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 2hxg_1_B DATA FIRST_RESID 1 DATA SEQUENCE MTIFDNYEVW FVIGSQHLYG PETLRQVTQH AEHVVNALNT EAKLPCKLVL DATA SEQUENCE KPLGTTPDEI TAICRDANYD DPCAGLVVWL HTFSPAKMWI NGLTMLNKPL DATA SEQUENCE LQFHTQFNAA LPWDSIDMDF MNLNQTAHGG REFGFIGARM RQQHAVVTGH DATA SEQUENCE WQDKQAHERI GSWMRQAVSK QDTRHLKVCR FGDNMREVAV TDGDKVAAQI DATA SEQUENCE KFGFSVNTWA VGDLVQVVNS ISDGDVNALV DEYESCYTMT PATQIHGEKR DATA SEQUENCE QNVLEAARIE LGMKRFLEQG GFHAFTTTFE DLHGLKQLPG LAVQRLMQQG DATA SEQUENCE YGFAGEGDWK TAALLRIMKV MSTGLQGGTS FMEDYTYHFE KGNDLVLGSH DATA SEQUENCE MLEVCPSIAV EEKPILDVQH LGIGGKDDPA RLIFNTQTGP AIVASLIDLG DATA SEQUENCE DRYRLLVNCI DTVKTPHSLP KLPVANALWK AQPDLPTASE AWILAGGAHH DATA SEQUENCE TVFSHALNLN DMRQFAEMHD IEITVIDNDT RLPAFKDALR WNEVYYGF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.331 176.300 0.051 0.000 1.140 1 M CA 0.000 55.323 55.300 0.038 0.000 0.988 1 M CB 0.000 32.618 32.600 0.030 0.000 1.302 2 T N 2.306 116.909 114.554 0.083 0.000 2.849 2 T HA 0.290 4.640 4.350 0.001 0.000 0.284 2 T C 1.497 176.264 174.700 0.112 0.000 1.004 2 T CA -0.336 61.828 62.100 0.107 0.000 1.021 2 T CB 0.816 69.793 68.868 0.181 0.000 1.013 2 T HN 0.339 nan 8.240 nan 0.000 0.527 3 I N 1.515 122.124 120.570 0.065 0.000 2.567 3 I HA -0.044 4.127 4.170 0.001 0.000 0.257 3 I C 1.665 177.857 176.117 0.125 0.000 1.184 3 I CA 1.569 62.899 61.300 0.049 0.000 1.451 3 I CB -1.664 36.332 38.000 -0.007 0.000 1.089 3 I HN 0.656 nan 8.210 nan 0.000 0.441 4 F N 2.400 122.438 119.950 0.147 0.000 2.161 4 F HA -0.209 4.318 4.527 0.001 0.000 0.300 4 F C 2.040 177.940 175.800 0.168 0.000 1.089 4 F CA 1.780 59.873 58.000 0.156 0.000 1.282 4 F CB -0.362 38.682 39.000 0.074 0.000 1.010 4 F HN 0.162 nan 8.300 nan 0.000 0.485 5 D N -0.582 119.986 120.400 0.280 0.000 2.348 5 D HA -0.119 4.521 4.640 0.001 0.000 0.216 5 D C 0.946 177.311 176.300 0.108 0.000 0.970 5 D CA 0.836 54.938 54.000 0.170 0.000 0.889 5 D CB -0.735 40.132 40.800 0.111 0.000 0.912 5 D HN 0.435 nan 8.370 nan 0.000 0.524 6 N N -0.972 117.776 118.700 0.080 0.000 2.370 6 N HA 0.045 4.786 4.740 0.001 0.000 0.198 6 N C -0.594 174.732 175.510 -0.307 0.000 1.156 6 N CA -0.017 52.962 53.050 -0.117 0.000 0.839 6 N CB 0.336 38.688 38.487 -0.224 0.000 0.989 6 N HN 0.145 nan 8.380 nan 0.000 0.468 7 Y N 0.406 120.755 120.300 0.082 0.000 2.581 7 Y HA 0.343 4.894 4.550 0.001 0.000 0.345 7 Y C -0.519 175.474 175.900 0.156 0.000 1.036 7 Y CA -1.241 56.924 58.100 0.108 0.000 1.042 7 Y CB 1.537 40.050 38.460 0.090 0.000 1.289 7 Y HN -0.077 nan 8.280 nan 0.000 0.471 8 E N 0.407 120.831 120.200 0.374 0.000 2.356 8 E HA 0.610 4.961 4.350 0.001 0.000 0.275 8 E C -1.819 175.037 176.600 0.427 0.000 0.904 8 E CA -0.986 55.623 56.400 0.347 0.000 0.757 8 E CB 2.687 32.565 29.700 0.297 0.000 1.232 8 E HN 0.290 nan 8.360 nan 0.000 0.442 9 V N 1.302 121.458 119.914 0.403 0.000 2.612 9 V HA 0.295 4.416 4.120 0.001 0.000 0.301 9 V C -0.844 175.621 176.094 0.618 0.000 1.046 9 V CA -0.619 61.955 62.300 0.457 0.000 0.946 9 V CB 0.887 32.947 31.823 0.395 0.000 1.003 9 V HN 0.580 nan 8.190 nan 0.000 0.459 10 W N 3.359 124.806 121.300 0.244 0.000 2.390 10 W HA 0.483 5.145 4.660 0.003 0.000 0.312 10 W C -0.380 176.316 176.519 0.296 0.000 1.123 10 W CA -1.369 56.115 57.345 0.232 0.000 1.202 10 W CB 0.800 30.371 29.460 0.185 0.000 1.251 10 W HN 0.383 nan 8.180 nan 0.000 0.511 11 F N 5.163 125.282 119.950 0.283 0.000 2.334 11 F HA 0.453 4.980 4.527 0.000 0.000 0.367 11 F C -0.175 175.746 175.800 0.201 0.000 1.115 11 F CA -1.495 56.636 58.000 0.217 0.000 1.116 11 F CB 0.396 39.495 39.000 0.165 0.000 1.230 11 F HN 0.046 nan 8.300 nan 0.000 0.484 12 V N 6.014 125.919 119.914 -0.016 0.000 2.417 12 V HA 0.646 4.766 4.120 0.001 0.000 0.291 12 V C -0.676 175.339 176.094 -0.132 0.000 1.024 12 V CA -0.624 61.680 62.300 0.006 0.000 0.861 12 V CB 1.339 33.260 31.823 0.163 0.000 0.985 12 V HN 0.525 nan 8.190 nan 0.000 0.436 13 I N 5.651 126.160 120.570 -0.102 0.000 2.336 13 I HA 0.709 4.880 4.170 0.001 0.000 0.292 13 I C 0.988 177.086 176.117 -0.032 0.000 0.991 13 I CA 0.338 61.553 61.300 -0.141 0.000 1.227 13 I CB 1.568 39.460 38.000 -0.181 0.000 1.366 13 I HN 0.905 nan 8.210 nan 0.000 0.466 14 G N 3.312 112.130 108.800 0.031 0.000 2.348 14 G HA2 0.620 4.581 3.960 0.001 0.000 0.312 14 G HA3 0.620 4.581 3.960 0.001 0.000 0.312 14 G C -0.509 174.406 174.900 0.024 0.000 1.126 14 G CA -0.087 45.137 45.100 0.206 0.000 0.865 14 G HN 0.588 nan 8.290 nan 0.000 0.474 15 S N 0.500 116.208 115.700 0.014 0.000 3.576 15 S HA 0.745 5.216 4.470 0.001 0.000 0.321 15 S C -1.233 173.353 174.600 -0.023 0.000 1.174 15 S CA -0.095 58.083 58.200 -0.037 0.000 1.102 15 S CB 1.042 64.163 63.200 -0.132 0.000 1.467 15 S HN 1.123 nan 8.310 nan 0.000 0.701 16 Q N -0.740 119.013 119.800 -0.077 0.000 2.756 16 Q HA 0.461 4.802 4.340 0.001 0.000 0.295 16 Q C -0.721 175.160 176.000 -0.199 0.000 0.903 16 Q CA -0.828 54.914 55.803 -0.103 0.000 0.768 16 Q CB 0.261 29.002 28.738 0.005 0.000 1.472 16 Q HN 0.688 nan 8.270 nan 0.000 0.416 17 H N 0.165 119.199 119.070 -0.060 0.000 2.502 17 H HA -0.022 4.534 4.556 0.000 0.000 0.283 17 H C 1.765 177.017 175.328 -0.126 0.000 1.015 17 H CA 1.139 57.144 56.048 -0.071 0.000 1.298 17 H CB 0.397 30.124 29.762 -0.059 0.000 1.411 17 H HN 0.580 nan 8.280 nan 0.000 0.556 18 L N 1.187 122.333 121.223 -0.127 0.000 2.125 18 L HA -0.356 3.984 4.340 0.001 0.000 0.234 18 L C 1.809 178.494 176.870 -0.309 0.000 1.110 18 L CA 2.018 56.667 54.840 -0.318 0.000 0.832 18 L CB -0.954 40.731 42.059 -0.624 0.000 0.922 18 L HN 0.172 nan 8.230 nan 0.000 0.449 19 Y N -0.923 119.383 120.300 0.011 0.000 2.201 19 Y HA 0.412 4.962 4.550 0.000 0.000 0.274 19 Y C 1.933 177.823 175.900 -0.016 0.000 1.085 19 Y CA 0.157 58.249 58.100 -0.014 0.000 1.079 19 Y CB -1.640 36.794 38.460 -0.042 0.000 1.017 19 Y HN 0.306 nan 8.280 nan 0.000 0.480 20 G N 1.806 110.691 108.800 0.141 0.000 2.611 20 G HA2 -0.264 3.697 3.960 0.001 0.000 0.588 20 G HA3 -0.264 3.697 3.960 0.001 0.000 0.588 20 G C -1.829 173.098 174.900 0.045 0.000 1.333 20 G CA 0.170 45.305 45.100 0.058 0.000 0.915 20 G HN 0.356 nan 8.290 nan 0.000 0.543 21 P HA 0.178 nan 4.420 nan 0.000 0.255 21 P C 1.015 178.300 177.300 -0.025 0.000 1.248 21 P CA 0.713 63.826 63.100 0.023 0.000 0.807 21 P CB 0.473 32.196 31.700 0.038 0.000 1.150 22 E N -0.417 119.763 120.200 -0.033 0.000 2.400 22 E HA 0.012 4.363 4.350 0.001 0.000 0.195 22 E C 1.383 177.922 176.600 -0.102 0.000 1.012 22 E CA 0.924 57.287 56.400 -0.063 0.000 0.875 22 E CB -0.498 29.174 29.700 -0.048 0.000 0.859 22 E HN 0.276 nan 8.360 nan 0.000 0.498 23 T N 1.714 116.215 114.554 -0.090 0.000 2.867 23 T HA -0.021 4.329 4.350 0.001 0.000 0.268 23 T C 2.092 176.667 174.700 -0.209 0.000 1.057 23 T CA 0.511 62.524 62.100 -0.144 0.000 1.136 23 T CB -0.024 68.804 68.868 -0.067 0.000 0.874 23 T HN 0.090 nan 8.240 nan 0.000 0.466 24 L N 0.496 121.624 121.223 -0.159 0.000 2.056 24 L HA -0.039 4.302 4.340 0.001 0.000 0.207 24 L C 3.023 179.767 176.870 -0.210 0.000 1.078 24 L CA 1.230 55.953 54.840 -0.195 0.000 0.749 24 L CB -0.519 41.449 42.059 -0.152 0.000 0.901 24 L HN 0.175 nan 8.230 nan 0.000 0.433 25 R N 0.097 120.497 120.500 -0.167 0.000 2.127 25 R HA -0.173 4.167 4.340 0.001 0.000 0.238 25 R C 2.149 178.318 176.300 -0.219 0.000 1.134 25 R CA 1.184 57.192 56.100 -0.154 0.000 0.975 25 R CB -0.383 29.851 30.300 -0.109 0.000 0.865 25 R HN 0.587 nan 8.270 nan 0.000 0.447 26 Q N 0.163 119.784 119.800 -0.298 0.000 2.046 26 Q HA -0.097 4.243 4.340 0.001 0.000 0.200 26 Q C 2.313 177.917 176.000 -0.659 0.000 0.975 26 Q CA 1.409 56.931 55.803 -0.469 0.000 0.836 26 Q CB -0.204 28.231 28.738 -0.505 0.000 0.896 26 Q HN 0.112 nan 8.270 nan 0.000 0.428 27 V N 0.976 120.536 119.914 -0.590 0.000 2.278 27 V HA -0.319 3.802 4.120 0.001 0.000 0.251 27 V C 2.260 178.208 176.094 -0.244 0.000 1.062 27 V CA 2.347 64.349 62.300 -0.497 0.000 1.038 27 V CB -0.954 30.591 31.823 -0.463 0.000 0.646 27 V HN 0.463 nan 8.190 nan 0.000 0.447 28 T N -0.974 113.456 114.554 -0.207 0.000 2.746 28 T HA -0.256 4.095 4.350 0.001 0.000 0.267 28 T C 1.917 176.575 174.700 -0.069 0.000 1.039 28 T CA 1.675 63.712 62.100 -0.104 0.000 1.142 28 T CB -0.253 68.561 68.868 -0.091 0.000 0.866 28 T HN 0.552 nan 8.240 nan 0.000 0.444 29 Q N 0.147 119.865 119.800 -0.137 0.000 2.045 29 Q HA -0.176 4.164 4.340 0.001 0.000 0.206 29 Q C 2.164 178.164 176.000 0.001 0.000 0.991 29 Q CA 1.855 57.608 55.803 -0.084 0.000 0.851 29 Q CB -0.293 28.355 28.738 -0.150 0.000 0.911 29 Q HN 0.738 nan 8.270 nan 0.000 0.418 30 H N -0.391 118.537 119.070 -0.237 0.000 2.265 30 H HA -0.181 4.376 4.556 0.001 0.000 0.295 30 H C 2.176 177.567 175.328 0.106 0.000 1.084 30 H CA 0.616 56.492 56.048 -0.288 0.000 1.261 30 H CB -0.077 29.444 29.762 -0.402 0.000 1.360 30 H HN 0.364 nan 8.280 nan 0.000 0.487 31 A N 1.379 124.356 122.820 0.261 0.000 1.859 31 A HA -0.260 4.060 4.320 0.001 0.000 0.217 31 A C 2.137 179.863 177.584 0.237 0.000 1.198 31 A CA 2.083 54.331 52.037 0.352 0.000 0.629 31 A CB -0.613 18.536 19.000 0.248 0.000 0.830 31 A HN 0.507 nan 8.150 nan 0.000 0.446 32 E N -1.690 118.599 120.200 0.149 0.000 2.130 32 E HA -0.275 4.076 4.350 0.001 0.000 0.196 32 E C 1.948 178.594 176.600 0.077 0.000 0.998 32 E CA 1.541 57.996 56.400 0.092 0.000 0.806 32 E CB -0.301 29.441 29.700 0.070 0.000 0.738 32 E HN 0.883 nan 8.360 nan 0.000 0.459 33 H N 0.149 119.239 119.070 0.033 0.000 2.326 33 H HA -0.070 4.487 4.556 0.001 0.000 0.301 33 H C 1.941 177.165 175.328 -0.174 0.000 1.081 33 H CA 1.605 57.663 56.048 0.015 0.000 1.334 33 H CB 0.009 29.870 29.762 0.165 0.000 1.385 33 H HN -0.056 nan 8.280 nan 0.000 0.504 34 V N -0.422 119.346 119.914 -0.244 0.000 2.515 34 V HA -0.178 3.942 4.120 0.001 0.000 0.250 34 V C 2.495 178.337 176.094 -0.419 0.000 1.058 34 V CA 1.312 63.210 62.300 -0.670 0.000 1.064 34 V CB -0.380 31.053 31.823 -0.651 0.000 0.675 34 V HN 0.313 nan 8.190 nan 0.000 0.461 35 V N 0.708 120.451 119.914 -0.285 0.000 2.358 35 V HA -0.190 3.930 4.120 0.001 0.000 0.246 35 V C 2.338 178.309 176.094 -0.206 0.000 1.047 35 V CA 2.028 64.143 62.300 -0.308 0.000 1.035 35 V CB -0.650 31.074 31.823 -0.166 0.000 0.658 35 V HN 0.571 nan 8.190 nan 0.000 0.452 36 N N 0.894 119.498 118.700 -0.161 0.000 2.106 36 N HA -0.095 4.646 4.740 0.001 0.000 0.188 36 N C 1.825 177.255 175.510 -0.133 0.000 1.029 36 N CA 1.686 54.662 53.050 -0.124 0.000 0.848 36 N CB -0.667 37.761 38.487 -0.098 0.000 1.007 36 N HN 0.460 nan 8.380 nan 0.000 0.423 37 A N 0.714 123.428 122.820 -0.177 0.000 2.019 37 A HA -0.008 4.313 4.320 0.001 0.000 0.219 37 A C 2.283 179.844 177.584 -0.038 0.000 1.164 37 A CA 0.828 52.822 52.037 -0.073 0.000 0.644 37 A CB -0.524 18.499 19.000 0.038 0.000 0.805 37 A HN 0.194 nan 8.150 nan 0.000 0.449 38 L N -0.795 120.370 121.223 -0.096 0.000 2.034 38 L HA -0.109 4.232 4.340 0.001 0.000 0.203 38 L C 2.245 179.022 176.870 -0.155 0.000 1.074 38 L CA 0.936 55.684 54.840 -0.153 0.000 0.748 38 L CB -0.662 41.288 42.059 -0.181 0.000 0.905 38 L HN 0.268 nan 8.230 nan 0.000 0.439 39 N N -0.287 118.334 118.700 -0.133 0.000 2.192 39 N HA -0.168 4.572 4.740 0.001 0.000 0.188 39 N C 1.757 177.221 175.510 -0.078 0.000 1.013 39 N CA 1.946 54.939 53.050 -0.093 0.000 0.863 39 N CB -0.443 38.000 38.487 -0.074 0.000 0.990 39 N HN 0.330 nan 8.380 nan 0.000 0.430 40 T N -0.072 114.436 114.554 -0.077 0.000 2.770 40 T HA -0.026 4.324 4.350 0.001 0.000 0.258 40 T C 1.974 176.635 174.700 -0.065 0.000 1.039 40 T CA 1.953 64.018 62.100 -0.058 0.000 1.143 40 T CB -0.176 68.664 68.868 -0.046 0.000 0.866 40 T HN 0.577 nan 8.240 nan 0.000 0.428 41 E N 0.003 120.152 120.200 -0.084 0.000 2.490 41 E HA 0.655 5.005 4.350 0.001 0.000 0.209 41 E C 1.631 178.143 176.600 -0.146 0.000 0.971 41 E CA 0.546 56.895 56.400 -0.085 0.000 0.988 41 E CB -0.239 29.430 29.700 -0.051 0.000 1.029 41 E HN 0.497 nan 8.360 nan 0.000 0.496 42 A N -0.270 122.409 122.820 -0.234 0.000 2.275 42 A HA 0.496 4.817 4.320 0.001 0.000 0.212 42 A C 1.875 179.335 177.584 -0.206 0.000 1.201 42 A CA 1.302 53.106 52.037 -0.387 0.000 0.843 42 A CB -0.812 17.799 19.000 -0.649 0.000 0.873 42 A HN 1.287 nan 8.150 nan 0.000 0.492 43 K N -0.125 120.195 120.400 -0.133 0.000 3.540 43 K HA -0.160 4.161 4.320 0.001 0.000 0.274 43 K C -0.140 176.400 176.600 -0.101 0.000 0.890 43 K CA 1.626 57.856 56.287 -0.095 0.000 0.701 43 K CB -2.864 29.595 32.500 -0.069 0.000 1.523 43 K HN 0.646 nan 8.250 nan 0.000 0.450 44 L N -0.948 120.210 121.223 -0.109 0.000 2.379 44 L HA 0.352 4.693 4.340 0.001 0.000 0.269 44 L C -0.675 176.113 176.870 -0.138 0.000 1.084 44 L CA -2.226 52.553 54.840 -0.102 0.000 0.802 44 L CB 1.493 43.506 42.059 -0.077 0.000 1.175 44 L HN 0.145 nan 8.230 nan 0.000 0.448 45 P HA -0.109 nan 4.420 nan 0.000 0.218 45 P C -0.133 176.966 177.300 -0.336 0.000 1.146 45 P CA 0.755 63.582 63.100 -0.455 0.000 0.813 45 P CB 0.046 31.382 31.700 -0.607 0.000 0.778 46 C N -4.233 115.025 119.300 -0.071 0.000 3.293 46 C HA 0.597 5.058 4.460 0.001 0.000 0.362 46 C C -1.135 173.906 174.990 0.086 0.000 1.539 46 C CA -1.652 57.413 59.018 0.078 0.000 1.201 46 C CB 1.249 29.142 27.740 0.256 0.000 1.770 46 C HN -0.001 nan 8.230 nan 0.000 0.440 47 K N 1.093 121.568 120.400 0.125 0.000 2.218 47 K HA 0.677 4.997 4.320 0.001 0.000 0.276 47 K C -1.163 175.518 176.600 0.135 0.000 1.022 47 K CA -0.247 56.100 56.287 0.099 0.000 0.946 47 K CB 0.599 33.154 32.500 0.092 0.000 1.000 47 K HN 0.605 nan 8.250 nan 0.000 0.468 48 L N 2.967 124.240 121.223 0.083 0.000 2.265 48 L HA 0.271 4.612 4.340 0.001 0.000 0.289 48 L C -0.807 176.114 176.870 0.085 0.000 1.033 48 L CA -1.154 53.750 54.840 0.106 0.000 0.814 48 L CB 1.543 43.591 42.059 -0.017 0.000 1.203 48 L HN 0.434 nan 8.230 nan 0.000 0.423 49 V N 4.864 124.853 119.914 0.126 0.000 2.333 49 V HA 0.183 4.304 4.120 0.001 0.000 0.274 49 V C 0.099 176.215 176.094 0.036 0.000 1.028 49 V CA -0.627 61.680 62.300 0.012 0.000 0.851 49 V CB 1.625 33.374 31.823 -0.123 0.000 1.000 49 V HN 0.460 nan 8.190 nan 0.000 0.456 50 L N 7.073 128.337 121.223 0.068 0.000 2.456 50 L HA 0.335 4.676 4.340 0.001 0.000 0.277 50 L C 0.351 177.224 176.870 0.005 0.000 1.124 50 L CA 0.552 55.475 54.840 0.139 0.000 0.880 50 L CB -0.090 42.064 42.059 0.159 0.000 1.192 50 L HN 0.425 nan 8.230 nan 0.000 0.463 51 K N 6.510 126.907 120.400 -0.004 0.000 2.126 51 K HA 0.449 4.769 4.320 0.001 0.000 0.257 51 K C -2.285 174.295 176.600 -0.032 0.000 1.007 51 K CA -1.821 54.418 56.287 -0.080 0.000 0.928 51 K CB 0.180 32.633 32.500 -0.078 0.000 1.013 51 K HN 0.488 nan 8.250 nan 0.000 0.473 52 P HA 0.022 nan 4.420 nan 0.000 0.267 52 P C 0.052 177.324 