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 2w0a_1_A DATA FIRST_RESID 3 DATA SEQUENCE AVALPRVSGG HDEHGHLEEF RTDPIGLMQR VRDELGDVGT FQLAGKQVVL DATA SEQUENCE LSGSHANEFF FRAGDDDLDQ AKAYPFMTPI FGEAVVFXXX XXXXXXXXXX DATA SEQUENCE XXXRGEQMKG HAATIEDQVR RMIADWGEAG EIDLLDFFAE LTIYTSSACL DATA SEQUENCE IGKKFRDQLD GRFAKLYHEL ERGTDPLAYV DPYLPIESFR RRDEARNGLV DATA SEQUENCE ALVADIMNGR IANPXXXXXD RDMLDVLIAV KAXXGTPRFS ADEITGMFIS DATA SEQUENCE MMFAGHHTSS GTASWTLIEL MRHRDAYAAV IDELDELYGD GRSVSFHALR DATA SEQUENCE QIPQLENVLK ETLRLHPPLI ILMRVAKGEF EVQGHRIHEG DLVAASPAIS DATA SEQUENCE NRIPEDFPDP HDFVPARYEQ PRQEDLLNRW TWIPFGAGRH RCVGAAFAIM DATA SEQUENCE QIKAIFSVLL REYEFEMAQP PESYRNDHSK MVVQLAQPAA VRYRRRTG 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.599 177.584 0.025 0.000 1.274 3 A CA 0.000 52.036 52.037 -0.002 0.000 0.836 3 A CB 0.000 18.997 19.000 -0.004 0.000 0.831 4 V N 2.408 122.354 119.914 0.053 0.000 2.485 4 V HA 0.480 4.599 4.120 -0.001 0.000 0.287 4 V C 1.009 177.149 176.094 0.076 0.000 1.022 4 V CA 0.188 62.524 62.300 0.060 0.000 1.067 4 V CB 0.365 32.229 31.823 0.067 0.000 0.967 4 V HN 0.780 nan 8.190 nan 0.000 0.479 5 A N 6.393 129.247 122.820 0.057 0.000 2.440 5 A HA 0.555 4.874 4.320 -0.001 0.000 0.251 5 A C 0.062 177.685 177.584 0.064 0.000 1.089 5 A CA -0.437 51.633 52.037 0.054 0.000 0.779 5 A CB 0.079 19.101 19.000 0.037 0.000 1.022 5 A HN 0.829 nan 8.150 nan 0.000 0.492 6 L N 2.999 124.253 121.223 0.051 0.000 2.473 6 L HA 0.244 4.583 4.340 -0.001 0.000 0.268 6 L C -1.597 175.262 176.870 -0.018 0.000 1.215 6 L CA -1.534 53.315 54.840 0.014 0.000 0.823 6 L CB 0.060 42.096 42.059 -0.039 0.000 1.099 6 L HN 0.523 nan 8.230 nan 0.000 0.483 7 P HA 0.080 nan 4.420 nan 0.000 0.265 7 P C -1.042 176.232 177.300 -0.044 0.000 1.193 7 P CA -0.174 62.898 63.100 -0.047 0.000 0.765 7 P CB 0.705 32.353 31.700 -0.088 0.000 0.823 8 R N 2.883 123.383 120.500 -0.000 0.000 2.534 8 R HA 0.457 4.796 4.340 -0.001 0.000 0.301 8 R C -1.109 175.213 176.300 0.037 0.000 0.961 8 R CA -1.097 55.017 56.100 0.024 0.000 0.871 8 R CB 0.928 31.267 30.300 0.065 0.000 1.170 8 R HN 0.275 nan 8.270 nan 0.000 0.446 9 V N 4.403 124.321 119.914 0.007 0.000 2.963 9 V HA 0.219 4.339 4.120 -0.001 0.000 0.306 9 V C 0.058 176.206 176.094 0.091 0.000 1.077 9 V CA 0.554 62.851 62.300 -0.005 0.000 1.124 9 V CB 1.037 32.793 31.823 -0.111 0.000 0.987 9 V HN 1.109 nan 8.190 nan 0.000 0.487 10 S N 5.012 120.756 115.700 0.073 0.000 2.572 10 S HA 0.527 4.996 4.470 -0.001 0.000 0.267 10 S C 0.652 175.308 174.600 0.093 0.000 1.361 10 S CA 0.146 58.397 58.200 0.084 0.000 1.009 10 S CB 0.493 63.727 63.200 0.057 0.000 0.888 10 S HN 2.629 nan 8.310 nan 0.000 0.553 11 G N 0.829 109.552 108.800 -0.128 0.000 2.542 11 G HA2 0.320 4.280 3.960 -0.001 0.000 0.235 11 G HA3 0.320 4.280 3.960 -0.001 0.000 0.235 11 G C 0.752 175.162 174.900 -0.816 0.000 1.286 11 G CA 0.392 45.232 45.100 -0.433 0.000 0.904 11 G HN 2.586 nan 8.290 nan 0.000 0.577 12 G N -2.017 106.357 108.800 -0.709 0.000 2.225 12 G HA2 -0.108 3.851 3.960 -0.001 0.000 0.264 12 G HA3 -0.108 3.851 3.960 -0.001 0.000 0.264 12 G C 0.516 175.091 174.900 -0.541 0.000 1.060 12 G CA 1.358 45.858 45.100 -1.000 0.000 0.833 12 G HN 1.675 nan 8.290 nan 0.000 0.498 13 H N 0.157 119.125 119.070 -0.171 0.000 2.529 13 H HA 0.153 4.708 4.556 -0.001 0.000 0.277 13 H C 0.941 176.220 175.328 -0.081 0.000 1.004 13 H CA 0.198 56.184 56.048 -0.104 0.000 1.167 13 H CB 0.404 30.129 29.762 -0.062 0.000 1.445 13 H HN 0.482 nan 8.280 nan 0.000 0.554 14 D N 0.783 121.174 120.400 -0.014 0.000 2.398 14 D HA -0.061 4.578 4.640 -0.001 0.000 0.247 14 D C 1.538 177.813 176.300 -0.042 0.000 1.227 14 D CA -0.162 53.829 54.000 -0.015 0.000 0.980 14 D CB 1.456 42.252 40.800 -0.008 0.000 1.106 14 D HN 0.245 nan 8.370 nan 0.000 0.493 15 E N -0.384 119.766 120.200 -0.083 0.000 2.097 15 E HA -0.242 4.108 4.350 -0.001 0.000 0.196 15 E C 0.448 176.887 176.600 -0.269 0.000 1.000 15 E CA 1.262 57.540 56.400 -0.203 0.000 0.804 15 E CB 0.117 29.639 29.700 -0.298 0.000 0.740 15 E HN 0.365 nan 8.360 nan 0.000 0.454 16 H N -0.604 118.476 119.070 0.017 0.000 2.503 16 H HA 0.241 4.797 4.556 -0.001 0.000 0.296 16 H C 0.936 176.273 175.328 0.016 0.000 1.097 16 H CA 0.464 56.529 56.048 0.029 0.000 1.055 16 H CB 0.367 30.160 29.762 0.053 0.000 1.580 16 H HN 0.403 nan 8.280 nan 0.000 0.546 17 G N 1.097 109.921 108.800 0.040 0.000 2.543 17 G HA2 -0.378 3.581 3.960 -0.001 0.000 0.286 17 G HA3 -0.378 3.581 3.960 -0.001 0.000 0.286 17 G C 0.603 175.419 174.900 -0.140 0.000 1.153 17 G CA 0.545 45.601 45.100 -0.073 0.000 0.968 17 G HN 0.577 nan 8.290 nan 0.000 0.544 18 H N 0.923 120.040 119.070 0.080 0.000 2.539 18 H HA 0.424 4.980 4.556 -0.001 0.000 0.267 18 H C 2.293 177.683 175.328 0.103 0.000 0.982 18 H CA 0.607 56.693 56.048 0.063 0.000 1.146 18 H CB 0.199 30.005 29.762 0.073 0.000 1.382 18 H HN 0.419 nan 8.280 nan 0.000 0.577 19 L N 0.629 121.986 121.223 0.224 0.000 2.046 19 L HA -0.210 4.129 4.340 -0.001 0.000 0.208 19 L C 1.567 178.571 176.870 0.223 0.000 1.077 19 L CA 1.653 56.641 54.840 0.247 0.000 0.747 19 L CB 0.108 42.292 42.059 0.208 0.000 0.896 19 L HN 0.199 nan 8.230 nan 0.000 0.432 20 E N 0.250 120.544 120.200 0.156 0.000 2.051 20 E HA -0.291 4.059 4.350 -0.001 0.000 0.192 20 E C 2.033 178.685 176.600 0.087 0.000 0.991 20 E CA 1.690 58.153 56.400 0.105 0.000 0.799 20 E CB -0.195 29.549 29.700 0.073 0.000 0.748 20 E HN 0.574 nan 8.360 nan 0.000 0.449 21 E N -0.411 119.844 120.200 0.093 0.000 2.077 21 E HA -0.205 4.144 4.350 -0.001 0.000 0.193 21 E C 1.709 178.358 176.600 0.082 0.000 0.989 21 E CA 0.771 57.211 56.400 0.067 0.000 0.800 21 E CB -0.156 29.582 29.700 0.063 0.000 0.746 21 E HN 0.244 nan 8.360 nan 0.000 0.452 22 F N 1.568 121.481 119.950 -0.062 0.000 2.269 22 F HA -0.076 4.450 4.527 -0.001 0.000 0.301 22 F C 1.991 177.769 175.800 -0.037 0.000 1.082 22 F CA 1.281 59.222 58.000 -0.099 0.000 1.360 22 F CB 0.060 39.023 39.000 -0.063 0.000 1.041 22 F HN -0.092 nan 8.300 nan 0.000 0.512 23 R N -1.036 119.471 120.500 0.012 0.000 2.275 23 R HA 0.003 4.343 4.340 -0.001 0.000 0.199 23 R C 1.818 178.077 176.300 -0.068 0.000 0.989 23 R CA 1.385 57.444 56.100 -0.068 0.000 1.016 23 R CB -0.235 30.067 30.300 0.004 0.000 0.918 23 R HN 0.446 nan 8.270 nan 0.000 0.473 24 T N -3.737 110.790 114.554 -0.045 0.000 3.019 24 T HA 0.024 4.373 4.350 -0.001 0.000 0.247 24 T C 0.378 175.060 174.700 -0.029 0.000 0.992 24 T CA 0.100 62.184 62.100 -0.025 0.000 1.036 24 T CB 0.529 69.393 68.868 -0.006 0.000 1.063 24 T HN -0.040 nan 8.240 nan 0.000 0.476 25 D N 2.058 122.426 120.400 -0.054 0.000 2.846 25 D HA 0.329 4.968 4.640 -0.001 0.000 0.279 25 D C -2.040 174.189 176.300 -0.119 0.000 1.222 25 D CA -1.808 52.149 54.000 -0.071 0.000 0.769 25 D CB 1.390 42.163 40.800 -0.045 0.000 1.299 25 D HN 0.049 nan 8.370 nan 0.000 0.537 26 P HA -0.082 nan 4.420 nan 0.000 0.218 26 P C 1.780 178.980 177.300 -0.166 0.000 1.149 26 P CA 0.586 63.570 63.100 -0.193 0.000 0.817 26 P CB 0.733 32.171 31.700 -0.437 0.000 0.785 27 I N -0.011 120.415 120.570 -0.240 0.000 2.202 27 I HA -0.129 4.040 4.170 -0.001 0.000 0.242 27 I C 2.735 178.771 176.117 -0.134 0.000 1.091 27 I CA 1.722 62.900 61.300 -0.204 0.000 1.368 27 I CB -1.328 36.505 38.000 -0.278 0.000 1.058 27 I HN -0.007 nan 8.210 nan 0.000 0.410 28 G N 1.227 109.956 108.800 -0.118 0.000 2.442 28 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.219 28 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.219 28 G C 1.657 176.500 174.900 -0.095 0.000 1.141 28 G CA 0.655 45.704 45.100 -0.085 0.000 0.763 28 G HN 0.247 nan 8.290 nan 0.000 0.554 29 L N 0.489 121.636 121.223 -0.126 0.000 1.989 29 L HA 0.023 4.362 4.340 -0.001 0.000 0.211 29 L C 2.848 179.584 176.870 -0.223 0.000 1.071 29 L CA 1.859 56.584 54.840 -0.192 0.000 0.749 29 L CB -0.458 41.441 42.059 -0.266 0.000 0.890 29 L HN 0.255 nan 8.230 nan 0.000 0.431 30 M N -1.393 118.089 119.600 -0.197 0.000 2.159 30 M HA -0.207 4.272 4.480 -0.001 0.000 0.263 30 M C 2.298 178.554 176.300 -0.073 0.000 1.063 30 M CA 1.694 56.914 55.300 -0.132 0.000 1.110 30 M CB -0.358 32.199 32.600 -0.071 0.000 1.374 30 M HN 0.338 nan 8.290 nan 0.000 0.411 31 Q N 0.730 120.491 119.800 -0.065 0.000 2.124 31 Q HA -0.152 4.187 4.340 -0.001 0.000 0.202 31 Q C 1.923 177.904 176.000 -0.031 0.000 0.977 31 Q CA 1.750 57.533 55.803 -0.032 0.000 0.850 31 Q CB -0.210 28.514 28.738 -0.023 0.000 0.901 31 Q HN 0.352 nan 8.270 nan 0.000 0.429 32 R N -1.016 119.453 120.500 -0.051 0.000 2.092 32 R HA -0.081 4.258 4.340 -0.001 0.000 0.231 32 R C 2.003 178.278 176.300 -0.042 0.000 1.119 32 R CA 1.245 57.320 56.100 -0.042 0.000 0.970 32 R CB -0.179 30.091 30.300 -0.050 0.000 0.864 32 R HN 0.210 nan 8.270 nan 0.000 0.440 33 V N 1.016 120.893 119.914 -0.061 0.000 2.282 33 V HA -0.314 3.805 4.120 -0.001 0.000 0.249 33 V C 2.528 178.610 176.094 -0.020 0.000 1.057 33 V CA 2.372 64.647 62.300 -0.041 0.000 1.032 33 V CB -0.609 31.203 31.823 -0.019 0.000 0.645 33 V HN 0.417 nan 8.190 nan 0.000 0.447 34 R N -0.199 120.294 120.500 -0.012 0.000 2.075 34 R HA -0.155 4.184 4.340 -0.001 0.000 0.232 34 R C 2.047 178.352 176.300 0.008 0.000 1.126 34 R CA 1.842 57.944 56.100 0.002 0.000 0.963 34 R CB -0.312 29.995 30.300 0.012 0.000 0.858 34 R HN 0.517 nan 8.270 nan 0.000 0.435 35 D N 0.368 120.772 120.400 0.005 0.000 2.117 35 D HA -0.147 4.492 4.640 -0.001 0.000 0.197 35 D C 1.611 177.918 176.300 0.010 0.000 0.987 35 D CA 1.369 55.376 54.000 0.011 0.000 0.829 35 D CB -0.041 40.765 40.800 0.010 0.000 0.961 35 D HN 0.441 nan 8.370 nan 0.000 0.460 36 E N -0.412 119.791 120.200 0.004 0.000 2.122 36 E HA 0.053 4.402 4.350 -0.001 0.000 0.190 36 E C 1.950 178.556 176.600 0.009 0.000 0.977 36 E CA 0.460 56.865 56.400 0.008 0.000 0.820 36 E CB 0.294 29.997 29.700 0.005 0.000 0.770 36 E HN 0.249 nan 8.360 nan 0.000 0.462 37 L N -1.202 120.021 121.223 0.000 0.000 2.642 37 L HA 0.311 4.650 4.340 -0.001 0.000 0.233 37 L C 1.208 178.080 176.870 0.004 0.000 1.077 37 L CA 0.197 55.034 54.840 -0.006 0.000 0.879 37 L CB 0.426 42.462 42.059 -0.038 0.000 1.151 37 L HN 0.220 nan 8.230 nan 0.000 0.495 38 G N 0.940 109.746 108.800 0.009 0.000 2.481 38 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.230 38 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.230 38 G C -0.106 174.806 174.900 0.020 0.000 1.210 38 G CA 0.135 45.249 45.100 0.024 0.000 0.936 38 G HN 0.098 nan 8.290 nan 0.000 0.583 39 D N -0.145 120.280 120.400 0.041 0.000 2.269 39 D HA 0.222 4.861 4.640 -0.001 0.000 0.208 39 D C 1.032 177.342 176.300 0.018 0.000 0.963 39 D CA 1.597 55.626 54.000 0.049 0.000 0.864 39 D CB 0.252 41.109 40.800 0.094 0.000 0.936 39 D HN 0.477 nan 8.370 nan 0.000 0.505 40 V N -0.029 119.869 119.914 -0.027 0.000 2.482 40 V HA 0.743 4.862 4.120 -0.001 0.000 0.295 40 V C 0.345 176.313 176.094 -0.209 0.000 1.026 40 V CA -0.753 61.478 62.300 -0.115 0.000 0.856 40 V CB 1.862 33.605 31.823 -0.132 0.000 1.001 40 V HN 0.081 nan 8.190 nan 0.000 0.424 41 G N 2.247 110.958 108.800 -0.147 0.000 2.692 41 G HA2 0.778 4.737 3.960 -0.001 0.000 0.291 41 G HA3 0.778 4.737 3.960 -0.001 0.000 0.291 41 G C -0.740 174.095 174.900 -0.108 0.000 1.423 41 G CA -0.114 44.906 45.100 -0.134 0.000 0.843 41 G HN 0.764 nan 8.290 nan 0.000 0.486 42 T N -1.724 112.770 114.554 -0.099 0.000 2.924 42 T HA 0.838 5.187 4.350 -0.001 0.000 0.291 42 T C -0.647 174.009 174.700 -0.073 0.000 1.045 42 T CA -0.785 61.235 62.100 -0.134 0.000 1.015 42 T CB 1.728 70.514 68.868 -0.137 0.000 1.103 42 T HN 1.335 nan 8.240 nan 0.000 0.496 43 F N -0.910 118.904 119.950 -0.226 0.000 2.613 43 F HA 0.684 5.210 4.527 -0.001 0.000 0.314 43 F C -0.584 175.164 175.800 -0.087 0.000 1.075 43 F CA -1.377 56.429 58.000 -0.324 0.000 0.945 43 F CB 1.973 40.600 39.000 -0.621 0.000 1.310 43 F HN 0.756 nan 8.300 nan 0.000 0.467 44 Q N 2.257 122.308 119.800 0.418 0.000 2.314 44 Q HA 0.468 4.807 4.340 -0.001 0.000 0.259 44 Q C -1.977 174.130 176.000 0.180 0.000 0.951 44 Q CA -0.858 55.053 55.803 0.180 0.000 0.909 44 Q CB 1.600 30.444 28.738 0.177 0.000 1.236 44 Q HN 0.845 nan 8.270 nan 0.000 0.444 45 L N 4.984 126.189 121.223 -0.029 0.000 2.313 45 L HA 0.442 4.782 4.340 -0.001 0.000 0.273 45 L C 0.391 177.258 176.870 -0.004 0.000 1.028 45 L CA 0.970 55.794 54.840 -0.027 0.000 0.871 45 L CB 0.032 41.938 42.059 -0.255 0.000 1.242 45 L HN 0.965 nan 8.230 nan 0.000 0.434 46 A N 3.888 126.758 122.820 0.084 0.000 5.391 46 A HA -0.289 4.030 4.320 -0.001 0.000 0.315 46 A C 1.411 179.048 177.584 0.089 0.000 1.874 46 A CA 1.286 53.396 52.037 0.122 0.000 0.714 46 A CB -1.806 17.179 19.000 -0.026 0.000 1.335 46 A HN 1.072 nan 8.150 nan 0.000 0.382 47 G N -0.507 108.333 108.800 0.065 0.000 3.124 47 G HA2 0.377 4.336 3.960 -0.001 0.000 0.212 47 G HA3 0.377 4.336 3.960 -0.001 0.000 0.212 47 G C 0.406 175.308 174.900 0.003 0.000 1.181 47 G CA 0.984 46.111 45.100 0.045 0.000 0.803 47 G HN 0.571 nan 8.290 nan 0.000 0.529 48 K N 0.453 120.832 120.400 -0.035 0.000 2.324 48 K HA 0.292 4.612 4.320 -0.001 0.000 0.253 48 K C -0.788 175.721 176.600 -0.151 0.000 0.932 48 K CA -0.594 55.639 56.287 -0.090 0.000 0.799 48 K CB 2.466 34.886 32.500 -0.133 0.000 1.154 48 K HN 0.226 nan 8.250 nan 0.000 0.425 49 Q N 1.991 121.700 119.800 -0.152 0.000 2.267 49 Q HA 0.287 4.626 4.340 -0.001 0.000 0.255 49 Q C -1.027 174.770 176.000 -0.337 0.000 0.923 49 Q CA -0.516 55.162 55.803 -0.208 0.000 0.925 49 Q CB 1.109 29.775 28.738 -0.119 0.000 1.195 49 Q HN 0.254 nan 8.270 nan 0.000 0.417 50 V N 5.038 124.596 119.914 -0.593 0.000 2.370 50 V HA 0.260 4.379 4.120 -0.001 0.000 0.283 50 V C -0.432 175.327 176.094 -0.559 0.000 1.023 50 V CA -0.762 61.099 62.300 -0.731 0.000 0.857 50 V CB 1.649 32.612 31.823 -1.434 0.000 0.985 50 V HN 0.619 nan 8.190 nan 0.000 0.443 51 V N 6.674 126.404 119.914 -0.306 0.000 2.353 51 V HA 0.268 4.387 4.120 -0.001 0.000 0.264 51 V C -0.069 175.935 176.094 -0.151 0.000 1.049 51 V CA -0.324 61.863 62.300 -0.188 0.000 0.896 51 V CB 1.116 32.885 31.823 -0.090 0.000 1.025 51 V HN 0.636 nan 8.190 nan 0.000 0.475 52 L N 7.617 128.761 121.223 -0.131 0.000 2.260 52 L HA 0.510 4.849 4.340 -0.001 0.000 0.289 52 L C -0.325 176.508 176.870 -0.063 0.000 1.057 52 L CA 0.397 55.198 54.840 -0.064 0.000 0.811 52 L CB 0.636 42.731 42.059 0.060 0.000 1.184 52 L HN 0.465 nan 8.230 nan 0.000 0.429 53 L N 4.856 126.023 121.223 -0.092 0.000 2.343 53 L HA 0.774 5.114 4.340 -0.001 0.000 0.275 53 L C 0.142 176.974 176.870 -0.062 0.000 1.056 53 L CA -0.409 54.392 54.840 -0.064 0.000 0.804 53 L CB 1.622 43.652 42.059 -0.048 0.000 1.203 53 L HN 0.815 nan 8.230 nan 0.000 0.440 54 S N 0.271 115.971 115.700 -0.000 0.000 