L HA -0.399 nan 4.340 nan 0.000 0.212 334 L C 0.852 177.749 176.870 0.045 0.000 1.103 334 L CA 3.768 58.652 54.840 0.073 0.000 0.769 334 L CB -0.405 41.700 42.059 0.076 0.000 0.908 334 L HN 0.105 8.365 8.230 0.107 0.034 0.438 335 D N -2.098 118.326 120.400 0.040 0.000 2.117 335 D HA -0.298 nan 4.640 nan 0.000 0.198 335 D C 2.103 178.419 176.300 0.027 0.000 0.982 335 D CA 2.711 56.728 54.000 0.029 0.000 0.828 335 D CB -1.136 39.679 40.800 0.025 0.000 0.967 335 D HN 0.013 8.394 8.370 0.044 0.016 0.464 336 E N 0.581 120.799 120.200 0.030 0.000 2.204 336 E HA -0.198 nan 4.350 nan 0.000 0.194 336 E C 2.110 178.725 176.600 0.024 0.000 0.989 336 E CA 1.995 58.411 56.400 0.026 0.000 0.824 336 E CB -0.087 29.631 29.700 0.029 0.000 0.756 336 E HN -0.201 8.099 8.360 0.035 0.082 0.477 337 L N -1.143 120.097 121.223 0.027 0.000 2.201 337 L HA -0.234 nan 4.340 nan 0.000 0.212 337 L C 0.159 177.035 176.870 0.010 0.000 1.105 337 L CA 1.989 56.839 54.840 0.017 0.000 0.775 337 L CB -0.016 42.053 42.059 0.016 0.000 0.913 337 L HN -0.598 7.630 8.230 0.035 0.023 0.440 338 A N -3.338 119.491 122.820 0.015 0.000 2.123 338 A HA -0.024 nan 4.320 nan 0.000 0.214 338 A C 0.082 177.676 177.584 0.017 0.000 1.152 338 A CA 0.359 52.406 52.037 0.017 0.000 0.728 338 A CB 0.232 19.244 19.000 0.019 0.000 0.814 338 A HN -0.678 7.343 8.150 0.019 0.140 0.464 339 Q N -0.136 119.674 119.800 0.015 0.000 2.304 339 Q HA 0.175 nan 4.340 nan 0.000 0.260 339 Q C -2.376 173.630 176.000 0.011 0.000 0.965 339 Q CA -2.187 53.624 55.803 0.014 0.000 0.898 339 Q CB -0.267 28.479 28.738 0.013 0.000 1.196 339 Q HN -0.677 7.447 8.270 0.016 0.155 0.402 340 P HA 0.006 nan 4.420 nan 0.000 0.265 340 P C 0.405 177.707 177.300 0.002 0.000 1.193 340 P CA 0.189 63.295 63.100 0.010 0.000 0.765 340 P CB 0.435 32.142 31.700 0.011 0.000 0.823 341 T N 3.325 117.877 114.554 -0.002 0.000 2.708 341 T HA -0.136 nan 4.350 nan 0.000 0.266 341 T C 0.292 174.984 174.700 -0.013 0.000 1.037 341 T CA 2.084 64.177 62.100 -0.012 0.000 1.146 341 T CB 0.007 68.865 68.868 -0.017 0.000 0.865 341 T HN 0.265 8.505 8.240 0.000 0.000 0.435 342 A N 0.471 123.286 122.820 -0.009 0.000 3.156 342 A HA 0.441 nan 4.320 nan 0.000 0.311 342 A C -0.884 176.698 177.584 -0.003 0.000 1.129 342 A CA -0.251 51.781 52.037 -0.009 0.000 0.809 342 A CB 0.414 19.405 19.000 -0.014 0.000 1.257 342 A HN -0.288 7.859 8.150 -0.005 0.000 0.491 343 A N 0.872 123.692 122.820 0.000 0.000 2.121 343 A HA -0.167 nan 4.320 nan 0.000 