177.300 -0.048 0.000 1.200 52 P CA -0.051 63.023 63.100 -0.044 0.000 0.772 52 P CB 0.379 32.051 31.700 -0.047 0.000 0.855 53 L N 1.360 122.547 121.223 -0.061 0.000 2.593 53 L HA 0.024 4.364 4.340 0.001 0.000 0.287 53 L C 1.497 178.305 176.870 -0.104 0.000 1.243 53 L CA 0.420 55.208 54.840 -0.086 0.000 0.890 53 L CB -0.406 41.584 42.059 -0.116 0.000 1.134 53 L HN 0.519 nan 8.230 nan 0.000 0.502 54 G N 0.711 109.437 108.800 -0.124 0.000 2.504 54 G HA2 0.402 4.362 3.960 0.001 0.000 0.326 54 G HA3 0.402 4.362 3.960 0.001 0.000 0.326 54 G C 0.586 175.368 174.900 -0.196 0.000 1.073 54 G CA 0.041 45.019 45.100 -0.204 0.000 1.030 54 G HN 0.771 nan 8.290 nan 0.000 0.448 55 T N -1.416 113.030 114.554 -0.180 0.000 3.043 55 T HA 0.331 4.681 4.350 0.001 0.000 0.272 55 T C 0.865 175.519 174.700 -0.076 0.000 0.990 55 T CA 0.518 62.509 62.100 -0.183 0.000 0.897 55 T CB 0.339 68.959 68.868 -0.415 0.000 1.111 55 T HN 0.739 nan 8.240 nan 0.000 0.529 56 T N -1.897 112.607 114.554 -0.083 0.000 2.864 56 T HA 0.589 4.940 4.350 0.001 0.000 0.299 56 T C -2.609 172.014 174.700 -0.129 0.000 1.166 56 T CA -1.579 60.496 62.100 -0.042 0.000 1.007 56 T CB 1.767 70.643 68.868 0.013 0.000 1.219 56 T HN -0.344 nan 8.240 nan 0.000 0.506 57 P HA -0.043 nan 4.420 nan 0.000 0.215 57 P C 0.959 178.194 177.300 -0.108 0.000 1.157 57 P CA 1.097 64.134 63.100 -0.106 0.000 0.868 57 P CB 0.013 31.686 31.700 -0.044 0.000 0.788 58 D N -0.617 119.739 120.400 -0.073 0.000 2.144 58 D HA -0.130 4.510 4.640 0.001 0.000 0.200 58 D C 1.871 178.128 176.300 -0.072 0.000 0.978 58 D CA 1.005 54.970 54.000 -0.059 0.000 0.833 58 D CB -0.418 40.358 40.800 -0.039 0.000 0.961 58 D HN 0.322 nan 8.370 nan 0.000 0.470 59 E N 0.049 120.195 120.200 -0.090 0.000 2.153 59 E HA -0.101 4.250 4.350 0.001 0.000 0.194 59 E C 2.195 178.701 176.600 -0.155 0.000 0.988 59 E CA 0.484 56.824 56.400 -0.102 0.000 0.811 59 E CB 0.090 29.728 29.700 -0.104 0.000 0.746 59 E HN 0.322 nan 8.360 nan 0.000 0.466 60 I N 0.422 120.840 120.570 -0.254 0.000 2.333 60 I HA -0.184 3.987 4.170 0.001 0.000 0.246 60 I C 2.312 178.322 176.117 -0.178 0.000 1.106 60 I CA 0.878 61.950 61.300 -0.381 0.000 1.411 60 I CB -0.186 37.352 38.000 -0.771 0.000 1.082 60 I HN 0.051 nan 8.210 nan 0.000 0.420 61 T N 1.091 115.576 114.554 -0.113 0.000 2.684 61 T HA -0.233 4.118 4.350 0.001 0.000 0.267 61 T C 2.097 176.794 174.700 -0.005 0.000 1.036 61 T CA 1.605 63.684 62.100 -0.035 0.000 1.148 61 T CB -0.419 68.433 68.868 -0.026 0.000 0.863 61 T HN 0.468 nan 8.240 nan 0.000 0.436 62 A N 1.249 124.060 122.820 -0.015 0.000 1.873 62 A HA -0.130 4.191 4.320 0.001 0.000 0.218 62 A C 2.308 179.940 177.584 0.079 0.000 1.193 62 A CA 1.703 53.752 52.037 0.019 0.000 0.629 62 A CB -0.939 18.062 19.000 0.002 0.000 0.826 62 A HN 0.549 nan 8.150 nan 0.000 0.447 63 I N -0.540 120.078 120.570 0.080 0.000 2.226 63 I HA -0.336 3.835 4.170 0.001 0.000 0.245 63 I C 2.554 178.809 176.117 0.229 0.000 1.100 63 I CA 1.347 62.772 61.300 0.208 0.000 1.374 63 I CB -0.495 37.603 38.000 0.163 0.000 1.057 63 I HN 0.426 nan 8.210 nan 0.000 0.413 64 C N 0.210 119.582 119.300 0.121 0.000 2.453 64 C HA -0.139 4.322 4.460 0.001 0.000 0.277 64 C C 2.940 177.972 174.990 0.071 0.000 1.262 64 C CA 0.755 59.825 59.018 0.087 0.000 1.718 64 C CB -1.217 26.575 27.740 0.086 0.000 2.031 64 C HN 0.486 nan 8.230 nan 0.000 0.480 65 R N 1.468 122.015 120.500 0.079 0.000 2.094 65 R HA -0.196 4.145 4.340 0.001 0.000 0.239 65 R C 1.652 178.029 176.300 0.127 0.000 1.137 65 R CA 2.536 58.683 56.100 0.078 0.000 0.943 65 R CB -0.567 29.764 30.300 0.051 0.000 0.850 65 R HN 0.436 nan 8.270 nan 0.000 0.433 66 D N 0.306 120.819 120.400 0.188 0.000 2.123 66 D HA -0.170 4.471 4.640 0.001 0.000 0.196 66 D C 1.811 178.265 176.300 0.256 0.000 0.992 66 D CA 1.730 55.929 54.000 0.330 0.000 0.833 66 D CB -0.439 40.653 40.800 0.486 0.000 0.954 66 D HN 0.474 nan 8.370 nan 0.000 0.455 67 A N 1.014 123.795 122.820 -0.066 0.000 1.908 67 A HA -0.229 4.092 4.320 0.001 0.000 0.218 67 A C 1.996 179.437 177.584 -0.238 0.000 1.181 67 A CA 1.601 53.275 52.037 -0.605 0.000 0.627 67 A CB -0.527 18.125 19.000 -0.581 0.000 0.818 67 A HN 0.123 nan 8.150 nan 0.000 0.445 68 N N -1.538 117.132 118.700 -0.050 0.000 2.120 68 N HA -0.165 4.575 4.740 0.001 0.000 0.188 68 N C 1.535 177.098 175.510 0.088 0.000 1.024 68 N CA 1.704 54.767 53.050 0.022 0.000 0.852 68 N CB -0.611 37.912 38.487 0.060 0.000 1.003 68 N HN 0.722 nan 8.380 nan 0.000 0.424 69 Y N 0.865 121.177 120.300 0.020 0.000 2.263 69 Y HA -0.063 4.488 4.550 0.001 0.000 0.292 69 Y C 0.196 176.139 175.900 0.071 0.000 1.130 69 Y CA 0.446 58.578 58.100 0.053 0.000 1.179 69 Y CB 0.116 38.620 38.460 0.074 0.000 0.998 69 Y HN -0.106 nan 8.280 nan 0.000 0.532 70 D N 0.764 121.222 120.400 0.097 0.000 2.338 70 D HA 0.001 4.642 4.640 0.001 0.000 0.255 70 D C 0.457 176.759 176.300 0.003 0.000 1.237 70 D CA 0.144 54.188 54.000 0.074 0.000 0.883 70 D CB 0.590 41.594 40.800 0.340 0.000 1.087 70 D HN 0.224 nan 8.370 nan 0.000 0.485 71 D N 4.006 124.371 120.400 -0.058 0.000 2.144 71 D HA -0.087 4.554 4.640 0.001 0.000 0.200 71 D C -0.848 175.445 176.300 -0.011 0.000 0.978 71 D CA 0.803 54.782 54.000 -0.035 0.000 0.833 71 D CB -0.791 39.959 40.800 -0.082 0.000 0.961 71 D HN 0.472 nan 8.370 nan 0.000 0.470 72 P HA -0.045 nan 4.420 nan 0.000 0.222 72 P C 0.481 177.930 177.300 0.248 0.000 1.147 72 P CA 0.311 63.395 63.100 -0.027 0.000 0.790 72 P CB -0.034 31.669 31.700 0.006 0.000 0.780 73 C N 0.522 119.922 119.300 0.168 0.000 2.667 73 C HA 0.429 4.890 4.460 0.001 0.000 0.392 73 C C 1.824 176.821 174.990 0.013 0.000 1.332 73 C CA 0.116 59.125 59.018 -0.014 0.000 1.594 73 C CB -1.915 25.500 27.740 -0.543 0.000 2.345 73 C HN 0.285 nan 8.230 nan 0.000 0.594 74 A N 4.469 127.351 122.820 0.103 0.000 2.095 74 A HA 0.610 4.930 4.320 0.001 0.000 0.212 74 A C 1.046 178.605 177.584 -0.041 0.000 1.162 74 A CA 0.795 52.846 52.037 0.022 0.000 0.753 74 A CB -0.161 18.806 19.000 -0.055 0.000 0.840 74 A HN 1.398 nan 8.150 nan 0.000 0.468 75 G N -1.653 107.173 108.800 0.044 0.000 2.451 75 G HA2 0.487 4.448 3.960 0.001 0.000 0.292 75 G HA3 0.487 4.448 3.960 0.001 0.000 0.292 75 G C -1.705 173.367 174.900 0.288 0.000 1.427 75 G CA -0.771 44.461 45.100 0.220 0.000 0.792 75 G HN 0.257 nan 8.290 nan 0.000 0.498 76 L N 0.277 121.714 121.223 0.356 0.000 2.365 76 L HA 0.760 5.101 4.340 0.001 0.000 0.273 76 L C -0.392 176.553 176.870 0.126 0.000 1.000 76 L CA -1.294 53.695 54.840 0.248 0.000 0.819 76 L CB 2.037 44.200 42.059 0.172 0.000 1.284 76 L HN 0.456 nan 8.230 nan 0.000 0.418 77 V N 4.897 124.895 119.914 0.139 0.000 2.378 77 V HA 0.578 4.699 4.120 0.001 0.000 0.288 77 V C -0.507 175.563 176.094 -0.040 0.000 1.016 77 V CA -0.485 61.816 62.300 0.002 0.000 0.840 77 V CB 1.881 33.790 31.823 0.143 0.000 0.994 77 V HN 0.507 nan 8.190 nan 0.000 0.431 78 V N 5.628 125.447 119.914 -0.159 0.000 2.435 78 V HA 0.766 4.887 4.120 0.001 0.000 0.290 78 V C -1.072 174.905 176.094 -0.195 0.000 1.030 78 V CA -0.586 61.570 62.300 -0.241 0.000 0.881 78 V CB 1.539 33.139 31.823 -0.372 0.000 0.983 78 V HN 1.036 nan 8.190 nan 0.000 0.445 79 W N 6.487 127.516 121.300 -0.451 0.000 2.587 79 W HA 0.744 5.405 4.660 0.001 0.000 0.324 79 W C -1.443 174.909 176.519 -0.279 0.000 1.040 79 W CA -2.140 54.988 57.345 -0.362 0.000 1.222 79 W CB 1.716 30.929 29.460 -0.411 0.000 1.381 79 W HN 0.655 nan 8.180 nan 0.000 0.483 80 L N 7.344 128.536 121.223 -0.052 0.000 2.353 80 L HA 0.102 4.443 4.340 0.001 0.000 0.269 80 L C 1.580 178.266 176.870 -0.306 0.000 1.085 80 L CA -0.540 54.187 54.840 -0.190 0.000 0.938 80 L CB 0.323 42.315 42.059 -0.112 0.000 1.312 80 L HN 0.595 nan 8.230 nan 0.000 0.429 81 H N 1.366 119.977 119.070 -0.764 0.000 2.421 81 H HA -0.054 4.503 4.556 0.001 0.000 0.298 81 H C 0.971 176.069 175.328 -0.385 0.000 1.087 81 H CA 1.465 57.000 56.048 -0.856 0.000 1.330 81 H CB 0.399 29.578 29.762 -0.971 0.000 1.388 81 H HN 0.647 nan 8.280 nan 0.000 0.526 82 T N -4.123 110.369 114.554 -0.103 0.000 2.676 82 T HA 0.279 4.629 4.350 0.001 0.000 0.269 82 T C -0.034 174.734 174.700 0.113 0.000 0.952 82 T CA -0.967 61.127 62.100 -0.010 0.000 1.040 82 T CB 0.784 69.675 68.868 0.039 0.000 1.352 82 T HN 0.023 nan 8.240 nan 0.000 0.554 83 F N 0.946 120.953 119.950 0.095 0.000 2.459 83 F HA 0.480 5.007 4.527 0.000 0.000 0.346 83 F C 0.647 176.538 175.800 0.150 0.000 1.128 83 F CA 0.375 58.483 58.000 0.179 0.000 1.268 83 F CB 0.911 40.088 39.000 0.296 0.000 1.161 83 F HN 0.604 nan 8.300 nan 0.000 0.583 84 S N 6.498 122.011 115.700 -0.312 0.000 2.385 84 S HA 0.334 4.804 4.470 0.001 0.000 0.191 84 S C -2.733 171.772 174.600 -0.158 0.000 1.196 84 S CA -1.298 56.862 58.200 -0.066 0.000 1.178 84 S CB 0.295 63.599 63.200 0.173 0.000 1.258 84 S HN 0.314 nan 8.310 nan 0.000 0.430 85 P HA 0.023 nan 4.420 nan 0.000 0.255 85 P C 0.588 177.943 177.300 0.092 0.000 1.161 85 P CA 0.285 63.311 63.100 -0.124 0.000 0.768 85 P CB 0.429 32.159 31.700 0.051 0.000 0.746 86 A N 4.911 127.764 122.820 0.054 0.000 2.067 86 A HA -0.192 4.129 4.320 0.001 0.000 0.219 86 A C 1.965 179.693 177.584 0.239 0.000 1.158 86 A CA 1.303 53.435 52.037 0.159 0.000 0.661 86 A CB -0.675 18.349 19.000 0.040 0.000 0.801 86 A HN 0.430 nan 8.150 nan 0.000 0.452 87 K N -0.659 119.845 120.400 0.174 0.000 2.103 87 K HA -0.118 4.203 4.320 0.001 0.000 0.207 87 K C 1.921 178.614 176.600 0.156 0.000 1.048 87 K CA 1.700 58.075 56.287 0.146 0.000 0.930 87 K CB -0.304 32.260 32.500 0.106 0.000 0.716 87 K HN 0.533 nan 8.250 nan 0.000 0.444 88 M N -1.181 118.522 119.600 0.171 0.000 2.195 88 M HA -0.231 4.249 4.480 0.001 0.000 0.260 88 M C 1.273 177.589 176.300 0.027 0.000 1.066 88 M CA 1.699 57.040 55.300 0.068 0.000 1.089 88 M CB -0.370 32.234 32.600 0.007 0.000 1.377 88 M HN 0.279 nan 8.290 nan 0.000 0.411 89 W N -0.133 121.195 121.300 0.047 0.000 2.863 89 W HA 0.158 4.818 4.660 0.001 0.000 0.258 89 W C 1.862 178.407 176.519 0.043 0.000 1.298 89 W CA 0.009 57.396 57.345 0.069 0.000 1.451 89 W CB -0.437 29.099 29.460 0.126 0.000 1.107 89 W HN 0.100 nan 8.180 nan 0.000 0.641 90 I N 0.882 121.588 120.570 0.226 0.000 2.118 90 I HA -0.402 3.769 4.170 0.001 0.000 0.241 90 I C 1.910 178.087 176.117 0.101 0.000 1.070 90 I CA 1.586 62.965 61.300 0.131 0.000 1.327 90 I CB -0.519 37.530 38.000 0.083 0.000 1.034 90 I HN -0.054 nan 8.210 nan 0.000 0.405 91 N N 0.885 119.629 118.700 0.074 0.000 2.244 91 N HA -0.107 4.633 4.740 0.001 0.000 0.183 91 N C 1.786 177.329 175.510 0.055 0.000 1.016 91 N CA 1.364 54.443 53.050 0.049 0.000 0.866 91 N CB -0.585 37.918 38.487 0.027 0.000 0.980 91 N HN 0.414 nan 8.380 nan 0.000 0.430 92 G N 0.650 109.491 108.800 0.067 0.000 2.404 92 G HA2 -0.143 3.818 3.960 0.001 0.000 0.215 92 G HA3 -0.143 3.818 3.960 0.001 0.000 0.215 92 G C 1.405 176.379 174.900 0.122 0.000 1.174 92 G CA 0.282 45.429 45.100 0.079 0.000 0.780 92 G HN 0.232 nan 8.290 nan 0.000 0.537 93 L N 1.469 122.796 121.223 0.174 0.000 2.265 93 L HA -0.065 4.276 4.340 0.001 0.000 0.215 93 L C 3.069 180.007 176.870 0.113 0.000 1.117 93 L CA 1.584 56.532 54.840 0.179 0.000 0.782 93 L CB -0.608 41.577 42.059 0.210 0.000 0.914 93 L HN 0.438 nan 8.230 nan 0.000 0.441 94 T N -3.422 111.181 114.554 0.081 0.000 3.088 94 T HA -0.056 4.295 4.350 0.001 0.000 0.259 94 T C 1.487 176.214 174.700 0.045 0.000 1.122 94 T CA 0.478 62.608 62.100 0.050 0.000 1.095 94 T CB -0.051 68.837 68.868 0.034 0.000 0.930 94 T HN 0.461 nan 8.240 nan 0.000 0.508 95 M N -0.532 119.100 119.600 0.053 0.000 2.337 95 M HA 0.497 4.978 4.480 0.001 0.000 0.256 95 M C 0.332 176.662 176.300 0.049 0.000 1.075 95 M CA -0.435 54.892 55.300 0.045 0.000 1.024 95 M CB -0.111 32.514 32.600 0.041 0.000 1.429 95 M HN 0.037 nan 8.290 nan 0.000 0.497 96 L N 3.029 124.291 121.223 0.065 0.000 2.418 96 L HA 0.198 4.539 4.340 0.001 0.000 0.274 96 L C 0.382 177.282 176.870 0.049 0.000 1.135 96 L CA 0.903 55.782 54.840 0.064 0.000 0.870 96 L CB 0.106 42.224 42.059 0.099 0.000 1.154 96 L HN 0.294 nan 8.230 nan 0.000 0.462 97 N N 2.088 120.805 118.700 0.028 0.000 2.392 97 N HA 0.037 4.778 4.740 0.001 0.000 0.177 97 N C -0.366 175.150 175.510 0.009 0.000 1.066 97 N CA 0.184 53.243 53.050 0.015 0.000 0.895 97 N CB 0.306 38.797 38.487 0.006 0.000 0.988 97 N HN 0.423 nan 8.380 nan 0.000 0.457 98 K N 0.967 121.373 120.400 0.011 0.000 2.118 98 K HA 0.379 4.700 4.320 0.001 0.000 0.254 98 K C -2.495 174.152 176.600 0.079 0.000 0.961 98 K CA -2.141 54.150 56.287 0.007 0.000 0.876 98 K CB 1.110 33.579 32.500 -0.051 0.000 1.077 98 K HN -0.180 nan 8.250 nan 0.000 0.440 99 P HA 0.252 nan 4.420 nan 0.000 0.274 99 P C -1.190 176.379 177.300 0.449 0.000 1.237 99 P CA -0.562 62.694 63.100 0.260 0.000 0.793 99 P CB 0.623 32.434 31.700 0.184 0.000 0.977 100 L N 1.847 123.335 121.223 0.441 0.000 2.408 100 L HA 0.680 5.020 4.340 0.001 0.000 0.268 100 L C -1.487 175.334 176.870 -0.082 0.000 0.986 100 L CA -0.953 53.981 54.840 0.156 0.000 0.820 100 L CB 1.740 43.784 42.059 -0.025 0.000 1.303 100 L HN 0.246 nan 8.230 nan 0.000 0.411 101 L N 3.935 124.858 121.223 -0.500 0.000 2.409 101 L HA 0.473 4.813 4.340 0.001 0.000 0.272 101 L C -0.930 175.720 176.870 -0.367 0.000 0.980 101 L CA -0.220 54.211 54.840 -0.683 0.000 0.826 101 L CB 1.799 42.928 42.059 -1.550 0.000 1.268 101 L HN 0.691 nan 8.230 nan 0.000 0.407 102 Q N 3.500 123.180 119.800 -0.200 0.000 2.288 102 Q HA 0.181 4.522 4.340 0.001 0.000 0.258 102 Q C -1.465 174.557 176.000 0.036 0.000 0.957 102 Q CA -0.524 55.206 55.803 -0.122 0.000 0.919 102 Q CB 0.995 29.703 28.738 -0.050 0.000 1.185 102 Q HN 0.608 nan 8.270 nan 0.000 0.408 103 F N 5.684 125.561 119.950 -0.121 0.000 2.351 103 F HA 0.135 4.663 4.527 0.001 0.000 0.362 103 F C -0.526 175.236 175.800 -0.062 0.000 1.131 103 F CA -0.928 57.022 58.000 -0.083 0.000 1.187 103 F CB 0.082 39.047 39.000 -0.059 0.000 1.434 103 F HN 0.614 nan 8.300 nan 0.000 0.553 104 H N 4.580 123.704 119.070 0.090 0.000 3.045 104 H HA 0.141 4.698 4.556 0.002 0.000 0.254 104 H C -0.153 175.059 175.328 -0.193 0.000 1.747 104 H CA 0.396 56.427 56.048 -0.028 0.000 1.444 104 H CB 0.182 29.973 29.762 0.047 0.000 1.778 104 H HN 0.613 nan 8.280 nan 0.000 0.544 105 T N 2.162 116.308 114.554 -0.680 0.000 2.841 105 T HA 0.355 4.706 4.350 0.001 0.000 0.276 105 T C -0.964 173.446 174.700 -0.484 0.000 1.003 105 T CA -0.564 61.025 62.100 -0.852 0.000 0.995 105 T CB 2.306 70.114 68.868 -1.768 0.000 1.260 105 T HN 0.671 nan 8.240 nan 0.000 0.581 106 Q N 0.091 119.719 119.800 -0.285 0.000 2.418 106 Q HA 0.372 4.713 4.340 0.001 0.000 0.282 106 Q C -0.555 175.610 176.000 0.275 0.000 1.044 106 Q CA -0.684 55.186 55.803 0.111 0.000 0.813 106 Q CB 1.638 