2.596 54 S HA 0.907 5.376 4.470 -0.001 0.000 0.270 54 S C -0.395 174.254 174.600 0.082 0.000 1.155 54 S CA -0.273 57.948 58.200 0.035 0.000 0.827 54 S CB 1.787 65.007 63.200 0.032 0.000 1.130 54 S HN 1.336 nan 8.310 nan 0.000 0.467 55 G N 0.741 109.613 108.800 0.120 0.000 2.730 55 G HA2 -0.005 3.954 3.960 -0.001 0.000 0.686 55 G HA3 -0.005 3.954 3.960 -0.001 0.000 0.686 55 G C 0.549 175.563 174.900 0.191 0.000 1.343 55 G CA 0.192 45.379 45.100 0.145 0.000 0.826 55 G HN 1.703 nan 8.290 nan 0.000 0.582 56 S N -0.686 115.142 115.700 0.213 0.000 2.353 56 S HA -0.228 4.241 4.470 -0.001 0.000 0.222 56 S C 1.966 176.682 174.600 0.193 0.000 1.035 56 S CA 2.464 60.832 58.200 0.280 0.000 1.025 56 S CB -0.405 62.967 63.200 0.286 0.000 0.902 56 S HN 1.350 nan 8.310 nan 0.000 0.440 57 H N 0.784 119.901 119.070 0.079 0.000 2.321 57 H HA 0.130 4.685 4.556 -0.001 0.000 0.300 57 H C 2.075 177.417 175.328 0.023 0.000 1.087 57 H CA 1.979 58.038 56.048 0.019 0.000 1.319 57 H CB -0.725 29.052 29.762 0.024 0.000 1.379 57 H HN 0.390 nan 8.280 nan 0.000 0.501 58 A N 0.399 123.205 122.820 -0.023 0.000 1.930 58 A HA -0.168 4.152 4.320 -0.001 0.000 0.217 58 A C 2.215 179.826 177.584 0.045 0.000 1.175 58 A CA 1.522 53.538 52.037 -0.034 0.000 0.627 58 A CB -0.399 18.630 19.000 0.050 0.000 0.815 58 A HN 0.530 nan 8.150 nan 0.000 0.443 59 N N -0.098 118.656 118.700 0.090 0.000 2.166 59 N HA -0.161 4.579 4.740 -0.001 0.000 0.186 59 N C 1.683 177.297 175.510 0.173 0.000 1.019 59 N CA 1.480 54.654 53.050 0.206 0.000 0.856 59 N CB -0.379 38.364 38.487 0.426 0.000 0.993 59 N HN 0.772 nan 8.380 nan 0.000 0.426 60 E N -0.188 119.892 120.200 -0.200 0.000 2.085 60 E HA -0.209 4.140 4.350 -0.001 0.000 0.194 60 E C 1.821 178.139 176.600 -0.469 0.000 0.994 60 E CA 0.821 56.696 56.400 -0.875 0.000 0.801 60 E CB -0.227 28.711 29.700 -1.270 0.000 0.743 60 E HN 0.332 nan 8.360 nan 0.000 0.453 61 F N 0.658 120.371 119.950 -0.395 0.000 2.095 61 F HA -0.238 4.288 4.527 -0.001 0.000 0.298 61 F C 1.942 177.615 175.800 -0.210 0.000 1.104 61 F CA 1.880 59.700 58.000 -0.299 0.000 1.232 61 F CB -0.686 38.140 39.000 -0.290 0.000 0.987 61 F HN 0.142 nan 8.300 nan 0.000 0.475 62 F N -0.112 119.531 119.950 -0.511 0.000 2.102 62 F HA -0.198 4.328 4.527 -0.001 0.000 0.298 62 F C 1.798 177.273 175.800 -0.541 0.000 1.105 62 F CA 1.877 59.485 58.000 -0.654 0.000 1.239 62 F CB -0.693 37.976 39.000 -0.552 0.000 0.991 62 F HN -0.021 nan 8.300 nan 0.000 0.474 63 F N 0.266 120.237 119.950 0.035 0.000 2.512 63 F HA 0.125 4.651 4.527 -0.001 0.000 0.296 63 F C 2.188 177.992 175.800 0.007 0.000 1.110 63 F CA 0.755 58.842 58.000 0.145 0.000 1.446 63 F CB -0.499 38.770 39.000 0.447 0.000 1.092 63 F HN -0.170 nan 8.300 nan 0.000 0.554 64 R N 0.131 120.608 120.500 -0.038 0.000 2.297 64 R HA 0.281 4.620 4.340 -0.001 0.000 0.197 64 R C 0.797 176.978 176.300 -0.199 0.000 0.943 64 R CA 0.243 56.290 56.100 -0.088 0.000 1.038 64 R CB -0.168 30.044 30.300 -0.146 0.000 0.957 64 R HN 0.072 nan 8.270 nan 0.000 0.484 65 A N 1.456 124.045 122.820 -0.385 0.000 2.488 65 A HA 0.382 4.702 4.320 -0.001 0.000 0.249 65 A C 0.629 178.083 177.584 -0.216 0.000 1.083 65 A CA 0.070 51.843 52.037 -0.441 0.000 0.768 65 A CB 0.267 18.790 19.000 -0.794 0.000 1.017 65 A HN 0.301 nan 8.150 nan 0.000 0.496 66 G N 1.182 109.891 108.800 -0.152 0.000 2.599 66 G HA2 0.368 4.327 3.960 -0.001 0.000 0.264 66 G HA3 0.368 4.327 3.960 -0.001 0.000 0.264 66 G C 0.029 174.908 174.900 -0.035 0.000 1.200 66 G CA -0.138 44.917 45.100 -0.075 0.000 0.896 66 G HN 0.678 nan 8.290 nan 0.000 0.536 67 D N -0.478 119.929 120.400 0.010 0.000 2.309 67 D HA -0.040 4.599 4.640 -0.001 0.000 0.212 67 D C 1.536 177.853 176.300 0.027 0.000 0.968 67 D CA 0.729 54.751 54.000 0.037 0.000 0.882 67 D CB 0.247 41.081 40.800 0.055 0.000 0.918 67 D HN 0.288 nan 8.370 nan 0.000 0.503 68 D N 0.107 120.524 120.400 0.027 0.000 2.183 68 D HA -0.088 4.551 4.640 -0.001 0.000 0.203 68 D C 1.311 177.671 176.300 0.100 0.000 0.969 68 D CA 0.879 54.912 54.000 0.055 0.000 0.842 68 D CB 0.029 40.862 40.800 0.055 0.000 0.957 68 D HN 0.204 nan 8.370 nan 0.000 0.484 69 D N -0.489 119.952 120.400 0.068 0.000 2.269 69 D HA 0.105 4.744 4.640 -0.001 0.000 0.220 69 D C 0.535 176.843 176.300 0.012 0.000 0.962 69 D CA 0.379 54.461 54.000 0.136 0.000 0.884 69 D CB 0.804 41.502 40.800 -0.171 0.000 1.023 69 D HN 0.149 nan 8.370 nan 0.000 0.484 70 L N 1.427 122.568 121.223 -0.138 0.000 2.372 70 L HA 0.294 4.633 4.340 -0.001 0.000 0.274 70 L C -0.773 176.033 176.870 -0.106 0.000 0.988 70 L CA -0.788 53.948 54.840 -0.172 0.000 0.833 70 L CB 2.452 44.258 42.059 -0.422 0.000 1.236 70 L HN -0.205 nan 8.230 nan 0.000 0.410 71 D N 2.661 123.041 120.400 -0.033 0.000 2.317 71 D HA 0.091 4.730 4.640 -0.001 0.000 0.234 71 D C 0.516 176.831 176.300 0.027 0.000 1.112 71 D CA 0.043 54.050 54.000 0.012 0.000 0.840 71 D CB 1.865 42.690 40.800 0.041 0.000 1.078 71 D HN 0.578 nan 8.370 nan 0.000 0.486 72 Q N 3.387 123.210 119.800 0.037 0.000 1.994 72 Q HA -0.115 4.224 4.340 -0.001 0.000 0.198 72 Q C 1.670 177.834 176.000 0.273 0.000 0.976 72 Q CA 1.298 57.170 55.803 0.114 0.000 0.828 72 Q CB 0.021 28.781 28.738 0.036 0.000 0.894 72 Q HN 0.575 nan 8.270 nan 0.000 0.432 73 A N 1.182 124.147 122.820 0.242 0.000 1.978 73 A HA -0.190 4.130 4.320 -0.001 0.000 0.220 73 A C 1.899 179.679 177.584 0.328 0.000 1.170 73 A CA 1.590 53.840 52.037 0.356 0.000 0.636 73 A CB -0.398 18.794 19.000 0.320 0.000 0.810 73 A HN 0.340 nan 8.150 nan 0.000 0.448 74 K N -0.409 120.101 120.400 0.182 0.000 2.362 74 K HA 0.028 4.347 4.320 -0.001 0.000 0.200 74 K C 1.747 178.419 176.600 0.121 0.000 1.046 74 K CA 0.799 57.158 56.287 0.120 0.000 0.952 74 K CB -0.188 32.354 32.500 0.070 0.000 0.753 74 K HN 0.453 nan 8.250 nan 0.000 0.466 75 A N 0.078 122.970 122.820 0.120 0.000 2.238 75 A HA -0.011 4.308 4.320 -0.001 0.000 0.208 75 A C 0.212 177.666 177.584 -0.217 0.000 1.177 75 A CA 0.430 52.453 52.037 -0.023 0.000 0.804 75 A CB -0.060 18.866 19.000 -0.123 0.000 0.823 75 A HN 0.243 nan 8.150 nan 0.000 0.482 76 Y N -0.502 119.827 120.300 0.048 0.000 2.578 76 Y HA 0.232 4.781 4.550 -0.001 0.000 0.317 76 Y C -1.577 174.081 175.900 -0.404 0.000 0.940 76 Y CA -1.791 56.099 58.100 -0.348 0.000 1.174 76 Y CB 0.765 38.961 38.460 -0.440 0.000 1.198 76 Y HN 0.245 nan 8.280 nan 0.000 0.597 77 P HA -0.192 nan 4.420 nan 0.000 0.223 77 P C 1.362 178.595 177.300 -0.112 0.000 1.151 77 P CA 1.205 64.307 63.100 0.003 0.000 0.787 77 P CB -0.180 31.539 31.700 0.032 0.000 0.788 78 F N -2.068 117.758 119.950 -0.207 0.000 2.641 78 F HA 0.097 4.623 4.527 -0.001 0.000 0.298 78 F C 1.709 177.286 175.800 -0.370 0.000 1.146 78 F CA 0.462 58.253 58.000 -0.348 0.000 1.464 78 F CB -1.329 37.406 39.000 -0.441 0.000 1.101 78 F HN -0.284 nan 8.300 nan 0.000 0.585 79 M N 0.445 119.593 119.600 -0.753 0.000 2.558 79 M HA -0.008 4.471 4.480 -0.001 0.000 0.255 79 M C 1.743 177.665 176.300 -0.631 0.000 1.113 79 M CA 0.695 55.427 55.300 -0.946 0.000 1.097 79 M CB -1.460 30.262 32.600 -1.463 0.000 1.426 79 M HN 0.194 nan 8.290 nan 0.000 0.488 80 T N 1.973 116.438 114.554 -0.149 0.000 2.708 80 T HA -0.057 4.292 4.350 -0.001 0.000 0.266 80 T C -0.821 173.872 174.700 -0.012 0.000 1.037 80 T CA 1.402 63.559 62.100 0.096 0.000 1.146 80 T CB -1.138 67.814 68.868 0.140 0.000 0.865 80 T HN 0.260 nan 8.240 nan 0.000 0.435 81 P HA 0.175 nan 4.420 nan 0.000 0.233 81 P C 1.208 178.428 177.300 -0.134 0.000 1.167 81 P CA 0.665 63.718 63.100 -0.080 0.000 0.770 81 P CB -0.142 31.441 31.700 -0.195 0.000 0.837 82 I N -1.844 118.562 120.570 -0.273 0.000 2.385 82 I HA -0.110 4.059 4.170 -0.001 0.000 0.244 82 I C 2.128 178.157 176.117 -0.146 0.000 1.089 82 I CA 0.992 62.102 61.300 -0.317 0.000 1.410 82 I CB -0.486 37.156 38.000 -0.596 0.000 1.117 82 I HN -0.214 nan 8.210 nan 0.000 0.429 83 F N 1.411 121.262 119.950 -0.166 0.000 2.146 83 F HA 0.180 4.706 4.527 -0.001 0.000 0.298 83 F C 1.492 177.279 175.800 -0.021 0.000 1.096 83 F CA 0.793 58.740 58.000 -0.088 0.000 1.275 83 F CB -1.296 37.660 39.000 -0.074 0.000 1.008 83 F HN 0.182 nan 8.300 nan 0.000 0.480 84 G N -1.010 107.898 108.800 0.180 0.000 2.541 84 G HA2 0.151 4.111 3.960 -0.001 0.000 0.686 84 G HA3 0.151 4.111 3.960 -0.001 0.000 0.686 84 G C 0.550 175.526 174.900 0.127 0.000 1.286 84 G CA 0.200 45.371 45.100 0.118 0.000 0.894 84 G HN 0.372 nan 8.290 nan 0.000 0.575 85 E N -0.719 119.530 120.200 0.081 0.000 2.065 85 E HA 0.055 4.405 4.350 -0.001 0.000 0.201 85 E C 2.764 179.398 176.600 0.056 0.000 1.016 85 E CA 3.389 59.825 56.400 0.059 0.000 0.818 85 E CB -0.578 29.143 29.700 0.035 0.000 0.749 85 E HN 2.337 nan 8.360 nan 0.000 0.453 86 A N -0.728 122.124 122.820 0.054 0.000 2.275 86 A HA 0.573 4.892 4.320 -0.001 0.000 0.212 86 A C 1.500 179.107 177.584 0.039 0.000 1.201 86 A CA 0.702 52.765 52.037 0.042 0.000 0.843 86 A CB -0.413 18.615 19.000 0.046 0.000 0.873 86 A HN 1.162 nan 8.150 nan 0.000 0.492 87 V N 0.420 120.377 119.914 0.072 0.000 2.338 87 V HA 0.594 4.713 4.120 -0.001 0.000 0.255 87 V C 0.380 176.558 176.094 0.140 0.000 1.082 87 V CA 0.314 62.659 62.300 0.074 0.000 0.951 87 V CB 0.186 32.044 31.823 0.058 0.000 1.102 87 V HN 0.540 nan 8.190 nan 0.000 0.489 88 V N 6.490 126.431 119.914 0.046 0.000 2.162 88 V HA 0.598 4.718 4.120 -0.001 0.000 0.255 88 V C 0.168 176.233 176.094 -0.048 0.000 1.304 88 V CA -0.536 61.737 62.300 -0.044 0.000 1.198 88 V CB -0.907 30.885 31.823 -0.051 0.000 1.333 88 V HN 0.843 nan 8.190 nan 0.000 0.493 107 G N 1.758 110.559 108.800 0.003 0.000 2.442 107 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.219 107 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.219 107 G C 0.766 175.654 174.900 -0.021 0.000 1.141 107 G CA 1.156 46.252 45.100 -0.005 0.000 0.763 107 G HN 0.747 nan 8.290 nan 0.000 0.554 108 E N 0.090 120.274 120.200 -0.027 0.000 2.265 108 E HA -0.146 4.204 4.350 -0.001 0.000 0.196 108 E C 1.928 178.484 176.600 -0.073 0.000 0.996 108 E CA 0.892 57.268 56.400 -0.040 0.000 0.832 108 E CB -0.278 29.402 29.700 -0.033 0.000 0.756 108 E HN 0.530 nan 8.360 nan 0.000 0.491 109 Q N -0.726 119.015 119.800 -0.099 0.000 2.356 109 Q HA 0.145 4.484 4.340 -0.001 0.000 0.205 109 Q C 1.943 177.754 176.000 -0.315 0.000 0.901 109 Q CA -0.029 55.627 55.803 -0.245 0.000 0.938 109 Q CB 0.287 28.852 28.738 -0.290 0.000 1.081 109 Q HN 0.314 nan 8.270 nan 0.000 0.517 110 M N 0.582 120.127 119.600 -0.093 0.000 2.175 110 M HA -0.144 4.335 4.480 -0.001 0.000 0.264 110 M C 2.058 178.359 176.300 0.002 0.000 1.063 110 M CA 1.424 56.739 55.300 0.025 0.000 1.119 110 M CB -0.688 31.947 32.600 0.058 0.000 1.377 110 M HN 0.085 nan 8.290 nan 0.000 0.415 111 K N 0.113 120.493 120.400 -0.034 0.000 2.063 111 K HA -0.135 4.184 4.320 -0.001 0.000 0.208 111 K C 1.970 178.565 176.600 -0.010 0.000 1.048 111 K CA 1.712 57.990 56.287 -0.014 0.000 0.928 111 K CB -0.363 32.128 32.500 -0.015 0.000 0.713 111 K HN 0.362 nan 8.250 nan 0.000 0.442 112 G N 0.190 108.948 108.800 -0.069 0.000 2.422 112 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.218 112 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.218 112 G C 1.167 176.083 174.900 0.027 0.000 1.146 112 G CA 0.805 45.870 45.100 -0.058 0.000 0.769 112 G HN 0.346 nan 8.290 nan 0.000 0.547 113 H N 0.784 119.893 119.070 0.065 0.000 2.389 113 H HA 0.112 4.668 4.556 -0.001 0.000 0.299 113 H C 2.863 178.213 175.328 0.037 0.000 1.081 113 H CA 0.906 57.012 56.048 0.097 0.000 1.345 113 H CB -0.571 29.322 29.762 0.219 0.000 1.393 113 H HN 0.378 nan 8.280 nan 0.000 0.520 114 A N 1.005 123.901 122.820 0.126 0.000 1.902 114 A HA -0.073 4.246 4.320 -0.001 0.000 0.217 114 A C 2.675 180.294 177.584 0.060 0.000 1.181 114 A CA 1.718 53.788 52.037 0.054 0.000 0.623 114 A CB -0.798 18.227 19.000 0.042 0.000 0.818 114 A HN 0.426 nan 8.150 nan 0.000 0.443 115 A N -1.104 121.755 122.820 0.066 0.000 1.933 115 A HA -0.070 4.250 4.320 -0.001 0.000 0.218 115 A C 2.295 179.908 177.584 0.049 0.000 1.175 115 A CA 2.241 54.312 52.037 0.055 0.000 0.628 115 A CB -1.211 17.817 19.000 0.047 0.000 0.814 115 A HN 0.417 nan 8.150 nan 0.000 0.444 116 T N 0.374 114.972 114.554 0.073 0.000 2.708 116 T HA -0.104 4.245 4.350 -0.001 0.000 0.266 116 T C 1.784 176.509 174.700 0.041 0.000 1.037 116 T CA 1.596 63.738 62.100 0.069 0.000 1.146 116 T CB -0.418 68.528 68.868 0.130 0.000 0.865 116 T HN 0.435 nan 8.240 nan 0.000 0.435 117 I N 0.907 121.502 120.570 0.040 0.000 2.179 117 I HA -0.172 3.997 4.170 -0.001 0.000 0.242 117 I C 2.729 178.840 176.117 -0.010 0.000 1.088 117 I CA 1.403 62.704 61.300 0.002 0.000 1.357 117 I CB -0.387 37.590 38.000 -0.039 0.000 1.051 117 I HN 0.348 nan 8.210 nan 0.000 0.409 118 E N 1.108 121.309 120.200 0.002 0.000 2.070 118 E HA -0.340 4.009 4.350 -0.001 0.000 0.197 118 E C 1.771 178.356 176.600 -0.024 0.000 1.004 118 E CA 2.095 58.491 56.400 -0.006 0.000 0.805 118 E CB -0.080 29.631 29.700 0.018 0.000 0.744 118 E HN 0.417 nan 8.360 nan 0.000 0.451 119 D N -0.402 119.988 120.400 -0.017 0.000 2.144 119 D HA -0.176 4.464 4.640 -0.001 0.000 0.199 119 D C 2.015 178.280 176.300 -0.058 0.000 0.984 119 D CA 1.114 55.093 54.000 -0.034 0.000 0.834 119 D CB 0.051 40.836 40.800 -0.025 0.000 0.955 119 D HN 0.162 nan 8.370 nan 0.000 0.465 120 Q N -0.133 119.639 119.800 -0.048 0.000 2.123 120 Q HA -0.044 4.295 4.340 -0.001 0.000 0.199 120 Q C 2.491 178.444 176.000 -0.079 0.000 0.966 120 Q CA 0.585 56.352 55.803 -0.060 0.000 0.845 120 Q CB -0.389 28.343 28.738 -0.010 0.000 0.907 120 Q HN 0.305 nan 8.270 nan 0.000 0.439 121 V N 1.299 121.167 119.914 -0.078 0.000 2.307 121 V HA -0.230 3.889 4.120 -0.001 0.000 0.245 121 V C 2.397 178.406 176.094 -0.143 0.000 1.045 121 V CA 1.656 63.892 62.300 -0.107 0.000 1.024 121 V CB -0.530 31.241 31.823 -0.086 0.000 0.651 121 V HN 0.307 nan 8.190 nan 0.000 0.449 122 R N -0.127 120.303 120.500 -0.116 0.000 2.105 122 R HA -0.207 4.133 4.340 -0.001 0.000 0.239 122 R C 2.514 178.729 176.300 -0.141 0.000 1.135 122 R CA 1.824 57.849 56.100 -0.124 0.000 0.967 122 R CB -0.448 29.802 30.300 -0.083 0.000 0.861 122 R HN 0.446 nan 8.270 nan 0.000 0.442 123 R N 0.342 120.764 120.500 -0.129 0.000 2.075 123 R HA -0.063 4.276 4.340 -0.001 0.000 0.232 123 R C 2.182 178.395 176.300 -0.146 0.000 1.126 123 R CA 1.205 57.224 56.100 -0.135 0.000 0.963 123 R CB 0.018 30.224 30.300 -0.156 0.000 0.858 123 R HN 0.089 nan 8.270 nan 0.000 0.435 124 M N 0.835 120.342 119.600 -0.155 0.000 2.296 124 M HA -0.098 4.382 4.480 -0.001 0.000 0.265 124 M C 2.006 178.171 176.300 -0.226 0.000 1.064 124 M CA 1.306 56.529 55.300 -0.130 0.000 1.109 124 M CB -0.240 32.246 32.600 -0.190 0.000 1.396 124 M HN 0.344 nan 8.290 nan 0.000 0.430 