0.218 343 A C 0.442 178.027 177.584 0.001 0.000 1.154 343 A CA 2.267 54.306 52.037 0.003 0.000 0.679 343 A CB -0.115 18.888 19.000 0.005 0.000 0.795 343 A HN 0.656 8.807 8.150 0.000 0.000 0.458 344 D N -2.651 117.749 120.400 -0.000 0.000 2.395 344 D HA 0.157 nan 4.640 nan 0.000 0.226 344 D C -0.547 175.752 176.300 -0.003 0.000 1.146 344 D CA -0.674 53.326 54.000 -0.001 0.000 0.830 344 D CB -0.462 40.338 40.800 0.000 0.000 0.958 344 D HN -0.330 8.123 8.370 -0.001 -0.084 0.501 345 G N -0.791 108.007 108.800 -0.004 0.000 2.795 345 G HA2 -0.366 nan 3.960 nan 0.000 0.664 345 G HA3 -0.366 nan 3.960 nan 0.000 0.664 345 G C -0.219 174.675 174.900 -0.010 0.000 1.381 345 G CA -0.454 44.643 45.100 -0.006 0.000 0.853 345 G HN -0.818 7.384 8.290 -0.003 0.085 0.545 346 V N 0.754 120.661 119.914 -0.012 0.000 2.667 346 V HA -0.177 nan 4.120 nan 0.000 0.252 346 V C 1.048 177.130 176.094 -0.019 0.000 1.065 346 V CA 2.739 65.028 62.300 -0.018 0.000 1.083 346 V CB -0.125 31.686 31.823 -0.020 0.000 0.692 346 V HN 0.313 8.497 8.190 -0.011 0.000 0.468 347 Q N -0.984 118.807 119.800 -0.014 0.000 2.187 347 Q HA -0.271 nan 4.340 nan 0.000 0.199 347 Q C 1.674 177.669 176.000 -0.009 0.000 0.957 347 Q CA 2.957 58.753 55.803 -0.013 0.000 0.857 347 Q CB -0.765 27.968 28.738 -0.010 0.000 0.929 347 Q HN 0.057 8.320 8.270 -0.012 0.000 0.453 348 E N 0.400 120.596 120.200 -0.007 0.000 2.106 348 E HA -0.275 nan 4.350 nan 0.000 0.192 348 E C 2.083 178.680 176.600 -0.005 0.000 0.984 348 E CA 2.441 58.839 56.400 -0.003 0.000 0.806 348 E CB -0.221 29.477 29.700 -0.002 0.000 0.750 348 E HN -0.383 7.972 8.360 -0.007 0.000 0.458 349 L N -0.246 120.970 121.223 -0.011 0.000 2.046 349 L HA -0.232 nan 4.340 nan 0.000 0.208 349 L C 2.176 179.036 176.870 -0.016 0.000 1.077 349 L CA 2.746 57.577 54.840 -0.016 0.000 0.747 349 L CB -0.003 42.041 42.059 -0.025 0.000 0.896 349 L HN -0.553 7.589 8.230 -0.013 0.080 0.432 350 L N -2.174 119.035 121.223 -0.023 0.000 2.201 350 L HA -0.277 nan 4.340 nan 0.000 0.212 350 L C 1.337 178.201 176.870 -0.010 0.000 1.105 350 L CA 2.246 57.069 54.840 -0.029 0.000 0.775 350 L CB -0.157 41.881 42.059 -0.035 0.000 0.913 350 L HN 0.003 8.219 8.230 -0.022 0.000 0.440 351 A N -2.728 120.091 122.820 -0.000 0.000 2.072 351 A HA -0.049 nan 4.320 nan 0.000 0.216 351 A C 0.104 177.701 177.584 0.023 0.000 1.156 351 A CA 0.517 52.560 52.037 0.010 0.000 0.701 351 A CB 0.482 19.487 19.000 0.008 0.000 0.816 351 A HN -0.526 7.494 8.150 -0.004 0.127 