30.447 28.738 0.118 0.000 1.428 106 Q HN 0.649 nan 8.270 nan 0.000 0.402 107 F N 2.166 122.251 119.950 0.226 0.000 2.060 107 F HA -0.054 4.474 4.527 0.002 0.000 0.295 107 F C 1.113 177.170 175.800 0.429 0.000 1.120 107 F CA 1.385 59.514 58.000 0.215 0.000 1.205 107 F CB 0.075 38.905 39.000 -0.284 0.000 0.986 107 F HN 0.668 nan 8.300 nan 0.000 0.470 108 N N 0.808 119.709 118.700 0.334 0.000 2.530 108 N HA 0.216 4.957 4.740 0.001 0.000 0.277 108 N C 0.463 175.979 175.510 0.010 0.000 1.168 108 N CA 0.508 53.652 53.050 0.158 0.000 0.979 108 N CB 1.223 39.848 38.487 0.230 0.000 1.141 108 N HN 0.249 nan 8.380 nan 0.000 0.459 109 A N 2.006 124.610 122.820 -0.360 0.000 1.850 109 A HA 0.345 4.666 4.320 0.001 0.000 0.212 109 A C 1.069 178.514 177.584 -0.232 0.000 1.208 109 A CA 0.981 52.712 52.037 -0.510 0.000 0.609 109 A CB -0.924 17.571 19.000 -0.842 0.000 0.860 109 A HN 0.921 nan 8.150 nan 0.000 0.448 110 A N 0.050 122.748 122.820 -0.205 0.000 2.363 110 A HA 0.512 4.833 4.320 0.001 0.000 0.270 110 A C -0.070 177.366 177.584 -0.248 0.000 1.121 110 A CA -0.445 51.486 52.037 -0.177 0.000 0.800 110 A CB -0.006 18.918 19.000 -0.127 0.000 1.052 110 A HN 0.932 nan 8.150 nan 0.000 0.493 111 L N 5.340 126.295 121.223 -0.447 0.000 2.369 111 L HA 0.380 4.721 4.340 0.001 0.000 0.279 111 L C -2.029 174.302 176.870 -0.898 0.000 1.108 111 L CA -2.175 52.246 54.840 -0.698 0.000 0.852 111 L CB 0.329 41.779 42.059 -1.015 0.000 1.169 111 L HN 0.417 nan 8.230 nan 0.000 0.452 112 P HA 0.003 nan 4.420 nan 0.000 0.241 112 P C 0.223 177.321 177.300 -0.337 0.000 1.760 112 P CA 0.063 62.909 63.100 -0.424 0.000 1.081 112 P CB -0.466 30.989 31.700 -0.408 0.000 1.975 113 W N 2.258 123.490 121.300 -0.114 0.000 2.290 113 W HA -0.252 4.409 4.660 0.002 0.000 0.318 113 W C 2.054 178.523 176.519 -0.083 0.000 1.248 113 W CA 1.812 59.105 57.345 -0.086 0.000 1.263 113 W CB -1.087 28.341 29.460 -0.054 0.000 1.147 113 W HN 0.282 nan 8.180 nan 0.000 0.494 114 D N -0.497 119.999 120.400 0.161 0.000 2.312 114 D HA -0.108 4.533 4.640 0.001 0.000 0.211 114 D C 1.791 178.098 176.300 0.011 0.000 0.964 114 D CA 1.662 55.709 54.000 0.078 0.000 0.877 114 D CB -0.838 40.001 40.800 0.065 0.000 0.924 114 D HN 0.353 nan 8.370 nan 0.000 0.515 115 S N -0.149 115.521 115.700 -0.050 0.000 2.564 115 S HA 0.091 4.561 4.470 0.001 0.000 0.231 115 S C 1.050 175.575 174.600 -0.125 0.000 1.067 115 S CA -0.599 57.554 58.200 -0.079 0.000 0.908 115 S CB -0.205 62.937 63.200 -0.098 0.000 0.809 115 S HN 0.250 nan 8.310 nan 0.000 0.491 116 I N 3.692 124.123 120.570 -0.232 0.000 2.996 116 I HA 0.006 4.176 4.170 0.001 0.000 0.311 116 I C -0.525 175.548 176.117 -0.073 0.000 1.219 116 I CA 0.958 62.085 61.300 -0.288 0.000 1.452 116 I CB 0.254 38.057 38.000 -0.329 0.000 1.319 116 I HN 0.593 nan 8.210 nan 0.000 0.564 117 D N 5.750 126.158 120.400 0.014 0.000 2.664 117 D HA 0.165 4.805 4.640 0.001 0.000 0.292 117 D C 0.359 176.716 176.300 0.094 0.000 1.214 117 D CA -0.694 53.337 54.000 0.052 0.000 0.932 117 D CB 0.720 41.545 40.800 0.042 0.000 1.420 117 D HN 0.311 nan 8.370 nan 0.000 0.471 118 M N 0.508 120.143 119.600 0.059 0.000 2.149 118 M HA -0.114 4.367 4.480 0.001 0.000 0.261 118 M C 0.862 177.167 176.300 0.007 0.000 1.064 118 M CA 1.556 56.880 55.300 0.040 0.000 1.102 118 M CB -0.972 31.644 32.600 0.027 0.000 1.369 118 M HN 0.482 nan 8.290 nan 0.000 0.408 119 D N -0.724 119.684 120.400 0.013 0.000 2.092 119 D HA -0.204 4.437 4.640 0.001 0.000 0.193 119 D C 1.856 178.124 176.300 -0.052 0.000 0.994 119 D CA 1.294 55.269 54.000 -0.041 0.000 0.828 119 D CB -0.478 40.319 40.800 -0.005 0.000 0.963 119 D HN 0.327 nan 8.370 nan 0.000 0.450 120 F N 1.033 120.935 119.950 -0.079 0.000 2.010 120 F HA -0.263 4.264 4.527 0.000 0.000 0.296 120 F C 2.648 178.405 175.800 -0.071 0.000 1.146 120 F CA 1.512 59.477 58.000 -0.059 0.000 1.181 120 F CB -0.362 38.623 39.000 -0.026 0.000 0.965 120 F HN -0.207 nan 8.300 nan 0.000 0.480 121 M N 1.425 121.187 119.600 0.270 0.000 2.152 121 M HA -0.362 4.119 4.480 0.001 0.000 0.251 121 M C 1.756 178.037 176.300 -0.032 0.000 1.080 121 M CA 2.636 58.021 55.300 0.141 0.000 1.079 121 M CB -0.819 31.853 32.600 0.121 0.000 1.317 121 M HN 0.487 nan 8.290 nan 0.000 0.404 122 N N -0.537 118.068 118.700 -0.158 0.000 2.416 122 N HA 0.016 4.757 4.740 0.001 0.000 0.177 122 N C 0.380 175.551 175.510 -0.564 0.000 1.036 122 N CA 0.302 53.133 53.050 -0.365 0.000 0.901 122 N CB -0.381 37.783 38.487 -0.538 0.000 0.976 122 N HN 0.417 nan 8.380 nan 0.000 0.444 123 L N 1.066 121.997 121.223 -0.486 0.000 2.439 123 L HA 0.257 4.598 4.340 0.001 0.000 0.259 123 L C -0.522 176.108 176.870 -0.400 0.000 1.129 123 L CA -0.063 54.485 54.840 -0.486 0.000 0.803 123 L CB 0.084 41.842 42.059 -0.503 0.000 1.161 123 L HN 0.542 nan 8.230 nan 0.000 0.462 124 N N 0.473 119.020 118.700 -0.254 0.000 2.686 124 N HA -0.284 4.457 4.740 0.001 0.000 0.261 124 N C -0.469 174.990 175.510 -0.085 0.000 1.001 124 N CA 1.061 54.105 53.050 -0.009 0.000 0.764 124 N CB -1.477 36.978 38.487 -0.054 0.000 0.898 124 N HN 0.755 nan 8.380 nan 0.000 0.544 125 Q N -2.405 117.318 119.800 -0.127 0.000 2.201 125 Q HA 0.202 4.542 4.340 0.001 0.000 0.236 125 Q C 0.341 176.146 176.000 -0.325 0.000 0.857 125 Q CA -0.288 55.349 55.803 -0.276 0.000 1.025 125 Q CB 0.245 28.747 28.738 -0.394 0.000 1.124 125 Q HN 0.337 nan 8.270 nan 0.000 0.473 126 T N 1.171 115.654 114.554 -0.118 0.000 2.760 126 T HA -0.274 4.076 4.350 0.001 0.000 0.269 126 T C 1.999 176.655 174.700 -0.074 0.000 1.047 126 T CA 1.614 63.661 62.100 -0.089 0.000 1.139 126 T CB -0.206 68.634 68.868 -0.046 0.000 0.855 126 T HN 0.608 nan 8.240 nan 0.000 0.471 127 A N 2.168 124.958 122.820 -0.050 0.000 1.940 127 A HA -0.269 4.051 4.320 0.001 0.000 0.221 127 A C 2.066 179.810 177.584 0.266 0.000 1.190 127 A CA 2.274 54.393 52.037 0.137 0.000 0.647 127 A CB -0.796 18.278 19.000 0.124 0.000 0.821 127 A HN 0.919 nan 8.150 nan 0.000 0.457 128 H N -3.987 115.222 119.070 0.233 0.000 2.545 128 H HA 0.202 4.758 4.556 0.001 0.000 0.283 128 H C 2.148 177.690 175.328 0.355 0.000 0.997 128 H CA 0.772 56.976 56.048 0.262 0.000 1.269 128 H CB -0.689 29.189 29.762 0.192 0.000 1.451 128 H HN 0.338 nan 8.280 nan 0.000 0.508 129 G N 1.077 110.015 108.800 0.230 0.000 2.450 129 G HA2 -0.230 3.731 3.960 0.001 0.000 0.220 129 G HA3 -0.230 3.731 3.960 0.001 0.000 0.220 129 G C 1.782 176.797 174.900 0.192 0.000 1.130 129 G CA 0.759 46.020 45.100 0.268 0.000 0.760 129 G HN 0.562 nan 8.290 nan 0.000 0.557 130 G N 0.133 109.092 108.800 0.264 0.000 2.511 130 G HA2 -0.039 3.921 3.960 0.001 0.000 0.217 130 G HA3 -0.039 3.921 3.960 0.001 0.000 0.217 130 G C 1.897 176.960 174.900 0.272 0.000 1.133 130 G CA 0.339 45.644 45.100 0.342 0.000 0.792 130 G HN 0.465 nan 8.290 nan 0.000 0.539 131 R N -0.160 120.502 120.500 0.270 0.000 2.127 131 R HA 0.121 4.462 4.340 0.001 0.000 0.217 131 R C 2.172 178.601 176.300 0.216 0.000 1.074 131 R CA 0.442 56.664 56.100 0.203 0.000 0.991 131 R CB -0.133 30.287 30.300 0.201 0.000 0.895 131 R HN 0.143 nan 8.270 nan 0.000 0.450 132 E N 0.889 121.234 120.200 0.241 0.000 2.077 132 E HA -0.173 4.178 4.350 0.001 0.000 0.193 132 E C 1.561 178.242 176.600 0.135 0.000 0.989 132 E CA 1.193 57.698 56.400 0.176 0.000 0.800 132 E CB -0.090 29.621 29.700 0.018 0.000 0.746 132 E HN 0.194 nan 8.360 nan 0.000 0.452 133 F N 0.720 120.640 119.950 -0.051 0.000 2.146 133 F HA -0.056 4.471 4.527 0.002 0.000 0.298 133 F C 2.170 177.950 175.800 -0.033 0.000 1.096 133 F CA 1.821 59.729 58.000 -0.153 0.000 1.275 133 F CB -0.615 38.206 39.000 -0.298 0.000 1.008 133 F HN 0.070 nan 8.300 nan 0.000 0.480 134 G N 0.259 109.165 108.800 0.177 0.000 2.556 134 G HA2 -0.408 3.552 3.960 0.001 0.000 0.220 134 G HA3 -0.408 3.552 3.960 0.001 0.000 0.220 134 G C 1.658 176.556 174.900 -0.004 0.000 1.156 134 G CA 1.201 46.360 45.100 0.098 0.000 0.766 134 G HN 0.469 nan 8.290 nan 0.000 0.583 135 F N 1.194 121.095 119.950 -0.082 0.000 2.046 135 F HA -0.061 4.467 4.527 0.001 0.000 0.297 135 F C 2.336 178.053 175.800 -0.138 0.000 1.123 135 F CA 1.611 59.561 58.000 -0.084 0.000 1.199 135 F CB -0.551 38.425 39.000 -0.040 0.000 0.972 135 F HN 0.128 nan 8.300 nan 0.000 0.474 136 I N 0.962 121.269 120.570 -0.438 0.000 2.163 136 I HA -0.151 4.020 4.170 0.001 0.000 0.243 136 I C 2.576 178.382 176.117 -0.517 0.000 1.085 136 I CA 1.994 62.964 61.300 -0.550 0.000 1.347 136 I CB -1.283 36.556 38.000 -0.268 0.000 1.044 136 I HN 0.271 nan 8.210 nan 0.000 0.408 137 G N -0.388 108.118 108.800 -0.490 0.000 2.440 137 G HA2 -0.260 3.701 3.960 0.001 0.000 0.218 137 G HA3 -0.260 3.701 3.960 0.001 0.000 0.218 137 G C 1.729 176.333 174.900 -0.493 0.000 1.154 137 G CA 0.802 45.580 45.100 -0.536 0.000 0.767 137 G HN 0.597 nan 8.290 nan 0.000 0.552 138 A N 0.898 123.481 122.820 -0.395 0.000 1.898 138 A HA 0.031 4.352 4.320 0.001 0.000 0.216 138 A C 2.319 179.696 177.584 -0.345 0.000 1.181 138 A CA 2.064 53.921 52.037 -0.300 0.000 0.620 138 A CB -0.389 18.497 19.000 -0.190 0.000 0.819 138 A HN 0.340 nan 8.150 nan 0.000 0.442 139 R N -0.009 120.155 120.500 -0.560 0.000 2.120 139 R HA 0.017 4.358 4.340 0.001 0.000 0.234 139 R C 1.616 177.726 176.300 -0.317 0.000 1.123 139 R CA 2.046 57.828 56.100 -0.530 0.000 0.975 139 R CB -0.630 29.124 30.300 -0.910 0.000 0.866 139 R HN 0.500 nan 8.270 nan 0.000 0.446 140 M N 1.052 120.468 119.600 -0.307 0.000 2.561 140 M HA 0.145 4.626 4.480 0.001 0.000 0.238 140 M C -0.279 175.921 176.300 -0.167 0.000 1.131 140 M CA 0.091 55.269 55.300 -0.202 0.000 1.046 140 M CB 0.390 32.883 32.600 -0.178 0.000 1.532 140 M HN -0.010 nan 8.290 nan 0.000 0.497 141 R N 0.763 121.155 120.500 -0.180 0.000 3.301 141 R HA -0.183 4.158 4.340 0.001 0.000 0.249 141 R C -0.772 175.439 176.300 -0.149 0.000 0.964 141 R CA 0.621 56.639 56.100 -0.137 0.000 0.653 141 R CB -2.822 27.437 30.300 -0.069 0.000 1.043 141 R HN 0.572 nan 8.270 nan 0.000 0.454 142 Q N 1.152 120.798 119.800 -0.257 0.000 2.390 142 Q HA 0.148 4.488 4.340 0.001 0.000 0.249 142 Q C 0.047 175.828 176.000 -0.365 0.000 0.996 142 Q CA -0.297 55.342 55.803 -0.274 0.000 0.899 142 Q CB 1.123 29.672 28.738 -0.315 0.000 1.216 142 Q HN 0.215 nan 8.270 nan 0.000 0.465 143 Q N 3.114 122.841 119.800 -0.122 0.000 2.320 143 Q HA -0.010 4.331 4.340 0.001 0.000 0.262 143 Q C -0.650 175.405 176.000 0.093 0.000 1.225 143 Q CA 0.574 56.359 55.803 -0.031 0.000 0.916 143 Q CB 0.022 28.790 28.738 0.050 0.000 1.417 143 Q HN 0.486 nan 8.270 nan 0.000 0.462 144 H N -0.135 118.971 119.070 0.059 0.000 2.483 144 H HA 0.579 5.135 4.556 0.001 0.000 0.338 144 H C -0.332 175.036 175.328 0.067 0.000 1.152 144 H CA -1.011 55.088 56.048 0.085 0.000 1.264 144 H CB 1.314 31.136 29.762 0.100 0.000 1.510 144 H HN 0.629 nan 8.280 nan 0.000 0.530 145 A N 1.757 124.672 122.820 0.157 0.000 2.294 145 A HA 0.617 4.937 4.320 0.001 0.000 0.330 145 A C -0.580 176.993 177.584 -0.018 0.000 1.133 145 A CA -0.645 51.419 52.037 0.046 0.000 0.836 145 A CB 0.702 19.684 19.000 -0.030 0.000 1.190 145 A HN 0.485 nan 8.150 nan 0.000 0.492 146 V N -0.584 119.331 119.914 0.002 0.000 2.686 146 V HA 0.715 4.836 4.120 0.001 0.000 0.306 146 V C -0.723 175.385 176.094 0.024 0.000 1.065 146 V CA -0.722 61.587 62.300 0.014 0.000 0.894 146 V CB 1.100 32.944 31.823 0.034 0.000 1.004 146 V HN 0.609 nan 8.190 nan 0.000 0.424 147 V N 2.936 122.882 119.914 0.053 0.000 2.444 147 V HA 0.507 4.627 4.120 0.001 0.000 0.294 147 V C 0.356 176.587 176.094 0.228 0.000 1.022 147 V CA -0.073 62.284 62.300 0.095 0.000 0.850 147 V CB 2.127 33.956 31.823 0.010 0.000 0.992 147 V HN 1.055 nan 8.190 nan 0.000 0.426 148 T N 3.707 118.373 114.554 0.187 0.000 2.856 148 T HA 0.744 5.095 4.350 0.001 0.000 0.292 148 T C 0.314 175.125 174.700 0.186 0.000 0.980 148 T CA 0.103 62.337 62.100 0.224 0.000 1.091 148 T CB 1.342 70.323 68.868 0.190 0.000 0.936 148 T HN 1.231 nan 8.240 nan 0.000 0.503 149 G N 1.198 110.093 108.800 0.159 0.000 2.376 149 G HA2 0.224 4.185 3.960 0.001 0.000 0.302 149 G HA3 0.224 4.185 3.960 0.001 0.000 0.302 149 G C -1.221 173.698 174.900 0.031 0.000 1.586 149 G CA -1.017 44.149 45.100 0.110 0.000 0.907 149 G HN 0.875 nan 8.290 nan 0.000 0.655 150 H N 0.896 119.908 119.070 -0.097 0.000 2.929 150 H HA 0.030 4.587 4.556 0.001 0.000 0.358 150 H C 1.441 176.669 175.328 -0.166 0.000 1.111 150 H CA 0.885 56.818 56.048 -0.193 0.000 1.409 150 H CB 0.624 30.239 29.762 -0.246 0.000 1.373 150 H HN 0.760 nan 8.280 nan 0.000 0.610 151 W N 4.064 124.740 121.300 -1.040 0.000 2.699 151 W HA -0.024 4.637 4.660 0.002 0.000 0.249 151 W C 0.281 176.681 176.519 -0.198 0.000 1.280 151 W CA 0.079 57.108 57.345 -0.528 0.000 1.345 151 W CB -0.112 28.947 29.460 -0.668 0.000 1.128 151 W HN 0.603 nan 8.180 nan 0.000 0.642 152 Q N 0.621 119.857 119.800 -0.941 0.000 2.319 152 Q HA -0.018 4.322 4.340 0.001 0.000 0.202 152 Q C 0.044 175.826 176.000 -0.363 0.000 0.896 152 Q CA -0.050 55.443 55.803 -0.516 0.000 0.942 152 Q CB 0.066 28.389 28.738 -0.692 0.000 1.083 152 Q HN -0.016 nan 8.270 nan 0.000 0.510 153 D N 1.418 121.588 120.400 -0.383 0.000 2.412 153 D HA -0.032 4.608 4.640 0.001 0.000 0.257 153 D C 0.496 176.396 176.300 -0.667 0.000 1.217 153 D CA 0.534 54.330 54.000 -0.340 0.000 0.897 153 D CB 0.905 41.605 40.800 -0.166 0.000 1.132 153 D HN -0.013 nan 8.370 nan 0.000 0.493 154 K N 2.515 122.666 120.400 -0.415 0.000 2.148 154 K HA -0.135 4.186 4.320 0.001 0.000 0.204 154 K C 1.902 178.401 176.600 -0.169 0.000 1.050 154 K CA 0.787 56.915 56.287 -0.265 0.000 0.942 154 K CB 0.155 32.642 32.500 -0.021 0.000 0.724 154 K HN 0.523 nan 8.250 nan 0.000 0.446 155 Q N 0.150 119.870 119.800 -0.135 0.000 2.135 155 Q HA -0.187 4.153 4.340 0.001 0.000 0.204 155 Q C 2.133 178.084 176.000 -0.082 0.000 0.981 155 Q CA 1.549 57.307 55.803 -0.075 0.000 0.856 155 Q CB -0.129 28.580 28.738 -0.049 0.000 0.902 155 Q HN 0.371 nan 8.270 nan 0.000 0.425 156 A N 0.322 123.054 122.820 -0.146 0.000 1.855 156 A HA -0.214 4.107 4.320 0.001 0.000 0.215 156 A C 1.492 178.996 177.584 -0.133 0.000 1.191 156 A CA 1.610 53.572 52.037 -0.124 0.000 0.613 156 A CB -1.077 17.885 19.000 -0.063 0.000 0.829 156 A HN 0.485 nan 8.150 nan 0.000 0.442 157 H N -0.931 118.081 119.070 -0.097 0.000 2.297 157 H HA -0.271 4.285 4.556 0.001 0.000 0.289 157 H C 2.189 177.466 175.328 -0.085 0.000 1.105 157 H CA 1.730 57.713 56.048 -0.108 0.000 1.219 157 H CB -0.059 29.665 29.762 -0.064 0.000 1.351 157 H HN 0.629 nan 8.280 nan 0.000 0.481 158 E N 1.069 121.306 120.200 0.061 0.000 2.049 158 E HA -0.182 4.169 4.350 0.001 0.000 0.198 158 E C 2.281 178.897 176.600 0.026 0.000 1.007 158 E CA 1.523 57.941 56.400 0.030 0.000 0.809 158 E CB 0.034 29.745 29.700 