125 I N -3.771 116.513 120.570 -0.476 0.000 3.956 125 I HA 0.262 4.431 4.170 -0.001 0.000 0.333 125 I C 1.927 177.774 176.117 -0.450 0.000 1.302 125 I CA 0.140 60.803 61.300 -1.063 0.000 1.122 125 I CB -0.505 36.660 38.000 -1.391 0.000 1.013 125 I HN -0.049 nan 8.210 nan 0.000 0.405 126 A N 2.571 125.268 122.820 -0.204 0.000 1.978 126 A HA -0.243 4.076 4.320 -0.001 0.000 0.220 126 A C 1.757 179.355 177.584 0.024 0.000 1.170 126 A CA 2.176 54.174 52.037 -0.066 0.000 0.636 126 A CB -0.638 18.328 19.000 -0.057 0.000 0.810 126 A HN 0.730 nan 8.150 nan 0.000 0.448 127 D N -2.970 117.472 120.400 0.069 0.000 2.368 127 D HA -0.012 4.627 4.640 -0.001 0.000 0.218 127 D C 0.979 177.449 176.300 0.283 0.000 1.112 127 D CA -0.359 53.732 54.000 0.152 0.000 0.834 127 D CB -0.512 40.366 40.800 0.129 0.000 0.953 127 D HN 0.473 nan 8.370 nan 0.000 0.505 128 W N 2.178 123.459 121.300 -0.033 0.000 2.388 128 W HA 0.245 4.904 4.660 -0.002 0.000 0.294 128 W C 1.836 178.445 176.519 0.150 0.000 1.212 128 W CA 1.428 58.723 57.345 -0.084 0.000 1.271 128 W CB -0.744 28.335 29.460 -0.636 0.000 1.126 128 W HN 0.305 nan 8.180 nan 0.000 0.535 129 G N 0.082 109.111 108.800 0.383 0.000 2.601 129 G HA2 -0.432 3.527 3.960 -0.001 0.000 0.252 129 G HA3 -0.432 3.527 3.960 -0.001 0.000 0.252 129 G C 0.886 176.035 174.900 0.415 0.000 1.294 129 G CA 0.474 45.761 45.100 0.312 0.000 0.912 129 G HN 0.293 nan 8.290 nan 0.000 0.574 130 E N 0.090 120.448 120.200 0.264 0.000 2.107 130 E HA 0.347 4.697 4.350 -0.001 0.000 0.191 130 E C 1.098 177.868 176.600 0.283 0.000 0.982 130 E CA 1.595 58.132 56.400 0.228 0.000 0.809 130 E CB -0.115 29.642 29.700 0.096 0.000 0.756 130 E HN 1.660 nan 8.360 nan 0.000 0.459 131 A N -0.960 121.957 122.820 0.163 0.000 2.608 131 A HA 0.665 4.984 4.320 -0.001 0.000 0.292 131 A C -0.298 176.919 177.584 -0.612 0.000 1.066 131 A CA -0.271 51.646 52.037 -0.200 0.000 0.676 131 A CB 1.486 20.385 19.000 -0.169 0.000 1.277 131 A HN 0.288 nan 8.150 nan 0.000 0.413 132 G N -0.547 107.435 108.800 -1.364 0.000 2.325 132 G HA2 0.529 4.489 3.960 -0.001 0.000 0.295 132 G HA3 0.529 4.489 3.960 -0.001 0.000 0.295 132 G C -1.679 172.541 174.900 -1.133 0.000 1.274 132 G CA 0.150 44.584 45.100 -1.110 0.000 0.857 132 G HN 0.975 nan 8.290 nan 0.000 0.499 133 E N -0.665 119.165 120.200 -0.617 0.000 2.292 133 E HA 0.639 4.989 4.350 -0.001 0.000 0.272 133 E C -0.652 175.804 176.600 -0.240 0.000 0.881 133 E CA -0.931 55.246 56.400 -0.371 0.000 0.754 133 E CB 2.045 31.603 29.700 -0.236 0.000 1.201 133 E HN 0.764 nan 8.360 nan 0.000 0.425 134 I N -0.153 120.303 120.570 -0.191 0.000 2.957 134 I HA 0.587 4.756 4.170 -0.001 0.000 0.310 134 I C -0.761 175.316 176.117 -0.066 0.000 1.063 134 I CA -0.945 60.268 61.300 -0.145 0.000 1.033 134 I CB 2.075 39.917 38.000 -0.263 0.000 1.230 134 I HN 0.380 nan 8.210 nan 0.000 0.447 135 D N 3.652 124.041 120.400 -0.018 0.000 2.233 135 D HA 0.312 4.951 4.640 -0.001 0.000 0.240 135 D C 0.740 177.068 176.300 0.047 0.000 1.074 135 D CA -0.439 53.567 54.000 0.011 0.000 0.838 135 D CB 2.037 42.840 40.800 0.005 0.000 1.124 135 D HN 0.720 nan 8.370 nan 0.000 0.475 136 L N 3.521 124.780 121.223 0.061 0.000 2.083 136 L HA -0.175 4.164 4.340 -0.001 0.000 0.209 136 L C 2.366 179.347 176.870 0.184 0.000 1.083 136 L CA 0.622 55.543 54.840 0.135 0.000 0.752 136 L CB -0.299 41.846 42.059 0.142 0.000 0.899 136 L HN 0.471 nan 8.230 nan 0.000 0.433 137 L N 0.036 121.314 121.223 0.092 0.000 1.994 137 L HA -0.216 4.123 4.340 -0.001 0.000 0.208 137 L C 2.087 178.982 176.870 0.041 0.000 1.071 137 L CA 1.922 56.803 54.840 0.068 0.000 0.745 137 L CB -0.673 41.395 42.059 0.015 0.000 0.892 137 L HN 0.165 nan 8.230 nan 0.000 0.431 138 D N -0.777 119.633 120.400 0.018 0.000 2.116 138 D HA -0.267 4.372 4.640 -0.001 0.000 0.193 138 D C 2.002 178.323 176.300 0.035 0.000 0.998 138 D CA 1.850 55.853 54.000 0.005 0.000 0.836 138 D CB -0.394 40.419 40.800 0.022 0.000 0.951 138 D HN 0.426 nan 8.370 nan 0.000 0.449 139 F N 0.242 120.137 119.950 -0.090 0.000 2.060 139 F HA -0.138 4.388 4.527 -0.001 0.000 0.295 139 F C 2.095 177.768 175.800 -0.212 0.000 1.120 139 F CA 1.222 59.114 58.000 -0.180 0.000 1.205 139 F CB -0.376 38.442 39.000 -0.304 0.000 0.986 139 F HN -0.179 nan 8.300 nan 0.000 0.470 140 F N 0.459 120.415 119.950 0.009 0.000 2.259 140 F HA 0.049 4.575 4.527 -0.001 0.000 0.298 140 F C 2.514 178.218 175.800 -0.159 0.000 1.088 140 F CA 0.897 58.819 58.000 -0.130 0.000 1.358 140 F CB -1.452 37.544 39.000 -0.007 0.000 1.040 140 F HN 0.078 nan 8.300 nan 0.000 0.505 141 A N -0.227 122.636 122.820 0.071 0.000 1.883 141 A HA -0.252 4.068 4.320 -0.001 0.000 0.217 141 A C 2.230 179.855 177.584 0.068 0.000 1.186 141 A CA 2.003 54.093 52.037 0.087 0.000 0.624 141 A CB -0.861 18.199 19.000 0.099 0.000 0.822 141 A HN 0.422 nan 8.150 nan 0.000 0.444 142 E N -0.709 119.418 120.200 -0.123 0.000 2.047 142 E HA -0.173 4.176 4.350 -0.001 0.000 0.191 142 E C 1.945 178.240 176.600 -0.509 0.000 0.987 142 E CA 1.161 57.366 56.400 -0.325 0.000 0.799 142 E CB -0.208 29.338 29.700 -0.257 0.000 0.752 142 E HN 0.408 nan 8.360 nan 0.000 0.449 143 L N 0.995 121.971 121.223 -0.412 0.000 2.043 143 L HA -0.183 4.156 4.340 -0.001 0.000 0.212 143 L C 2.183 178.958 176.870 -0.157 0.000 1.075 143 L CA 2.224 56.872 54.840 -0.320 0.000 0.752 143 L CB -0.827 40.941 42.059 -0.485 0.000 0.891 143 L HN 0.111 nan 8.230 nan 0.000 0.432 144 T N -0.214 114.295 114.554 -0.076 0.000 3.023 144 T HA 0.021 4.370 4.350 -0.001 0.000 0.266 144 T C 1.943 176.677 174.700 0.057 0.000 1.093 144 T CA 0.698 62.821 62.100 0.038 0.000 1.129 144 T CB -0.093 68.801 68.868 0.043 0.000 0.899 144 T HN 0.166 nan 8.240 nan 0.000 0.491 145 I N 0.669 121.167 120.570 -0.120 0.000 2.252 145 I HA -0.092 4.077 4.170 -0.001 0.000 0.245 145 I C 2.000 177.972 176.117 -0.242 0.000 1.102 145 I CA 1.520 62.625 61.300 -0.326 0.000 1.385 145 I CB -0.893 36.825 38.000 -0.471 0.000 1.064 145 I HN 0.266 nan 8.210 nan 0.000 0.414 146 Y N 1.351 121.582 120.300 -0.115 0.000 2.220 146 Y HA -0.172 4.377 4.550 -0.001 0.000 0.291 146 Y C 2.959 178.803 175.900 -0.092 0.000 1.129 146 Y CA 1.489 59.509 58.100 -0.134 0.000 1.161 146 Y CB -1.673 36.706 38.460 -0.135 0.000 0.997 146 Y HN 0.294 nan 8.280 nan 0.000 0.522 147 T N -3.130 111.478 114.554 0.089 0.000 2.708 147 T HA -0.165 4.185 4.350 -0.001 0.000 0.266 147 T C 2.138 176.880 174.700 0.071 0.000 1.037 147 T CA 1.688 63.832 62.100 0.074 0.000 1.146 147 T CB -0.850 68.057 68.868 0.064 0.000 0.865 147 T HN 0.191 nan 8.240 nan 0.000 0.435 148 S N 2.040 117.765 115.700 0.043 0.000 2.355 148 S HA -0.103 4.366 4.470 -0.001 0.000 0.222 148 S C 2.615 177.164 174.600 -0.084 0.000 1.031 148 S CA 1.516 59.707 58.200 -0.015 0.000 0.993 148 S CB -0.622 62.557 63.200 -0.034 0.000 0.859 148 S HN 0.875 nan 8.310 nan 0.000 0.453 149 S N 2.408 118.057 115.700 -0.085 0.000 2.368 149 S HA 0.003 4.472 4.470 -0.001 0.000 0.225 149 S C 2.057 176.631 174.600 -0.042 0.000 1.030 149 S CA 0.950 59.102 58.200 -0.081 0.000 0.999 149 S CB -0.648 62.505 63.200 -0.078 0.000 0.844 149 S HN 0.494 nan 8.310 nan 0.000 0.459 150 A N 0.798 123.610 122.820 -0.014 0.000 1.898 150 A HA -0.021 4.298 4.320 -0.001 0.000 0.216 150 A C 2.498 180.080 177.584 -0.003 0.000 1.181 150 A CA 1.447 53.486 52.037 0.003 0.000 0.620 150 A CB -1.422 17.589 19.000 0.018 0.000 0.819 150 A HN 0.705 nan 8.150 nan 0.000 0.442 151 C N -1.238 118.037 119.300 -0.042 0.000 2.466 151 C HA 0.065 4.524 4.460 -0.001 0.000 0.278 151 C C 2.434 177.305 174.990 -0.199 0.000 1.288 151 C CA 0.805 59.725 59.018 -0.164 0.000 1.722 151 C CB -1.133 26.382 27.740 -0.374 0.000 2.017 151 C HN 0.527 nan 8.230 nan 0.000 0.488 152 L N -0.262 120.831 121.223 -0.217 0.000 2.249 152 L HA 0.202 4.541 4.340 -0.001 0.000 0.207 152 L C 1.948 178.691 176.870 -0.212 0.000 1.090 152 L CA 1.626 56.331 54.840 -0.224 0.000 0.802 152 L CB -0.543 41.368 42.059 -0.245 0.000 0.947 152 L HN 0.298 nan 8.230 nan 0.000 0.453 153 I N -2.131 118.287 120.570 -0.253 0.000 3.443 153 I HA 0.451 4.620 4.170 -0.001 0.000 0.277 153 I C 0.686 176.690 176.117 -0.189 0.000 1.169 153 I CA 0.457 61.527 61.300 -0.383 0.000 1.419 153 I CB 0.519 38.026 38.000 -0.822 0.000 1.331 153 I HN 0.208 nan 8.210 nan 0.000 0.458 154 G N 0.787 109.542 108.800 -0.076 0.000 2.318 154 G HA2 0.024 3.984 3.960 -0.001 0.000 0.302 154 G HA3 0.024 3.984 3.960 -0.001 0.000 0.302 154 G C -0.291 174.632 174.900 0.039 0.000 1.633 154 G CA -0.689 44.412 45.100 0.002 0.000 0.965 154 G HN -0.051 nan 8.290 nan 0.000 0.698 155 K N 0.252 120.669 120.400 0.028 0.000 2.063 155 K HA -0.135 4.184 4.320 -0.001 0.000 0.208 155 K C 2.455 179.057 176.600 0.003 0.000 1.048 155 K CA 1.620 57.912 56.287 0.008 0.000 0.928 155 K CB 0.022 32.524 32.500 0.004 0.000 0.713 155 K HN 0.479 nan 8.250 nan 0.000 0.442 156 K N 0.561 120.979 120.400 0.029 0.000 2.063 156 K HA -0.204 4.115 4.320 -0.001 0.000 0.208 156 K C 2.050 178.681 176.600 0.053 0.000 1.048 156 K CA 1.464 57.771 56.287 0.033 0.000 0.928 156 K CB -0.175 32.358 32.500 0.055 0.000 0.713 156 K HN 0.062 nan 8.250 nan 0.000 0.442 157 F N 1.989 121.896 119.950 -0.073 0.000 2.113 157 F HA -0.128 4.398 4.527 -0.001 0.000 0.297 157 F C 2.502 178.226 175.800 -0.127 0.000 1.103 157 F CA 1.324 59.267 58.000 -0.094 0.000 1.248 157 F CB -0.285 38.621 39.000 -0.158 0.000 0.999 157 F HN -0.051 nan 8.300 nan 0.000 0.475 158 R N 0.849 121.273 120.500 -0.126 0.000 2.091 158 R HA -0.191 4.148 4.340 -0.001 0.000 0.238 158 R C 1.481 177.612 176.300 -0.280 0.000 1.136 158 R CA 2.145 58.101 56.100 -0.239 0.000 0.959 158 R CB -1.107 29.130 30.300 -0.104 0.000 0.856 158 R HN 0.275 nan 8.270 nan 0.000 0.437 159 D N 0.758 121.037 120.400 -0.202 0.000 2.309 159 D HA -0.118 4.522 4.640 -0.001 0.000 0.212 159 D C 1.239 177.427 176.300 -0.187 0.000 0.968 159 D CA 0.905 54.794 54.000 -0.186 0.000 0.882 159 D CB 0.004 40.734 40.800 -0.117 0.000 0.918 159 D HN 0.482 nan 8.370 nan 0.000 0.503 160 Q N -0.318 119.341 119.800 -0.235 0.000 2.280 160 Q HA 0.198 4.537 4.340 -0.001 0.000 0.201 160 Q C 0.285 176.132 176.000 -0.255 0.000 0.890 160 Q CA 0.023 55.700 55.803 -0.210 0.000 0.947 160 Q CB 0.935 29.567 28.738 -0.176 0.000 1.081 160 Q HN 0.247 nan 8.270 nan 0.000 0.502 161 L N 1.292 122.327 121.223 -0.313 0.000 2.344 161 L HA 0.374 4.713 4.340 -0.001 0.000 0.272 161 L C -0.247 176.601 176.870 -0.037 0.000 1.035 161 L CA -0.696 54.023 54.840 -0.203 0.000 0.807 161 L CB 1.038 42.920 42.059 -0.296 0.000 1.237 161 L HN 0.098 nan 8.230 nan 0.000 0.442 162 D N -0.245 120.215 120.400 0.099 0.000 2.958 162 D HA 0.255 4.894 4.640 -0.001 0.000 0.306 162 D C 0.910 177.358 176.300 0.246 0.000 1.226 162 D CA -0.226 53.871 54.000 0.161 0.000 1.032 162 D CB 0.523 41.366 40.800 0.071 0.000 1.400 162 D HN 0.416 nan 8.370 nan 0.000 0.587 163 G N -0.904 108.011 108.800 0.193 0.000 2.470 163 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.220 163 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.220 163 G C 1.264 176.235 174.900 0.119 0.000 1.121 163 G CA 0.532 45.717 45.100 0.141 0.000 0.766 163 G HN 0.332 nan 8.290 nan 0.000 0.553 164 R N -0.930 119.647 120.500 0.129 0.000 2.096 164 R HA -0.019 4.320 4.340 -0.001 0.000 0.235 164 R C 2.193 178.581 176.300 0.146 0.000 1.127 164 R CA 1.131 57.300 56.100 0.114 0.000 0.968 164 R CB -0.476 29.886 30.300 0.104 0.000 0.861 164 R HN 0.405 nan 8.270 nan 0.000 0.440 165 F N 1.432 121.410 119.950 0.046 0.000 2.134 165 F HA -0.142 4.384 4.527 -0.001 0.000 0.299 165 F C 2.292 178.123 175.800 0.051 0.000 1.097 165 F CA 1.318 59.354 58.000 0.059 0.000 1.264 165 F CB -0.330 38.691 39.000 0.035 0.000 1.001 165 F HN -0.011 nan 8.300 nan 0.000 0.479 166 A N 0.372 123.329 122.820 0.228 0.000 1.902 166 A HA -0.174 4.145 4.320 -0.001 0.000 0.217 166 A C 2.278 179.931 177.584 0.115 0.000 1.181 166 A CA 1.543 53.640 52.037 0.101 0.000 0.623 166 A CB -0.577 18.397 19.000 -0.044 0.000 0.818 166 A HN 0.245 nan 8.150 nan 0.000 0.443 167 K N -0.130 120.322 120.400 0.086 0.000 2.063 167 K HA -0.084 4.236 4.320 -0.001 0.000 0.208 167 K C 1.900 178.560 176.600 0.100 0.000 1.048 167 K CA 1.300 57.638 56.287 0.084 0.000 0.928 167 K CB -0.732 31.802 32.500 0.058 0.000 0.713 167 K HN 0.565 nan 8.250 nan 0.000 0.442 168 L N -0.903 120.345 121.223 0.041 0.000 2.072 168 L HA -0.152 4.188 4.340 -0.001 0.000 0.205 168 L C 2.471 179.330 176.870 -0.018 0.000 1.079 168 L CA 1.000 55.830 54.840 -0.016 0.000 0.752 168 L CB -0.461 41.534 42.059 -0.107 0.000 0.906 168 L HN 0.074 nan 8.230 nan 0.000 0.436 169 Y N -0.264 119.955 120.300 -0.136 0.000 2.224 169 Y HA -0.327 4.223 4.550 -0.001 0.000 0.289 169 Y C 2.801 178.720 175.900 0.032 0.000 1.146 169 Y CA 1.892 59.933 58.100 -0.099 0.000 1.182 169 Y CB -0.106 38.259 38.460 -0.158 0.000 0.983 169 Y HN 0.212 nan 8.280 nan 0.000 0.524 170 H N -0.002 119.158 119.070 0.150 0.000 2.353 170 H HA -0.134 4.422 4.556 -0.001 0.000 0.300 170 H C 2.029 177.389 175.328 0.053 0.000 1.090 170 H CA 2.095 58.220 56.048 0.128 0.000 1.327 170 H CB 0.076 29.907 29.762 0.114 0.000 1.383 170 H HN 0.228 nan 8.280 nan 0.000 0.508 171 E N 0.038 120.272 120.200 0.057 0.000 2.110 171 E HA -0.141 4.208 4.350 -0.001 0.000 0.193 171 E C 2.317 178.877 176.600 -0.066 0.000 0.988 171 E CA 0.619 57.009 56.400 -0.017 0.000 0.804 171 E CB -0.363 29.348 29.700 0.018 0.000 0.745 171 E HN 0.385 nan 8.360 nan 0.000 0.458 172 L N 1.629 122.794 121.223 -0.097 0.000 2.017 172 L HA -0.173 4.166 4.340 -0.001 0.000 0.208 172 L C 2.010 178.847 176.870 -0.054 0.000 1.073 172 L CA 1.788 56.557 54.840 -0.118 0.000 0.745 172 L CB -0.379 41.523 42.059 -0.262 0.000 0.894 172 L HN 0.051 nan 8.230 nan 0.000 0.432 173 E N -1.097 119.068 120.200 -0.059 0.000 2.153 173 E HA -0.192 4.157 4.350 -0.001 0.000 0.194 173 E C 2.134 178.683 176.600 -0.085 0.000 0.988 173 E CA 0.707 57.101 56.400 -0.010 0.000 0.811 173 E CB -0.117 29.526 29.700 -0.094 0.000 0.746 173 E HN 0.388 nan 8.360 nan 0.000 0.466 174 R N 0.179 120.577 120.500 -0.171 0.000 2.285 174 R HA -0.033 4.307 4.340 -0.001 0.000 0.213 174 R C 1.681 177.957 176.300 -0.041 0.000 1.068 174 R CA 0.708 56.724 56.100 -0.140 0.000 1.004 174 R CB -0.073 30.128 30.300 -0.165 0.000 0.873 174 R HN 0.082 nan 8.270 nan 0.000 0.467 175 G N 0.922 109.720 108.800 -0.004 0.000 3.332 175 G HA2 -0.072 3.887 3.960 -0.001 0.000 0.242 175 G HA3 -0.072 3.887 3.960 -0.001 0.000 0.242 175 G C 0.588 175.538 174.900 0.084 0.000 1.276 175 G CA 0.182 45.330 45.100 0.080 0.000 0.988 175 G HN 0.272 nan 8.290 nan 0.000 0.517 176 T N -2.961 111.607 114.554 0.022 0.000 3.331 176 T HA 0.192 4.542 4.350 -0.001 0.000 0.282 176 T C 0.014 174.607 174.700 -0.179 