0.458 352 D N -0.943 119.471 120.400 0.023 0.000 2.349 352 D HA -0.106 nan 4.640 nan 0.000 0.266 352 D C 1.085 177.422 176.300 0.061 0.000 1.293 352 D CA -0.011 54.010 54.000 0.034 0.000 0.926 352 D CB 0.218 41.032 40.800 0.023 0.000 1.090 352 D HN -0.652 7.621 8.370 0.014 0.106 0.502 353 R N 6.011 126.551 120.500 0.065 0.000 2.148 353 R HA -0.244 nan 4.340 nan 0.000 0.227 353 R C 1.739 178.100 176.300 0.101 0.000 1.103 353 R CA 2.720 58.873 56.100 0.089 0.000 0.983 353 R CB -0.049 30.292 30.300 0.069 0.000 0.874 353 R HN 0.217 8.517 8.270 0.051 0.000 0.451 354 T N -5.205 109.401 114.554 0.086 0.000 3.072 354 T HA -0.012 nan 4.350 nan 0.000 0.266 354 T C 0.520 175.294 174.700 0.123 0.000 1.127 354 T CA 2.118 64.286 62.100 0.114 0.000 1.107 354 T CB -0.623 68.303 68.868 0.096 0.000 0.910 354 T HN -0.389 8.094 8.240 0.067 -0.202 0.513 355 A N -0.840 122.020 122.820 0.067 0.000 2.218 355 A HA 0.014 nan 4.320 nan 0.000 0.209 355 A C -0.815 176.825 177.584 0.093 0.000 1.168 355 A CA 1.652 53.678 52.037 -0.019 0.000 0.804 355 A CB 0.557 19.550 19.000 -0.011 0.000 0.834 355 A HN -0.251 7.796 8.150 0.074 0.148 0.482 356 F N -2.810 117.154 119.950 0.023 0.000 1.772 356 F HA 0.029 nan 4.527 nan 0.000 0.237 356 F C 1.293 177.156 175.800 0.104 0.000 1.224 356 F CA 1.526 59.560 58.000 0.056 0.000 1.315 356 F CB 1.147 40.155 39.000 0.012 0.000 1.872 356 F HN -0.340 7.927 8.300 0.203 0.155 0.307 357 E N 0.661 120.952 120.200 0.152 0.000 2.085 357 E HA -0.273 nan 4.350 nan 0.000 0.194 357 E C 0.626 177.222 176.600 -0.007 0.000 0.994 357 E CA 3.026 59.457 56.400 0.052 0.000 0.801 357 E CB 0.017 29.790 29.700 0.120 0.000 0.743 357 E HN 0.264 8.820 8.360 0.326 0.000 0.453 358 D N -2.896 117.532 120.400 0.046 0.000 2.463 358 D HA 0.199 nan 4.640 nan 0.000 0.224 358 D C -1.324 175.022 176.300 0.077 0.000 1.174 358 D CA -0.231 53.792 54.000 0.039 0.000 0.829 358 D CB 0.063 40.892 40.800 0.047 0.000 0.993 358 D HN -0.154 8.167 8.370 0.086 0.101 0.497 359 F N 1.945 121.843 119.950 -0.088 0.000 2.410 359 F HA -0.040 nan 4.527 nan 0.000 0.348 359 F C -0.758 174.989 175.800 -0.088 0.000 1.106 359 F CA 0.178 58.134 58.000 -0.074 0.000 1.163 359 F CB 1.210 40.165 39.000 -0.075 0.000 1.129 359 F HN -0.840 7.364 8.300 0.120 0.168 0.516 360 D N 10.028 130.085 120.400 -0.572 0.000 2.453 360 D HA 0.040 nan 4.640 nan 0.000 0.223 360 D C 0.339 176.134 176.300 -0.841 0.000 1.183 360 D CA -1.313 52.370 54.000 -0.528 0.000 0.933 360 D CB -0.037 40.573 