0.017 0.000 0.749 158 E HN 0.373 nan 8.360 nan 0.000 0.450 159 R N -0.108 120.398 120.500 0.009 0.000 2.092 159 R HA -0.037 4.303 4.340 0.001 0.000 0.231 159 R C 2.387 178.710 176.300 0.038 0.000 1.119 159 R CA 1.219 57.336 56.100 0.029 0.000 0.970 159 R CB -0.297 30.010 30.300 0.012 0.000 0.864 159 R HN 0.267 nan 8.270 nan 0.000 0.440 160 I N 0.366 120.904 120.570 -0.054 0.000 2.113 160 I HA -0.169 4.001 4.170 0.001 0.000 0.238 160 I C 2.511 178.682 176.117 0.091 0.000 1.070 160 I CA 1.865 63.118 61.300 -0.079 0.000 1.332 160 I CB -1.630 36.201 38.000 -0.282 0.000 1.044 160 I HN 0.284 nan 8.210 nan 0.000 0.402 161 G N 0.005 108.833 108.800 0.047 0.000 2.446 161 G HA2 -0.299 3.662 3.960 0.001 0.000 0.217 161 G HA3 -0.299 3.662 3.960 0.001 0.000 0.217 161 G C 1.870 176.816 174.900 0.078 0.000 1.168 161 G CA 1.215 46.345 45.100 0.050 0.000 0.771 161 G HN 0.417 nan 8.290 nan 0.000 0.551 162 S N -0.680 115.072 115.700 0.087 0.000 2.383 162 S HA -0.175 4.296 4.470 0.001 0.000 0.229 162 S C 1.945 176.636 174.600 0.152 0.000 1.030 162 S CA 1.701 59.960 58.200 0.097 0.000 1.002 162 S CB -0.371 62.884 63.200 0.092 0.000 0.829 162 S HN 0.632 nan 8.310 nan 0.000 0.467 163 W N 1.615 122.926 121.300 0.017 0.000 2.409 163 W HA -0.006 4.655 4.660 0.001 0.000 0.299 163 W C 2.080 178.625 176.519 0.044 0.000 1.203 163 W CA 1.334 58.698 57.345 0.031 0.000 1.298 163 W CB -0.257 29.214 29.460 0.019 0.000 1.127 163 W HN 0.239 nan 8.180 nan 0.000 0.528 164 M N 0.192 119.973 119.600 0.302 0.000 2.144 164 M HA -0.251 4.230 4.480 0.001 0.000 0.260 164 M C 2.193 178.476 176.300 -0.027 0.000 1.067 164 M CA 1.917 57.286 55.300 0.115 0.000 1.095 164 M CB -0.984 31.741 32.600 0.209 0.000 1.365 164 M HN 0.034 nan 8.290 nan 0.000 0.406 165 R N 0.307 120.833 120.500 0.043 0.000 2.096 165 R HA -0.183 4.158 4.340 0.001 0.000 0.240 165 R C 2.395 178.706 176.300 0.018 0.000 1.139 165 R CA 1.639 57.829 56.100 0.149 0.000 0.952 165 R CB -0.023 30.343 30.300 0.110 0.000 0.854 165 R HN 0.398 nan 8.270 nan 0.000 0.436 166 Q N -0.574 119.138 119.800 -0.147 0.000 2.123 166 Q HA -0.034 4.307 4.340 0.001 0.000 0.199 166 Q C 2.091 177.881 176.000 -0.351 0.000 0.966 166 Q CA 1.366 57.050 55.803 -0.199 0.000 0.845 166 Q CB -0.281 28.310 28.738 -0.245 0.000 0.907 166 Q HN 0.395 nan 8.270 nan 0.000 0.439 167 A N 0.675 123.138 122.820 -0.595 0.000 1.892 167 A HA -0.171 4.150 4.320 0.001 0.000 0.218 167 A C 2.431 179.780 177.584 -0.392 0.000 1.188 167 A CA 1.971 53.667 52.037 -0.569 0.000 0.631 167 A CB -0.769 17.808 19.000 -0.704 0.000 0.822 167 A HN 0.217 nan 8.150 nan 0.000 0.447 168 V N -0.500 119.195 119.914 -0.365 0.000 2.379 168 V HA -0.176 3.945 4.120 0.001 0.000 0.245 168 V C 2.788 178.607 176.094 -0.459 0.000 1.044 168 V CA 2.136 64.089 62.300 -0.579 0.000 1.036 168 V CB -0.764 30.720 31.823 -0.565 0.000 0.664 168 V HN 0.701 nan 8.190 nan 0.000 0.453 169 S N -0.177 115.372 115.700 -0.252 0.000 2.359 169 S HA -0.318 4.152 4.470 0.001 0.000 0.224 169 S C 2.169 176.769 174.600 -0.001 0.000 1.035 169 S CA 2.248 60.394 58.200 -0.089 0.000 1.018 169 S CB -0.335 62.899 63.200 0.056 0.000 0.876 169 S HN 0.584 nan 8.310 nan 0.000 0.448 170 K N -0.174 120.191 120.400 -0.058 0.000 2.097 170 K HA -0.086 4.234 4.320 0.001 0.000 0.206 170 K C 2.360 178.951 176.600 -0.014 0.000 1.049 170 K CA 1.385 57.652 56.287 -0.034 0.000 0.933 170 K CB -0.116 32.250 32.500 -0.223 0.000 0.717 170 K HN 0.388 nan 8.250 nan 0.000 0.442 171 Q N 0.250 119.990 119.800 -0.100 0.000 2.212 171 Q HA -0.115 4.226 4.340 0.001 0.000 0.199 171 Q C 1.438 177.512 176.000 0.124 0.000 0.950 171 Q CA 1.171 56.971 55.803 -0.005 0.000 0.863 171 Q CB 0.045 28.777 28.738 -0.009 0.000 0.944 171 Q HN 0.384 nan 8.270 nan 0.000 0.465 172 D N -0.061 120.357 120.400 0.030 0.000 2.117 172 D HA -0.103 4.538 4.640 0.001 0.000 0.198 172 D C 1.477 177.825 176.300 0.080 0.000 0.982 172 D CA 1.583 55.634 54.000 0.085 0.000 0.828 172 D CB 0.272 41.041 40.800 -0.053 0.000 0.967 172 D HN 0.125 nan 8.370 nan 0.000 0.464 173 T N -0.587 114.022 114.554 0.092 0.000 2.849 173 T HA -0.160 4.190 4.350 0.001 0.000 0.270 173 T C 1.870 176.661 174.700 0.153 0.000 1.066 173 T CA 0.901 63.102 62.100 0.169 0.000 1.130 173 T CB -0.242 68.800 68.868 0.289 0.000 0.864 173 T HN 0.057 nan 8.240 nan 0.000 0.481 174 R N 0.144 120.669 120.500 0.041 0.000 2.357 174 R HA 0.000 4.341 4.340 0.001 0.000 0.202 174 R C 0.879 176.952 176.300 -0.377 0.000 1.047 174 R CA 0.925 56.938 56.100 -0.145 0.000 1.034 174 R CB -0.100 30.068 30.300 -0.221 0.000 0.875 174 R HN 0.574 nan 8.270 nan 0.000 0.473 175 H N -2.212 116.896 119.070 0.064 0.000 3.398 175 H HA 0.186 4.743 4.556 0.001 0.000 0.260 175 H C -0.705 174.626 175.328 0.007 0.000 1.189 175 H CA -0.491 55.585 56.048 0.047 0.000 1.145 175 H CB 0.696 30.473 29.762 0.025 0.000 1.599 175 H HN 0.013 nan 8.280 nan 0.000 0.615 176 L N 2.377 123.645 121.223 0.076 0.000 2.410 176 L HA 0.187 4.527 4.340 0.001 0.000 0.273 176 L C -0.552 176.500 176.870 0.304 0.000 1.144 176 L CA 0.065 54.917 54.840 0.020 0.000 0.863 176 L CB 0.277 42.357 42.059 0.035 0.000 1.140 176 L HN 0.093 nan 8.230 nan 0.000 0.463 177 K N 4.658 125.371 120.400 0.522 0.000 2.425 177 K HA 0.405 4.725 4.320 0.001 0.000 0.259 177 K C -1.125 175.749 176.600 0.457 0.000 0.978 177 K CA -0.704 55.884 56.287 0.502 0.000 0.883 177 K CB 2.070 34.901 32.500 0.552 0.000 1.110 177 K HN 0.317 nan 8.250 nan 0.000 0.436 178 V N 2.519 122.604 119.914 0.285 0.000 2.498 178 V HA 0.123 4.243 4.120 0.001 0.000 0.279 178 V C -0.087 175.988 176.094 -0.032 0.000 1.048 178 V CA -0.810 61.566 62.300 0.128 0.000 0.967 178 V CB 1.199 33.083 31.823 0.103 0.000 0.988 178 V HN 0.906 nan 8.190 nan 0.000 0.473 179 C N 7.787 126.874 119.300 -0.356 0.000 2.294 179 C HA 0.517 4.978 4.460 0.001 0.000 0.319 179 C C 0.447 175.136 174.990 -0.502 0.000 1.164 179 C CA -0.944 57.648 59.018 -0.710 0.000 1.497 179 C CB -0.635 25.918 27.740 -1.978 0.000 2.061 179 C HN 0.945 nan 8.230 nan 0.000 0.438 180 R N 3.430 123.790 120.500 -0.233 0.000 2.539 180 R HA 0.338 4.678 4.340 0.001 0.000 0.275 180 R C -1.035 175.099 176.300 -0.278 0.000 1.077 180 R CA -0.008 55.999 56.100 -0.156 0.000 1.097 180 R CB 0.763 31.058 30.300 -0.009 0.000 1.018 180 R HN 0.692 nan 8.270 nan 0.000 0.483 181 F N 1.345 121.350 119.950 0.092 0.000 2.366 181 F HA 0.339 4.866 4.527 0.001 0.000 0.328 181 F C 1.018 176.853 175.800 0.057 0.000 1.180 181 F CA 0.043 58.081 58.000 0.063 0.000 1.232 181 F CB 0.955 39.965 39.000 0.016 0.000 1.513 181 F HN 0.869 nan 8.300 nan 0.000 0.540 182 G N 0.675 109.571 108.800 0.160 0.000 2.422 182 G HA2 -0.059 3.902 3.960 0.001 0.000 0.607 182 G HA3 -0.059 3.902 3.960 0.001 0.000 0.607 182 G C -1.756 173.186 174.900 0.069 0.000 1.270 182 G CA -1.003 44.160 45.100 0.104 0.000 0.992 182 G HN 0.300 nan 8.290 nan 0.000 0.499 183 D N -0.483 119.947 120.400 0.049 0.000 2.449 183 D HA 0.546 5.186 4.640 0.001 0.000 0.250 183 D C 0.572 176.895 176.300 0.039 0.000 1.050 183 D CA -0.658 53.371 54.000 0.048 0.000 1.024 183 D CB 0.901 41.722 40.800 0.035 0.000 1.218 183 D HN 0.424 nan 8.370 nan 0.000 0.566 184 N N 0.581 119.319 118.700 0.063 0.000 2.356 184 N HA -0.011 4.729 4.740 0.001 0.000 0.252 184 N C 0.264 175.769 175.510 -0.009 0.000 1.241 184 N CA 0.314 53.393 53.050 0.048 0.000 0.861 184 N CB 0.096 38.631 38.487 0.080 0.000 1.075 184 N HN 0.387 nan 8.380 nan 0.000 0.461 185 M N 2.155 121.721 119.600 -0.056 0.000 2.226 185 M HA -0.174 4.306 4.480 0.001 0.000 0.377 185 M C 0.122 176.405 176.300 -0.029 0.000 1.309 185 M CA 0.590 55.823 55.300 -0.111 0.000 0.874 185 M CB 0.342 32.890 32.600 -0.087 0.000 1.902 185 M HN 0.418 nan 8.290 nan 0.000 0.485 186 R N 4.069 124.553 120.500 -0.026 0.000 2.698 186 R HA -0.049 4.292 4.340 0.001 0.000 0.266 186 R C 0.585 176.901 176.300 0.028 0.000 1.026 186 R CA 0.040 56.147 56.100 0.011 0.000 1.102 186 R CB 0.209 30.518 30.300 0.017 0.000 0.978 186 R HN 0.777 nan 8.270 nan 0.000 0.436 187 E N -1.714 118.506 120.200 0.033 0.000 3.799 187 E HA -0.186 4.165 4.350 0.001 0.000 0.320 187 E C -0.618 176.008 176.600 0.044 0.000 0.760 187 E CA 0.938 57.361 56.400 0.037 0.000 1.153 187 E CB -1.430 28.292 29.700 0.037 0.000 1.589 187 E HN 0.316 nan 8.360 nan 0.000 0.448 188 V N 0.433 120.376 119.914 0.048 0.000 2.481 188 V HA 0.477 4.598 4.120 0.001 0.000 0.286 188 V C 1.331 177.456 176.094 0.053 0.000 1.042 188 V CA 0.673 63.010 62.300 0.061 0.000 0.928 188 V CB 1.597 33.465 31.823 0.075 0.000 0.986 188 V HN 0.302 nan 8.190 nan 0.000 0.462 189 A N 4.258 127.108 122.820 0.049 0.000 1.881 189 A HA 0.061 4.381 4.320 0.001 0.000 0.210 189 A C 1.951 179.539 177.584 0.006 0.000 1.239 189 A CA 1.183 53.239 52.037 0.032 0.000 0.629 189 A CB -0.487 18.531 19.000 0.030 0.000 0.906 189 A HN 0.687 nan 8.150 nan 0.000 0.460 190 V N 1.022 120.926 119.914 -0.017 0.000 2.324 190 V HA -0.252 3.868 4.120 0.001 0.000 0.250 190 V C 2.672 178.693 176.094 -0.122 0.000 1.060 190 V CA 2.434 64.688 62.300 -0.078 0.000 1.042 190 V CB -2.270 29.465 31.823 -0.147 0.000 0.650 190 V HN 0.739 nan 8.190 nan 0.000 0.450 191 T N -3.054 111.436 114.554 -0.107 0.000 3.113 191 T HA -0.032 4.318 4.350 0.001 0.000 0.263 191 T C 0.654 175.273 174.700 -0.136 0.000 1.143 191 T CA 0.664 62.678 62.100 -0.143 0.000 1.090 191 T CB -0.300 68.545 68.868 -0.039 0.000 0.922 191 T HN 0.495 nan 8.240 nan 0.000 0.521 192 D N 0.371 120.760 120.400 -0.018 0.000 2.387 192 D HA 0.691 5.332 4.640 0.001 0.000 0.255 192 D C 0.413 176.796 176.300 0.137 0.000 1.081 192 D CA 0.382 54.456 54.000 0.123 0.000 0.994 192 D CB 1.564 42.432 40.800 0.112 0.000 1.127 192 D HN 0.455 nan 8.370 nan 0.000 0.513 193 G N 0.256 109.253 108.800 0.328 0.000 2.327 193 G HA2 0.128 4.089 3.960 0.001 0.000 0.291 193 G HA3 0.128 4.089 3.960 0.001 0.000 0.291 193 G C -1.647 173.524 174.900 0.452 0.000 1.290 193 G CA -0.700 44.620 45.100 0.366 0.000 0.857 193 G HN 0.419 nan 8.290 nan 0.000 0.520 194 D N 0.275 120.902 120.400 0.379 0.000 2.428 194 D HA 0.336 4.977 4.640 0.001 0.000 0.221 194 D C 1.298 177.736 176.300 0.230 0.000 1.123 194 D CA -0.331 53.803 54.000 0.224 0.000 0.869 194 D CB 1.345 42.220 40.800 0.125 0.000 1.032 194 D HN 0.423 nan 8.370 nan 0.000 0.506 195 K N 1.549 121.921 120.400 -0.045 0.000 2.147 195 K HA -0.077 4.244 4.320 0.001 0.000 0.205 195 K C 1.890 178.397 176.600 -0.154 0.000 1.049 195 K CA 0.662 56.721 56.287 -0.379 0.000 0.936 195 K CB 0.337 32.484 32.500 -0.589 0.000 0.722 195 K HN 0.242 nan 8.250 nan 0.000 0.446 196 V N 1.375 121.247 119.914 -0.069 0.000 2.295 196 V HA -0.292 3.828 4.120 0.001 0.000 0.246 196 V C 2.349 178.442 176.094 -0.001 0.000 1.049 196 V CA 2.086 64.360 62.300 -0.043 0.000 1.024 196 V CB -0.702 31.104 31.823 -0.029 0.000 0.648 196 V HN 0.378 nan 8.190 nan 0.000 0.447 197 A N 0.001 122.863 122.820 0.070 0.000 1.892 197 A HA -0.225 4.095 4.320 0.001 0.000 0.218 197 A C 2.441 180.146 177.584 0.200 0.000 1.188 197 A CA 2.514 54.633 52.037 0.138 0.000 0.631 197 A CB -0.934 18.173 19.000 0.179 0.000 0.822 197 A HN 0.605 nan 8.150 nan 0.000 0.447 198 A N -1.020 121.957 122.820 0.261 0.000 1.851 198 A HA -0.278 4.043 4.320 0.001 0.000 0.216 198 A C 2.234 179.669 177.584 -0.249 0.000 1.195 198 A CA 2.030 54.131 52.037 0.107 0.000 0.622 198 A CB -0.783 18.297 19.000 0.133 0.000 0.831 198 A HN 0.651 nan 8.150 nan 0.000 0.444 199 Q N -0.566 119.076 119.800 -0.264 0.000 2.124 199 Q HA -0.149 4.191 4.340 0.001 0.000 0.202 199 Q C 1.949 177.857 176.000 -0.154 0.000 0.977 199 Q CA 1.525 57.185 55.803 -0.238 0.000 0.850 199 Q CB -0.277 28.377 28.738 -0.140 0.000 0.901 199 Q HN 0.746 nan 8.270 nan 0.000 0.429 200 I N 0.336 120.842 120.570 -0.108 0.000 2.045 200 I HA -0.323 3.847 4.170 0.001 0.000 0.233 200 I C 2.447 178.474 176.117 -0.150 0.000 1.048 200 I CA 1.472 62.715 61.300 -0.095 0.000 1.313 200 I CB -0.354 37.611 38.000 -0.057 0.000 1.043 200 I HN 0.130 nan 8.210 nan 0.000 0.393 201 K N 0.652 120.926 120.400 -0.210 0.000 2.034 201 K HA -0.210 4.110 4.320 0.001 0.000 0.214 201 K C 1.661 177.898 176.600 -0.606 0.000 1.051 201 K CA 2.232 58.240 56.287 -0.464 0.000 0.931 201 K CB -0.243 31.844 32.500 -0.689 0.000 0.715 201 K HN 0.221 nan 8.250 nan 0.000 0.446 202 F N -2.424 117.365 119.950 -0.269 0.000 2.694 202 F HA 0.301 4.829 4.527 0.001 0.000 0.292 202 F C 1.637 177.319 175.800 -0.195 0.000 1.121 202 F CA 0.410 58.239 58.000 -0.286 0.000 1.352 202 F CB 0.797 39.519 39.000 -0.464 0.000 1.107 202 F HN 0.282 nan 8.300 nan 0.000 0.597 203 G N 0.844 109.579 108.800 -0.109 0.000 2.225 203 G HA2 -0.320 3.641 3.960 0.001 0.000 0.254 203 G HA3 -0.320 3.641 3.960 0.001 0.000 0.254 203 G C 0.402 175.299 174.900 -0.004 0.000 0.988 203 G CA 0.163 45.225 45.100 -0.063 0.000 0.625 203 G HN 0.382 nan 8.290 nan 0.000 0.527 204 F N 2.267 122.275 119.950 0.097 0.000 2.389 204 F HA 0.737 5.265 4.527 0.001 0.000 0.337 204 F C 0.483 176.331 175.800 0.080 0.000 1.112 204 F CA -0.558 57.493 58.000 0.085 0.000 1.192 204 F CB 1.018 40.067 39.000 0.081 0.000 1.185 204 F HN 0.362 nan 8.300 nan 0.000 0.552 205 S N 1.980 117.885 115.700 0.341 0.000 2.537 205 S HA 0.829 5.299 4.470 0.001 0.000 0.301 205 S C -1.043 173.707 174.600 0.250 0.000 1.092 205 S CA -0.803 57.520 58.200 0.206 0.000 1.048 205 S CB 1.738 65.034 63.200 0.162 0.000 1.053 205 S HN 0.716 nan 8.310 nan 0.000 0.501 206 V N 2.295 122.261 119.914 0.086 0.000 2.588 206 V HA 0.627 4.748 4.120 0.001 0.000 0.304 206 V C -0.752 175.316 176.094 -0.044 0.000 1.042 206 V CA -0.640 61.663 62.300 0.005 0.000 0.877 206 V CB 1.409 33.089 31.823 -0.239 0.000 0.996 206 V HN 1.065 nan 8.190 nan 0.000 0.425 207 N N 1.056 119.781 118.700 0.041 0.000 2.504 207 N HA 0.544 5.284 4.740 0.001 0.000 0.268 207 N C -1.326 174.194 175.510 0.017 0.000 1.184 207 N CA -0.714 52.327 53.050 -0.015 0.000 0.875 207 N CB 2.300 40.789 38.487 0.003 0.000 1.630 207 N HN 0.598 nan 8.380 nan 0.000 0.486 208 T N 0.888 115.340 114.554 -0.170 0.000 2.756 208 T HA 0.303 4.654 4.350 0.001 0.000 0.290 208 T C -0.757 173.845 174.700 -0.164 0.000 0.985 208 T CA -0.355 61.700 62.100 -0.074 0.000 0.955 208 T CB 0.439 69.263 68.868 -0.073 0.000 0.930 208 T HN 0.165 nan 8.240 nan 0.000 0.451 209 W N 1.911 123.167 121.300 -0.074 0.000 2.381 209 W HA 0.580 5.240 4.660 0.001 0.000 0.329 209 W C 0.680 177.231 176.519 0.053 0.000 1.157 209 W CA -1.262 56.110 57.345 0.045 0.000 1.240 209 W CB 0.918 30.495 29.460 0.194 0.000 1.199 209 W HN 0.631 nan 8.180 nan 0.000 0.579 210 A N 1.766 124.731 122.820 0.241 0.000 2.531 210 A HA 0.144 4.465 4.320 0.001 0.000 0.236 210 A C 0.918 178.630 177.584 0.214 0.000 1.062 210 A CA -0.232 51.908 52.037 0.172 