0.000 1.010 176 T CA -0.648 61.384 62.100 -0.114 0.000 0.928 176 T CB 0.553 69.374 68.868 -0.078 0.000 1.154 176 T HN 0.083 nan 8.240 nan 0.000 0.516 177 D N 2.758 123.148 120.400 -0.016 0.000 2.525 177 D HA 0.034 4.673 4.640 -0.001 0.000 0.235 177 D C -1.504 174.744 176.300 -0.087 0.000 1.137 177 D CA -1.233 52.727 54.000 -0.067 0.000 0.868 177 D CB 1.602 42.327 40.800 -0.125 0.000 1.180 177 D HN 0.070 nan 8.370 nan 0.000 0.465 178 P HA -0.063 nan 4.420 nan 0.000 0.231 178 P C 1.375 178.777 177.300 0.170 0.000 1.158 178 P CA 0.180 63.343 63.100 0.106 0.000 0.763 178 P CB 0.225 32.105 31.700 0.300 0.000 0.805 179 L N -0.413 120.863 121.223 0.089 0.000 2.261 179 L HA -0.125 4.214 4.340 -0.001 0.000 0.216 179 L C 2.294 179.259 176.870 0.159 0.000 1.114 179 L CA 1.354 56.244 54.840 0.083 0.000 0.777 179 L CB -1.612 40.440 42.059 -0.011 0.000 0.910 179 L HN -0.045 nan 8.230 nan 0.000 0.440 180 A N -1.821 121.108 122.820 0.182 0.000 2.076 180 A HA -0.238 4.082 4.320 -0.001 0.000 0.220 180 A C 2.049 179.579 177.584 -0.090 0.000 1.160 180 A CA 1.279 53.318 52.037 0.003 0.000 0.653 180 A CB -0.851 18.003 19.000 -0.244 0.000 0.801 180 A HN 0.487 nan 8.150 nan 0.000 0.455 181 Y N -1.021 119.299 120.300 0.033 0.000 2.439 181 Y HA -0.107 4.442 4.550 -0.001 0.000 0.292 181 Y C 2.401 178.303 175.900 0.004 0.000 1.130 181 Y CA 1.085 59.210 58.100 0.041 0.000 1.254 181 Y CB -0.051 38.431 38.460 0.036 0.000 1.000 181 Y HN 0.150 nan 8.280 nan 0.000 0.554 182 V N -0.850 119.121 119.914 0.095 0.000 2.255 182 V HA -0.142 3.977 4.120 -0.001 0.000 0.243 182 V C 0.254 176.383 176.094 0.058 0.000 1.038 182 V CA 1.620 63.923 62.300 0.006 0.000 1.008 182 V CB -0.082 31.656 31.823 -0.141 0.000 0.645 182 V HN 0.245 nan 8.190 nan 0.000 0.449 183 D N -2.159 118.285 120.400 0.074 0.000 2.804 183 D HA 0.223 4.862 4.640 -0.001 0.000 0.209 183 D C -2.661 173.640 176.300 0.000 0.000 1.314 183 D CA -1.126 52.922 54.000 0.080 0.000 0.894 183 D CB 2.251 43.134 40.800 0.138 0.000 1.615 183 D HN -0.031 nan 8.370 nan 0.000 0.571 184 P HA 0.095 nan 4.420 nan 0.000 0.242 184 P C 0.031 176.614 177.300 -1.195 0.000 1.197 184 P CA 0.704 63.257 63.100 -0.912 0.000 0.765 184 P CB -0.082 31.013 31.700 -1.009 0.000 0.936 185 Y N -1.908 118.317 120.300 -0.124 0.000 2.641 185 Y HA 0.256 4.805 4.550 -0.001 0.000 0.248 185 Y C 0.900 176.902 175.900 0.170 0.000 1.170 185 Y CA -0.754 57.342 58.100 -0.006 0.000 1.201 185 Y CB -0.358 38.088 38.460 -0.023 0.000 1.232 185 Y HN -0.220 nan 8.280 nan 0.000 0.537 186 L N 4.351 125.809 121.223 0.391 0.000 2.543 186 L HA 0.005 4.345 4.340 -0.001 0.000 0.285 186 L C -1.736 175.293 176.870 0.264 0.000 1.236 186 L CA -1.233 53.788 54.840 0.303 0.000 0.871 186 L CB 0.368 42.571 42.059 0.241 0.000 1.121 186 L HN 0.001 nan 8.230 nan 0.000 0.501 187 P HA 0.136 nan 4.420 nan 0.000 0.230 187 P C -0.623 176.696 177.300 0.032 0.000 1.791 187 P CA 0.125 63.284 63.100 0.098 0.000 1.020 187 P CB -0.567 31.176 31.700 0.072 0.000 1.977 188 I N -2.769 117.791 120.570 -0.016 0.000 2.750 188 I HA 0.487 4.657 4.170 -0.001 0.000 0.308 188 I C 1.419 177.481 176.117 -0.091 0.000 1.016 188 I CA -1.213 60.010 61.300 -0.127 0.000 1.098 188 I CB 1.958 39.760 38.000 -0.331 0.000 1.279 188 I HN -0.235 nan 8.210 nan 0.000 0.454 189 E N 2.240 122.388 120.200 -0.086 0.000 2.110 189 E HA -0.188 4.161 4.350 -0.001 0.000 0.193 189 E C 1.924 178.505 176.600 -0.031 0.000 0.988 189 E CA 2.328 58.705 56.400 -0.038 0.000 0.804 189 E CB -0.037 29.642 29.700 -0.035 0.000 0.745 189 E HN 0.839 nan 8.360 nan 0.000 0.458 190 S N -0.642 114.998 115.700 -0.100 0.000 2.402 190 S HA -0.100 4.369 4.470 -0.001 0.000 0.229 190 S C 1.790 176.460 174.600 0.117 0.000 1.021 190 S CA 0.745 58.918 58.200 -0.046 0.000 0.974 190 S CB -0.471 62.658 63.200 -0.118 0.000 0.800 190 S HN 0.179 nan 8.310 nan 0.000 0.484 191 F N 2.204 122.126 119.950 -0.047 0.000 2.234 191 F HA 0.309 4.835 4.527 -0.001 0.000 0.296 191 F C 2.678 178.463 175.800 -0.024 0.000 1.089 191 F CA 0.104 58.072 58.000 -0.052 0.000 1.343 191 F CB -1.012 37.954 39.000 -0.057 0.000 1.040 191 F HN 0.231 nan 8.300 nan 0.000 0.498 192 R N 0.701 121.309 120.500 0.180 0.000 2.081 192 R HA -0.139 4.200 4.340 -0.001 0.000 0.235 192 R C 2.280 178.624 176.300 0.073 0.000 1.131 192 R CA 1.420 57.583 56.100 0.106 0.000 0.960 192 R CB -0.106 30.236 30.300 0.071 0.000 0.856 192 R HN 0.173 nan 8.270 nan 0.000 0.436 193 R N -0.215 120.322 120.500 0.062 0.000 2.115 193 R HA -0.078 4.261 4.340 -0.001 0.000 0.230 193 R C 2.483 178.802 176.300 0.032 0.000 1.111 193 R CA 1.186 57.309 56.100 0.040 0.000 0.976 193 R CB -0.313 30.005 30.300 0.029 0.000 0.870 193 R HN 0.235 nan 8.270 nan 0.000 0.445 194 R N 1.134 121.662 120.500 0.047 0.000 2.073 194 R HA -0.161 4.178 4.340 -0.001 0.000 0.234 194 R C 1.008 177.305 176.300 -0.005 0.000 1.134 194 R CA 2.041 58.148 56.100 0.011 0.000 0.952 194 R CB -0.107 30.205 30.300 0.020 0.000 0.850 194 R HN 0.114 nan 8.270 nan 0.000 0.433 195 D N 0.410 120.822 120.400 0.020 0.000 2.144 195 D HA -0.125 4.514 4.640 -0.001 0.000 0.200 195 D C 1.889 178.199 176.300 0.016 0.000 0.978 195 D CA 0.952 54.964 54.000 0.020 0.000 0.833 195 D CB -0.124 40.705 40.800 0.049 0.000 0.961 195 D HN 0.283 nan 8.370 nan 0.000 0.470 196 E N 0.699 120.912 120.200 0.022 0.000 2.106 196 E HA -0.071 4.278 4.350 -0.001 0.000 0.192 196 E C 2.079 178.682 176.600 0.004 0.000 0.984 196 E CA 0.665 57.076 56.400 0.017 0.000 0.806 196 E CB -0.166 29.547 29.700 0.023 0.000 0.750 196 E HN 0.195 nan 8.360 nan 0.000 0.458 197 A N 1.533 124.350 122.820 -0.006 0.000 1.902 197 A HA -0.194 4.125 4.320 -0.001 0.000 0.217 197 A C 2.226 179.782 177.584 -0.046 0.000 1.181 197 A CA 1.579 53.600 52.037 -0.027 0.000 0.623 197 A CB -0.471 18.506 19.000 -0.038 0.000 0.818 197 A HN 0.100 nan 8.150 nan 0.000 0.443 198 R N -0.243 120.232 120.500 -0.042 0.000 2.073 198 R HA -0.155 4.184 4.340 -0.001 0.000 0.234 198 R C 1.823 178.117 176.300 -0.011 0.000 1.134 198 R CA 1.639 57.717 56.100 -0.038 0.000 0.952 198 R CB -0.330 29.953 30.300 -0.028 0.000 0.850 198 R HN 0.542 nan 8.270 nan 0.000 0.433 199 N N -0.073 118.629 118.700 0.002 0.000 2.137 199 N HA -0.147 4.592 4.740 -0.001 0.000 0.190 199 N C 1.696 177.215 175.510 0.016 0.000 1.017 199 N CA 1.573 54.632 53.050 0.014 0.000 0.859 199 N CB -0.644 37.854 38.487 0.018 0.000 1.002 199 N HN 0.411 nan 8.380 nan 0.000 0.428 200 G N 1.173 109.976 108.800 0.005 0.000 2.418 200 G HA2 -0.144 3.816 3.960 -0.001 0.000 0.217 200 G HA3 -0.144 3.816 3.960 -0.001 0.000 0.217 200 G C 1.747 176.651 174.900 0.005 0.000 1.158 200 G CA 0.309 45.414 45.100 0.008 0.000 0.771 200 G HN 0.227 nan 8.290 nan 0.000 0.545 201 L N 0.255 121.460 121.223 -0.031 0.000 2.056 201 L HA -0.077 4.262 4.340 -0.001 0.000 0.207 201 L C 3.007 179.921 176.870 0.072 0.000 1.078 201 L CA 0.423 55.240 54.840 -0.040 0.000 0.749 201 L CB -0.467 41.516 42.059 -0.126 0.000 0.901 201 L HN 0.080 nan 8.230 nan 0.000 0.433 202 V N 0.161 120.109 119.914 0.057 0.000 2.332 202 V HA -0.338 3.782 4.120 -0.001 0.000 0.248 202 V C 2.771 178.918 176.094 0.088 0.000 1.055 202 V CA 1.904 64.249 62.300 0.074 0.000 1.038 202 V CB -1.039 30.813 31.823 0.048 0.000 0.651 202 V HN 0.505 nan 8.190 nan 0.000 0.450 203 A N -0.329 122.534 122.820 0.072 0.000 1.902 203 A HA -0.157 4.163 4.320 -0.001 0.000 0.217 203 A C 2.233 179.878 177.584 0.102 0.000 1.181 203 A CA 1.791 53.873 52.037 0.074 0.000 0.623 203 A CB -0.525 18.508 19.000 0.056 0.000 0.818 203 A HN 0.508 nan 8.150 nan 0.000 0.443 204 L N -0.651 120.648 121.223 0.126 0.000 2.046 204 L HA -0.163 4.176 4.340 -0.001 0.000 0.208 204 L C 2.522 179.521 176.870 0.215 0.000 1.077 204 L CA 1.163 56.106 54.840 0.171 0.000 0.747 204 L CB -0.567 41.632 42.059 0.232 0.000 0.896 204 L HN 0.257 nan 8.230 nan 0.000 0.432 205 V N -0.047 120.024 119.914 0.261 0.000 2.427 205 V HA -0.242 3.877 4.120 -0.001 0.000 0.248 205 V C 2.707 178.922 176.094 0.201 0.000 1.051 205 V CA 1.664 64.147 62.300 0.307 0.000 1.048 205 V CB -0.697 31.308 31.823 0.303 0.000 0.666 205 V HN 0.465 nan 8.190 nan 0.000 0.456 206 A N -0.098 122.806 122.820 0.140 0.000 1.898 206 A HA -0.230 4.090 4.320 -0.001 0.000 0.216 206 A C 1.982 179.626 177.584 0.100 0.000 1.181 206 A CA 1.913 54.011 52.037 0.103 0.000 0.620 206 A CB -0.566 18.481 19.000 0.077 0.000 0.819 206 A HN 0.526 nan 8.150 nan 0.000 0.442 207 D N 0.082 120.542 120.400 0.101 0.000 2.144 207 D HA -0.112 4.528 4.640 -0.001 0.000 0.199 207 D C 1.832 178.187 176.300 0.092 0.000 0.984 207 D CA 1.070 55.120 54.000 0.084 0.000 0.834 207 D CB -0.329 40.517 40.800 0.077 0.000 0.955 207 D HN 0.535 nan 8.370 nan 0.000 0.465 208 I N 0.360 121.005 120.570 0.125 0.000 2.179 208 I HA -0.256 3.913 4.170 -0.001 0.000 0.242 208 I C 2.478 178.677 176.117 0.136 0.000 1.088 208 I CA 0.812 62.192 61.300 0.133 0.000 1.357 208 I CB -0.167 37.950 38.000 0.194 0.000 1.051 208 I HN -0.047 nan 8.210 nan 0.000 0.409 209 M N 0.272 119.959 119.600 0.146 0.000 2.080 209 M HA -0.237 4.242 4.480 -0.001 0.000 0.260 209 M C 2.054 178.405 176.300 0.086 0.000 1.068 209 M CA 1.837 57.208 55.300 0.118 0.000 1.109 209 M CB -0.607 32.057 32.600 0.106 0.000 1.342 209 M HN 0.254 nan 8.290 nan 0.000 0.405 210 N N 0.412 119.158 118.700 0.076 0.000 2.120 210 N HA -0.096 4.643 4.740 -0.001 0.000 0.188 210 N C 1.797 177.339 175.510 0.053 0.000 1.024 210 N CA 1.677 54.762 53.050 0.058 0.000 0.852 210 N CB -0.828 37.690 38.487 0.052 0.000 1.003 210 N HN 0.467 nan 8.380 nan 0.000 0.424 211 G N 1.194 110.028 108.800 0.057 0.000 2.442 211 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.219 211 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.219 211 G C 1.703 176.631 174.900 0.047 0.000 1.141 211 G CA 0.447 45.575 45.100 0.047 0.000 0.763 211 G HN 0.313 nan 8.290 nan 0.000 0.554 212 R N -0.351 120.185 120.500 0.060 0.000 2.148 212 R HA 0.154 4.493 4.340 -0.001 0.000 0.223 212 R C 2.529 178.858 176.300 0.048 0.000 1.088 212 R CA 0.534 56.669 56.100 0.059 0.000 0.985 212 R CB -0.254 30.093 30.300 0.078 0.000 0.880 212 R HN 0.403 nan 8.270 nan 0.000 0.451 213 I N 0.369 120.967 120.570 0.047 0.000 2.202 213 I HA -0.233 3.936 4.170 -0.001 0.000 0.242 213 I C 2.440 178.576 176.117 0.032 0.000 1.091 213 I CA 1.405 62.728 61.300 0.038 0.000 1.368 213 I CB -0.263 37.760 38.000 0.037 0.000 1.058 213 I HN 0.147 nan 8.210 nan 0.000 0.410 214 A N -0.557 122.282 122.820 0.031 0.000 2.021 214 A HA -0.053 4.266 4.320 -0.001 0.000 0.216 214 A C 1.352 178.950 177.584 0.022 0.000 1.163 214 A CA 0.770 52.822 52.037 0.025 0.000 0.676 214 A CB -0.349 18.666 19.000 0.025 0.000 0.818 214 A HN 0.508 nan 8.150 nan 0.000 0.453 215 N N 0.520 119.235 118.700 0.025 0.000 2.765 215 N HA 0.287 5.026 4.740 -0.001 0.000 0.277 215 N C -2.843 172.681 175.510 0.023 0.000 1.750 215 N CA -1.161 51.901 53.050 0.021 0.000 0.827 215 N CB 0.839 39.337 38.487 0.019 0.000 1.200 215 N HN 0.125 nan 8.380 nan 0.000 0.494 223 R N 0.642 121.159 120.500 0.028 0.000 2.740 223 R HA 0.819 5.158 4.340 -0.001 0.000 0.273 223 R C -1.256 175.065 176.300 0.034 0.000 0.998 223 R CA -0.813 55.309 56.100 0.035 0.000 0.900 223 R CB 2.403 32.723 30.300 0.033 0.000 1.223 223 R HN 0.695 nan 8.270 nan 0.000 0.466 224 D N 0.332 120.757 120.400 0.042 0.000 2.781 224 D HA 0.144 4.783 4.640 -0.001 0.000 0.295 224 D C 0.458 176.771 176.300 0.022 0.000 1.143 224 D CA -0.857 53.158 54.000 0.026 0.000 1.076 224 D CB 0.355 41.174 40.800 0.031 0.000 1.444 224 D HN 0.356 nan 8.370 nan 0.000 0.567 225 M N -0.388 119.201 119.600 -0.018 0.000 2.296 225 M HA 0.093 4.572 4.480 -0.001 0.000 0.265 225 M C 1.544 177.907 176.300 0.105 0.000 1.064 225 M CA 0.988 56.298 55.300 0.016 0.000 1.109 225 M CB -0.504 32.078 32.600 -0.030 0.000 1.396 225 M HN 0.468 nan 8.290 nan 0.000 0.430 226 L N 0.137 121.434 121.223 0.124 0.000 2.046 226 L HA -0.186 4.153 4.340 -0.001 0.000 0.208 226 L C 1.654 178.600 176.870 0.127 0.000 1.077 226 L CA 2.011 56.979 54.840 0.213 0.000 0.747 226 L CB -1.037 41.162 42.059 0.234 0.000 0.896 226 L HN 0.300 nan 8.230 nan 0.000 0.432 227 D N -0.745 119.716 120.400 0.102 0.000 2.117 227 D HA -0.164 4.475 4.640 -0.001 0.000 0.197 227 D C 2.333 178.679 176.300 0.077 0.000 0.987 227 D CA 1.626 55.676 54.000 0.084 0.000 0.829 227 D CB -0.223 40.618 40.800 0.068 0.000 0.961 227 D HN 0.305 nan 8.370 nan 0.000 0.460 228 V N 1.311 121.268 119.914 0.072 0.000 2.287 228 V HA -0.230 3.890 4.120 -0.001 0.000 0.248 228 V C 2.655 178.809 176.094 0.100 0.000 1.053 228 V CA 1.259 63.602 62.300 0.072 0.000 1.027 228 V CB -0.433 31.426 31.823 0.060 0.000 0.646 228 V HN 0.190 nan 8.190 nan 0.000 0.447 229 L N -0.976 120.307 121.223 0.100 0.000 2.109 229 L HA -0.102 4.237 4.340 -0.001 0.000 0.207 229 L C 2.332 179.326 176.870 0.208 0.000 1.086 229 L CA 1.393 56.321 54.840 0.146 0.000 0.760 229 L CB -0.428 41.607 42.059 -0.039 0.000 0.910 229 L HN 0.251 nan 8.230 nan 0.000 0.437 230 I N 0.158 120.804 120.570 0.125 0.000 2.264 230 I HA -0.292 3.877 4.170 -0.001 0.000 0.248 230 I C 2.676 178.845 176.117 0.086 0.000 1.111 230 I CA 1.186 62.550 61.300 0.106 0.000 1.382 230 I CB -0.345 37.706 38.000 0.085 0.000 1.060 230 I HN 0.209 nan 8.210 nan 0.000 0.418 231 A N 0.261 123.129 122.820 0.081 0.000 2.066 231 A HA 0.020 4.339 4.320 -0.001 0.000 0.218 231 A C 1.230 178.834 177.584 0.033 0.000 1.157 231 A CA 0.363 52.431 52.037 0.052 0.000 0.670 231 A CB -0.558 18.471 19.000 0.048 0.000 0.804 231 A HN 0.155 nan 8.150 nan 0.000 0.453 232 V N 1.146 121.089 119.914 0.049 0.000 2.585 232 V HA 0.111 4.230 4.120 -0.001 0.000 0.296 232 V C 0.234 176.271 176.094 -0.096 0.000 1.035 232 V CA 0.281 62.571 62.300 -0.018 0.000 1.084 232 V CB 0.596 32.409 31.823 -0.016 0.000 0.953 232 V HN 0.412 nan 8.190 nan 0.000 0.483 233 K N 3.032 123.375 120.400 -0.095 0.000 2.156 233 K HA 0.759 5.079 4.320 -0.001 0.000 0.254 233 K C 0.142 176.660 176.600 -0.138 0.000 0.950 233 K CA -0.335 55.891 56.287 -0.101 0.000 0.849 233 K CB 1.866 34.332 32.500 -0.057 0.000 1.100 233 K HN 0.824 nan 8.250 nan 0.000 0.434 238 T N 0.202 114.733 114.554 -0.038 0.000 2.918 238 T HA 0.581 4.931 4.350 -0.001 0.000 0.302 238 T C -2.392 172.275 174.700 -0.054 0.000 1.045 238 T CA -1.185 60.893 62.100 -0.037 0.000 1.114 238 T CB 1.338 70.185 68.868 -0.035 0.000 0.965 238 T HN 0.262 nan 8.240 nan 0.000 0.540 239 P HA 0.190 nan 4.420 nan 0.000 0.266 239 P C 0.654 177.884 177.300 -0.118 0.000 1.195 239 P CA -0.464 62.601 63.100 -0.058 0.000 0.768 239 P CB 0.573 32.264 31.700 -0.015 0.000 0.838 240 R N 2.478 122.839 120.500 -0.231 0.000 2.066 240 R HA -0.001 4.338 4.340 -0.001 0.000 0.232 240 R C 0.050 176.073 176.300 -0.461 0.000 