40.800 -0.317 0.000 1.038 360 D HN 0.307 8.400 8.370 -0.461 0.000 0.513 361 V N 5.165 124.671 119.914 -0.679 0.000 2.343 361 V HA -0.359 nan 4.120 nan 0.000 0.247 361 V C 0.712 176.634 176.094 -0.286 0.000 1.051 361 V CA 3.100 65.110 62.300 -0.484 0.000 1.036 361 V CB 0.320 32.036 31.823 -0.178 0.000 0.654 361 V HN -0.077 7.833 8.190 -0.466 0.000 0.451 362 D N -1.804 118.463 120.400 -0.221 0.000 2.194 362 D HA -0.153 nan 4.640 nan 0.000 0.204 362 D C 1.885 178.100 176.300 -0.141 0.000 0.964 362 D CA 3.336 57.251 54.000 -0.142 0.000 0.846 362 D CB -0.363 40.372 40.800 -0.109 0.000 0.962 362 D HN -0.181 8.142 8.370 -0.231 -0.092 0.490 363 A N -0.592 122.118 122.820 -0.184 0.000 1.929 363 A HA -0.107 nan 4.320 nan 0.000 0.216 363 A C 1.487 178.988 177.584 -0.139 0.000 1.176 363 A CA 2.578 54.528 52.037 -0.145 0.000 0.628 363 A CB -0.547 18.364 19.000 -0.148 0.000 0.816 363 A HN -0.692 7.523 8.150 -0.234 -0.204 0.444 364 A N -2.363 120.334 122.820 -0.205 0.000 1.930 364 A HA -0.229 nan 4.320 nan 0.000 0.217 364 A C 2.236 179.792 177.584 -0.047 0.000 1.175 364 A CA 2.481 54.456 52.037 -0.104 0.000 0.627 364 A CB -0.536 18.410 19.000 -0.090 0.000 0.815 364 A HN -0.260 7.688 8.150 -0.337 0.000 0.443 365 A N -1.091 121.691 122.820 -0.065 0.000 1.972 365 A HA -0.225 nan 4.320 nan 0.000 0.219 365 A C 1.296 178.855 177.584 -0.041 0.000 1.169 365 A CA 2.472 54.488 52.037 -0.036 0.000 0.635 365 A CB -0.472 18.503 19.000 -0.041 0.000 0.810 365 A HN 0.172 8.255 8.150 -0.112 0.000 0.446 366 A N -3.450 119.337 122.820 -0.054 0.000 2.208 366 A HA -0.055 nan 4.320 nan 0.000 0.209 366 A C 0.045 177.599 177.584 -0.050 0.000 1.161 366 A CA -0.159 51.848 52.037 -0.049 0.000 0.782 366 A CB 0.358 19.327 19.000 -0.052 0.000 0.816 366 A HN -0.473 7.509 8.150 -0.069 0.127 0.477 367 R N 0.499 120.968 120.500 -0.052 0.000 2.489 367 R HA -0.152 nan 4.340 nan 0.000 0.287 367 R C 0.330 176.581 176.300 -0.081 0.000 1.053 367 R CA 0.170 56.235 56.100 -0.058 0.000 1.036 367 R CB 0.314 30.583 30.300 -0.053 0.000 0.966 367 R HN -0.766 7.475 8.270 -0.049 0.000 0.432 368 G N 3.592 112.340 108.800 -0.087 0.000 2.467 368 G HA2 0.116 nan 3.960 nan 0.000 0.257 368 G HA3 0.116 nan 3.960 nan 0.000 0.257 368 G C 0.433 175.211 174.900 -0.203 0.000 1.227 368 G CA -0.954 44.075 45.100 -0.119 0.000 0.835 368 G HN 0.289 8.537 8.290 -0.070 0.000 0.556 369 M N 2.466 121.852 119.600 -0.356 0.000 2.541 369 M HA -0.040 nan 4.480 nan 0.000 0.252 369 M C 0.027 175.983 