0.000 0.760 210 A CB 0.581 19.653 19.000 0.120 0.000 0.995 210 A HN 0.569 nan 8.150 nan 0.000 0.501 211 V N 3.397 123.413 119.914 0.170 0.000 2.392 211 V HA -0.253 3.868 4.120 0.001 0.000 0.249 211 V C 2.708 178.838 176.094 0.061 0.000 1.059 211 V CA 2.580 64.957 62.300 0.129 0.000 1.051 211 V CB -1.472 30.420 31.823 0.114 0.000 0.658 211 V HN 1.078 nan 8.190 nan 0.000 0.455 212 G N -0.410 108.436 108.800 0.077 0.000 2.432 212 G HA2 -0.249 3.712 3.960 0.001 0.000 0.219 212 G HA3 -0.249 3.712 3.960 0.001 0.000 0.219 212 G C 1.201 176.146 174.900 0.076 0.000 1.135 212 G CA 0.987 46.124 45.100 0.062 0.000 0.767 212 G HN 0.505 nan 8.290 nan 0.000 0.550 213 D N 0.038 120.518 120.400 0.133 0.000 2.117 213 D HA -0.096 4.545 4.640 0.001 0.000 0.197 213 D C 2.376 178.725 176.300 0.081 0.000 0.987 213 D CA 0.623 54.750 54.000 0.212 0.000 0.829 213 D CB -0.330 40.739 40.800 0.447 0.000 0.961 213 D HN 0.288 nan 8.370 nan 0.000 0.460 214 L N 0.492 121.616 121.223 -0.165 0.000 1.994 214 L HA -0.133 4.208 4.340 0.001 0.000 0.208 214 L C 2.242 178.993 176.870 -0.198 0.000 1.071 214 L CA 1.282 55.867 54.840 -0.426 0.000 0.745 214 L CB -0.578 41.086 42.059 -0.657 0.000 0.892 214 L HN -0.129 nan 8.230 nan 0.000 0.431 215 V N -0.141 119.699 119.914 -0.124 0.000 2.313 215 V HA -0.429 3.692 4.120 0.001 0.000 0.253 215 V C 2.694 178.773 176.094 -0.025 0.000 1.070 215 V CA 2.337 64.597 62.300 -0.066 0.000 1.057 215 V CB -0.658 31.153 31.823 -0.020 0.000 0.653 215 V HN 0.660 nan 8.190 nan 0.000 0.450 216 Q N -0.891 118.915 119.800 0.010 0.000 2.084 216 Q HA -0.176 4.164 4.340 0.001 0.000 0.202 216 Q C 2.195 178.219 176.000 0.041 0.000 0.978 216 Q CA 2.138 57.965 55.803 0.040 0.000 0.844 216 Q CB -0.043 28.741 28.738 0.075 0.000 0.898 216 Q HN 0.597 nan 8.270 nan 0.000 0.426 217 V N 0.150 120.097 119.914 0.055 0.000 2.453 217 V HA -0.194 3.927 4.120 0.001 0.000 0.247 217 V C 2.439 178.538 176.094 0.008 0.000 1.048 217 V CA 1.608 63.946 62.300 0.064 0.000 1.049 217 V CB -1.029 30.884 31.823 0.150 0.000 0.672 217 V HN 0.495 nan 8.190 nan 0.000 0.457 218 V N 0.258 120.148 119.914 -0.040 0.000 2.392 218 V HA -0.286 3.835 4.120 0.001 0.000 0.249 218 V C 2.088 178.162 176.094 -0.033 0.000 1.059 218 V CA 2.923 65.185 62.300 -0.063 0.000 1.051 218 V CB -0.691 nan 31.823 nan 0.000 0.658 218 V HN 0.516 nan 8.190 nan 0.000 0.455 219 N N 0.564 119.253 118.700 -0.017 0.000 2.446 219 N HA -0.061 4.680 4.740 0.001 0.000 0.179 219 N C 2.043 177.554 175.510 0.002 0.000 1.054 219 N CA 1.447 54.493 53.050 -0.006 0.000 0.905 219 N CB 0.185 38.673 38.487 0.001 0.000 0.973 219 N HN 0.764 nan 8.380 nan 0.000 0.448 220 S N 0.327 116.032 115.700 0.008 0.000 2.527 220 S HA 0.098 4.569 4.470 0.001 0.000 0.222 220 S C 1.015 175.620 174.600 0.008 0.000 0.985 220 S CA -0.300 57.907 58.200 0.013 0.000 0.921 220 S CB -0.503 62.711 63.200 0.022 0.000 0.772 220 S HN 0.224 nan 8.310 nan 0.000 0.529 221 I N 2.681 123.253 120.570 0.004 0.000 2.836 221 I HA 0.252 4.422 4.170 0.001 0.000 0.285 221 I C 0.677 176.795 176.117 0.001 0.000 1.174 221 I CA -0.489 60.812 61.300 0.001 0.000 1.405 221 I CB 0.235 38.233 38.000 -0.003 0.000 1.385 221 I HN 0.214 nan 8.210 nan 0.000 0.594 222 S N 2.102 117.802 115.700 -0.001 0.000 2.586 222 S HA 0.176 4.646 4.470 0.001 0.000 0.274 222 S C 0.398 174.997 174.600 -0.002 0.000 1.281 222 S CA -0.603 57.597 58.200 -0.001 0.000 1.035 222 S CB 1.654 64.853 63.200 -0.002 0.000 0.962 222 S HN 0.623 nan 8.310 nan 0.000 0.512 223 D N 3.141 123.540 120.400 -0.001 0.000 2.123 223 D HA 0.019 4.660 4.640 0.001 0.000 0.196 223 D C 2.164 178.461 176.300 -0.005 0.000 0.992 223 D CA 1.772 55.772 54.000 -0.000 0.000 0.833 223 D CB -0.966 39.835 40.800 0.001 0.000 0.954 223 D HN 0.764 nan 8.370 nan 0.000 0.455 224 G N 0.887 109.684 108.800 -0.006 0.000 2.513 224 G HA2 -0.307 3.654 3.960 0.001 0.000 0.219 224 G HA3 -0.307 3.654 3.960 0.001 0.000 0.219 224 G C 1.216 176.107 174.900 -0.016 0.000 1.160 224 G CA 1.262 46.356 45.100 -0.011 0.000 0.767 224 G HN 0.172 nan 8.290 nan 0.000 0.571 225 D N -0.307 120.084 120.400 -0.015 0.000 2.224 225 D HA 0.006 4.646 4.640 0.001 0.000 0.205 225 D C 2.706 178.991 176.300 -0.024 0.000 0.965 225 D CA 0.276 54.263 54.000 -0.021 0.000 0.852 225 D CB -0.166 40.624 40.800 -0.015 0.000 0.947 225 D HN 0.247 nan 8.370 nan 0.000 0.494 226 V N 1.239 121.145 119.914 -0.013 0.000 2.239 226 V HA -0.199 3.921 4.120 0.001 0.000 0.242 226 V C 1.928 178.015 176.094 -0.011 0.000 1.038 226 V CA 1.470 63.768 62.300 -0.004 0.000 1.002 226 V CB -0.481 31.348 31.823 0.010 0.000 0.641 226 V HN 0.095 nan 8.190 nan 0.000 0.449 227 N N 0.392 119.086 118.700 -0.010 0.000 2.289 227 N HA -0.104 4.637 4.740 0.001 0.000 0.184 227 N C 1.733 177.219 175.510 -0.041 0.000 1.016 227 N CA 1.410 54.452 53.050 -0.013 0.000 0.872 227 N CB -0.532 37.950 38.487 -0.008 0.000 0.973 227 N HN 0.498 nan 8.380 nan 0.000 0.433 228 A N 0.724 123.513 122.820 -0.051 0.000 1.865 228 A HA -0.127 4.194 4.320 0.001 0.000 0.217 228 A C 2.150 179.657 177.584 -0.128 0.000 1.191 228 A CA 1.196 53.190 52.037 -0.072 0.000 0.623 228 A CB -0.916 18.048 19.000 -0.060 0.000 0.826 228 A HN 0.268 nan 8.150 nan 0.000 0.444 229 L N -0.054 121.075 121.223 -0.157 0.000 2.191 229 L HA -0.086 4.255 4.340 0.001 0.000 0.212 229 L C 2.284 178.821 176.870 -0.555 0.000 1.103 229 L CA 1.566 56.218 54.840 -0.314 0.000 0.769 229 L CB -0.348 41.572 42.059 -0.232 0.000 0.908 229 L HN 0.151 nan 8.230 nan 0.000 0.438 230 V N -0.297 119.475 119.914 -0.236 0.000 2.490 230 V HA -0.256 3.865 4.120 0.001 0.000 0.250 230 V C 2.129 178.192 176.094 -0.051 0.000 1.061 230 V CA 1.758 64.037 62.300 -0.035 0.000 1.064 230 V CB -0.773 31.102 31.823 0.087 0.000 0.670 230 V HN 0.457 nan 8.190 nan 0.000 0.461 231 D N -0.131 120.205 120.400 -0.107 0.000 2.117 231 D HA -0.177 4.464 4.640 0.001 0.000 0.198 231 D C 2.135 178.366 176.300 -0.114 0.000 0.982 231 D CA 1.271 55.226 54.000 -0.076 0.000 0.828 231 D CB -0.174 40.584 40.800 -0.070 0.000 0.967 231 D HN 0.538 nan 8.370 nan 0.000 0.464 232 E N -0.595 119.473 120.200 -0.220 0.000 2.265 232 E HA -0.175 4.175 4.350 0.001 0.000 0.196 232 E C 1.667 178.146 176.600 -0.202 0.000 0.996 232 E CA 0.742 57.003 56.400 -0.232 0.000 0.832 232 E CB -0.011 29.530 29.700 -0.266 0.000 0.756 232 E HN 0.468 nan 8.360 nan 0.000 0.491 233 Y N 0.450 120.750 120.300 0.000 0.000 2.092 233 Y HA -0.150 4.400 4.550 0.001 0.000 0.282 233 Y C 2.363 178.268 175.900 0.008 0.000 1.126 233 Y CA 1.016 59.180 58.100 0.106 0.000 1.111 233 Y CB -0.163 38.423 38.460 0.210 0.000 0.987 233 Y HN 0.038 nan 8.280 nan 0.000 0.489 234 E N -0.051 120.260 120.200 0.185 0.000 2.171 234 E HA -0.246 4.105 4.350 0.001 0.000 0.197 234 E C 2.305 178.910 176.600 0.008 0.000 0.997 234 E CA 1.385 57.841 56.400 0.093 0.000 0.810 234 E CB -0.231 29.506 29.700 0.063 0.000 0.738 234 E HN 0.267 nan 8.360 nan 0.000 0.467 235 S N -0.061 115.609 115.700 -0.051 0.000 2.348 235 S HA -0.172 4.299 4.470 0.001 0.000 0.221 235 S C 2.152 176.655 174.600 -0.161 0.000 1.033 235 S CA 1.312 59.455 58.200 -0.095 0.000 1.010 235 S CB -0.380 62.753 63.200 -0.111 0.000 0.891 235 S HN 0.422 nan 8.310 nan 0.000 0.442 236 C N -0.047 119.047 119.300 -0.342 0.000 2.475 236 C HA 0.286 4.747 4.460 0.001 0.000 0.279 236 C C 0.598 175.322 174.990 -0.445 0.000 1.322 236 C CA -0.255 58.411 59.018 -0.586 0.000 1.734 236 C CB -1.078 25.919 27.740 -1.239 0.000 2.005 236 C HN 0.663 nan 8.230 nan 0.000 0.495 237 Y N -0.633 119.708 120.300 0.068 0.000 2.524 237 Y HA 0.349 4.900 4.550 0.001 0.000 0.344 237 Y C 0.492 176.420 175.900 0.046 0.000 1.012 237 Y CA -0.949 57.186 58.100 0.058 0.000 1.068 237 Y CB 0.530 39.031 38.460 0.068 0.000 1.249 237 Y HN -0.212 nan 8.280 nan 0.000 0.468 238 T N 4.297 118.977 114.554 0.209 0.000 2.799 238 T HA 0.172 4.522 4.350 0.001 0.000 0.296 238 T C -0.056 174.710 174.700 0.110 0.000 0.947 238 T CA -0.387 61.786 62.100 0.121 0.000 1.141 238 T CB -0.051 68.871 68.868 0.089 0.000 0.891 238 T HN 0.275 nan 8.240 nan 0.000 0.533 239 M N 4.220 123.872 119.600 0.086 0.000 2.084 239 M HA 0.225 4.706 4.480 0.001 0.000 0.351 239 M C 0.869 177.192 176.300 0.039 0.000 1.240 239 M CA -0.742 54.596 55.300 0.064 0.000 1.083 239 M CB 0.157 32.795 32.600 0.064 0.000 1.593 239 M HN 0.707 nan 8.290 nan 0.000 0.463 240 T N 1.187 115.755 114.554 0.024 0.000 2.898 240 T HA 0.247 4.597 4.350 0.001 0.000 0.301 240 T C -1.863 172.846 174.700 0.015 0.000 1.049 240 T CA -1.268 60.842 62.100 0.016 0.000 1.095 240 T CB 0.477 69.348 68.868 0.004 0.000 0.976 240 T HN 0.358 nan 8.240 nan 0.000 0.539 241 P HA -0.190 nan 4.420 nan 0.000 0.216 241 P C 1.783 179.093 177.300 0.017 0.000 1.157 241 P CA 1.887 64.999 63.100 0.020 0.000 0.880 241 P CB -0.381 31.330 31.700 0.019 0.000 0.791 242 A N -1.188 121.638 122.820 0.010 0.000 1.997 242 A HA -0.233 4.087 4.320 0.001 0.000 0.221 242 A C 2.098 179.683 177.584 0.002 0.000 1.172 242 A CA 2.554 54.595 52.037 0.006 0.000 0.645 242 A CB -1.839 17.160 19.000 -0.001 0.000 0.813 242 A HN 0.253 nan 8.150 nan 0.000 0.454 243 T N -0.893 113.660 114.554 -0.001 0.000 3.043 243 T HA 0.081 4.432 4.350 0.001 0.000 0.263 243 T C 0.959 175.659 174.700 0.000 0.000 1.094 243 T CA 0.568 62.664 62.100 -0.006 0.000 1.127 243 T CB -0.039 68.824 68.868 -0.009 0.000 0.905 243 T HN 0.523 nan 8.240 nan 0.000 0.490 244 Q N 0.186 119.989 119.800 0.004 0.000 2.454 244 Q HA 0.334 4.675 4.340 0.001 0.000 0.247 244 Q C 1.368 177.341 176.000 -0.045 0.000 1.028 244 Q CA -0.045 55.753 55.803 -0.007 0.000 0.910 244 Q CB 0.229 28.972 28.738 0.008 0.000 1.276 244 Q HN 0.200 nan 8.270 nan 0.000 0.489 245 I N 1.271 121.775 120.570 -0.111 0.000 2.322 245 I HA -0.467 3.704 4.170 0.001 0.000 0.235 245 I C 1.395 177.340 176.117 -0.287 0.000 0.967 245 I CA 1.675 62.821 61.300 -0.257 0.000 1.260 245 I CB -0.393 37.328 38.000 -0.466 0.000 0.968 245 I HN 0.739 nan 8.210 nan 0.000 0.398 246 H N 0.194 119.271 119.070 0.013 0.000 2.539 246 H HA 0.238 4.795 4.556 0.001 0.000 0.269 246 H C 1.160 176.492 175.328 0.007 0.000 0.980 246 H CA 0.506 56.559 56.048 0.009 0.000 1.152 246 H CB -0.595 29.171 29.762 0.008 0.000 1.407 246 H HN 0.350 nan 8.280 nan 0.000 0.564 247 G N 0.703 109.545 108.800 0.071 0.000 2.414 247 G HA2 0.126 4.086 3.960 0.001 0.000 0.236 247 G HA3 0.126 4.086 3.960 0.001 0.000 0.236 247 G C 1.086 176.007 174.900 0.034 0.000 1.293 247 G CA 0.434 45.561 45.100 0.045 0.000 0.869 247 G HN 0.506 nan 8.290 nan 0.000 0.556 248 E N 0.887 121.104 120.200 0.028 0.000 2.333 248 E HA -0.073 4.278 4.350 0.001 0.000 0.198 248 E C 1.595 178.201 176.600 0.011 0.000 1.007 248 E CA 1.395 57.807 56.400 0.020 0.000 0.845 248 E CB -0.164 29.544 29.700 0.014 0.000 0.766 248 E HN 0.431 nan 8.360 nan 0.000 0.507 249 K N -0.391 120.013 120.400 0.006 0.000 3.010 249 K HA 0.277 4.597 4.320 0.001 0.000 0.211 249 K C 1.284 177.880 176.600 -0.006 0.000 1.146 249 K CA -0.333 55.953 56.287 -0.002 0.000 1.070 249 K CB 0.757 33.253 32.500 -0.007 0.000 0.908 249 K HN 0.007 nan 8.250 nan 0.000 0.463 250 R N 0.475 120.974 120.500 -0.002 0.000 2.062 250 R HA 0.003 4.343 4.340 0.001 0.000 0.229 250 R C 1.543 177.841 176.300 -0.004 0.000 1.128 250 R CA 1.281 57.377 56.100 -0.007 0.000 0.960 250 R CB 0.046 30.337 30.300 -0.015 0.000 0.855 250 R HN 0.319 nan 8.270 nan 0.000 0.432 251 Q N 1.099 120.899 119.800 -0.000 0.000 2.217 251 Q HA -0.162 4.179 4.340 0.001 0.000 0.209 251 Q C 1.415 177.413 176.000 -0.003 0.000 0.988 251 Q CA 1.678 57.482 55.803 0.002 0.000 0.878 251 Q CB -0.355 28.385 28.738 0.003 0.000 0.909 251 Q HN 0.516 nan 8.270 nan 0.000 0.424 252 N N -0.902 117.792 118.700 -0.010 0.000 2.396 252 N HA -0.087 4.654 4.740 0.001 0.000 0.180 252 N C 1.634 177.126 175.510 -0.032 0.000 1.028 252 N CA 0.787 53.825 53.050 -0.020 0.000 0.893 252 N CB 0.266 38.738 38.487 -0.025 0.000 0.967 252 N HN 0.054 nan 8.380 nan 0.000 0.440 253 V N 1.444 121.342 119.914 -0.026 0.000 2.591 253 V HA -0.105 4.016 4.120 0.001 0.000 0.249 253 V C 2.186 178.295 176.094 0.025 0.000 1.053 253 V CA 0.945 63.225 62.300 -0.034 0.000 1.068 253 V CB -0.423 31.390 31.823 -0.017 0.000 0.689 253 V HN 0.255 nan 8.190 nan 0.000 0.462 254 L N -0.324 120.918 121.223 0.032 0.000 2.017 254 L HA -0.112 4.229 4.340 0.001 0.000 0.208 254 L C 2.747 179.638 176.870 0.034 0.000 1.073 254 L CA 1.371 56.239 54.840 0.046 0.000 0.745 254 L CB -0.704 41.371 42.059 0.027 0.000 0.894 254 L HN 0.271 nan 8.230 nan 0.000 0.432 255 E N 0.483 120.689 120.200 0.009 0.000 2.150 255 E HA -0.160 4.191 4.350 0.001 0.000 0.193 255 E C 2.296 178.889 176.600 -0.010 0.000 0.985 255 E CA 1.287 57.684 56.400 -0.004 0.000 0.814 255 E CB -0.289 29.402 29.700 -0.015 0.000 0.752 255 E HN 0.460 nan 8.360 nan 0.000 0.466 256 A N 1.689 124.499 122.820 -0.017 0.000 1.877 256 A HA -0.108 4.213 4.320 0.001 0.000 0.216 256 A C 2.464 180.069 177.584 0.035 0.000 1.186 256 A CA 2.231 54.248 52.037 -0.033 0.000 0.620 256 A CB -0.735 18.201 19.000 -0.107 0.000 0.822 256 A HN 0.275 nan 8.150 nan 0.000 0.443 257 A N 0.871 123.764 122.820 0.122 0.000 1.883 257 A HA -0.233 4.087 4.320 0.001 0.000 0.217 257 A C 2.261 179.901 177.584 0.093 0.000 1.186 257 A CA 2.122 54.295 52.037 0.227 0.000 0.624 257 A CB -0.626 18.534 19.000 0.266 0.000 0.822 257 A HN 0.744 nan 8.150 nan 0.000 0.444 258 R N -0.290 120.237 120.500 0.045 0.000 2.075 258 R HA 0.003 4.344 4.340 0.001 0.000 0.232 258 R C 1.893 178.179 176.300 -0.023 0.000 1.126 258 R CA 1.765 57.869 56.100 0.007 0.000 0.963 258 R CB -0.792 29.507 30.300 -0.001 0.000 0.858 258 R HN 0.437 nan 8.270 nan 0.000 0.435 259 I N 1.503 122.051 120.570 -0.036 0.000 2.335 259 I HA -0.227 3.944 4.170 0.001 0.000 0.251 259 I C 2.755 178.818 176.117 -0.090 0.000 1.129 259 I CA 1.580 62.829 61.300 -0.084 0.000 1.402 259 I CB -0.331 37.615 38.000 -0.090 0.000 1.069 259 I HN 0.423 nan 8.210 nan 0.000 0.424 260 E N 1.267 121.450 120.200 -0.030 0.000 2.047 260 E HA -0.197 4.154 4.350 0.001 0.000 0.191 260 E C 2.386 178.965 176.600 -0.035 0.000 0.987 260 E CA 1.065 57.455 56.400 -0.016 0.000 0.799 260 E CB 0.025 29.774 29.700 0.081 0.000 0.752 260 E HN 0.425 nan 8.360 nan 0.000 0.449 261 L N 0.188 121.402 121.223 -0.015 0.000 2.017 261 L HA -0.125 4.215 4.340 0.001 0.000 0.208 261 L C 2.657 179.505 176.870 -0.036 0.000 1.073 261 L CA 1.377 56.205 54.840 -0.020 0.000 0.745 261 L CB -0.723 41.330 42.059 -0.011 0.000 0.894 261 L HN 0.303 nan 8.230 nan 0.000 0.432 262 G N -0.418 108.351 108.800 -0.051 0.000 2.446 262 G HA2 -0.289 3.672 3.960 0.001 0.000 0.217 262 G HA3 -0.289 3.672 3.960 0.001 0.000 0.217 262 G C 1.620 176.467 174.900 -0.088 0.000 1.168 262 G CA 0.910 