1.131 240 R CA 1.259 57.083 56.100 -0.461 0.000 0.955 240 R CB -0.110 29.683 30.300 -0.845 0.000 0.851 240 R HN 0.326 nan 8.270 nan 0.000 0.432 241 F N 0.757 120.690 119.950 -0.027 0.000 2.436 241 F HA 0.292 4.818 4.527 -0.001 0.000 0.340 241 F C 0.361 176.139 175.800 -0.038 0.000 1.113 241 F CA -1.120 56.856 58.000 -0.041 0.000 1.022 241 F CB 1.748 40.709 39.000 -0.064 0.000 1.128 241 F HN 0.014 nan 8.300 nan 0.000 0.466 242 S N 1.414 117.217 115.700 0.171 0.000 2.632 242 S HA 0.564 5.033 4.470 -0.001 0.000 0.267 242 S C 1.193 175.825 174.600 0.053 0.000 1.276 242 S CA -0.284 57.968 58.200 0.087 0.000 0.998 242 S CB 1.391 64.627 63.200 0.061 0.000 0.953 242 S HN 0.815 nan 8.310 nan 0.000 0.547 243 A N 0.765 123.607 122.820 0.037 0.000 1.948 243 A HA -0.189 4.130 4.320 -0.001 0.000 0.220 243 A C 1.780 179.363 177.584 -0.001 0.000 1.177 243 A CA 2.309 54.358 52.037 0.020 0.000 0.636 243 A CB -1.543 17.485 19.000 0.047 0.000 0.815 243 A HN 1.038 nan 8.150 nan 0.000 0.449 244 D N -0.912 119.497 120.400 0.016 0.000 2.097 244 D HA -0.160 4.479 4.640 -0.001 0.000 0.195 244 D C 1.920 178.211 176.300 -0.015 0.000 0.989 244 D CA 1.623 55.631 54.000 0.012 0.000 0.827 244 D CB -0.125 40.690 40.800 0.025 0.000 0.966 244 D HN 0.630 nan 8.370 nan 0.000 0.456 245 E N -0.175 120.018 120.200 -0.012 0.000 2.058 245 E HA -0.166 4.183 4.350 -0.001 0.000 0.194 245 E C 2.372 178.848 176.600 -0.208 0.000 0.997 245 E CA 0.916 57.285 56.400 -0.051 0.000 0.801 245 E CB -0.088 29.651 29.700 0.065 0.000 0.746 245 E HN 0.446 nan 8.360 nan 0.000 0.450 246 I N 0.921 121.330 120.570 -0.268 0.000 2.226 246 I HA -0.263 3.907 4.170 -0.001 0.000 0.245 246 I C 2.420 178.184 176.117 -0.588 0.000 1.100 246 I CA 1.160 62.133 61.300 -0.546 0.000 1.374 246 I CB -0.399 37.292 38.000 -0.516 0.000 1.057 246 I HN 0.125 nan 8.210 nan 0.000 0.413 247 T N 0.449 114.844 114.554 -0.265 0.000 2.720 247 T HA -0.142 4.207 4.350 -0.001 0.000 0.268 247 T C 1.920 176.625 174.700 0.009 0.000 1.037 247 T CA 1.527 63.591 62.100 -0.061 0.000 1.144 247 T CB -0.758 68.141 68.868 0.051 0.000 0.864 247 T HN 0.593 nan 8.240 nan 0.000 0.444 248 G N 1.143 109.927 108.800 -0.027 0.000 2.422 248 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.218 248 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.218 248 G C 1.566 176.456 174.900 -0.016 0.000 1.146 248 G CA 0.698 45.813 45.100 0.026 0.000 0.769 248 G HN 0.414 nan 8.290 nan 0.000 0.547 249 M N -0.293 119.228 119.600 -0.132 0.000 2.117 249 M HA 0.044 4.524 4.480 -0.001 0.000 0.262 249 M C 2.295 178.648 176.300 0.089 0.000 1.065 249 M CA 1.133 56.358 55.300 -0.126 0.000 1.114 249 M CB -0.346 32.091 32.600 -0.272 0.000 1.361 249 M HN 0.139 nan 8.290 nan 0.000 0.408 250 F N 0.547 120.473 119.950 -0.039 0.000 2.206 250 F HA -0.062 4.465 4.527 -0.001 0.000 0.298 250 F C 2.234 178.141 175.800 0.178 0.000 1.090 250 F CA 0.757 58.766 58.000 0.015 0.000 1.323 250 F CB -1.137 37.873 39.000 0.017 0.000 1.028 250 F HN 0.069 nan 8.300 nan 0.000 0.492 251 I N 0.082 120.917 120.570 0.441 0.000 2.163 251 I HA -0.363 3.807 4.170 -0.001 0.000 0.243 251 I C 2.619 179.014 176.117 0.464 0.000 1.085 251 I CA 1.819 63.437 61.300 0.530 0.000 1.347 251 I CB -0.614 37.610 38.000 0.372 0.000 1.044 251 I HN 0.147 nan 8.210 nan 0.000 0.408 252 S N 0.851 116.631 115.700 0.133 0.000 2.368 252 S HA -0.207 4.263 4.470 -0.001 0.000 0.225 252 S C 2.045 176.621 174.600 -0.040 0.000 1.030 252 S CA 1.121 59.147 58.200 -0.291 0.000 0.999 252 S CB -0.625 62.095 63.200 -0.800 0.000 0.844 252 S HN 0.346 nan 8.310 nan 0.000 0.459 253 M N 0.699 120.318 119.600 0.032 0.000 2.149 253 M HA 0.018 4.497 4.480 -0.001 0.000 0.261 253 M C 2.293 178.632 176.300 0.065 0.000 1.064 253 M CA 1.687 56.999 55.300 0.020 0.000 1.102 253 M CB -0.553 32.049 32.600 0.004 0.000 1.369 253 M HN 0.361 nan 8.290 nan 0.000 0.408 254 M N -1.970 117.735 119.600 0.174 0.000 2.509 254 M HA 0.019 4.498 4.480 -0.001 0.000 0.250 254 M C 1.686 178.148 176.300 0.270 0.000 1.132 254 M CA 0.511 55.891 55.300 0.134 0.000 1.080 254 M CB -0.073 32.539 32.600 0.020 0.000 1.408 254 M HN 0.132 nan 8.290 nan 0.000 0.484 255 F N 1.540 121.679 119.950 0.316 0.000 2.113 255 F HA -0.130 4.397 4.527 -0.001 0.000 0.297 255 F C 2.465 178.467 175.800 0.338 0.000 1.103 255 F CA 1.768 60.035 58.000 0.444 0.000 1.248 255 F CB -0.169 39.123 39.000 0.487 0.000 0.999 255 F HN 0.091 nan 8.300 nan 0.000 0.475 256 A N -0.220 122.843 122.820 0.406 0.000 1.908 256 A HA -0.100 4.219 4.320 -0.001 0.000 0.218 256 A C 2.329 179.979 177.584 0.111 0.000 1.181 256 A CA 1.774 53.970 52.037 0.266 0.000 0.627 256 A CB -1.681 17.422 19.000 0.170 0.000 0.818 256 A HN 0.469 nan 8.150 nan 0.000 0.445 257 G N -2.694 106.159 108.800 0.088 0.000 2.880 257 G HA2 0.019 3.979 3.960 -0.001 0.000 0.209 257 G HA3 0.019 3.979 3.960 -0.001 0.000 0.209 257 G C 1.302 176.221 174.900 0.031 0.000 1.157 257 G CA 0.761 45.893 45.100 0.053 0.000 0.779 257 G HN 0.725 nan 8.290 nan 0.000 0.539 258 H N 1.184 120.220 119.070 -0.057 0.000 2.273 258 H HA -0.110 4.445 4.556 -0.001 0.000 0.311 258 H C 2.474 177.776 175.328 -0.044 0.000 1.057 258 H CA 1.658 57.664 56.048 -0.070 0.000 1.360 258 H CB -0.140 29.547 29.762 -0.125 0.000 1.414 258 H HN 0.570 nan 8.280 nan 0.000 0.516 259 H N -0.072 118.833 119.070 -0.275 0.000 2.457 259 H HA -0.059 4.496 4.556 -0.001 0.000 0.294 259 H C 2.109 177.357 175.328 -0.133 0.000 1.064 259 H CA 1.894 57.790 56.048 -0.253 0.000 1.330 259 H CB -0.520 29.174 29.762 -0.113 0.000 1.395 259 H HN 0.350 nan 8.280 nan 0.000 0.541 260 T N -2.100 112.046 114.554 -0.679 0.000 2.737 260 T HA -0.113 4.236 4.350 -0.001 0.000 0.265 260 T C 2.219 176.811 174.700 -0.180 0.000 1.038 260 T CA 1.171 63.017 62.100 -0.423 0.000 1.144 260 T CB -0.699 67.964 68.868 -0.342 0.000 0.866 260 T HN 0.353 nan 8.240 nan 0.000 0.434 261 S N 1.325 116.940 115.700 -0.142 0.000 2.383 261 S HA -0.063 4.406 4.470 -0.001 0.000 0.227 261 S C 2.398 176.918 174.600 -0.133 0.000 1.026 261 S CA 1.135 59.288 58.200 -0.078 0.000 0.981 261 S CB -0.623 62.568 63.200 -0.015 0.000 0.818 261 S HN 0.654 nan 8.310 nan 0.000 0.472 262 S N 1.309 116.897 115.700 -0.187 0.000 2.343 262 S HA -0.087 4.383 4.470 -0.001 0.000 0.219 262 S C 2.118 176.646 174.600 -0.119 0.000 1.033 262 S CA 1.718 59.824 58.200 -0.158 0.000 1.014 262 S CB -0.943 62.103 63.200 -0.257 0.000 0.915 262 S HN 0.567 nan 8.310 nan 0.000 0.435 263 G N 0.063 108.829 108.800 -0.058 0.000 2.418 263 G HA2 -0.140 3.819 3.960 -0.001 0.000 0.217 263 G HA3 -0.140 3.819 3.960 -0.001 0.000 0.217 263 G C 1.529 176.471 174.900 0.070 0.000 1.158 263 G CA 1.462 46.591 45.100 0.048 0.000 0.771 263 G HN 0.573 nan 8.290 nan 0.000 0.545 264 T N 1.593 116.147 114.554 0.000 0.000 2.788 264 T HA 0.025 4.374 4.350 -0.001 0.000 0.268 264 T C 2.803 177.452 174.700 -0.086 0.000 1.044 264 T CA 1.450 63.553 62.100 0.005 0.000 1.139 264 T CB -0.312 68.540 68.868 -0.027 0.000 0.867 264 T HN 0.374 nan 8.240 nan 0.000 0.454 265 A N 1.375 124.038 122.820 -0.263 0.000 1.877 265 A HA -0.084 4.235 4.320 -0.001 0.000 0.216 265 A C 2.622 179.820 177.584 -0.643 0.000 1.186 265 A CA 1.921 53.650 52.037 -0.513 0.000 0.620 265 A CB -0.921 17.376 19.000 -1.171 0.000 0.822 265 A HN 0.435 nan 8.150 nan 0.000 0.443 266 S N -1.213 114.121 115.700 -0.611 0.000 2.353 266 S HA -0.234 4.236 4.470 -0.001 0.000 0.222 266 S C 1.607 175.999 174.600 -0.346 0.000 1.035 266 S CA 1.599 59.613 58.200 -0.311 0.000 1.025 266 S CB -0.559 62.501 63.200 -0.233 0.000 0.902 266 S HN 0.776 nan 8.310 nan 0.000 0.440 267 W N 1.684 122.853 121.300 -0.219 0.000 2.402 267 W HA -0.060 4.599 4.660 -0.001 0.000 0.286 267 W C 2.721 179.100 176.519 -0.233 0.000 1.221 267 W CA 0.987 58.166 57.345 -0.277 0.000 1.257 267 W CB -0.896 28.364 29.460 -0.334 0.000 1.120 267 W HN 0.212 nan 8.180 nan 0.000 0.551 268 T N 0.939 115.466 114.554 -0.045 0.000 2.684 268 T HA -0.239 4.110 4.350 -0.001 0.000 0.267 268 T C 1.714 176.216 174.700 -0.331 0.000 1.036 268 T CA 1.512 63.475 62.100 -0.227 0.000 1.148 268 T CB -0.646 67.940 68.868 -0.469 0.000 0.863 268 T HN -0.028 nan 8.240 nan 0.000 0.436 269 L N 0.787 121.858 121.223 -0.252 0.000 2.093 269 L HA 0.129 4.468 4.340 -0.001 0.000 0.208 269 L C 2.119 178.836 176.870 -0.256 0.000 1.085 269 L CA 1.350 56.070 54.840 -0.201 0.000 0.755 269 L CB -0.649 41.423 42.059 0.022 0.000 0.904 269 L HN 0.279 nan 8.230 nan 0.000 0.435 270 I N -0.559 119.827 120.570 -0.307 0.000 2.163 270 I HA -0.253 3.916 4.170 -0.001 0.000 0.243 270 I C 2.349 178.319 176.117 -0.245 0.000 1.085 270 I CA 1.174 62.222 61.300 -0.420 0.000 1.347 270 I CB -0.373 37.254 38.000 -0.621 0.000 1.044 270 I HN 0.290 nan 8.210 nan 0.000 0.408 271 E N 0.585 120.694 120.200 -0.151 0.000 2.107 271 E HA -0.120 4.229 4.350 -0.001 0.000 0.191 271 E C 2.369 178.843 176.600 -0.210 0.000 0.982 271 E CA 0.950 57.227 56.400 -0.205 0.000 0.809 271 E CB -0.190 29.351 29.700 -0.265 0.000 0.756 271 E HN 0.505 nan 8.360 nan 0.000 0.459 272 L N 0.172 121.283 121.223 -0.188 0.000 2.046 272 L HA -0.162 4.178 4.340 -0.001 0.000 0.208 272 L C 2.636 179.509 176.870 0.006 0.000 1.077 272 L CA 1.142 55.896 54.840 -0.143 0.000 0.747 272 L CB -0.386 41.407 42.059 -0.443 0.000 0.896 272 L HN 0.131 nan 8.230 nan 0.000 0.432 273 M N -1.138 118.438 119.600 -0.040 0.000 2.229 273 M HA -0.158 4.321 4.480 -0.001 0.000 0.264 273 M C 2.275 178.574 176.300 -0.002 0.000 1.063 273 M CA 1.496 56.850 55.300 0.091 0.000 1.114 273 M CB -0.284 32.337 32.600 0.034 0.000 1.387 273 M HN 0.107 nan 8.290 nan 0.000 0.420 274 R N -0.676 119.734 120.500 -0.151 0.000 2.235 274 R HA -0.008 4.331 4.340 -0.001 0.000 0.213 274 R C 0.080 176.034 176.300 -0.577 0.000 1.059 274 R CA 0.671 56.560 56.100 -0.351 0.000 0.997 274 R CB 0.123 30.141 30.300 -0.469 0.000 0.884 274 R HN 0.403 nan 8.270 nan 0.000 0.462 275 H N -0.369 118.672 119.070 -0.048 0.000 2.569 275 H HA 0.247 4.802 4.556 -0.001 0.000 0.247 275 H C 0.319 175.722 175.328 0.126 0.000 1.346 275 H CA -0.347 55.720 56.048 0.032 0.000 1.502 275 H CB 0.786 30.549 29.762 0.001 0.000 1.512 275 H HN -0.009 nan 8.280 nan 0.000 0.502 276 R N 0.853 121.463 120.500 0.184 0.000 2.152 276 R HA -0.105 4.234 4.340 -0.001 0.000 0.232 276 R C 1.266 177.678 176.300 0.187 0.000 1.117 276 R CA 1.303 57.514 56.100 0.186 0.000 0.981 276 R CB 0.198 30.553 30.300 0.091 0.000 0.870 276 R HN 0.621 nan 8.270 nan 0.000 0.451 277 D N 0.369 120.880 120.400 0.185 0.000 2.117 277 D HA -0.138 4.501 4.640 -0.001 0.000 0.198 277 D C 1.663 178.078 176.300 0.191 0.000 0.982 277 D CA 1.283 55.379 54.000 0.160 0.000 0.828 277 D CB -0.321 40.567 40.800 0.147 0.000 0.967 277 D HN 0.118 nan 8.370 nan 0.000 0.464 278 A N 0.181 123.152 122.820 0.251 0.000 1.898 278 A HA -0.195 4.125 4.320 -0.001 0.000 0.216 278 A C 2.258 180.008 177.584 0.277 0.000 1.181 278 A CA 1.200 53.391 52.037 0.256 0.000 0.620 278 A CB -1.193 18.018 19.000 0.352 0.000 0.819 278 A HN 0.279 nan 8.150 nan 0.000 0.442 279 Y N 0.821 121.201 120.300 0.133 0.000 2.128 279 Y HA -0.155 4.395 4.550 -0.001 0.000 0.284 279 Y C 2.753 178.717 175.900 0.105 0.000 1.154 279 Y CA 0.915 59.083 58.100 0.112 0.000 1.149 279 Y CB -1.056 37.469 38.460 0.108 0.000 0.976 279 Y HN 0.321 nan 8.280 nan 0.000 0.505 280 A N 0.178 123.143 122.820 0.241 0.000 1.940 280 A HA -0.106 4.213 4.320 -0.001 0.000 0.219 280 A C 2.511 180.179 177.584 0.140 0.000 1.176 280 A CA 2.170 54.277 52.037 0.117 0.000 0.631 280 A CB -1.362 17.673 19.000 0.058 0.000 0.814 280 A HN 0.532 nan 8.150 nan 0.000 0.446 281 A N -0.716 122.194 122.820 0.149 0.000 1.930 281 A HA 0.061 4.380 4.320 -0.001 0.000 0.217 281 A C 2.213 179.877 177.584 0.133 0.000 1.175 281 A CA 1.621 53.730 52.037 0.121 0.000 0.627 281 A CB -0.797 18.267 19.000 0.107 0.000 0.815 281 A HN 0.362 nan 8.150 nan 0.000 0.443 282 V N 0.595 120.612 119.914 0.173 0.000 2.295 282 V HA -0.236 3.883 4.120 -0.001 0.000 0.246 282 V C 2.439 178.646 176.094 0.187 0.000 1.049 282 V CA 1.668 64.067 62.300 0.165 0.000 1.024 282 V CB -0.660 31.255 31.823 0.153 0.000 0.648 282 V HN 0.494 nan 8.190 nan 0.000 0.447 283 I N 0.427 121.140 120.570 0.239 0.000 2.151 283 I HA -0.245 3.924 4.170 -0.001 0.000 0.243 283 I C 2.326 178.524 176.117 0.135 0.000 1.080 283 I CA 1.819 63.241 61.300 0.203 0.000 1.339 283 I CB -1.392 36.717 38.000 0.182 0.000 1.039 283 I HN 0.347 nan 8.210 nan 0.000 0.409 284 D N 0.481 120.947 120.400 0.111 0.000 2.123 284 D HA -0.215 4.424 4.640 -0.001 0.000 0.196 284 D C 2.150 178.498 176.300 0.081 0.000 0.992 284 D CA 1.498 55.547 54.000 0.081 0.000 0.833 284 D CB -0.188 40.653 40.800 0.068 0.000 0.954 284 D HN 0.616 nan 8.370 nan 0.000 0.455 285 E N 0.685 120.939 120.200 0.090 0.000 2.072 285 E HA -0.127 4.223 4.350 -0.001 0.000 0.190 285 E C 2.294 178.947 176.600 0.088 0.000 0.982 285 E CA 0.528 56.973 56.400 0.076 0.000 0.803 285 E CB -0.503 29.239 29.700 0.070 0.000 0.755 285 E HN 0.235 nan 8.360 nan 0.000 0.453 286 L N 1.196 122.500 121.223 0.135 0.000 2.017 286 L HA -0.193 4.147 4.340 -0.001 0.000 0.208 286 L C 2.252 179.246 176.870 0.207 0.000 1.073 286 L CA 1.609 56.576 54.840 0.211 0.000 0.745 286 L CB -0.498 41.684 42.059 0.206 0.000 0.894 286 L HN 0.168 nan 8.230 nan 0.000 0.432 287 D N -0.148 120.332 120.400 0.133 0.000 2.117 287 D HA -0.173 4.466 4.640 -0.001 0.000 0.197 287 D C 2.133 178.485 176.300 0.086 0.000 0.987 287 D CA 1.119 55.181 54.000 0.103 0.000 0.829 287 D CB -0.039 40.804 40.800 0.072 0.000 0.961 287 D HN 0.411 nan 8.370 nan 0.000 0.460 288 E N 0.247 120.485 120.200 0.063 0.000 2.028 288 E HA -0.095 4.255 4.350 -0.001 0.000 0.191 288 E C 2.458 179.061 176.600 0.005 0.000 0.988 288 E CA 0.418 56.840 56.400 0.037 0.000 0.799 288 E CB -0.125 29.595 29.700 0.033 0.000 0.755 288 E HN 0.237 nan 8.360 nan 0.000 0.447 289 L N -0.035 121.158 121.223 -0.050 0.000 2.012 289 L HA -0.214 4.125 4.340 -0.001 0.000 0.210 289 L C 2.292 178.917 176.870 -0.407 0.000 1.073 289 L CA 1.330 56.027 54.840 -0.239 0.000 0.748 289 L CB -0.435 41.380 42.059 -0.407 0.000 0.891 289 L HN 0.180 nan 8.230 nan 0.000 0.431 290 Y N -0.197 119.948 120.300 -0.259 0.000 2.616 290 Y HA -0.053 4.496 4.550 -0.002 0.000 0.296 290 Y C 2.335 178.225 175.900 -0.016 0.000 1.154 290 Y CA 0.672 58.678 58.100 -0.156 0.000 1.325 290 Y CB -0.548 37.858 38.460 -0.091 0.000 1.007 290 Y HN 0.125 nan 8.280 nan 0.000 0.542 291 G N 0.008 108.859 108.800 0.085 0.000 2.625 291 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.214 291 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.214 291 G C 1.048 175.981 174.900 0.055 0.000 1.132 291 G CA 0.958 46.099 45.100 0.068 0.000 0.782 291 G HN 0.497 nan 8.290 