176.300 -0.572 0.000 1.125 369 M CA -1.121 53.767 55.300 -0.687 0.000 1.091 369 M CB -0.246 31.462 32.600 -1.486 0.000 1.420 369 M HN 0.311 8.407 8.290 -0.322 0.000 0.486 370 A N -3.252 119.405 122.820 -0.273 0.000 2.822 370 A HA -0.224 nan 4.320 nan 0.000 0.287 370 A C 0.311 177.954 177.584 0.098 0.000 1.479 370 A CA 0.804 52.803 52.037 -0.064 0.000 0.779 370 A CB -2.071 16.915 19.000 -0.023 0.000 1.022 370 A HN -0.114 7.846 8.150 -0.235 0.050 0.532 371 F N -1.389 118.584 119.950 0.039 0.000 2.293 371 F HA -0.130 nan 4.527 nan 0.000 0.297 371 F C 1.408 177.242 175.800 0.057 0.000 1.089 371 F CA 0.683 58.710 58.000 0.046 0.000 1.377 371 F CB -0.570 38.446 39.000 0.027 0.000 1.051 371 F HN 0.017 8.267 8.300 -0.053 0.018 0.511 372 E N -0.051 120.282 120.200 0.222 0.000 2.107 372 E HA -0.176 nan 4.350 nan 0.000 0.191 372 E C 2.478 179.159 176.600 0.135 0.000 0.982 372 E CA 3.031 59.521 56.400 0.150 0.000 0.809 372 E CB -0.862 28.899 29.700 0.103 0.000 0.756 372 E HN 0.404 8.874 8.360 0.183 0.000 0.459 373 R N -0.061 120.517 120.500 0.130 0.000 2.081 373 R HA -0.214 nan 4.340 nan 0.000 0.235 373 R C 2.178 178.577 176.300 0.165 0.000 1.131 373 R CA 2.853 59.025 56.100 0.120 0.000 0.960 373 R CB -0.689 29.668 30.300 0.096 0.000 0.856 373 R HN -0.057 8.288 8.270 0.124 0.000 0.436 374 L N -1.481 119.867 121.223 0.208 0.000 2.046 374 L HA -0.319 nan 4.340 nan 0.000 0.208 374 L C 1.470 178.522 176.870 0.304 0.000 1.077 374 L CA 3.209 58.212 54.840 0.272 0.000 0.747 374 L CB -0.322 41.914 42.059 0.295 0.000 0.896 374 L HN -0.691 7.665 8.230 0.210 0.000 0.432 375 D N -2.034 118.506 120.400 0.234 0.000 2.183 375 D HA -0.300 nan 4.640 nan 0.000 0.203 375 D C 2.110 178.502 176.300 0.154 0.000 0.969 375 D CA 3.319 57.444 54.000 0.209 0.000 0.842 375 D CB 0.133 41.022 40.800 0.149 0.000 0.957 375 D HN -0.266 8.232 8.370 0.213 0.000 0.484 376 Q N 0.231 120.109 119.800 0.130 0.000 2.172 376 Q HA -0.145 nan 4.340 nan 0.000 0.200 376 Q C 2.368 178.428 176.000 0.101 0.000 0.964 376 Q CA 2.264 58.117 55.803 0.083 0.000 0.855 376 Q CB -0.417 28.361 28.738 0.067 0.000 0.918 376 Q HN -0.096 8.257 8.270 0.139 0.000 0.444 377 L N -1.131 120.202 121.223 0.183 0.000 2.079 377 L HA -0.412 nan 4.340 nan 0.000 0.210 377 L C 1.843 178.925 176.870 0.353 0.000 1.081 377 L CA 3.026 58.029 54.840 0.271 0.000 0.752 377 L CB -0.634 41.650 42.059 0.374 0.000 0.896 377 L HN -0.053 8.297 8.230 0.200 0.000 0.433 378 A N -0.789 122.181 122.820 0.249 0.000 