45.973 45.100 -0.061 0.000 0.771 262 G HN 0.215 nan 8.290 nan 0.000 0.551 263 M N -0.017 119.475 119.600 -0.180 0.000 2.175 263 M HA 0.027 4.508 4.480 0.001 0.000 0.264 263 M C 2.505 178.681 176.300 -0.206 0.000 1.063 263 M CA 1.301 56.433 55.300 -0.280 0.000 1.119 263 M CB -0.184 32.153 32.600 -0.438 0.000 1.377 263 M HN 0.225 nan 8.290 nan 0.000 0.415 264 K N 0.588 120.896 120.400 -0.154 0.000 2.103 264 K HA -0.170 4.151 4.320 0.001 0.000 0.204 264 K C 2.114 178.693 176.600 -0.037 0.000 1.052 264 K CA 1.202 57.419 56.287 -0.116 0.000 0.945 264 K CB 0.038 32.513 32.500 -0.041 0.000 0.722 264 K HN 0.183 nan 8.250 nan 0.000 0.443 265 R N -0.417 120.081 120.500 -0.003 0.000 2.073 265 R HA -0.093 4.247 4.340 0.001 0.000 0.229 265 R C 2.162 178.482 176.300 0.033 0.000 1.120 265 R CA 1.111 57.220 56.100 0.015 0.000 0.967 265 R CB -0.347 29.965 30.300 0.021 0.000 0.862 265 R HN 0.200 nan 8.270 nan 0.000 0.436 266 F N 1.043 120.954 119.950 -0.065 0.000 2.134 266 F HA -0.138 4.390 4.527 0.001 0.000 0.299 266 F C 1.683 177.483 175.800 0.001 0.000 1.097 266 F CA 1.451 59.435 58.000 -0.028 0.000 1.264 266 F CB 0.014 39.019 39.000 0.007 0.000 1.001 266 F HN 0.000 nan 8.300 nan 0.000 0.479 267 L N -0.408 120.897 121.223 0.135 0.000 2.156 267 L HA -0.132 4.209 4.340 0.001 0.000 0.208 267 L C 2.246 179.127 176.870 0.018 0.000 1.095 267 L CA 1.253 56.171 54.840 0.130 0.000 0.770 267 L CB -0.534 41.401 42.059 -0.206 0.000 0.914 267 L HN 0.117 nan 8.230 nan 0.000 0.439 268 E N -0.385 119.803 120.200 -0.021 0.000 2.072 268 E HA -0.195 4.155 4.350 0.001 0.000 0.190 268 E C 2.193 178.689 176.600 -0.173 0.000 0.982 268 E CA 0.786 57.158 56.400 -0.047 0.000 0.803 268 E CB 0.106 29.805 29.700 -0.001 0.000 0.755 268 E HN 0.478 nan 8.360 nan 0.000 0.453 269 Q N -0.586 119.086 119.800 -0.213 0.000 2.230 269 Q HA -0.031 4.310 4.340 0.001 0.000 0.202 269 Q C 2.056 177.794 176.000 -0.437 0.000 0.963 269 Q CA 0.990 56.634 55.803 -0.266 0.000 0.866 269 Q CB 0.185 28.793 28.738 -0.217 0.000 0.931 269 Q HN 0.273 nan 8.270 nan 0.000 0.452 270 G N -0.105 108.290 108.800 -0.676 0.000 2.623 270 G HA2 0.107 4.068 3.960 0.001 0.000 0.214 270 G HA3 0.107 4.068 3.960 0.001 0.000 0.214 270 G C 0.883 175.026 174.900 -1.262 0.000 1.138 270 G CA 0.311 44.691 45.100 -1.201 0.000 0.794 270 G HN 0.448 nan 8.290 nan 0.000 0.535 271 G N -0.701 107.631 108.800 -0.780 0.000 2.225 271 G HA2 -0.237 3.723 3.960 0.001 0.000 0.264 271 G HA3 -0.237 3.723 3.960 0.001 0.000 0.264 271 G C -0.005 174.532 174.900 -0.605 0.000 1.060 271 G CA -0.061 44.711 45.100 -0.546 0.000 0.833 271 G HN 0.267 nan 8.290 nan 0.000 0.498 272 F N -1.207 118.591 119.950 -0.253 0.000 2.380 272 F HA 0.705 5.232 4.527 0.001 0.000 0.319 272 F C 1.347 176.991 175.800 -0.259 0.000 1.113 272 F CA -0.561 57.330 58.000 -0.182 0.000 1.056 272 F CB 1.161 40.133 39.000 -0.047 0.000 1.289 272 F HN 0.119 nan 8.300 nan 0.000 0.515 273 H N -0.638 118.723 119.070 0.486 0.000 3.398 273 H HA 0.702 5.258 4.556 0.001 0.000 0.260 273 H C -0.360 175.236 175.328 0.446 0.000 1.189 273 H CA 0.149 56.410 56.048 0.354 0.000 1.145 273 H CB 0.638 30.493 29.762 0.155 0.000 1.599 273 H HN 0.576 nan 8.280 nan 0.000 0.615 274 A N 0.665 123.829 122.820 0.574 0.000 2.601 274 A HA 0.644 4.964 4.320 0.001 0.000 0.291 274 A C -1.868 175.958 177.584 0.403 0.000 1.075 274 A CA -0.766 51.514 52.037 0.404 0.000 0.671 274 A CB 1.415 20.498 19.000 0.139 0.000 1.277 274 A HN 0.237 nan 8.150 nan 0.000 0.417 275 F N -1.741 118.243 119.950 0.055 0.000 2.744 275 F HA 0.802 5.329 4.527 0.001 0.000 0.311 275 F C -0.436 175.346 175.800 -0.031 0.000 1.144 275 F CA -0.087 57.908 58.000 -0.007 0.000 0.938 275 F CB 0.992 40.058 39.000 0.110 0.000 1.292 275 F HN 1.074 nan 8.300 nan 0.000 0.444 276 T N -1.071 113.530 114.554 0.077 0.000 2.916 276 T HA 0.914 5.264 4.350 0.001 0.000 0.292 276 T C -0.653 174.228 174.700 0.301 0.000 1.064 276 T CA -0.103 61.937 62.100 -0.101 0.000 1.011 276 T CB 1.846 70.626 68.868 -0.146 0.000 1.152 276 T HN 1.400 nan 8.240 nan 0.000 0.510 277 T N -1.832 112.839 114.554 0.195 0.000 2.865 277 T HA 0.736 5.086 4.350 0.001 0.000 0.294 277 T C -0.728 174.053 174.700 0.135 0.000 1.119 277 T CA -0.841 61.425 62.100 0.277 0.000 1.007 277 T CB 1.754 70.828 68.868 0.343 0.000 1.225 277 T HN 0.904 nan 8.240 nan 0.000 0.515 278 T N 1.036 115.654 114.554 0.107 0.000 2.991 278 T HA 0.439 4.790 4.350 0.001 0.000 0.303 278 T C 0.374 175.069 174.700 -0.008 0.000 1.015 278 T CA -0.862 61.222 62.100 -0.025 0.000 1.007 278 T CB 0.445 69.262 68.868 -0.086 0.000 1.034 278 T HN 0.627 nan 8.240 nan 0.000 0.446 279 F N 2.922 122.934 119.950 0.103 0.000 2.546 279 F HA 0.295 4.822 4.527 0.001 0.000 0.298 279 F C 1.340 177.167 175.800 0.045 0.000 1.120 279 F CA 0.480 58.520 58.000 0.067 0.000 1.456 279 F CB -0.565 38.474 39.000 0.064 0.000 1.088 279 F HN 0.597 nan 8.300 nan 0.000 0.572 280 E N 0.026 120.139 120.200 -0.145 0.000 2.494 280 E HA -0.033 4.318 4.350 0.001 0.000 0.193 280 E C -0.254 176.383 176.600 0.063 0.000 1.074 280 E CA 0.413 56.806 56.400 -0.011 0.000 0.867 280 E CB -0.135 29.476 29.700 -0.148 0.000 0.924 280 E HN 0.299 nan 8.360 nan 0.000 0.502 281 D N 0.349 120.795 120.400 0.078 0.000 2.826 281 D HA 0.113 4.754 4.640 0.001 0.000 0.239 281 D C -0.873 175.504 176.300 0.128 0.000 1.329 281 D CA -0.164 53.933 54.000 0.162 0.000 0.854 281 D CB 0.024 40.912 40.800 0.147 0.000 1.494 281 D HN -0.016 nan 8.370 nan 0.000 0.540 282 L N 2.474 123.718 121.223 0.035 0.000 3.209 282 L HA 0.343 4.683 4.340 0.001 0.000 0.279 282 L C -0.129 176.712 176.870 -0.048 0.000 1.301 282 L CA -0.630 54.212 54.840 0.002 0.000 1.004 282 L CB 0.079 42.135 42.059 -0.004 0.000 1.402 282 L HN 0.165 nan 8.230 nan 0.000 0.577 283 H N 0.720 119.802 119.070 0.021 0.000 2.955 283 H HA 0.362 4.919 4.556 0.001 0.000 0.290 283 H C 1.228 176.558 175.328 0.003 0.000 1.047 283 H CA 1.273 57.331 56.048 0.016 0.000 1.484 283 H CB 0.751 30.526 29.762 0.021 0.000 1.501 283 H HN 0.444 nan 8.280 nan 0.000 0.521 284 G N 2.717 111.564 108.800 0.078 0.000 2.213 284 G HA2 -0.236 3.725 3.960 0.001 0.000 0.236 284 G HA3 -0.236 3.725 3.960 0.001 0.000 0.236 284 G C 0.051 174.950 174.900 -0.001 0.000 0.991 284 G CA -0.293 44.831 45.100 0.040 0.000 0.629 284 G HN 0.519 nan 8.290 nan 0.000 0.517 285 L N 0.174 121.387 121.223 -0.018 0.000 2.334 285 L HA 0.664 5.005 4.340 0.001 0.000 0.277 285 L C 1.907 178.757 176.870 -0.034 0.000 1.075 285 L CA -0.071 54.745 54.840 -0.041 0.000 0.804 285 L CB 1.021 43.043 42.059 -0.061 0.000 1.174 285 L HN 0.204 nan 8.230 nan 0.000 0.438 286 K N 2.986 123.366 120.400 -0.033 0.000 2.103 286 K HA -0.028 4.292 4.320 0.001 0.000 0.204 286 K C 0.648 177.231 176.600 -0.028 0.000 1.052 286 K CA 1.279 57.550 56.287 -0.026 0.000 0.945 286 K CB -0.342 32.145 32.500 -0.022 0.000 0.722 286 K HN 0.821 nan 8.250 nan 0.000 0.443 287 Q N -1.553 118.226 119.800 -0.034 0.000 2.391 287 Q HA 0.575 4.916 4.340 0.001 0.000 0.279 287 Q C -1.033 174.948 176.000 -0.032 0.000 1.028 287 Q CA -1.141 54.642 55.803 -0.033 0.000 0.836 287 Q CB 1.260 29.977 28.738 -0.036 0.000 1.414 287 Q HN 0.106 nan 8.270 nan 0.000 0.397 288 L N 2.590 123.804 121.223 -0.016 0.000 2.559 288 L HA 0.205 4.545 4.340 0.001 0.000 0.274 288 L C -2.278 174.582 176.870 -0.018 0.000 1.205 288 L CA -0.730 54.115 54.840 0.008 0.000 0.907 288 L CB 0.076 42.162 42.059 0.045 0.000 1.153 288 L HN 0.495 nan 8.230 nan 0.000 0.490 289 P HA 0.096 nan 4.420 nan 0.000 0.259 289 P C 0.089 177.341 177.300 -0.080 0.000 1.211 289 P CA 0.407 63.468 63.100 -0.065 0.000 0.810 289 P CB 0.618 32.273 31.700 -0.075 0.000 0.815 290 G N 2.799 111.546 108.800 -0.089 0.000 2.534 290 G HA2 -0.019 3.942 3.960 0.001 0.000 0.220 290 G HA3 -0.019 3.942 3.960 0.001 0.000 0.220 290 G C 1.173 176.001 174.900 -0.120 0.000 1.699 290 G CA -0.201 44.837 45.100 -0.104 0.000 0.769 290 G HN 0.448 nan 8.290 nan 0.000 0.632 291 L N 0.947 122.097 121.223 -0.123 0.000 2.054 291 L HA -0.270 4.071 4.340 0.001 0.000 0.220 291 L C 3.139 179.968 176.870 -0.068 0.000 1.081 291 L CA 2.399 57.158 54.840 -0.136 0.000 0.780 291 L CB -0.342 41.590 42.059 -0.212 0.000 0.893 291 L HN 0.331 nan 8.230 nan 0.000 0.438 292 A N -1.012 121.775 122.820 -0.055 0.000 1.858 292 A HA -0.184 4.137 4.320 0.001 0.000 0.216 292 A C 2.149 179.720 177.584 -0.021 0.000 1.190 292 A CA 1.958 53.984 52.037 -0.019 0.000 0.617 292 A CB -0.963 18.006 19.000 -0.051 0.000 0.827 292 A HN 0.342 nan 8.150 nan 0.000 0.443 293 V N 0.091 119.951 119.914 -0.091 0.000 2.392 293 V HA -0.336 3.785 4.120 0.001 0.000 0.249 293 V C 2.657 178.653 176.094 -0.164 0.000 1.059 293 V CA 2.308 64.497 62.300 -0.185 0.000 1.051 293 V CB -0.947 30.498 31.823 -0.630 0.000 0.658 293 V HN 0.641 nan 8.190 nan 0.000 0.455 294 Q N -0.486 119.245 119.800 -0.114 0.000 2.050 294 Q HA -0.182 4.159 4.340 0.001 0.000 0.202 294 Q C 2.513 178.538 176.000 0.043 0.000 0.980 294 Q CA 1.545 57.331 55.803 -0.028 0.000 0.840 294 Q CB -0.192 28.541 28.738 -0.009 0.000 0.898 294 Q HN 0.588 nan 8.270 nan 0.000 0.424 295 R N 0.157 120.697 120.500 0.066 0.000 2.119 295 R HA 0.004 4.344 4.340 0.001 0.000 0.222 295 R C 2.298 178.694 176.300 0.160 0.000 1.088 295 R CA 0.656 56.832 56.100 0.126 0.000 0.984 295 R CB -0.149 30.253 30.300 0.169 0.000 0.884 295 R HN 0.241 nan 8.270 nan 0.000 0.447 296 L N 0.221 121.549 121.223 0.175 0.000 2.141 296 L HA -0.122 4.219 4.340 0.001 0.000 0.209 296 L C 2.506 179.603 176.870 0.377 0.000 1.094 296 L CA 1.169 56.192 54.840 0.305 0.000 0.763 296 L CB -0.301 41.918 42.059 0.266 0.000 0.908 296 L HN 0.210 nan 8.230 nan 0.000 0.437 297 M N -0.866 118.872 119.600 0.229 0.000 2.229 297 M HA -0.217 4.264 4.480 0.001 0.000 0.264 297 M C 2.374 178.761 176.300 0.145 0.000 1.063 297 M CA 1.543 56.951 55.300 0.179 0.000 1.114 297 M CB -0.199 32.461 32.600 0.101 0.000 1.387 297 M HN 0.307 nan 8.290 nan 0.000 0.420 298 Q N 0.305 120.181 119.800 0.128 0.000 2.123 298 Q HA -0.200 4.140 4.340 0.001 0.000 0.199 298 Q C 1.668 177.729 176.000 0.102 0.000 0.966 298 Q CA 1.351 57.212 55.803 0.097 0.000 0.845 298 Q CB 0.088 28.879 28.738 0.088 0.000 0.907 298 Q HN 0.574 nan 8.270 nan 0.000 0.439 299 Q N -1.612 118.275 119.800 0.144 0.000 2.311 299 Q HA 0.004 4.344 4.340 0.001 0.000 0.203 299 Q C 0.943 176.980 176.000 0.062 0.000 0.954 299 Q CA 0.854 56.733 55.803 0.126 0.000 0.885 299 Q CB 0.578 29.432 28.738 0.193 0.000 0.963 299 Q HN 0.607 nan 8.270 nan 0.000 0.471 300 G N -1.353 107.497 108.800 0.083 0.000 2.977 300 G HA2 -0.165 3.796 3.960 0.001 0.000 0.211 300 G HA3 -0.165 3.796 3.960 0.001 0.000 0.211 300 G C -0.460 174.449 174.900 0.015 0.000 0.994 300 G CA -0.734 44.361 45.100 -0.009 0.000 0.795 300 G HN 0.170 nan 8.290 nan 0.000 0.518 301 Y N 1.741 122.144 120.300 0.172 0.000 2.480 301 Y HA 0.439 4.990 4.550 0.001 0.000 0.338 301 Y C 1.524 177.504 175.900 0.133 0.000 1.220 301 Y CA 0.671 58.909 58.100 0.230 0.000 1.430 301 Y CB 0.769 39.499 38.460 0.449 0.000 1.311 301 Y HN 0.239 nan 8.280 nan 0.000 0.575 302 G N 2.119 111.059 108.800 0.233 0.000 2.483 302 G HA2 0.347 4.308 3.960 0.001 0.000 0.248 302 G HA3 0.347 4.308 3.960 0.001 0.000 0.248 302 G C -1.663 173.181 174.900 -0.095 0.000 1.248 302 G CA -0.119 45.007 45.100 0.044 0.000 0.838 302 G HN 0.520 nan 8.290 nan 0.000 0.566 303 F N 0.983 120.691 119.950 -0.402 0.000 2.641 303 F HA 0.684 5.212 4.527 0.001 0.000 0.308 303 F C -0.544 174.799 175.800 -0.761 0.000 1.105 303 F CA -0.643 56.929 58.000 -0.714 0.000 0.964 303 F CB 1.837 40.337 39.000 -0.832 0.000 1.294 303 F HN 0.839 nan 8.300 nan 0.000 0.442 304 A N 2.574 124.185 122.820 -2.014 0.000 2.572 304 A HA 0.751 5.071 4.320 0.001 0.000 0.295 304 A C -0.608 175.656 177.584 -2.200 0.000 1.072 304 A CA -0.359 50.347 52.037 -2.217 0.000 0.691 304 A CB 1.063 19.359 19.000 -1.173 0.000 1.291 304 A HN 1.390 nan 8.150 nan 0.000 0.404 305 G N 0.459 108.289 108.800 -1.617 0.000 2.634 305 G HA2 0.468 4.428 3.960 0.001 0.000 0.255 305 G HA3 0.468 4.428 3.960 0.001 0.000 0.255 305 G C 0.268 175.101 174.900 -0.111 0.000 1.205 305 G CA 0.349 45.138 45.100 -0.519 0.000 0.884 305 G HN 1.598 nan 8.290 nan 0.000 0.549 306 E N -0.956 119.304 120.200 0.101 0.000 2.103 306 E HA -0.292 4.059 4.350 0.001 0.000 0.186 306 E C 1.104 177.724 176.600 0.033 0.000 1.392 306 E CA 1.051 57.496 56.400 0.075 0.000 0.691 306 E CB -2.089 27.707 29.700 0.160 0.000 1.068 306 E HN 2.240 nan 8.360 nan 0.000 0.328 307 G N 0.927 109.713 108.800 -0.023 0.000 2.168 307 G HA2 -0.369 3.591 3.960 0.001 0.000 0.263 307 G HA3 -0.369 3.591 3.960 0.001 0.000 0.263 307 G C 0.007 174.934 174.900 0.045 0.000 0.977 307 G CA 0.344 45.459 45.100 0.025 0.000 0.659 307 G HN 0.644 nan 8.290 nan 0.000 0.533 308 D N 1.201 121.560 120.400 -0.068 0.000 2.508 308 D HA 0.192 4.833 4.640 0.001 0.000 0.224 308 D C 1.836 178.016 176.300 -0.199 0.000 1.171 308 D CA -0.402 53.529 54.000 -0.115 0.000 1.006 308 D CB -0.717 40.102 40.800 0.032 0.000 1.073 308 D HN 0.532 nan 8.370 nan 0.000 0.513 309 W N 3.176 124.417 121.300 -0.099 0.000 2.363 309 W HA -0.109 4.552 4.660 0.001 0.000 0.296 309 W C 1.071 177.501 176.519 -0.148 0.000 1.212 309 W CA 0.154 57.429 57.345 -0.116 0.000 1.260 309 W CB -0.605 28.844 29.460 -0.018 0.000 1.131 309 W HN 0.203 nan 8.180 nan 0.000 0.530 310 K N 0.612 120.666 120.400 -0.577 0.000 2.026 310 K HA -0.114 4.207 4.320 0.001 0.000 0.208 310 K C 2.187 178.588 176.600 -0.332 0.000 1.048 310 K CA 2.564 58.559 56.287 -0.486 0.000 0.929 310 K CB -0.497 31.601 32.500 -0.671 0.000 0.713 310 K HN 0.031 nan 8.250 nan 0.000 0.439 311 T N 0.796 115.181 114.554 -0.281 0.000 2.904 311 T HA -0.039 4.312 4.350 0.001 0.000 0.267 311 T C 1.916 176.472 174.700 -0.239 0.000 1.059 311 T CA 1.049 63.036 62.100 -0.188 0.000 1.137 311 T CB -0.077 68.755 68.868 -0.060 0.000 0.879 311 T HN 0.287 nan 8.240 nan 0.000 0.467 312 A N 1.717 124.341 122.820 -0.327 0.000 1.855 312 A HA 0.236 4.556 4.320 0.001 0.000 0.215 312 A C 2.661 180.080 177.584 -0.274 0.000 1.191 312 A CA 1.685 53.508 52.037 -0.357 0.000 0.613 312 A CB -1.259 17.489 19.000 -0.420 0.000 0.829 312 A HN 0.472 nan 8.150 nan 0.000 0.442 313 A N -0.192 122.431 122.820 -0.328 0.000 1.849 313 A HA -0.175 4.146 4.320 0.001 0.000 0.217 313 A C 2.163 179.494 177.584 -0.422 0.000 1.202 313 A CA 2.015 53.746 52.037 -0.511 0.000 0.629 313 A CB -1.000 17.338 19.000 -1.105 0.000 0.834 313 A HN 0.771 nan 8.150 nan 0.000 0.447 314 L N -0.811 120.178 121.223 -0.390 0.000 1.997 314 L HA -0.227 4.114 4.340 0.001 0.000 0.216 314 L C 2.368 179.103 176.870 -0.225 0.000 1.074 314 L CA 2.461 57.116 54.840 -0.308 0.000 0.763 314 L CB -0.662 41.242 42.059 -0.257 0.000 0.890 314 L HN 0.438 nan 8.230 nan 0.000 0.434 315 L N -0.339 120.785 121.223 -0.164 0.000 1.997 315 L HA -0.278 4.063 4.340 0.001 0.000 0.216 315 L C 2.728 179.547 176.870 -0.086 0.000 1.074 315 L CA 2.351 57.136 54.840 -0.092 0.000 0.763 315 L CB -0.777 41.256 42.059 -0.043 0.000 0.890 315 L HN 0.393 nan 8.230 nan 0.000 0.434 316 R N 0.005 120.450 120.500 -0.092 0.000 2.105 316 R HA -0.125 4.215 4.340 0.001 0.000 0.239 316 R C 2.108 178.357 176.300 -0.086 0.000 1.135 316 R CA 2.065 58.132 56.100 -0.054 0.000 0.967 316 R CB -0.864 29.424 30.300 -0.021 0.000 0.861 316 R HN 0.589 nan 8.270 nan 0.000 0.442 317 I N -0.275 120.213 120.570 -0.137 0.000 2.315 317 I HA -0.249 3.922 4.170 0.001 0.000 0.248 317 I C 2.214 178.245 176.117 -0.143 0.000 1.117 317 I CA 1.450 62.672 61.300 -0.130 0.000 1.404 317 I CB -0.200 37.708 38.000 -0.153 0.000 1.071 317 I HN 0.198 nan 8.210 nan 0.000 0.419 318 M N -0.165 119.334 119.600 -0.168 0.000 2.288 318 M HA -0.095 4.386 4.480 0.001 0.000 0.266 318 M C 2.191 178.446 176.300 -0.076 0.000 1.072 318 M CA 1.308 56.517 55.300 -0.152 0.000 1.132 318 M CB -0.174 32.321 32.600 -0.175 0.000 1.386 318 M HN 0.058 nan 8.290 nan 0.000 0.432 319 K N 0.273 120.642 120.400 -0.052 0.000 1.973 319 K HA -0.120 4.200 4.320 0.001 0.000 0.212 319 K C 1.940 178.533 176.600 -0.012 0.000 1.047 319 K CA 1.437 57.714 56.287 -0.016 0.000 0.937 319 K CB -0.500 32.000 32.500 -0.001 0.000 0.721 319 K HN 0.093 nan 8.250 nan 0.000 0.440 320 V N 2.159 122.050 119.914 -0.037 0.000 2.231 320 V HA -0.369 3.751 4.120 0.001 0.000 0.250 320 V C 2.450 178.522 176.094 -0.037 0.000 1.058 320 V CA 2.223 64.486 62.300 -0.061 0.000 1.022 320 V CB -0.442 31.319 31.823 -0.104 0.000 0.640 320 V HN 0.462 nan 8.190 nan 0.000 0.445 321 M N 0.741 120.319 119.600 -0.037 0.000 2.143 321 M HA -0.230 4.251 4.480 0.001 0.000 0.258 321 M C 2.187 178.547 176.300 0.100 0.000 1.071 321 M CA 2.566 57.881 55.300 0.024 0.000 1.088 321 M CB -0.272 32.313 32.600 -0.024 0.000 1.360 321 M HN 0.623 nan 8.290 nan 0.000 0.404 322 S N -1.333 114.403 115.700 0.059 0.000 2.527 322 S HA 0.010 4.480 4.470 0.001 0.000 0.222 322 S C 0.786 175.450 174.600 0.106 0.000 0.985 322 S CA 0.258 58.496 58.200 0.065 0.000 0.921 322 S CB -0.930 62.287 63.200 0.029 0.000 0.772 322 S HN 0.469 nan 8.310 nan 0.000 0.529 323 T N 2.752 117.404 114.554 0.163 0.000 2.781 323 T HA 0.302 4.652 4.350 0.001 0.000 0.270 323 T C 1.259 176.046 174.700 0.145 0.000 1.022 323 T CA 1.567 63.788 62.100 0.202 0.000 1.144 323 T CB -0.477 68.623 68.868 0.386 0.000 1.039 323 T HN 1.265 nan 8.240 nan 0.000 0.494 324 G N 2.595 111.443 108.800 0.079 0.000 2.136 324 G HA2 -0.179 3.782 3.960 0.001 0.000 0.242 324 G HA3 -0.179 3.782 3.960 0.001 0.000 0.242 324 G C -0.075 174.827 174.900 0.004 0.000 0.989 324 G CA -0.110 45.002 45.100 0.020 0.000 0.682 324 G HN 0.652 nan 8.290 nan 0.000 0.522 325 L N -1.248 119.988 121.223 0.023 0.000 2.327 325 L HA 0.826 5.166 4.340 0.001 0.000 0.258 325 L C 0.794 177.676 176.870 0.021 0.000 1.024 325 L CA -0.492 54.358 54.840 0.016 0.000 0.825 325 L CB 1.768 43.841 42.059 0.023 0.000 1.386 325 L HN 0.277 nan 8.230 nan 0.000 0.417 326 Q N 0.963 120.772 119.800 0.016 0.000 2.678 326 Q HA 0.563 4.904 4.340 0.001 0.000 0.222 326 Q C 0.248 176.269 176.000 0.035 0.000 1.281 326 Q CA 0.265 56.077 55.803 0.015 0.000 0.994 326 Q CB 0.569 29.307 28.738 -0.000 0.000 1.452 326 Q HN 0.962 nan 8.270 nan 0.000 0.570 327 G N -0.808 108.026 108.800 0.055 0.000 2.530 327 G HA2 0.446 4.407 3.960 0.001 0.000 0.081 327 G HA3 0.446 4.407 3.960 0.001 0.000 0.081 327 G C 0.594 175.562 174.900 0.113 0.000 1.062 327 G CA 0.595 45.761 45.100 0.109 0.000 1.108 327 G HN 1.275 nan 8.290 nan 0.000 0.466 328 G N -1.419 107.461 108.800 0.134 0.000 2.477 328 G HA2 0.552 4.513 3.960 0.001 0.000 0.197 328 G HA3 0.552 4.513 3.960 0.001 0.000 0.197 328 G C 0.136 175.093 174.900 0.094 0.000 1.860 328 G CA 1.438 46.626 45.100 0.147 0.000 0.714 328 G HN 1.968 nan 8.290 nan 0.000 0.782 329 T N -0.395 114.206 114.554 0.078 0.000 0.957 329 T HA 0.129 4.480 4.350 0.001 0.000 0.730 329 T C -0.474 174.288 174.700 0.103 0.000 0.983 329 T CA 0.713 62.846 62.100 0.056 0.000 3.858 329 T CB -1.552 67.325 68.868 0.016 0.000 2.186 329 T HN 1.369 nan 8.240 nan 0.000 0.390 330 S N 2.164 117.949 115.700 0.142 0.000 2.537 330 S HA 0.720 5.191 4.470 0.001 0.000 0.270 330 S C -0.588 174.109 174.600 0.161 0.000 1.142 330 S CA -1.044 57.247 58.200 0.151 0.000 0.870 330 S CB 1.200 64.481 63.200 0.135 0.000 1.112 330 S HN 0.840 nan 8.310 nan 0.000 0.466 331 F N 3.938 123.897 119.950 0.015 0.000 2.595 331 F HA 0.625 5.152 4.527 0.001 0.000 0.359 331 F C -0.179 175.613 175.800 -0.014 0.000 1.147 331 F CA 0.345 58.328 58.000 -0.027 0.000 1.341 331 F CB 0.724 39.697 39.000 -0.044 0.000 1.104 331 F HN 0.672 nan 8.300 nan 0.000 0.603 332 M N 5.192 124.215 119.600 -0.961 0.000 2.323 332 M HA 0.250 4.730 4.480 0.001 0.000 0.278 332 M C -1.792 174.238 176.300 -0.452 0.000 1.069 332 M CA -0.298 54.665 55.300 -0.562 0.000 0.950 332 M CB 1.632 34.119 32.600 -0.189 0.000 1.879 332 M HN 0.691 nan 8.290 nan 0.000 0.491 333 E N 1.838 121.879 120.200 -0.264 0.000 2.183 333 E HA 0.438 4.789 4.350 0.001 0.000 0.271 333 E C -1.164 175.485 176.600 0.081 0.000 0.919 333 E CA -0.623 55.792 56.400 0.024 0.000 0.781 333 E CB 1.113 30.879 29.700 0.110 0.000 1.140 333 E HN 0.675 nan 8.360 nan 0.000 0.402 334 D N 4.035 124.528 120.400 0.154 0.000 2.367 334 D HA 0.007 4.648 4.640 0.001 0.000 0.255 334 D C -0.239 176.073 176.300 0.020 0.000 1.300 334 D CA 0.256 54.319 54.000 0.105 0.000 0.959 334 D CB 0.287 41.143 40.800 0.093 0.000 1.064 334 D HN 0.408 nan 8.370 nan 0.000 0.509 335 Y N 1.372 121.533 120.300 -0.233 0.000 2.389 335 Y HA 0.152 4.703 4.550 0.001 0.000 0.292 335 Y C 0.889 176.583 175.900 -0.343 0.000 1.117 335 Y CA 0.486 58.435 58.100 -0.253 0.000 1.195 335 Y CB 0.822 39.159 38.460 -0.204 0.000 1.076 335 Y HN 0.309 nan 8.280 nan 0.000 0.548 336 T N -0.913 113.436 114.554 -0.342 0.000 2.893 336 T HA 0.407 4.758 4.350 0.001 0.000 0.337 336 T C -2.225 172.209 174.700 -0.442 0.000 1.587 336 T CA -0.497 61.327 62.100 -0.459 0.000 1.066 336 T CB 0.169 68.860 68.868 -0.296 0.000 1.414 336 T HN -0.207 nan 8.240 nan 0.000 0.488 337 Y N 2.515 122.669 120.300 -0.244 0.000 2.457 337 Y HA 0.570 5.121 4.550 0.001 0.000 0.333 337 Y C 0.504 176.206 175.900 -0.330 0.000 1.119 337 Y CA -1.079 56.784 58.100 -0.395 0.000 1.143 337 Y CB 1.065 39.139 38.460 -0.644 0.000 1.230 337 Y HN 0.557 nan 8.280 nan 0.000 0.469 338 H N 3.303 122.201 119.070 -0.286 0.000 2.539 338 H HA 0.383 4.939 4.556 0.001 0.000 0.332 338 H C -1.879 173.239 175.328 -0.350 0.000 1.031 338 H CA -0.819 55.094 56.048 -0.225 0.000 1.206 338 H CB 0.499 30.174 29.762 -0.145 0.000 1.446 338 H HN 0.584 nan 8.280 nan 0.000 0.496 339 F N 3.355 123.109 119.950 -0.328 0.000 2.436 339 F HA 0.324 4.851 4.527 0.001 0.000 0.340 339 F C 0.304 175.960 175.800 -0.240 0.000 1.113 339 F CA -0.360 57.523 58.000 -0.195 0.000 1.022 339 F CB 1.584 40.494 39.000 -0.150 0.000 1.128 339 F HN 0.552 nan 8.300 nan 0.000 0.466 340 E N 3.191 123.470 120.200 0.131 0.000 2.451 340 E HA 0.138 4.489 4.350 0.001 0.000 0.295 340 E C -1.488 175.175 176.600 0.105 0.000 0.966 340 E CA -0.917 55.548 56.400 0.108 0.000 0.808 340 E CB 1.134 30.955 29.700 0.201 0.000 1.242 340 E HN 0.513 nan 8.360 nan 0.000 0.412 341 K N 1.960 122.401 120.400 0.070 0.000 2.438 341 K HA 0.005 4.325 4.320 0.001 0.000 0.270 341 K C 0.941 177.575 176.600 0.057 0.000 1.095 341 K CA 1.731 58.050 56.287 0.053 0.000 1.174 341 K CB -0.017 32.504 32.500 0.035 0.000 0.830 341 K HN 0.840 nan 8.250 nan 0.000 0.487 342 G N 3.090 111.921 108.800 0.052 0.000 2.284 342 G HA2 -0.358 3.603 3.960 0.001 0.000 0.247 342 G HA3 -0.358 3.603 3.960 0.001 0.000 0.247 342 G C 0.376 175.305 174.900 0.048 0.000 1.012 342 G CA 0.370 45.497 45.100 0.044 0.000 0.618 342 G HN 0.741 nan 8.290 nan 0.000 0.521 343 N N 0.780 119.522 118.700 0.071 0.000 2.571 343 N HA 0.225 4.965 4.740 0.001 0.000 0.298 343 N C -1.142 174.430 175.510 0.103 0.000 1.671 343 N CA -0.352 52.739 53.050 0.069 0.000 0.900 343 N CB 0.362 38.892 38.487 0.073 0.000 1.365 343 N HN 0.166 nan 8.380 nan 0.000 0.493 344 D N 1.394 121.829 120.400 0.059 0.000 2.390 344 D HA 0.257 4.897 4.640 0.001 0.000 0.249 344 D C -0.101 176.146 176.300 -0.089 0.000 1.144 344 D CA 0.639 54.629 54.000 -0.016 0.000 0.880 344 D CB 1.391 42.167 40.800 -0.040 0.000 1.182 344 D HN 0.303 nan 8.370 nan 0.000 0.451 345 L N 1.209 122.336 121.223 -0.160 0.000 2.376 345 L HA 0.550 4.891 4.340 0.001 0.000 0.258 345 L C -0.671 176.023 176.870 -0.294 0.000 1.013 345 L CA -1.181 53.536 54.840 -0.204 0.000 0.822 345 L CB 2.159 44.117 42.059 -0.170 0.000 1.388 345 L HN 0.010 nan 8.230 nan 0.000 0.413 346 V N 1.979 121.590 119.914 -0.505 0.000 2.581 346 V HA 0.492 4.613 4.120 0.001 0.000 0.303 346 V C -0.532 175.037 176.094 -0.874 0.000 1.041 346 V CA -0.614 61.269 62.300 -0.694 0.000 0.907 346 V CB 2.193 33.336 31.823 -1.134 0.000 0.994 346 V HN 0.487 nan 8.190 nan 0.000 0.442 347 L N 3.102 123.950 121.223 -0.625 0.000 2.325 347 L HA 0.885 5.225 4.340 0.001 0.000 0.281 347 L C 0.399 177.016 176.870 -0.422 0.000 1.004 347 L CA 0.038 54.587 54.840 -0.485 0.000 0.823 347 L CB 1.299 43.211 42.059 -0.246 0.000 1.236 347 L HN 0.800 nan 8.230 nan 0.000 0.415 348 G N 2.120 110.730 108.800 -0.316 0.000 2.434 348 G HA2 0.650 4.611 3.960 0.001 0.000 0.330 348 G HA3 0.650 4.611 3.960 0.001 0.000 0.330 348 G C -0.990 173.842 174.900 -0.115 0.000 1.155 348 G CA -0.045 45.047 45.100 -0.013 0.000 0.917 348 G HN 0.720 nan 8.290 nan 0.000 0.493 349 S N -0.709 114.857 115.700 -0.224 0.000 2.631 349 S HA 0.396 4.867 4.470 0.001 0.000 0.267 349 S C -1.589 172.689 174.600 -0.536 0.000 1.096 349 S CA -0.668 57.300 58.200 -0.386 0.000 0.911 349 S CB 0.473 63.427 63.200 -0.410 0.000 1.175 349 S HN 0.902 nan 8.310 nan 0.000 0.478 350 H N -0.250 118.456 119.070 -0.606 0.000 3.048 350 H HA 0.487 5.043 4.556 0.001 0.000 0.296 350 H C 1.070 176.138 175.328 -0.434 0.000 1.508 350 H CA -0.126 55.608 56.048 -0.524 0.000 1.250 350 H CB 1.252 30.966 29.762 -0.080 0.000 1.896 350 H HN 0.655 nan 8.280 nan 0.000 0.604 351 M N 0.186 119.702 119.600 -0.140 0.000 2.106 351 M HA -0.170 4.310 4.480 0.001 0.000 0.259 351 M C 1.126 177.419 176.300 -0.012 0.000 1.068 351 M CA 2.361 57.647 55.300 -0.023 0.000 1.100 351 M CB 0.107 32.743 32.600 0.060 0.000 1.351 351 M HN 0.422 nan 8.290 nan 0.000 0.404 352 L N -3.038 118.215 121.223 0.050 0.000 2.481 352 L HA 0.122 4.462 4.340 0.001 0.000 0.253 352 L C -0.033 176.826 176.870 -0.019 0.000 1.071 352 L CA -0.213 54.620 54.840 -0.012 0.000 1.189 352 L CB 0.403 42.455 42.059 -0.011 0.000 2.356 352 L HN -0.070 nan 8.230 nan 0.000 0.545 353 E N 2.255 122.485 120.200 0.050 0.000 1.972 353 E HA 0.218 4.569 4.350 0.001 0.000 0.292 353 E C -0.839 175.816 176.600 0.093 0.000 1.193 353 E CA 0.078 56.474 56.400 -0.007 0.000 1.228 353 E CB 0.343 29.989 29.700 -0.090 0.000 1.167 353 E HN 0.003 nan 8.360 nan 0.000 0.479 354 V N 1.362 121.297 119.914 0.036 0.000 2.384 354 V HA 0.150 4.271 4.120 0.001 0.000 0.287 354 V C 0.144 176.398 176.094 0.268 0.000 1.020 354 V CA -1.302 61.045 62.300 0.077 0.000 0.850 354 V CB 1.467 33.209 31.823 -0.136 0.000 0.987 354 V HN 0.578 nan 8.190 nan 0.000 0.436 355 C N 8.518 127.969 119.300 0.251 0.000 2.585 355 C HA 0.361 4.822 4.460 0.001 0.000 0.406 355 C C -0.546 174.522 174.990 0.131 0.000 1.312 355 C CA -1.167 57.963 59.018 0.187 0.000 1.924 355 C CB 0.494 28.311 27.740 0.128 0.000 2.578 355 C HN 0.829 nan 8.230 nan 0.000 0.580 356 P HA -0.017 nan 4.420 nan 0.000 0.253 356 P C 1.010 178.100 177.300 -0.350 0.000 1.281 356 P CA 0.808 63.565 63.100 -0.571 0.000 0.792 356 P CB -0.260 31.243 31.700 -0.328 0.000 1.193 357 S N 0.129 115.750 115.700 -0.131 0.000 2.489 357 S HA -0.043 4.428 4.470 0.001 0.000 0.228 357 S C 1.683 176.279 174.600 -0.006 0.000 0.995 357 S CA 0.185 58.359 58.200 -0.043 0.000 0.934 357 S CB -0.995 62.221 63.200 0.025 0.000 0.771 357 S HN 0.276 nan 8.310 nan 0.000 0.522 358 I N -0.553 120.014 120.570 -0.006 0.000 3.928 358 I HA 0.524 4.694 4.170 0.001 0.000 0.335 358 I C 0.638 176.804 176.117 0.082 0.000 1.325 358 I CA -0.498 60.888 61.300 0.143 0.000 1.107 358 I CB -1.029 37.096 38.000 0.208 0.000 1.014 358 I HN 0.226 nan 8.210 nan 0.000 0.400 359 A N 1.227 123.936 122.820 -0.185 0.000 2.259 359 A HA 0.570 4.891 4.320 0.001 0.000 0.278 359 A C 0.795 178.351 177.584 -0.045 0.000 1.107 359 A CA -0.154 51.767 52.037 -0.193 0.000 0.828 359 A CB 1.155 19.748 19.000 -0.679 0.000 1.111 359 A HN 0.178 nan 8.150 nan 0.000 0.498 360 V N 0.163 120.082 119.914 0.009 0.000 3.252 360 V HA 0.214 4.334 4.120 0.001 0.000 0.320 360 V C 0.069 176.176 176.094 0.021 0.000 1.459 360 V CA 0.542 62.855 62.300 0.021 0.000 1.095 360 V CB -1.292 30.557 31.823 0.043 0.000 0.997 360 V HN 0.956 nan 8.190 nan 0.000 0.469 361 E N -0.884 119.328 120.200 0.020 0.000 2.456 361 E HA 0.640 4.990 4.350 0.001 0.000 0.278 361 E C -1.444 175.185 176.600 0.049 0.000 1.034 361 E CA -1.066 55.359 56.400 0.041 0.000 0.846 361 E CB 1.502 31.241 29.700 0.065 0.000 1.460 361 E HN -0.051 nan 8.360 nan 0.000 0.463 362 E N 0.772 121.009 120.200 0.063 0.000 2.200 362 E HA 0.252 4.603 4.350 0.001 0.000 0.283 362 E C -1.380 175.295 176.600 0.125 0.000 1.015 362 E CA -0.372 56.082 56.400 0.091 0.000 0.819 362 E CB 1.044 30.784 29.700 0.066 0.000 1.081 362 E HN 0.242 nan 8.360 nan 0.000 0.397 363 K N 4.795 125.311 120.400 0.193 0.000 2.367 363 K HA 0.424 4.745 4.320 0.001 0.000 0.263 363 K C -2.524 174.162 176.600 0.142 0.000 1.000 363 K CA -2.067 54.326 56.287 0.177 0.000 0.891 363 K CB 1.380 33.982 32.500 0.170 0.000 1.117 363 K HN 0.206 nan 8.250 nan 0.000 0.443 364 P HA -0.007 nan 4.420 nan 0.000 0.266 364 P C -0.253 177.034 177.300 -0.022 0.000 1.195 364 P CA -0.064 63.064 63.100 0.048 0.000 0.768 364 P CB 0.532 32.251 31.700 0.032 0.000 0.838 365 I N 2.939 123.488 120.570 -0.035 0.000 3.531 365 I HA 0.145 4.316 4.170 0.001 0.000 0.341 365 I C 0.044 176.107 176.117 -0.090 0.000 1.550 365 I CA -0.798 60.432 61.300 -0.116 0.000 1.087 365 I CB -0.158 37.769 38.000 -0.122 0.000 1.408 365 I HN 0.160 nan 8.210 nan 0.000 0.484 366 L N 0.287 121.473 121.223 -0.061 0.000 2.479 366 L HA 0.090 4.431 4.340 0.001 0.000 0.270 366 L C 0.652 177.485 176.870 -0.062 0.000 1.236 366 L CA 1.092 55.903 54.840 -0.048 0.000 0.823 366 L CB 0.605 42.644 42.059 -0.034 0.000 1.098 366 L HN 0.194 nan 8.230 nan 0.000 0.500 367 D N 0.362 120.734 120.400 -0.046 0.000 2.584 367 D HA 0.047 