nan 0.000 0.538 292 D N -0.827 119.613 120.400 0.065 0.000 2.355 292 D HA 0.164 4.803 4.640 -0.001 0.000 0.218 292 D C 1.777 178.086 176.300 0.014 0.000 1.004 292 D CA 0.622 54.646 54.000 0.040 0.000 0.880 292 D CB -0.523 40.304 40.800 0.044 0.000 0.911 292 D HN 0.385 nan 8.370 nan 0.000 0.528 293 G N 0.092 108.931 108.800 0.065 0.000 2.179 293 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.260 293 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.260 293 G C 0.256 175.175 174.900 0.032 0.000 0.977 293 G CA -0.074 45.055 45.100 0.050 0.000 0.641 293 G HN 0.336 nan 8.290 nan 0.000 0.533 294 R N 0.990 121.500 120.500 0.015 0.000 2.560 294 R HA 0.591 4.930 4.340 -0.001 0.000 0.270 294 R C 1.165 177.589 176.300 0.208 0.000 1.074 294 R CA 0.268 56.306 56.100 -0.104 0.000 1.140 294 R CB 0.796 30.671 30.300 -0.709 0.000 1.073 294 R HN 0.651 nan 8.270 nan 0.000 0.527 295 S N -0.586 115.220 115.700 0.177 0.000 2.617 295 S HA 0.055 4.524 4.470 -0.001 0.000 0.259 295 S C 1.540 176.423 174.600 0.472 0.000 1.301 295 S CA -0.798 57.576 58.200 0.291 0.000 0.984 295 S CB 0.619 63.921 63.200 0.170 0.000 0.954 295 S HN 0.272 nan 8.310 nan 0.000 0.572 296 V N 1.791 121.973 119.914 0.447 0.000 2.392 296 V HA -0.195 3.925 4.120 -0.001 0.000 0.249 296 V C 2.990 179.249 176.094 0.274 0.000 1.059 296 V CA 2.368 64.927 62.300 0.432 0.000 1.051 296 V CB -1.601 30.361 31.823 0.232 0.000 0.658 296 V HN 1.077 nan 8.190 nan 0.000 0.455 297 S N -0.508 115.309 115.700 0.194 0.000 2.442 297 S HA -0.202 4.267 4.470 -0.001 0.000 0.236 297 S C 1.870 176.538 174.600 0.113 0.000 1.007 297 S CA 1.556 59.831 58.200 0.125 0.000 0.965 297 S CB -0.637 62.620 63.200 0.094 0.000 0.773 297 S HN 0.586 nan 8.310 nan 0.000 0.504 298 F N 2.222 122.158 119.950 -0.023 0.000 2.147 298 F HA 0.104 4.631 4.527 -0.001 0.000 0.291 298 F C 2.652 178.334 175.800 -0.198 0.000 1.093 298 F CA 1.455 59.364 58.000 -0.150 0.000 1.263 298 F CB -0.242 38.604 39.000 -0.256 0.000 1.036 298 F HN 0.198 nan 8.300 nan 0.000 0.481 299 H N -0.366 118.758 119.070 0.090 0.000 2.470 299 H HA 0.189 4.744 4.556 -0.001 0.000 0.289 299 H C 2.190 177.478 175.328 -0.066 0.000 1.033 299 H CA 0.961 56.953 56.048 -0.093 0.000 1.331 299 H CB -0.350 29.214 29.762 -0.330 0.000 1.414 299 H HN 0.378 nan 8.280 nan 0.000 0.545 300 A N 0.561 123.452 122.820 0.118 0.000 2.168 300 A HA -0.027 4.292 4.320 -0.001 0.000 0.215 300 A C 1.589 179.163 177.584 -0.018 0.000 1.152 300 A CA 0.664 52.746 52.037 0.075 0.000 0.716 300 A CB -0.157 18.893 19.000 0.082 0.000 0.794 300 A HN 0.135 nan 8.150 nan 0.000 0.465 301 L N -0.901 120.264 121.223 -0.096 0.000 2.769 301 L HA 0.355 4.694 4.340 -0.001 0.000 0.240 301 L C 0.736 177.491 176.870 -0.192 0.000 1.163 301 L CA 0.537 55.295 54.840 -0.137 0.000 0.962 301 L CB -0.306 41.661 42.059 -0.153 0.000 1.258 301 L HN 0.236 nan 8.230 nan 0.000 0.513 302 R N -1.565 118.823 120.500 -0.187 0.000 2.869 302 R HA 0.433 4.772 4.340 -0.001 0.000 0.263 302 R C -0.392 175.865 176.300 -0.072 0.000 1.066 302 R CA -0.981 55.010 56.100 -0.183 0.000 0.960 302 R CB 1.156 31.259 30.300 -0.328 0.000 1.221 302 R HN -0.064 nan 8.270 nan 0.000 0.474 303 Q N 1.357 121.127 119.800 -0.051 0.000 2.300 303 Q HA 0.125 4.464 4.340 -0.001 0.000 0.280 303 Q C -0.449 175.559 176.000 0.013 0.000 1.033 303 Q CA 0.902 56.694 55.803 -0.018 0.000 0.903 303 Q CB 0.583 29.312 28.738 -0.016 0.000 1.195 303 Q HN 0.419 nan 8.270 nan 0.000 0.386 304 I N 5.514 126.096 120.570 0.020 0.000 2.623 304 I HA 0.148 4.318 4.170 -0.001 0.000 0.275 304 I C -1.912 174.223 176.117 0.030 0.000 1.108 304 I CA -1.881 59.442 61.300 0.038 0.000 1.120 304 I CB 1.491 39.532 38.000 0.069 0.000 1.249 304 I HN 0.297 nan 8.210 nan 0.000 0.500 305 P HA -0.146 nan 4.420 nan 0.000 0.215 305 P C 1.426 178.738 177.300 0.020 0.000 1.157 305 P CA 1.293 64.402 63.100 0.014 0.000 0.863 305 P CB 0.243 31.952 31.700 0.014 0.000 0.787 306 Q N -0.872 118.948 119.800 0.034 0.000 2.079 306 Q HA -0.113 4.226 4.340 -0.001 0.000 0.200 306 Q C 2.180 178.202 176.000 0.038 0.000 0.974 306 Q CA 1.011 56.840 55.803 0.042 0.000 0.840 306 Q CB -1.349 27.427 28.738 0.063 0.000 0.898 306 Q HN 0.216 nan 8.270 nan 0.000 0.430 307 L N 1.555 122.800 121.223 0.037 0.000 2.046 307 L HA -0.157 4.182 4.340 -0.001 0.000 0.208 307 L C 1.946 178.811 176.870 -0.008 0.000 1.077 307 L CA 1.826 56.673 54.840 0.011 0.000 0.747 307 L CB -0.436 41.641 42.059 0.030 0.000 0.896 307 L HN 0.148 nan 8.230 nan 0.000 0.432 308 E N -0.670 119.529 120.200 -0.002 0.000 2.110 308 E HA -0.200 4.149 4.350 -0.001 0.000 0.193 308 E C 1.776 178.343 176.600 -0.056 0.000 0.988 308 E CA 1.170 57.556 56.400 -0.022 0.000 0.804 308 E CB -0.097 29.588 29.700 -0.024 0.000 0.745 308 E HN 0.557 nan 8.360 nan 0.000 0.458 309 N N 0.139 118.820 118.700 -0.032 0.000 2.216 309 N HA -0.091 4.648 4.740 -0.001 0.000 0.183 309 N C 1.871 177.369 175.510 -0.021 0.000 1.017 309 N CA 0.566 53.604 53.050 -0.020 0.000 0.861 309 N CB -0.220 38.299 38.487 0.054 0.000 0.986 309 N HN -0.009 nan 8.380 nan 0.000 0.428 310 V N 1.501 121.418 119.914 0.006 0.000 2.332 310 V HA -0.189 3.930 4.120 -0.001 0.000 0.248 310 V C 2.334 178.470 176.094 0.069 0.000 1.055 310 V CA 1.141 63.491 62.300 0.083 0.000 1.038 310 V CB -0.502 31.399 31.823 0.131 0.000 0.651 310 V HN 0.204 nan 8.190 nan 0.000 0.450 311 L N 0.144 121.362 121.223 -0.008 0.000 2.017 311 L HA -0.145 4.195 4.340 -0.001 0.000 0.208 311 L C 2.372 179.236 176.870 -0.010 0.000 1.073 311 L CA 1.948 56.781 54.840 -0.011 0.000 0.745 311 L CB -0.811 41.239 42.059 -0.014 0.000 0.894 311 L HN 0.212 nan 8.230 nan 0.000 0.432 312 K N -0.618 119.720 120.400 -0.103 0.000 2.063 312 K HA -0.250 4.069 4.320 -0.001 0.000 0.208 312 K C 2.095 178.651 176.600 -0.073 0.000 1.048 312 K CA 1.728 57.892 56.287 -0.205 0.000 0.928 312 K CB -0.156 31.753 32.500 -0.986 0.000 0.713 312 K HN 0.276 nan 8.250 nan 0.000 0.442 313 E N 0.339 120.543 120.200 0.007 0.000 2.106 313 E HA -0.100 4.249 4.350 -0.001 0.000 0.192 313 E C 1.716 178.397 176.600 0.136 0.000 0.984 313 E CA 1.515 58.001 56.400 0.142 0.000 0.806 313 E CB -0.105 29.481 29.700 -0.190 0.000 0.750 313 E HN 0.147 nan 8.360 nan 0.000 0.458 314 T N 0.702 115.379 114.554 0.205 0.000 2.746 314 T HA -0.102 4.247 4.350 -0.001 0.000 0.267 314 T C 1.791 176.530 174.700 0.066 0.000 1.039 314 T CA 1.261 63.517 62.100 0.260 0.000 1.142 314 T CB -0.240 68.769 68.868 0.235 0.000 0.866 314 T HN 0.130 nan 8.240 nan 0.000 0.444 315 L N 0.362 121.559 121.223 -0.044 0.000 2.141 315 L HA -0.024 4.315 4.340 -0.001 0.000 0.209 315 L C 2.846 179.510 176.870 -0.343 0.000 1.094 315 L CA 1.106 55.809 54.840 -0.228 0.000 0.763 315 L CB -0.414 41.431 42.059 -0.357 0.000 0.908 315 L HN 0.151 nan 8.230 nan 0.000 0.437 316 R N 0.429 120.779 120.500 -0.250 0.000 2.081 316 R HA -0.147 4.193 4.340 -0.001 0.000 0.235 316 R C 2.232 178.326 176.300 -0.343 0.000 1.131 316 R CA 1.404 57.301 56.100 -0.339 0.000 0.960 316 R CB -0.097 30.167 30.300 -0.060 0.000 0.856 316 R HN 0.312 nan 8.270 nan 0.000 0.436 317 L N -0.840 120.183 121.223 -0.334 0.000 2.209 317 L HA -0.034 4.305 4.340 -0.001 0.000 0.207 317 L C 0.681 177.076 176.870 -0.791 0.000 1.094 317 L CA 0.623 55.129 54.840 -0.556 0.000 0.790 317 L CB 0.080 41.737 42.059 -0.670 0.000 0.932 317 L HN 0.259 nan 8.230 nan 0.000 0.447 318 H N -0.516 118.359 119.070 -0.325 0.000 2.535 318 H HA 0.278 4.833 4.556 -0.001 0.000 0.232 318 H C -2.358 172.787 175.328 -0.307 0.000 1.405 318 H CA -1.993 53.781 56.048 -0.455 0.000 1.224 318 H CB -0.140 29.114 29.762 -0.847 0.000 1.763 318 H HN 0.045 nan 8.280 nan 0.000 0.529 319 P HA 0.066 nan 4.420 nan 0.000 0.267 319 P C -2.029 175.222 177.300 -0.082 0.000 1.209 319 P CA -1.072 61.907 63.100 -0.202 0.000 0.763 319 P CB 1.626 33.189 31.700 -0.229 0.000 0.816 320 P HA -0.018 nan 4.420 nan 0.000 0.219 320 P C 0.297 177.671 177.300 0.123 0.000 1.150 320 P CA 1.032 64.156 63.100 0.039 0.000 0.814 320 P CB 0.184 31.867 31.700 -0.028 0.000 0.787 321 L N 1.039 122.310 121.223 0.079 0.000 2.261 321 L HA 0.195 4.534 4.340 -0.001 0.000 0.289 321 L C 1.554 178.485 176.870 0.102 0.000 1.059 321 L CA -0.035 54.896 54.840 0.152 0.000 0.816 321 L CB -0.030 42.126 42.059 0.161 0.000 1.191 321 L HN -0.055 nan 8.230 nan 0.000 0.431 322 I N 0.906 121.550 120.570 0.123 0.000 3.603 322 I HA 0.321 4.490 4.170 -0.001 0.000 0.297 322 I C 0.599 176.766 176.117 0.083 0.000 1.269 322 I CA 0.541 61.878 61.300 0.062 0.000 1.361 322 I CB 0.378 38.387 38.000 0.015 0.000 1.063 322 I HN 0.391 nan 8.210 nan 0.000 0.448 323 I N 1.293 121.958 120.570 0.158 0.000 2.827 323 I HA 0.464 4.633 4.170 -0.001 0.000 0.298 323 I C -1.829 174.436 176.117 0.247 0.000 1.235 323 I CA -0.869 60.540 61.300 0.182 0.000 1.021 323 I CB 2.562 40.724 38.000 0.271 0.000 1.259 323 I HN -0.027 nan 8.210 nan 0.000 0.427 324 L N 7.048 128.391 121.223 0.199 0.000 2.381 324 L HA 0.568 4.907 4.340 -0.001 0.000 0.274 324 L C -0.859 176.207 176.870 0.327 0.000 0.988 324 L CA -0.691 54.345 54.840 0.328 0.000 0.824 324 L CB 1.858 44.120 42.059 0.338 0.000 1.263 324 L HN 0.462 nan 8.230 nan 0.000 0.410 325 M N 3.301 123.132 119.600 0.386 0.000 2.537 325 M HA 0.649 5.128 4.480 -0.001 0.000 0.324 325 M C -0.446 175.968 176.300 0.190 0.000 1.187 325 M CA -0.551 54.850 55.300 0.168 0.000 0.993 325 M CB 1.940 34.443 32.600 -0.162 0.000 1.666 325 M HN 0.501 nan 8.290 nan 0.000 0.461 326 R N 0.639 121.205 120.500 0.111 0.000 2.739 326 R HA 0.724 5.063 4.340 -0.001 0.000 0.271 326 R C -1.594 174.719 176.300 0.021 0.000 1.010 326 R CA -0.824 55.297 56.100 0.035 0.000 0.897 326 R CB 1.988 32.245 30.300 -0.072 0.000 1.236 326 R HN 0.512 nan 8.270 nan 0.000 0.466 327 V N 1.404 121.331 119.914 0.020 0.000 2.370 327 V HA 0.458 4.577 4.120 -0.001 0.000 0.283 327 V C 0.371 176.498 176.094 0.055 0.000 1.023 327 V CA -1.032 61.288 62.300 0.035 0.000 0.857 327 V CB 1.437 33.286 31.823 0.043 0.000 0.985 327 V HN 0.877 nan 8.190 nan 0.000 0.443 328 A N 5.055 127.932 122.820 0.094 0.000 2.488 328 A HA 0.342 4.661 4.320 -0.001 0.000 0.249 328 A C 1.061 178.753 177.584 0.179 0.000 1.083 328 A CA -0.122 52.026 52.037 0.186 0.000 0.768 328 A CB 0.154 19.312 19.000 0.264 0.000 1.017 328 A HN 0.790 nan 8.150 nan 0.000 0.496 329 K N 1.784 122.318 120.400 0.224 0.000 2.404 329 K HA 0.198 4.517 4.320 -0.001 0.000 0.194 329 K C 0.741 177.418 176.600 0.128 0.000 1.023 329 K CA 0.886 57.265 56.287 0.154 0.000 1.094 329 K CB 0.480 33.064 32.500 0.140 0.000 0.841 329 K HN 0.877 nan 8.250 nan 0.000 0.523 330 G N 0.507 109.394 108.800 0.146 0.000 2.548 330 G HA2 0.316 4.275 3.960 -0.001 0.000 0.301 330 G HA3 0.316 4.275 3.960 -0.001 0.000 0.301 330 G C -1.765 172.849 174.900 -0.477 0.000 1.349 330 G CA -0.658 44.328 45.100 -0.189 0.000 0.792 330 G HN -0.088 nan 8.290 nan 0.000 0.481 331 E N -0.474 119.316 120.200 -0.683 0.000 2.197 331 E HA 0.693 5.042 4.350 -0.001 0.000 0.281 331 E C -1.157 174.879 176.600 -0.940 0.000 0.995 331 E CA -0.020 56.037 56.400 -0.571 0.000 0.808 331 E CB 1.349 30.886 29.700 -0.273 0.000 1.093 331 E HN 0.303 nan 8.360 nan 0.000 0.394 332 F N 0.403 120.303 119.950 -0.082 0.000 2.626 332 F HA 0.427 4.953 4.527 -0.001 0.000 0.311 332 F C -0.031 175.637 175.800 -0.221 0.000 1.088 332 F CA -1.022 56.909 58.000 -0.115 0.000 0.949 332 F CB 1.944 40.898 39.000 -0.078 0.000 1.322 332 F HN 0.226 nan 8.300 nan 0.000 0.461 333 E N 1.032 121.198 120.200 -0.056 0.000 2.210 333 E HA 0.722 5.071 4.350 -0.001 0.000 0.266 333 E C -1.883 174.597 176.600 -0.201 0.000 0.883 333 E CA -0.665 55.663 56.400 -0.119 0.000 0.761 333 E CB 2.121 31.774 29.700 -0.078 0.000 1.156 333 E HN 0.431 nan 8.360 nan 0.000 0.412 334 V N 5.420 125.226 119.914 -0.181 0.000 2.447 334 V HA 0.166 4.286 4.120 -0.001 0.000 0.292 334 V C -0.333 175.776 176.094 0.026 0.000 1.021 334 V CA -0.603 61.603 62.300 -0.157 0.000 0.850 334 V CB 1.278 32.903 31.823 -0.330 0.000 1.005 334 V HN 0.917 nan 8.190 nan 0.000 0.426 335 Q N 2.914 122.767 119.800 0.088 0.000 2.457 335 Q HA -0.254 4.086 4.340 -0.001 0.000 0.283 335 Q C 1.191 177.118 176.000 -0.122 0.000 1.234 335 Q CA 0.807 56.626 55.803 0.027 0.000 0.877 335 Q CB -1.443 27.360 28.738 0.108 0.000 1.250 335 Q HN 1.704 nan 8.270 nan 0.000 0.481 336 G N -0.146 108.574 108.800 -0.134 0.000 2.160 336 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.251 336 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.251 336 G C -0.242 174.450 174.900 -0.347 0.000 1.008 336 G CA 0.488 45.459 45.100 -0.217 0.000 0.724 336 G HN 0.601 nan 8.290 nan 0.000 0.514 337 H N -0.581 118.454 119.070 -0.058 0.000 2.489 337 H HA 0.477 5.033 4.556 -0.001 0.000 0.343 337 H C 0.359 175.620 175.328 -0.112 0.000 1.086 337 H CA -0.713 55.295 56.048 -0.067 0.000 1.198 337 H CB 1.453 31.181 29.762 -0.056 0.000 1.490 337 H HN 0.292 nan 8.280 nan 0.000 0.504 338 R N 3.529 124.019 120.500 -0.016 0.000 2.221 338 R HA 0.336 4.675 4.340 -0.001 0.000 0.327 338 R C -0.387 175.742 176.300 -0.285 0.000 1.033 338 R CA -0.517 55.467 56.100 -0.193 0.000 0.887 338 R CB 0.295 30.425 30.300 -0.283 0.000 1.057 338 R HN 0.515 nan 8.270 nan 0.000 0.455 339 I N 4.545 124.982 120.570 -0.222 0.000 2.365 339 I HA 0.192 4.361 4.170 -0.001 0.000 0.291 339 I C -0.137 175.840 176.117 -0.233 0.000 1.004 339 I CA -0.482 60.745 61.300 -0.121 0.000 1.311 339 I CB 1.112 39.161 38.000 0.083 0.000 1.401 339 I HN 0.651 nan 8.210 nan 0.000 0.491 340 H N 3.581 122.678 119.070 0.045 0.000 2.567 340 H HA 0.245 4.800 4.556 -0.001 0.000 0.345 340 H C -0.103 175.247 175.328 0.038 0.000 1.169 340 H CA -0.860 55.196 56.048 0.012 0.000 1.227 340 H CB 0.878 30.636 29.762 -0.008 0.000 1.607 340 H HN 0.427 nan 8.280 nan 0.000 0.534 341 E N 1.229 121.519 120.200 0.149 0.000 2.652 341 E HA -0.061 4.288 4.350 -0.001 0.000 0.255 341 E C 0.841 177.496 176.600 0.091 0.000 0.952 341 E CA 1.337 57.799 56.400 0.103 0.000 0.947 341 E CB 0.114 29.847 29.700 0.055 0.000 0.912 341 E HN 0.980 nan 8.360 nan 0.000 0.489 342 G N 4.601 113.449 108.800 0.081 0.000 2.217 342 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.246 342 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.246 342 G C 0.112 175.035 174.900 0.038 0.000 0.990 342 G CA 0.179 45.310 45.100 0.051 0.000 0.627 342 G HN 0.615 nan 8.290 nan 0.000 0.522 343 D N 0.658 121.092 120.400 0.057 0.000 2.443 343 D HA 0.353 4.992 4.640 -0.001 0.000 0.239 343 D C 1.128 177.426 176.300 -0.004 0.000 1.136 343 D CA 0.127 54.141 54.000 0.023 0.000 0.879 343 D CB 0.639 41.470 40.800 0.052 0.000 1.195 343 D HN 0.316 nan 8.370 nan 0.000 0.443 344 L N 1.970 123.149 121.223 -0.073 0.000 2.371 344 L HA 0.284 4.623 4.340 -0.001 0.000 0.272 