1.898 378 A HA -0.334 nan 4.320 nan 0.000 0.216 378 A C 1.849 179.236 177.584 -0.327 0.000 1.181 378 A CA 2.966 54.876 52.037 -0.213 0.000 0.620 378 A CB -0.763 18.104 19.000 -0.222 0.000 0.819 378 A HN -0.350 7.879 8.150 0.292 0.096 0.442 379 M N -1.496 118.000 119.600 -0.174 0.000 2.086 379 M HA -0.387 nan 4.480 nan 0.000 0.261 379 M C 1.686 177.879 176.300 -0.178 0.000 1.067 379 M CA 2.852 58.027 55.300 -0.208 0.000 1.116 379 M CB -0.181 32.362 32.600 -0.095 0.000 1.348 379 M HN 0.028 8.220 8.290 -0.047 0.069 0.407 380 D N -0.720 119.622 120.400 -0.096 0.000 2.144 380 D HA -0.302 nan 4.640 nan 0.000 0.199 380 D C 2.631 178.828 176.300 -0.172 0.000 0.984 380 D CA 3.563 57.489 54.000 -0.123 0.000 0.834 380 D CB -0.728 40.002 40.800 -0.117 0.000 0.955 380 D HN 0.040 8.387 8.370 -0.038 0.000 0.465 381 H N -0.334 118.704 119.070 -0.053 0.000 2.353 381 H HA -0.193 nan 4.556 nan 0.000 0.300 381 H C 2.965 178.208 175.328 -0.143 0.000 1.090 381 H CA 3.495 59.528 56.048 -0.025 0.000 1.327 381 H CB 0.298 30.134 29.762 0.123 0.000 1.383 381 H HN -0.303 7.996 8.280 0.032 0.000 0.508 382 L N 0.891 121.944 121.223 -0.283 0.000 2.046 382 L HA -0.211 nan 4.340 nan 0.000 0.208 382 L C 1.436 178.184 176.870 -0.204 0.000 1.077 382 L CA 2.896 57.496 54.840 -0.399 0.000 0.747 382 L CB -0.035 41.550 42.059 -0.791 0.000 0.896 382 L HN -0.345 7.642 8.230 -0.405 0.000 0.432 383 L N -5.565 115.552 121.223 -0.177 0.000 2.591 383 L HA -0.033 nan 4.340 nan 0.000 0.228 383 L C 0.696 177.522 176.870 -0.074 0.000 1.133 383 L CA -0.118 54.650 54.840 -0.120 0.000 0.880 383 L CB -0.485 41.505 42.059 -0.114 0.000 1.033 383 L HN -0.651 7.448 8.230 -0.198 0.012 0.450 384 G N -0.971 107.795 108.800 -0.057 0.000 2.249 384 G HA2 -0.349 nan 3.960 nan 0.000 0.273 384 G HA3 -0.349 nan 3.960 nan 0.000 0.273 384 G C -0.030 174.840 174.900 -0.050 0.000 1.036 384 G CA 0.542 45.627 45.100 -0.025 0.000 0.824 384 G HN -0.485 7.564 8.290 -0.064 0.203 0.504 385 A N -2.350 120.419 122.820 -0.084 0.000 2.476 385 A HA 0.021 nan 4.320 nan 0.000 0.263 385 A C -1.289 176.229 177.584 -0.110 0.000 1.342 385 A CA -0.428 51.561 52.037 -0.080 0.000 0.926 385 A CB 1.006 19.961 19.000 -0.076 0.000 1.019 385 A HN -0.047 8.012 8.150 -0.103 0.029 0.515 386 R N 0.000 120.412 120.500 -0.147 0.000 2.786 386 R HA 0.000 nan 4.340 nan 0.000 0.208 386 R CA 0.000 55.969 56.100 -0.219 0.000 0.921 386 R CB 0.000 30.059 30.300 -0.402 0.000 0.687 386 R HN 0.000 8.066 8.270 -0.115 0.135 0.535