344 L C -0.212 176.607 176.870 -0.086 0.000 1.124 344 L CA -0.485 54.297 54.840 -0.097 0.000 0.816 344 L CB 1.107 43.041 42.059 -0.210 0.000 1.129 344 L HN 0.027 nan 8.230 nan 0.000 0.448 345 V N 2.531 122.440 119.914 -0.008 0.000 2.588 345 V HA 0.772 4.891 4.120 -0.001 0.000 0.304 345 V C -0.250 175.924 176.094 0.133 0.000 1.042 345 V CA -0.563 61.774 62.300 0.061 0.000 0.877 345 V CB 1.677 33.599 31.823 0.164 0.000 0.996 345 V HN 0.860 nan 8.190 nan 0.000 0.425 346 A N 3.305 126.121 122.820 -0.006 0.000 2.435 346 A HA 1.024 5.343 4.320 -0.001 0.000 0.304 346 A C -0.396 176.887 177.584 -0.501 0.000 1.064 346 A CA -0.211 51.746 52.037 -0.133 0.000 0.727 346 A CB 1.935 20.893 19.000 -0.070 0.000 1.284 346 A HN 1.429 nan 8.150 nan 0.000 0.415 347 A N 0.264 122.543 122.820 -0.901 0.000 2.350 347 A HA 0.881 5.200 4.320 -0.001 0.000 0.318 347 A C -0.087 177.331 177.584 -0.277 0.000 1.132 347 A CA -0.234 51.336 52.037 -0.779 0.000 0.811 347 A CB 1.424 19.585 19.000 -1.399 0.000 1.313 347 A HN 1.780 nan 8.150 nan 0.000 0.454 348 S N 0.760 116.387 115.700 -0.122 0.000 2.789 348 S HA 0.549 5.018 4.470 -0.001 0.000 0.286 348 S C -2.340 172.264 174.600 0.006 0.000 1.153 348 S CA -1.266 56.921 58.200 -0.020 0.000 1.084 348 S CB 1.275 64.472 63.200 -0.006 0.000 1.036 348 S HN 0.321 nan 8.310 nan 0.000 0.484 349 P HA -0.024 nan 4.420 nan 0.000 0.217 349 P C 1.481 178.727 177.300 -0.090 0.000 1.150 349 P CA 1.297 64.370 63.100 -0.045 0.000 0.832 349 P CB 0.123 31.775 31.700 -0.081 0.000 0.787 350 A N -0.325 122.452 122.820 -0.071 0.000 1.892 350 A HA -0.208 4.111 4.320 -0.001 0.000 0.218 350 A C 2.056 179.598 177.584 -0.070 0.000 1.188 350 A CA 1.789 53.770 52.037 -0.093 0.000 0.631 350 A CB -1.473 17.470 19.000 -0.094 0.000 0.822 350 A HN 0.043 nan 8.150 nan 0.000 0.447 351 I N -0.486 120.063 120.570 -0.035 0.000 2.277 351 I HA -0.070 4.099 4.170 -0.001 0.000 0.243 351 I C 2.560 178.696 176.117 0.032 0.000 1.094 351 I CA 1.457 62.756 61.300 -0.001 0.000 1.393 351 I CB -1.633 36.370 38.000 0.004 0.000 1.078 351 I HN 0.197 nan 8.210 nan 0.000 0.417 352 S N 1.571 117.299 115.700 0.047 0.000 2.382 352 S HA -0.139 4.330 4.470 -0.001 0.000 0.228 352 S C 1.604 176.303 174.600 0.165 0.000 1.027 352 S CA 1.116 59.390 58.200 0.125 0.000 0.991 352 S CB -0.328 62.966 63.200 0.157 0.000 0.823 352 S HN 0.437 nan 8.310 nan 0.000 0.469 353 N N 1.057 119.740 118.700 -0.027 0.000 2.573 353 N HA 0.018 4.757 4.740 -0.001 0.000 0.187 353 N C 0.918 176.260 175.510 -0.280 0.000 1.107 353 N CA 0.575 53.457 53.050 -0.280 0.000 0.918 353 N CB -0.008 38.237 38.487 -0.404 0.000 0.966 353 N HN 0.389 nan 8.380 nan 0.000 0.448 354 R N -0.261 120.232 120.500 -0.012 0.000 2.577 354 R HA 0.318 4.658 4.340 -0.001 0.000 0.344 354 R C -0.204 176.163 176.300 0.112 0.000 1.037 354 R CA -0.276 55.826 56.100 0.003 0.000 1.102 354 R CB 0.707 30.975 30.300 -0.053 0.000 1.313 354 R HN 0.109 nan 8.270 nan 0.000 0.561 355 I N 4.286 125.019 120.570 0.272 0.000 2.587 355 I HA -0.003 4.166 4.170 -0.001 0.000 0.284 355 I C -1.135 175.055 176.117 0.122 0.000 1.134 355 I CA -1.335 60.066 61.300 0.169 0.000 1.410 355 I CB 1.009 39.107 38.000 0.162 0.000 1.392 355 I HN -0.129 nan 8.210 nan 0.000 0.545 356 P HA -0.089 nan 4.420 nan 0.000 0.225 356 P C 0.827 178.113 177.300 -0.023 0.000 1.156 356 P CA 1.001 64.103 63.100 0.004 0.000 0.787 356 P CB 0.302 31.995 31.700 -0.012 0.000 0.802 357 E N -0.020 120.161 120.200 -0.032 0.000 2.274 357 E HA -0.110 4.239 4.350 -0.001 0.000 0.194 357 E C 1.292 177.808 176.600 -0.140 0.000 0.996 357 E CA 1.023 57.386 56.400 -0.061 0.000 0.840 357 E CB -0.475 29.204 29.700 -0.035 0.000 0.772 357 E HN 0.272 nan 8.360 nan 0.000 0.491 358 D N -1.282 118.972 120.400 -0.244 0.000 2.379 358 D HA 0.063 4.702 4.640 -0.001 0.000 0.218 358 D C -0.436 175.352 176.300 -0.852 0.000 1.006 358 D CA 0.460 54.108 54.000 -0.588 0.000 0.893 358 D CB 0.382 40.700 40.800 -0.803 0.000 1.019 358 D HN 0.076 nan 8.370 nan 0.000 0.503 359 F N 0.926 120.865 119.950 -0.019 0.000 2.552 359 F HA 0.367 4.894 4.527 -0.001 0.000 0.369 359 F C -2.379 173.376 175.800 -0.075 0.000 1.112 359 F CA -2.703 55.269 58.000 -0.047 0.000 1.129 359 F CB 1.526 40.513 39.000 -0.022 0.000 1.360 359 F HN -0.375 nan 8.300 nan 0.000 0.473 360 P HA -0.006 nan 4.420 nan 0.000 0.261 360 P C -0.338 176.961 177.300 -0.002 0.000 1.173 360 P CA 0.639 63.734 63.100 -0.009 0.000 0.760 360 P CB 0.365 32.046 31.700 -0.032 0.000 0.783 361 D N 2.801 123.193 120.400 -0.013 0.000 2.812 361 D HA -0.135 4.504 4.640 -0.001 0.000 0.237 361 D C -1.413 174.859 176.300 -0.048 0.000 1.162 361 D CA 0.230 54.220 54.000 -0.016 0.000 0.740 361 D CB -0.928 39.874 40.800 0.004 0.000 1.000 361 D HN 0.380 nan 8.370 nan 0.000 0.416 362 P HA -0.137 nan 4.420 nan 0.000 0.226 362 P C 0.953 178.097 177.300 -0.261 0.000 1.153 362 P CA 0.990 63.981 63.100 -0.181 0.000 0.777 362 P CB 0.230 31.793 31.700 -0.229 0.000 0.794 363 H N -0.945 118.140 119.070 0.025 0.000 2.539 363 H HA 0.193 4.749 4.556 -0.001 0.000 0.269 363 H C 0.201 175.557 175.328 0.048 0.000 0.980 363 H CA 0.054 56.112 56.048 0.017 0.000 1.152 363 H CB -0.019 29.758 29.762 0.024 0.000 1.407 363 H HN 0.217 nan 8.280 nan 0.000 0.564 364 D N 0.552 121.025 120.400 0.122 0.000 2.225 364 D HA 0.052 4.691 4.640 -0.001 0.000 0.249 364 D C -0.334 176.035 176.300 0.115 0.000 1.052 364 D CA -0.512 53.569 54.000 0.135 0.000 0.909 364 D CB 1.448 42.303 40.800 0.092 0.000 1.186 364 D HN 0.026 nan 8.370 nan 0.000 0.431 365 F N 2.135 122.073 119.950 -0.020 0.000 2.404 365 F HA 0.296 4.822 4.527 -0.001 0.000 0.359 365 F C -0.564 175.139 175.800 -0.161 0.000 1.134 365 F CA -0.362 57.557 58.000 -0.135 0.000 1.160 365 F CB 0.378 39.171 39.000 -0.346 0.000 1.186 365 F HN -0.035 nan 8.300 nan 0.000 0.526 366 V N 9.327 128.942 119.914 -0.499 0.000 2.465 366 V HA 0.195 4.314 4.120 -0.001 0.000 0.263 366 V C -1.886 173.944 176.094 -0.440 0.000 0.981 366 V CA -0.995 61.081 62.300 -0.373 0.000 0.838 366 V CB 0.921 32.623 31.823 -0.202 0.000 1.068 366 V HN 0.566 nan 8.190 nan 0.000 0.458 367 P HA -0.131 nan 4.420 nan 0.000 0.218 367 P C 1.688 178.907 177.300 -0.136 0.000 1.149 367 P CA 1.556 64.496 63.100 -0.265 0.000 0.817 367 P CB 0.348 31.905 31.700 -0.239 0.000 0.785 368 A N 1.148 123.871 122.820 -0.162 0.000 2.139 368 A HA -0.231 4.088 4.320 -0.001 0.000 0.221 368 A C 2.227 179.684 177.584 -0.212 0.000 1.159 368 A CA 1.558 53.516 52.037 -0.132 0.000 0.662 368 A CB -1.258 17.681 19.000 -0.101 0.000 0.796 368 A HN 0.309 nan 8.150 nan 0.000 0.463 369 R N -2.020 118.249 120.500 -0.384 0.000 2.285 369 R HA -0.091 4.249 4.340 -0.001 0.000 0.213 369 R C 0.629 176.523 176.300 -0.678 0.000 1.068 369 R CA 1.517 57.292 56.100 -0.540 0.000 1.004 369 R CB -0.453 29.470 30.300 -0.629 0.000 0.873 369 R HN 0.522 nan 8.270 nan 0.000 0.467 370 Y N 0.906 121.118 120.300 -0.148 0.000 2.467 370 Y HA 0.337 4.886 4.550 -0.001 0.000 0.250 370 Y C 0.098 175.917 175.900 -0.136 0.000 1.155 370 Y CA -0.807 57.187 58.100 -0.177 0.000 1.249 370 Y CB 0.265 38.600 38.460 -0.208 0.000 1.146 370 Y HN 0.071 nan 8.280 nan 0.000 0.524 371 E N 0.897 121.081 120.200 -0.027 0.000 2.409 371 E HA -0.072 4.277 4.350 -0.001 0.000 0.257 371 E C 1.074 177.649 176.600 -0.041 0.000 1.150 371 E CA -0.251 56.133 56.400 -0.027 0.000 0.942 371 E CB 0.530 30.209 29.700 -0.035 0.000 0.979 371 E HN 0.111 nan 8.360 nan 0.000 0.447 372 Q N 1.498 121.277 119.800 -0.034 0.000 2.173 372 Q HA -0.169 4.170 4.340 -0.001 0.000 0.208 372 Q C -0.847 175.126 176.000 -0.045 0.000 0.989 372 Q CA 2.104 57.885 55.803 -0.038 0.000 0.872 372 Q CB -1.091 27.628 28.738 -0.030 0.000 0.909 372 Q HN 0.404 nan 8.270 nan 0.000 0.420 373 P HA -0.095 nan 4.420 nan 0.000 0.216 373 P C 0.967 178.230 177.300 -0.062 0.000 1.153 373 P CA 1.490 64.560 63.100 -0.049 0.000 0.848 373 P CB -0.119 31.553 31.700 -0.046 0.000 0.787 374 R N -1.364 119.087 120.500 -0.081 0.000 2.123 374 R HA 0.150 4.490 4.340 -0.001 0.000 0.209 374 R C 0.593 176.828 176.300 -0.109 0.000 1.078 374 R CA 0.048 56.086 56.100 -0.103 0.000 1.028 374 R CB -0.415 29.801 30.300 -0.140 0.000 0.939 374 R HN 0.091 nan 8.270 nan 0.000 0.463 375 Q N 0.934 120.671 119.800 -0.104 0.000 2.402 375 Q HA -0.255 4.084 4.340 -0.001 0.000 0.356 375 Q C 0.008 175.942 176.000 -0.110 0.000 1.344 375 Q CA 0.513 56.262 55.803 -0.091 0.000 1.062 375 Q CB -0.900 27.790 28.738 -0.081 0.000 1.268 375 Q HN 0.458 nan 8.270 nan 0.000 0.383 376 E N 0.495 120.603 120.200 -0.154 0.000 2.204 376 E HA -0.204 4.145 4.350 -0.001 0.000 0.194 376 E C 1.473 178.068 176.600 -0.010 0.000 0.989 376 E CA 1.131 57.483 56.400 -0.080 0.000 0.824 376 E CB 0.101 29.766 29.700 -0.059 0.000 0.756 376 E HN 0.650 nan 8.360 nan 0.000 0.477 377 D N 1.004 121.266 120.400 -0.229 0.000 2.097 377 D HA -0.191 4.449 4.640 -0.001 0.000 0.197 377 D C 1.990 178.133 176.300 -0.261 0.000 0.984 377 D CA 0.992 54.565 54.000 -0.710 0.000 0.826 377 D CB -0.601 39.258 40.800 -1.569 0.000 0.973 377 D HN 0.246 nan 8.370 nan 0.000 0.460 378 L N -0.485 120.615 121.223 -0.206 0.000 2.131 378 L HA 0.024 4.363 4.340 -0.001 0.000 0.206 378 L C 2.591 179.399 176.870 -0.102 0.000 1.087 378 L CA 0.401 55.158 54.840 -0.139 0.000 0.767 378 L CB -0.385 41.600 42.059 -0.124 0.000 0.917 378 L HN 0.045 nan 8.230 nan 0.000 0.441 379 L N -0.340 120.832 121.223 -0.084 0.000 2.217 379 L HA 0.016 4.356 4.340 -0.001 0.000 0.211 379 L C 0.950 177.784 176.870 -0.060 0.000 1.107 379 L CA 1.532 56.329 54.840 -0.072 0.000 0.783 379 L CB -0.269 41.744 42.059 -0.077 0.000 0.919 379 L HN 0.207 nan 8.230 nan 0.000 0.442 380 N N 0.898 119.586 118.700 -0.020 0.000 3.228 380 N HA 0.109 4.848 4.740 -0.001 0.000 0.289 380 N C 0.688 176.236 175.510 0.063 0.000 1.419 380 N CA -0.070 52.998 53.050 0.031 0.000 1.088 380 N CB 0.450 38.959 38.487 0.037 0.000 1.357 380 N HN 0.496 nan 8.380 nan 0.000 0.504 381 R N -0.569 119.839 120.500 -0.153 0.000 2.159 381 R HA -0.095 4.245 4.340 -0.001 0.000 0.237 381 R C 0.516 176.507 176.300 -0.515 0.000 1.131 381 R CA 1.119 56.952 56.100 -0.446 0.000 0.982 381 R CB -0.200 29.602 30.300 -0.830 0.000 0.868 381 R HN 0.393 nan 8.270 nan 0.000 0.453 382 W N 0.962 122.355 121.300 0.155 0.000 3.127 382 W HA 0.152 4.811 4.660 -0.001 0.000 0.344 382 W C 1.366 178.020 176.519 0.224 0.000 1.151 382 W CA 0.368 57.820 57.345 0.178 0.000 1.765 382 W CB 0.719 30.301 29.460 0.203 0.000 1.085 382 W HN 0.177 nan 8.180 nan 0.000 0.596 383 T N -5.484 109.316 114.554 0.410 0.000 2.955 383 T HA 0.021 4.370 4.350 -0.001 0.000 0.251 383 T C 0.095 175.092 174.700 0.495 0.000 1.002 383 T CA -0.307 62.048 62.100 0.426 0.000 0.970 383 T CB -0.391 68.713 68.868 0.393 0.000 1.091 383 T HN 0.011 nan 8.240 nan 0.000 0.495 384 W N 4.147 125.666 121.300 0.365 0.000 2.430 384 W HA 0.521 5.180 4.660 -0.001 0.000 0.380 384 W C 0.161 176.702 176.519 0.037 0.000 1.045 384 W CA -1.562 55.897 57.345 0.190 0.000 1.547 384 W CB 0.033 29.638 29.460 0.243 0.000 1.554 384 W HN 0.401 nan 8.180 nan 0.000 0.378 385 I N 4.816 125.209 120.570 -0.295 0.000 3.241 385 I HA 0.328 4.497 4.170 -0.001 0.000 0.333 385 I C -1.591 174.303 176.117 -0.372 0.000 1.534 385 I CA -1.561 59.593 61.300 -0.244 0.000 0.979 385 I CB 0.679 38.647 38.000 -0.055 0.000 1.497 385 I HN 0.001 nan 8.210 nan 0.000 0.530 386 P HA -0.057 nan 4.420 nan 0.000 0.223 386 P C 0.672 177.625 177.300 -0.579 0.000 1.151 386 P CA 1.263 63.938 63.100 -0.708 0.000 0.787 386 P CB -0.013 31.065 31.700 -1.037 0.000 0.788 387 F N -0.088 119.714 119.950 -0.246 0.000 2.772 387 F HA 0.461 4.987 4.527 -0.001 0.000 0.302 387 F C 1.709 177.476 175.800 -0.055 0.000 1.136 387 F CA 0.091 58.037 58.000 -0.090 0.000 1.322 387 F CB -0.276 38.701 39.000 -0.039 0.000 0.967 387 F HN 0.022 nan 8.300 nan 0.000 0.513 388 G N 1.133 109.958 108.800 0.041 0.000 2.645 388 G HA2 0.195 4.154 3.960 -0.001 0.000 0.246 388 G HA3 0.195 4.154 3.960 -0.001 0.000 0.246 388 G C -0.440 174.250 174.900 -0.350 0.000 1.322 388 G CA -0.288 44.764 45.100 -0.080 0.000 0.898 388 G HN 1.064 nan 8.290 nan 0.000 0.573 389 A N -2.689 119.827 122.820 -0.508 0.000 2.540 389 A HA 1.039 5.358 4.320 -0.001 0.000 0.291 389 A C 1.422 179.051 177.584 0.075 0.000 1.083 389 A CA 1.194 53.030 52.037 -0.336 0.000 0.650 389 A CB 0.491 19.174 19.000 -0.529 0.000 1.292 389 A HN 3.061 nan 8.150 nan 0.000 0.435 390 G N -0.422 108.495 108.800 0.196 0.000 2.672 390 G HA2 -0.017 3.943 3.960 -0.001 0.000 0.324 390 G HA3 -0.017 3.943 3.960 -0.001 0.000 0.324 390 G C 1.331 176.322 174.900 0.153 0.000 1.286 390 G CA 3.159 48.449 45.100 0.316 0.000 1.004 390 G HN 2.427 nan 8.290 nan 0.000 0.548 391 R N -0.833 119.718 120.500 0.084 0.000 2.200 391 R HA -0.052 4.287 4.340 -0.001 0.000 0.234 391 R C 2.064 178.170 176.300 -0.323 0.000 1.127 391 R CA 2.572 58.559 56.100 -0.188 0.000 0.989 391 R CB -0.943 29.133 30.300 -0.373 0.000 0.869 391 R HN 0.893 nan 8.270 nan 0.000 0.459 392 H N -0.711 118.465 119.070 0.175 0.000 2.475 392 H HA 0.231 4.786 4.556 -0.001 0.000 0.276 392 H C -0.196 175.227 175.328 0.159 0.000 1.126 392 H CA -0.793 55.359 56.048 0.173 0.000 1.023 392 H CB 0.216 30.120 29.762 0.236 0.000 1.669 392 H HN 0.205 nan 8.280 nan 0.000 0.573 393 R N 1.462 122.058 120.500 0.159 0.000 2.585 393 R HA -0.051 4.288 4.340 -0.001 0.000 0.275 393 R C -0.200 176.161 176.300 0.101 0.000 1.018 393 R CA -0.105 56.056 56.100 0.102 0.000 1.072 393 R CB -0.408 29.914 30.300 0.037 0.000 0.953 393 R HN 0.333 nan 8.270 nan 0.000 0.419 394 C N 6.434 125.805 119.300 0.118 0.000 2.601 394 C HA 0.055 4.514 4.460 -0.001 0.000 0.405 394 C C 2.171 177.161 174.990 -0.001 0.000 1.441 394 C CA 0.029 59.107 59.018 0.100 0.000 1.555 394 C CB -1.409 26.441 27.740 0.184 0.000 2.450 394 C HN 0.730 nan 8.230 nan 0.000 0.614 395 V N 4.587 124.513 119.914 0.019 0.000 2.970 395 V HA 0.161 4.281 4.120 -0.001 0.000 0.260 395 V C 1.767 177.844 176.094 -0.029 0.000 1.100 395 V CA 2.043 64.338 62.300 -0.010 0.000 1.122 395 V CB -0.932 30.893 31.823 0.002 0.000 0.721 395 V HN 0.981 nan 8.190 nan 0.000 0.483 396 G N -1.005 107.783 108.800 -0.020 0.000 3.088 396 G HA2 0.361 4.321 3.960 -0.001 0.000 0.217 396 G HA3 0.361 4.321 3.960 -0.001 0.000 0.217 396 G C 1.437 176.315 174.900 -0.037 0.000 1.159 396 G CA 0.562 45.664 45.100 0.003 0.000 0.760 396 G HN 0.723 nan 8.290 nan 0.000 0.550 397 A N 1.418 124.076 122.820 -0.271 0.000 1.883 397 A HA 0.191 4.511 4.320 -0.001 0.000 0.217 397 A C 2.773 180.134 177.584 -0.373 0.000 1.186 397 A CA 2.202 53.795 52.037 -0.740 0.000 0.624 397 A CB -0.723 17.506 19.000 -1.285 0.000 0.822 397 A HN 0.687 nan 8.150 nan 0.000 0.444 398 A N -1.223 121.483 122.820 -0.189 0.000 1.902 398 A HA -0.081 4.238 4.320 -0.001 0.000 0.217 398 A C 2.092 179.680 177.584 0.007 0.000 1.181 398 A CA 1.668 53.656 52.037 -0.081 0.000 0.623 398 A CB -0.758 18.219 19.000 -0.039 0.000 0.818 398 A HN 0.730 nan 8.150 nan 0.000 0.443 399 F N 0.917 120.824 119.950 -0.072 0.000 2.102 399 F HA -0.075 4.452 4.527 -0.001 0.000 0.298 399 F C 2.509 178.299 175.800 -0.016 0.000 1.105 399 F CA 1.453 59.437 58.000 -0.028 0.000 1.239 399 F CB -0.344 38.640 39.000 -0.028 0.000 0.991 399 F HN 0.246 nan 8.300 nan 0.000 0.474 400 A N 0.659 123.554 122.820 0.125 0.000 1.933 400 A HA -0.132 4.188 4.320 -0.001 0.000 0.218 400 A C 2.258 179.846 177.584 0.007 0.000 1.175 400 A CA 1.915 54.000 52.037 0.080 0.000 0.628 400 A CB -1.171 17.968 19.000 0.232 0.000 0.814 400 A HN 0.528 nan 8.150 nan 0.000 0.444 401 I N -0.883 119.688 120.570 0.002 0.000 2.202 401 I HA -0.255 3.914 4.170 -0.001 0.000 0.242 401 I C 2.730 178.827 176.117 -0.033 0.000 1.091 401 I CA 1.533 62.842 61.300 0.014 0.000 1.368 401 I CB -0.338 37.661 38.000 -0.002 0.000 1.058 401 I HN 0.392 nan 8.210 nan 0.000 0.410 402 M N 0.830 120.378 119.600 -0.087 0.000 2.106 402 M HA -0.303 4.176 4.480 -0.001 0.000 0.259 402 M C 2.318 178.531 176.300 -0.145 0.000 1.068 402 M CA 2.037 57.273 55.300 -0.107 0.000 1.100 402 M CB -0.717 31.802 32.600 -0.136 0.000 1.351 402 M HN 0.334 nan 8.290 nan 0.000 0.404 403 Q N -0.090 119.544 119.800 -0.276 0.000 2.079 403 Q HA -0.156 4.183 4.340 -0.001 0.000 0.200 403 Q C 1.946 177.906 176.000 -0.067 0.000 0.974 403 Q CA 1.496 57.139 55.803 -0.266 0.000 0.840 403 Q CB -0.054 28.427 28.738 -0.428 0.000 0.898 403 Q HN 0.520 nan 8.270 nan 0.000 0.430 404 I N 1.164 121.739 120.570 0.009 0.000 2.226 404 I HA -0.275 3.894 4.170 -0.001 0.000 0.245 404 I C 2.156 178.413 176.117 0.233 0.000 1.100 404 I CA 1.562 62.962 61.300 0.167 0.000 1.374 404 I CB -0.858 37.222 38.000 0.135 0.000 1.057 404 I HN 0.296 nan 8.210 nan 0.000 0.413 405 K N 0.731 121.204 120.400 0.122 0.000 2.057 405 K HA -0.135 4.184 4.320 -0.001 0.000 0.207 405 K C 2.229 178.923 176.600 0.156 0.000 1.049 405 K CA 1.601 57.974 56.287 0.144 0.000 0.931 405 K CB -0.163 32.392 32.500 0.092 0.000 0.714 405 K HN 0.289 nan 8.250 nan 0.000 0.440 406 A N 1.533 124.404 122.820 0.085 0.000 1.873 406 A HA -0.138 4.182 4.320 -0.001 0.000 0.215 406 A C 2.131 179.740 177.584 0.040 0.000 1.186 406 A CA 1.219 53.299 52.037 0.070 0.000 0.616 406 A CB -0.583 18.427 19.000 0.017 0.000 0.823 406 A HN 0.160 nan 8.150 nan 0.000 0.442 407 I N -1.710 118.860 120.570 0.000 0.000 2.127 407 I HA -0.281 3.888 4.170 -0.001 0.000 0.241 407 I C 2.242 178.250 176.117 -0.180 0.000 1.075 407 I CA 1.683 62.913 61.300 -0.117 0.000 1.334 407 I CB -0.436 37.438 38.000 -0.210 0.000 1.040 407 I HN 0.323 nan 8.210 nan 0.000 0.405 408 F N 0.370 120.357 119.950 0.061 0.000 2.325 408 F HA -0.103 4.423 4.527 -0.001 0.000 0.299 408 F C 2.706 178.549 175.800 0.071 0.000 1.090 408 F CA 0.799 58.838 58.000 0.064 0.000 1.392 408 F CB -0.549 38.466 39.000 0.025 0.000 1.053 408 F HN -0.070 nan 8.300 nan 0.000 0.521 409 S N -0.101 115.712 115.700 0.189 0.000 2.383 409 S HA -0.146 4.324 4.470 -0.001 0.000 0.229 409 S C 2.206 176.772 174.600 -0.057 0.000 1.030 409 S CA 1.308 59.554 58.200 0.077 0.000 1.002 409 S CB -0.380 62.896 63.200 0.126 0.000 0.829 409 S HN 0.146 nan 8.310 nan 0.000 0.467 410 V N 1.624 121.523 119.914 -0.025 0.000 2.300 410 V HA -0.020 4.100 4.120 -0.001 0.000 0.241 410 V C 2.153 178.268 176.094 0.035 0.000 1.034 410 V CA 1.200 63.474 62.300 -0.044 0.000 1.021 410 V CB -0.701 31.090 31.823 -0.054 0.000 0.662 410 V HN 0.385 nan 8.190 nan 0.000 0.458 411 L N -0.279 120.980 121.223 0.060 0.000 2.012 411 L HA -0.185 4.154 4.340 -0.001 0.000 0.210 411 L C 2.360 179.494 176.870 0.440 0.000 1.073 411 L CA 1.617 56.596 54.840 0.232 0.000 0.748 411 L CB -0.562 41.561 42.059 0.107 0.000 0.891 411 L HN 0.305 nan 8.230 nan 0.000 0.431 412 L N -0.971 120.475 121.223 0.372 0.000 2.395 412 L HA -0.072 4.267 4.340 -0.001 0.000 0.218 412 L C 2.581 179.618 176.870 0.278 0.000 1.130 412 L CA 0.639 55.740 54.840 0.435 0.000 0.826 412 L CB -0.373 41.926 42.059 0.399 0.000 0.941 412 L HN 0.215 nan 8.230 nan 0.000 0.451 413 R N -0.419 120.167 120.500 0.144 0.000 2.173 413 R HA -0.023 4.316 4.340 -0.001 0.000 0.208 413 R C 1.866 178.164 176.300 -0.002 0.000 1.035 413 R CA 0.484 56.609 56.100 0.042 0.000 1.004 413 R CB 0.208 30.469 30.300 -0.065 0.000 0.917 413 R HN 0.310 nan 8.270 nan 0.000 0.462 414 E N -0.507 119.698 120.200 0.008 0.000 2.166 414 E HA 0.033 4.382 4.350 -0.001 0.000 0.192 414 E C -0.081 176.295 176.600 -0.375 0.000 0.967 414 E CA 0.899 57.197 56.400 -0.170 0.000 0.840 414 E CB 0.290 29.921 29.700 -0.115 0.000 0.795 414 E HN 0.175 nan 8.360 nan 0.000 0.470 415 Y N 0.559 120.885 120.300 0.044 0.000 2.536 415 Y HA 0.270 4.820 4.550 -0.001 0.000 0.347 415 Y C 0.258 176.074 175.900 -0.141 0.000 1.000 415 Y CA -0.942 57.098 58.100 -0.099 0.000 1.051 415 Y CB 1.597 39.903 38.460 -0.256 0.000 1.259 415 Y HN -0.251 nan 8.280 nan 0.000 0.468 416 E N 2.240 122.412 120.200 -0.047 0.000 2.216 416 E HA 0.392 4.741 4.350 -0.001 0.000 0.279 416 E C -1.609 174.872 176.600 -0.198 0.000 0.997 416 E CA -0.531 55.873 56.400 0.006 0.000 0.817 416 E CB 1.565 31.264 29.700 -0.001 0.000 1.096 416 E HN 0.340 nan 8.360 nan 0.000 0.393 417 F N 1.136 121.300 119.950 0.357 0.000 2.508 417 F HA 0.350 4.877 4.527 -0.001 0.000 0.325 417 F C 0.543 176.471 175.800 0.214 0.000 1.090 417 F CA -0.691 57.471 58.000 0.270 0.000 0.945 417 F CB 1.750 40.911 39.000 0.267 0.000 1.156 417 F HN 0.244 nan 8.300 nan 0.000 0.463 418 E N 2.578 122.941 120.200 0.272 0.000 2.340 418 E HA 0.430 4.780 4.350 -0.001 0.000 0.273 418 E C -1.113 175.576 176.600 0.148 0.000 0.891 418 E CA -1.076 55.427 56.400 0.172 0.000 0.757 418 E CB 2.908 32.657 29.700 0.080 0.000 1.231 418 E HN 0.521 nan 8.360 nan 0.000 0.439 419 M N 1.248 120.928 119.600 0.134 0.000 2.228 419 M HA 0.158 4.637 4.480 -0.001 0.000 0.351 419 M C 0.600 176.973 176.300 0.122 0.000 1.233 419 M CA 0.300 55.706 55.300 0.177 0.000 1.129 419 M CB 0.704 33.441 32.600 0.229 0.000 1.604 419 M HN 0.694 nan 8.290 nan 0.000 0.457 420 A N 3.269 126.159 122.820 0.117 0.000 2.387 420 A HA 0.173 4.492 4.320 -0.001 0.000 0.234 420 A C 0.174 177.746 177.584 -0.019 0.000 1.253 420 A CA -0.036 52.015 52.037 0.024 0.000 0.894 420 A CB 0.083 19.076 19.000 -0.011 0.000 0.963 420 A HN 0.848 nan 8.150 nan 0.000 0.508 421 Q N -1.343 118.443 119.800 -0.024 0.000 2.565 421 Q HA 0.568 4.908 4.340 -0.001 0.000 0.294 421 Q C -3.230 172.716 176.000 -0.090 0.000 1.005 421 Q CA -2.309 53.417 55.803 -0.128 0.000 0.771 421 Q CB 0.739 29.302 28.738 -0.292 0.000 1.486 421 Q HN -0.050 nan 8.270 nan 0.000 0.422 422 P HA 0.075 nan 4.420 nan 0.000 0.268 422 P C -2.011 175.305 177.300 0.026 0.000 1.205 422 P CA -0.871 62.214 63.100 -0.026 0.000 0.771 422 P CB 0.275 31.953 31.700 -0.036 0.000 0.858 423 P HA -0.162 nan 4.420 nan 0.000 0.218 423 P C 0.805 178.250 177.300 0.242 0.000 1.149 423 P CA 1.576 64.813 63.100 0.228 0.000 0.817 423 P CB 0.067 31.828 31.700 0.102 0.000 0.785 424 E N -0.101 120.176 120.200 0.129 0.000 2.511 424 E HA -0.028 4.321 4.350 -0.001 0.000 0.196 424 E C 1.732 178.397 176.600 0.108 0.000 1.066 424 E CA 0.735 57.212 56.400 0.128 0.000 0.871 424 E CB -0.614 29.134 29.700 0.079 0.000 0.863 424 E HN 0.416 nan 8.360 nan 0.000 0.520 425 S N -0.827 114.885 115.700 0.020 0.000 2.548 425 S HA 0.015 4.484 4.470 -0.001 0.000 0.215 425 S C 0.602 175.128 174.600 -0.123 0.000 0.976 425 S CA -0.401 57.751 58.200 -0.081 0.000 0.908 425 S CB -0.407 62.682 63.200 -0.185 0.000 0.781 425 S HN 0.068 nan 8.310 nan 0.000 0.519 426 Y N 3.685 123.997 120.300 0.020 0.000 2.442 426 Y HA 0.477 5.026 4.550 -0.001 0.000 0.330 426 Y C 0.945 176.934 175.900 0.149 0.000 1.129 426 Y CA -0.332 57.745 58.100 -0.038 0.000 1.365 426 Y CB 0.591 38.938 38.460 -0.188 0.000 1.233 426 Y HN 0.371 nan 8.280 nan 0.000 0.529 427 R N 1.025 121.687 120.500 0.269 0.000 2.712 427 R HA 0.473 4.812 4.340 -0.001 0.000 0.272 427 R C -1.819 174.680 176.300 0.331 0.000 1.032 427 R CA -1.103 55.233 56.100 0.394 0.000 0.874 427 R CB 1.004 31.436 30.300 0.220 0.000 1.256 427 R HN 0.405 nan 8.270 nan 0.000 0.468 428 N N 0.527 119.420 118.700 0.321 0.000 2.492 428 N HA 0.144 4.883 4.740 -0.001 0.000 0.289 428 N C -1.359 174.088 175.510 -0.105 0.000 1.133 428 N CA -0.284 52.807 53.050 0.069 0.000 0.961 428 N CB 1.252 39.625 38.487 -0.190 0.000 1.186 428 N HN 0.547 nan 8.380 nan 0.000 0.493 429 D N 0.181 120.494 120.400 -0.144 0.000 2.313 429 D HA 0.112 4.751 4.640 -0.001 0.000 0.239 429 D C -0.253 175.901 176.300 -0.243 0.000 1.142 429 D CA 0.030 53.956 54.000 -0.125 0.000 0.847 429 D CB 0.191 40.965 40.800 -0.043 0.000 1.082 429 D HN 0.481 nan 8.370 nan 0.000 0.480 430 H N 0.792 119.858 119.070 -0.007 0.000 2.505 430 H HA 0.085 4.640 4.556 -0.001 0.000 0.286 430 H C 1.706 176.965 175.328 -0.114 0.000 1.072 430 H CA 0.122 56.135 56.048 -0.058 0.000 1.141 430 H CB 0.704 30.424 29.762 -0.069 0.000 1.550 430 H HN 0.320 nan 8.280 nan 0.000 0.547 431 S N -0.181 115.511 115.700 -0.013 0.000 2.522 431 S HA 0.020 4.489 4.470 -0.001 0.000 0.227 431 S C 0.796 175.339 174.600 -0.095 0.000 0.986 431 S CA 0.179 58.344 58.200 -0.058 0.000 0.929 431 S CB 0.260 63.433 63.200 -0.046 0.000 0.769 431 S HN 0.060 nan 8.310 nan 0.000 0.529 432 K N 0.308 120.654 120.400 -0.090 0.000 2.281 432 K HA 0.445 4.764 4.320 -0.001 0.000 0.242 432 K C 0.798 177.332 176.600 -0.110 0.000 0.971 432 K CA -0.951 55.271 56.287 -0.109 0.000 0.834 432 K CB 0.759 33.203 32.500 -0.093 0.000 1.181 432 K HN 0.020 nan 8.250 nan 0.000 0.435 433 M N 0.300 119.820 119.600 -0.133 0.000 2.279 433 M HA -0.038 4.441 4.480 -0.001 0.000 0.264 433 M C 0.633 176.950 176.300 0.028 0.000 1.062 433 M CA 1.030 56.298 55.300 -0.053 0.000 1.099 433 M CB -0.280 32.255 32.600 -0.109 0.000 1.394 433 M HN 0.160 nan 8.290 nan 0.000 0.426 434 V N 2.076 121.964 119.914 -0.042 0.000 2.389 434 V HA 0.111 4.230 4.120 -0.001 0.000 0.264 434 V C 0.295 176.323 176.094 -0.110 0.000 1.049 434 V CA -0.619 61.574 62.300 -0.178 0.000 0.932 434 V CB 0.927 32.569 31.823 -0.301 0.000 1.011 434 V HN -0.075 nan 8.190 nan 0.000 0.475 435 V N 6.413 126.331 119.914 0.007 0.000 2.637 435 V HA 0.262 4.381 4.120 -0.001 0.000 0.296 435 V C 0.196 176.328 176.094 0.062 0.000 1.046 435 V CA -0.200 62.125 62.300 0.041 0.000 1.066 435 V CB 1.080 32.977 31.823 0.124 0.000 0.968 435 V HN 0.835 nan 8.190 nan 0.000 0.483 436 Q N 2.570 122.378 119.800 0.013 0.000 2.397 436 Q HA 0.469 4.808 4.340 -0.001 0.000 0.275 436 Q C -0.873 175.167 176.000 0.066 0.000 1.090 436 Q CA -1.174 54.676 55.803 0.078 0.000 0.809 436 Q CB 2.933 31.736 28.738 0.110 0.000 1.362 436 Q HN 0.607 nan 8.270 nan 0.000 0.431 437 L N 1.594 122.874 121.223 0.095 0.000 2.525 437 L HA 0.231 4.571 4.340 -0.001 0.000 0.278 437 L C -0.260 176.633 176.870 0.039 0.000 1.218 437 L CA 0.533 55.405 54.840 0.054 0.000 0.878 437 L CB 0.460 42.488 42.059 -0.051 0.000 1.127 437 L HN 0.790 nan 8.230 nan 0.000 0.492 438 A N 4.984 127.822 122.820 0.031 0.000 2.287 438 A HA 0.517 4.836 4.320 -0.001 0.000 0.273 438 A C -0.351 177.232 177.584 -0.001 0.000 1.091 438 A CA -0.376 51.672 52.037 0.019 0.000 0.817 438 A CB 0.337 19.350 19.000 0.021 0.000 1.069 438 A HN 0.798 nan 8.150 nan 0.000 0.492 439 Q N 0.704 120.500 119.800 -0.006 0.000 2.306 439 Q HA 0.494 4.833 4.340 -0.001 0.000 0.265 439 Q C -2.255 173.719 176.000 -0.044 0.000 1.022 439 Q CA -1.770 54.018 55.803 -0.025 0.000 0.853 439 Q CB 1.228 29.956 28.738 -0.017 0.000 1.327 439 Q HN 0.671 nan 8.270 nan 0.000 0.449 440 P HA 0.247 nan 4.420 nan 0.000 0.274 440 P C -1.431 175.804 177.300 -0.108 0.000 1.231 440 P CA -0.393 62.656 63.100 -0.084 0.000 0.790 440 P CB 0.824 32.459 31.700 -0.109 0.000 0.951 441 A N 0.992 123.786 122.820 -0.044 0.000 3.317 441 A HA 0.588 4.907 4.320 -0.001 0.000 0.307 441 A C 0.077 177.742 177.584 0.134 0.000 1.003 441 A CA -0.480 51.600 52.037 0.072 0.000 0.882 441 A CB -0.153 18.896 19.000 0.081 0.000 1.136 441 A HN 0.670 nan 8.150 nan 0.000 0.488 442 A N 0.552 123.410 122.820 0.063 0.000 2.328 442 A HA 0.715 5.034 4.320 -0.001 0.000 0.284 442 A C -0.368 177.286 177.584 0.117 0.000 1.160 442 A CA -0.222 51.839 52.037 0.041 0.000 0.818 442 A CB 0.655 19.635 19.000 -0.033 0.000 1.087 442 A HN 0.960 nan 8.150 nan 0.000 0.504 443 V N 3.609 123.558 119.914 0.058 0.000 2.808 443 V HA 0.427 4.547 4.120 -0.001 0.000 0.308 443 V C -0.112 175.986 176.094 0.007 0.000 1.099 443 V CA -0.716 61.633 62.300 0.083 0.000 0.920 443 V CB 2.027 33.912 31.823 0.103 0.000 1.014 443 V HN 1.024 nan 8.190 nan 0.000 0.425 444 R N 2.691 123.189 120.500 -0.004 0.000 2.486 444 R HA 0.678 5.017 4.340 -0.001 0.000 0.286 444 R C -1.307 174.918 176.300 -0.125 0.000 0.999 444 R CA -0.542 55.461 56.100 -0.162 0.000 0.993 444 R CB 1.766 31.958 30.300 -0.180 0.000 1.084 444 R HN 0.786 nan 8.270 nan 0.000 0.487 445 Y N -1.087 119.025 120.300 -0.314 0.000 2.570 445 Y HA 0.725 5.274 4.550 -0.002 0.000 0.345 445 Y C -0.678 175.092 175.900 -0.216 0.000 1.014 445 Y CA -1.515 56.320 58.100 -0.441 0.000 1.063 445 Y CB 1.505 39.471 38.460 -0.825 0.000 1.272 445 Y HN 0.490 nan 8.280 nan 0.000 0.477 446 R N 1.688 122.267 120.500 0.133 0.000 2.566 446 R HA 0.425 4.765 4.340 -0.001 0.000 0.271 446 R C -1.198 175.241 176.300 0.232 0.000 1.071 446 R CA -0.850 55.352 56.100 0.169 0.000 0.915 446 R CB 1.681 31.982 30.300 0.001 0.000 1.228 446 R HN 0.963 nan 8.270 nan 0.000 0.449 447 R N 2.815 123.405 120.500 0.150 0.000 2.585 447 R HA 0.055 4.394 4.340 -0.001 0.000 0.275 447 R C -0.074 176.138 176.300 -0.146 0.000 1.018 447 R CA 0.390 56.361 56.100 -0.215 0.000 1.072 447 R CB 0.482 30.669 30.300 -0.189 0.000 0.953 447 R HN 0.420 nan 8.270 nan 0.000 0.419 448 R N 1.168 121.548 120.500 -0.200 0.000 2.438 448 R HA 0.051 4.391 4.340 -0.001 0.000 0.287 448 R C 0.562 176.806 176.300 -0.093 0.000 1.077 448 R CA 0.094 56.132 56.100 -0.103 0.000 1.034 448 R CB 0.966 31.221 30.300 -0.075 0.000 0.993 448 R HN 0.654 nan 8.270 nan 0.000 0.459 449 T N 0.023 114.541 114.554 -0.059 0.000 2.813 449 T HA 0.504 4.854 4.350 -0.001 0.000 0.188 449 T C 0.573 175.251 174.700 -0.036 0.000 0.698 449 T CA -0.020 62.051 62.100 -0.047 0.000 2.089 449 T CB 0.325 69.172 68.868 -0.035 0.000 2.834 449 T HN 0.744 nan 8.240 nan 0.000 0.370 450 G N 0.000 108.784 108.800 -0.026 0.000 5.446 450 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 450 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 450 G CA 0.000 nan 45.100 nan 0.000 0.502 450 G HN 0.000 nan 8.290 nan 0.000 0.925