4.688 4.640 0.001 0.000 0.254 367 D C 0.394 176.676 176.300 -0.031 0.000 1.085 367 D CA 1.182 55.157 54.000 -0.043 0.000 0.971 367 D CB 0.073 40.854 40.800 -0.031 0.000 1.103 367 D HN 0.283 nan 8.370 nan 0.000 0.453 368 V N 1.045 120.948 119.914 -0.019 0.000 5.620 368 V HA -0.256 3.865 4.120 0.001 0.000 0.192 368 V C 0.860 176.955 176.094 0.001 0.000 0.714 368 V CA 1.530 63.825 62.300 -0.008 0.000 0.544 368 V CB -1.963 29.852 31.823 -0.013 0.000 0.189 368 V HN 0.535 nan 8.190 nan 0.000 0.450 369 Q N 1.046 120.853 119.800 0.012 0.000 2.189 369 Q HA 0.198 4.539 4.340 0.001 0.000 0.221 369 Q C 0.447 176.468 176.000 0.034 0.000 0.848 369 Q CA 0.331 56.136 55.803 0.004 0.000 1.007 369 Q CB 0.112 28.842 28.738 -0.013 0.000 1.116 369 Q HN 0.938 nan 8.270 nan 0.000 0.481 370 H N 0.872 119.918 119.070 -0.040 0.000 3.082 370 H HA 0.370 4.927 4.556 0.001 0.000 0.275 370 H C -0.486 174.813 175.328 -0.048 0.000 1.032 370 H CA -0.242 55.781 56.048 -0.042 0.000 1.477 370 H CB 0.002 29.740 29.762 -0.040 0.000 1.520 370 H HN 0.371 nan 8.280 nan 0.000 0.521 371 L N 6.091 127.061 121.223 -0.422 0.000 2.356 371 L HA 0.229 4.570 4.340 0.001 0.000 0.264 371 L C 1.516 178.012 176.870 -0.623 0.000 1.029 371 L CA -0.302 54.273 54.840 -0.443 0.000 0.897 371 L CB 1.241 43.166 42.059 -0.223 0.000 1.256 371 L HN 0.950 nan 8.230 nan 0.000 0.444 372 G N 4.670 112.916 108.800 -0.923 0.000 2.529 372 G HA2 -0.223 3.738 3.960 0.001 0.000 0.219 372 G HA3 -0.223 3.738 3.960 0.001 0.000 0.219 372 G C 0.941 175.674 174.900 -0.277 0.000 1.177 372 G CA 0.235 45.050 45.100 -0.475 0.000 0.773 372 G HN 0.656 nan 8.290 nan 0.000 0.573 373 I N -1.214 119.167 120.570 -0.315 0.000 2.948 373 I HA 0.293 4.464 4.170 0.001 0.000 0.303 373 I C 1.559 177.491 176.117 -0.307 0.000 1.224 373 I CA 0.627 61.687 61.300 -0.400 0.000 1.442 373 I CB -0.026 37.620 38.000 -0.590 0.000 1.328 373 I HN 0.571 nan 8.210 nan 0.000 0.578 374 G N 3.494 112.159 108.800 -0.225 0.000 2.507 374 G HA2 -0.252 3.709 3.960 0.001 0.000 0.240 374 G HA3 -0.252 3.709 3.960 0.001 0.000 0.240 374 G C 1.191 176.088 174.900 -0.005 0.000 1.119 374 G CA 0.458 45.569 45.100 0.018 0.000 0.664 374 G HN 2.353 nan 8.290 nan 0.000 0.516 375 G N -0.471 108.295 108.800 -0.057 0.000 2.160 375 G HA2 -0.140 3.820 3.960 0.001 0.000 0.244 375 G HA3 -0.140 3.820 3.960 0.001 0.000 0.244 375 G C 0.307 175.189 174.900 -0.030 0.000 1.022 375 G CA 1.652 46.730 45.100 -0.036 0.000 0.741 375 G HN 0.977 nan 8.290 nan 0.000 0.508 376 K N -0.350 120.027 120.400 -0.038 0.000 2.296 376 K HA 0.488 4.808 4.320 0.001 0.000 0.243 376 K C -0.082 176.507 176.600 -0.018 0.000 1.082 376 K CA -0.934 55.336 56.287 -0.028 0.000 0.929 376 K CB 0.400 32.882 32.500 -0.030 0.000 1.353 376 K HN 0.056 nan 8.250 nan 0.000 0.536 377 D N 1.894 122.285 120.400 -0.015 0.000 2.423 377 D HA 0.016 4.656 4.640 0.001 0.000 0.238 377 D C -0.531 175.761 176.300 -0.013 0.000 1.142 377 D CA 0.241 54.236 54.000 -0.007 0.000 0.884 377 D CB 0.242 41.035 40.800 -0.011 0.000 1.199 377 D HN 0.166 nan 8.370 nan 0.000 0.438 378 D N 2.594 122.996 120.400 0.003 0.000 2.661 378 D HA 0.003 4.644 4.640 0.001 0.000 0.244 378 D C -2.028 174.256 176.300 -0.027 0.000 1.196 378 D CA -0.227 53.770 54.000 -0.003 0.000 0.881 378 D CB -0.000 40.806 40.800 0.011 0.000 1.141 378 D HN 0.136 nan 8.370 nan 0.000 0.530 379 P HA 0.275 nan 4.420 nan 0.000 0.284 379 P C -1.015 176.242 177.300 -0.071 0.000 1.258 379 P CA -0.760 62.307 63.100 -0.056 0.000 0.824 379 P CB 1.100 32.766 31.700 -0.056 0.000 1.038 380 A N 3.430 126.194 122.820 -0.094 0.000 2.401 380 A HA 0.556 4.876 4.320 0.001 0.000 0.259 380 A C 0.459 177.959 177.584 -0.140 0.000 1.103 380 A CA -0.015 51.943 52.037 -0.131 0.000 0.789 380 A CB -0.039 18.850 19.000 -0.185 0.000 1.035 380 A HN 0.698 nan 8.150 nan 0.000 0.491 381 R N 2.581 122.992 120.500 -0.147 0.000 2.643 381 R HA 0.431 4.771 4.340 0.001 0.000 0.269 381 R C -2.226 173.980 176.300 -0.157 0.000 1.037 381 R CA -0.710 55.305 56.100 -0.143 0.000 0.894 381 R CB 0.096 30.329 30.300 -0.112 0.000 1.238 381 R HN 0.513 nan 8.270 nan 0.000 0.459 382 L N 3.450 124.583 121.223 -0.149 0.000 2.290 382 L HA 0.478 4.819 4.340 0.001 0.000 0.284 382 L C 0.227 177.067 176.870 -0.050 0.000 1.078 382 L CA -0.634 54.142 54.840 -0.108 0.000 0.815 382 L CB 0.788 42.799 42.059 -0.080 0.000 1.162 382 L HN 0.477 nan 8.230 nan 0.000 0.435 383 I N 4.587 125.137 120.570 -0.034 0.000 2.354 383 I HA 0.456 4.627 4.170 0.001 0.000 0.292 383 I C -0.425 175.715 176.117 0.038 0.000 0.989 383 I CA -0.356 60.881 61.300 -0.105 0.000 1.188 383 I CB 0.972 38.926 38.000 -0.076 0.000 1.342 383 I HN 0.461 nan 8.210 nan 0.000 0.457 384 F N 4.092 124.015 119.950 -0.045 0.000 2.741 384 F HA 0.581 5.108 4.527 0.001 0.000 0.313 384 F C -1.392 174.394 175.800 -0.024 0.000 1.153 384 F CA -1.210 56.775 58.000 -0.025 0.000 0.931 384 F CB 1.048 40.038 39.000 -0.016 0.000 1.335 384 F HN 0.163 nan 8.300 nan 0.000 0.460 385 N N 0.250 119.133 118.700 0.305 0.000 2.430 385 N HA 0.467 5.207 4.740 0.001 0.000 0.298 385 N C -1.062 174.631 175.510 0.304 0.000 1.130 385 N CA -0.524 52.644 53.050 0.195 0.000 0.894 385 N CB 1.961 40.516 38.487 0.113 0.000 1.209 385 N HN 0.688 nan 8.380 nan 0.000 0.503 386 T N 1.406 116.087 114.554 0.213 0.000 2.882 386 T HA 0.189 4.540 4.350 0.001 0.000 0.287 386 T C 0.428 175.274 174.700 0.245 0.000 0.992 386 T CA -0.608 61.634 62.100 0.237 0.000 1.076 386 T CB 0.765 69.701 68.868 0.113 0.000 0.961 386 T HN 0.205 nan 8.240 nan 0.000 0.490 387 Q N 1.678 121.654 119.800 0.293 0.000 2.386 387 Q HA 0.111 4.451 4.340 0.001 0.000 0.282 387 Q C 0.421 176.519 176.000 0.162 0.000 1.050 387 Q CA 0.294 56.188 55.803 0.152 0.000 0.918 387 Q CB 0.241 28.956 28.738 -0.038 0.000 1.266 387 Q HN 0.560 nan 8.270 nan 0.000 0.423 388 T N 0.460 115.042 114.554 0.046 0.000 2.788 388 T HA 0.523 4.873 4.350 0.001 0.000 0.287 388 T C 0.450 175.156 174.700 0.010 0.000 1.007 388 T CA 0.331 62.474 62.100 0.071 0.000 1.005 388 T CB 0.856 69.748 68.868 0.040 0.000 1.012 388 T HN 0.875 nan 8.240 nan 0.000 0.530 389 G N 1.411 110.255 108.800 0.074 0.000 2.483 389 G HA2 -0.002 3.959 3.960 0.001 0.000 0.521 389 G HA3 -0.002 3.959 3.960 0.001 0.000 0.521 389 G C -3.233 171.723 174.900 0.094 0.000 1.278 389 G CA -1.105 44.020 45.100 0.041 0.000 0.965 389 G HN 0.649 nan 8.290 nan 0.000 0.504 390 P HA 0.568 nan 4.420 nan 0.000 0.287 390 P C -0.028 177.287 177.300 0.025 0.000 1.307 390 P CA 0.772 63.895 63.100 0.038 0.000 0.777 390 P CB 1.174 32.883 31.700 0.014 0.000 0.883 391 A N 4.515 127.296 122.820 -0.065 0.000 2.414 391 A HA 0.934 5.255 4.320 0.001 0.000 0.278 391 A C -0.135 177.236 177.584 -0.356 0.000 1.228 391 A CA -0.895 50.967 52.037 -0.293 0.000 0.857 391 A CB 0.990 19.547 19.000 -0.738 0.000 1.389 391 A HN 0.597 nan 8.150 nan 0.000 0.452 392 I N -2.319 117.954 120.570 -0.494 0.000 2.934 392 I HA 0.825 4.996 4.170 0.001 0.000 0.306 392 I C -0.995 174.836 176.117 -0.477 0.000 1.110 392 I CA -1.285 59.791 61.300 -0.373 0.000 1.019 392 I CB 2.278 40.154 38.000 -0.206 0.000 1.227 392 I HN 0.534 nan 8.210 nan 0.000 0.434 393 V N 0.952 120.693 119.914 -0.288 0.000 2.525 393 V HA 0.939 5.060 4.120 0.001 0.000 0.299 393 V C -0.129 176.003 176.094 0.063 0.000 1.034 393 V CA -0.561 61.627 62.300 -0.185 0.000 0.863 393 V CB 0.853 32.502 31.823 -0.289 0.000 0.999 393 V HN 1.101 nan 8.190 nan 0.000 0.423 394 A N 3.312 126.169 122.820 0.061 0.000 2.318 394 A HA 0.893 5.214 4.320 0.001 0.000 0.324 394 A C -0.017 177.657 177.584 0.150 0.000 1.170 394 A CA -0.276 51.818 52.037 0.096 0.000 0.810 394 A CB 1.687 20.667 19.000 -0.034 0.000 1.198 394 A HN 1.563 nan 8.150 nan 0.000 0.484 395 S N 2.377 118.162 115.700 0.141 0.000 2.605 395 S HA 0.534 5.005 4.470 0.001 0.000 0.308 395 S C -1.069 173.497 174.600 -0.057 0.000 1.113 395 S CA -0.503 57.740 58.200 0.072 0.000 1.049 395 S CB 0.673 63.964 63.200 0.151 0.000 1.001 395 S HN 1.164 nan 8.310 nan 0.000 0.480 396 L N 7.606 128.792 121.223 -0.062 0.000 2.257 396 L HA 0.711 5.052 4.340 0.001 0.000 0.290 396 L C -0.608 176.230 176.870 -0.054 0.000 1.044 396 L CA -0.317 54.484 54.840 -0.065 0.000 0.810 396 L CB 0.514 42.498 42.059 -0.125 0.000 1.193 396 L HN 0.733 nan 8.230 nan 0.000 0.425 397 I N 0.711 121.275 120.570 -0.009 0.000 2.797 397 I HA 0.612 4.782 4.170 0.001 0.000 0.307 397 I C -0.941 175.241 176.117 0.109 0.000 1.033 397 I CA -0.789 60.507 61.300 -0.007 0.000 1.071 397 I CB 1.898 39.856 38.000 -0.070 0.000 1.255 397 I HN 0.435 nan 8.210 nan 0.000 0.445 398 D N 4.204 124.637 120.400 0.054 0.000 2.392 398 D HA 0.350 4.991 4.640 0.001 0.000 0.228 398 D C 0.280 176.520 176.300 -0.100 0.000 1.074 398 D CA -0.335 53.644 54.000 -0.036 0.000 0.838 398 D CB 1.486 42.286 40.800 -0.000 0.000 1.067 398 D HN 0.689 nan 8.370 nan 0.000 0.511 399 L N 3.056 124.196 121.223 -0.138 0.000 2.599 399 L HA 0.216 4.556 4.340 0.001 0.000 0.230 399 L C 1.893 178.693 176.870 -0.116 0.000 1.141 399 L CA 0.548 55.324 54.840 -0.107 0.000 0.877 399 L CB -0.193 41.809 42.059 -0.095 0.000 1.009 399 L HN 0.775 nan 8.230 nan 0.000 0.447 400 G N 0.502 109.205 108.800 -0.161 0.000 2.729 400 G HA2 -0.334 3.626 3.960 0.001 0.000 0.216 400 G HA3 -0.334 3.626 3.960 0.001 0.000 0.216 400 G C 0.804 175.621 174.900 -0.139 0.000 1.252 400 G CA 0.295 45.323 45.100 -0.121 0.000 0.751 400 G HN 0.472 nan 8.290 nan 0.000 0.527 401 D N 1.277 121.599 120.400 -0.129 0.000 2.346 401 D HA 0.133 4.774 4.640 0.001 0.000 0.206 401 D C 1.184 177.392 176.300 -0.153 0.000 1.001 401 D CA 1.134 55.066 54.000 -0.114 0.000 0.871 401 D CB 0.322 41.077 40.800 -0.075 0.000 0.943 401 D HN 0.930 nan 8.370 nan 0.000 0.518 402 R N -1.682 118.684 120.500 -0.222 0.000 2.752 402 R HA 0.414 4.755 4.340 0.001 0.000 0.277 402 R C -1.759 174.347 176.300 -0.323 0.000 1.024 402 R CA -0.899 55.056 56.100 -0.242 0.000 0.866 402 R CB 0.362 30.605 30.300 -0.096 0.000 1.278 402 R HN -0.164 nan 8.270 nan 0.000 0.473 403 Y N 0.017 120.314 120.300 -0.005 0.000 2.457 403 Y HA 0.595 5.146 4.550 0.001 0.000 0.333 403 Y C 0.285 176.153 175.900 -0.053 0.000 1.119 403 Y CA -0.767 57.346 58.100 0.021 0.000 1.143 403 Y CB 1.736 40.291 38.460 0.160 0.000 1.230 403 Y HN 0.478 nan 8.280 nan 0.000 0.469 404 R N 2.499 123.064 120.500 0.108 0.000 2.628 404 R HA 0.663 5.003 4.340 0.001 0.000 0.288 404 R C -2.311 173.990 176.300 0.002 0.000 0.980 404 R CA -0.979 55.114 56.100 -0.012 0.000 0.891 404 R CB 1.448 31.704 30.300 -0.073 0.000 1.188 404 R HN 0.731 nan 8.270 nan 0.000 0.450 405 L N 4.965 126.183 121.223 -0.008 0.000 2.298 405 L HA 0.460 4.801 4.340 0.001 0.000 0.284 405 L C -1.833 175.004 176.870 -0.056 0.000 1.013 405 L CA -0.486 54.352 54.840 -0.003 0.000 0.824 405 L CB 1.412 43.525 42.059 0.090 0.000 1.221 405 L HN 0.591 nan 8.230 nan 0.000 0.418 406 L N 5.967 127.100 121.223 -0.150 0.000 2.309 406 L HA 0.690 5.030 4.340 0.001 0.000 0.282 406 L C -0.482 176.350 176.870 -0.063 0.000 1.036 406 L CA -0.332 54.375 54.840 -0.222 0.000 0.806 406 L CB 1.879 43.518 42.059 -0.701 0.000 1.220 406 L HN 0.354 nan 8.230 nan 0.000 0.429 407 V N 2.245 122.199 119.914 0.066 0.000 2.588 407 V HA 0.518 4.639 4.120 0.001 0.000 0.304 407 V C -0.707 175.525 176.094 0.231 0.000 1.042 407 V CA -0.677 61.715 62.300 0.153 0.000 0.877 407 V CB 2.047 33.917 31.823 0.079 0.000 0.996 407 V HN 0.742 nan 8.190 nan 0.000 0.425 408 N N 2.702 121.559 118.700 0.262 0.000 2.483 408 N HA 0.351 5.092 4.740 0.001 0.000 0.267 408 N C -0.652 174.868 175.510 0.018 0.000 0.998 408 N CA -0.276 52.884 53.050 0.182 0.000 0.918 408 N CB 1.247 39.866 38.487 0.221 0.000 1.215 408 N HN 0.687 nan 8.380 nan 0.000 0.500 409 C N 4.874 124.184 119.300 0.017 0.000 2.648 409 C HA 0.478 4.938 4.460 0.001 0.000 0.419 409 C C 0.904 175.869 174.990 -0.042 0.000 1.352 409 C CA -0.493 58.507 59.018 -0.030 0.000 1.816 409 C CB -1.953 25.788 27.740 0.002 0.000 2.598 409 C HN 0.643 nan 8.230 nan 0.000 0.598 410 I N 0.215 120.726 120.570 -0.100 0.000 3.174 410 I HA 0.661 4.831 4.170 0.001 0.000 0.313 410 I C -1.179 174.938 176.117 -0.001 0.000 1.155 410 I CA -0.552 60.710 61.300 -0.064 0.000 0.977 410 I CB 2.208 40.035 38.000 -0.287 0.000 1.248 410 I HN 0.327 nan 8.210 nan 0.000 0.453 411 D N 2.885 123.356 120.400 0.119 0.000 2.473 411 D HA 0.235 4.876 4.640 0.001 0.000 0.253 411 D C -0.645 175.804 176.300 0.249 0.000 1.233 411 D CA -0.123 53.964 54.000 0.145 0.000 0.908 411 D CB 2.299 43.164 40.800 0.109 0.000 1.170 411 D HN 0.783 nan 8.370 nan 0.000 0.558 412 T N -0.988 113.748 114.554 0.304 0.000 2.926 412 T HA 0.423 4.773 4.350 0.001 0.000 0.307 412 T C 0.581 175.415 174.700 0.223 0.000 1.059 412 T CA -0.505 61.813 62.100 0.363 0.000 1.122 412 T CB 1.262 70.418 68.868 0.479 0.000 0.972 412 T HN 0.203 nan 8.240 nan 0.000 0.545 413 V N -1.228 118.793 119.914 0.180 0.000 3.147 413 V HA 0.661 4.782 4.120 0.001 0.000 0.306 413 V C -0.431 175.704 176.094 0.068 0.000 1.209 413 V CA -1.647 60.712 62.300 0.098 0.000 1.023 413 V CB 1.814 33.676 31.823 0.065 0.000 1.059 413 V HN 1.049 nan 8.190 nan 0.000 0.435 414 K N 1.939 122.361 120.400 0.036 0.000 2.350 414 K HA 0.412 4.732 4.320 0.001 0.000 0.279 414 K C 0.444 177.036 176.600 -0.012 0.000 1.027 414 K CA 0.306 56.603 56.287 0.017 0.000 0.969 414 K CB 0.757 33.259 32.500 0.004 0.000 0.954 414 K HN 1.146 nan 8.250 nan 0.000 0.474 415 T N 2.638 117.183 114.554 -0.015 0.000 2.853 415 T HA 0.108 4.459 4.350 0.001 0.000 0.298 415 T C -1.360 173.311 174.700 -0.049 0.000 0.978 415 T CA -1.362 60.718 62.100 -0.034 0.000 1.152 415 T CB 0.848 69.704 68.868 -0.021 0.000 0.914 415 T HN 0.513 nan 8.240 nan 0.000 0.539 416 P HA -0.031 nan 4.420 nan 0.000 0.217 416 P C 0.225 177.344 177.300 -0.302 0.000 1.154 416 P CA 0.982 63.983 63.100 -0.165 0.000 0.841 416 P CB 0.157 31.774 31.700 -0.139 0.000 0.788 417 H N -0.436 118.606 119.070 -0.047 0.000 2.569 417 H HA 0.379 4.935 4.556 0.001 0.000 0.357 417 H C 0.469 175.778 175.328 -0.031 0.000 1.153 417 H CA -0.685 55.344 56.048 -0.030 0.000 1.193 417 H CB 1.897 31.645 29.762 -0.023 0.000 1.602 417 H HN 0.059 nan 8.280 nan 0.000 0.523 418 S N 1.827 117.578 115.700 0.085 0.000 2.669 418 S HA 0.372 4.843 4.470 0.001 0.000 0.270 418 S C 0.058 174.674 174.600 0.027 0.000 1.225 418 S CA -0.894 57.327 58.200 0.036 0.000 0.991 418 S CB 0.592 63.804 63.200 0.020 0.000 0.987 418 S HN 0.509 nan 8.310 nan 0.000 0.552 419 L N 2.014 123.240 121.223 0.004 0.000 2.506 419 L HA 0.351 4.691 4.340 0.001 0.000 0.247 419 L C -1.493 175.368 176.870 -0.014 0.000 1.141 419 L CA -1.463 53.371 54.840 -0.011 0.000 0.973 419 L CB 1.079 43.122 42.059 -0.027 0.000 1.319 419 L HN 0.662 nan 8.230 nan 0.000 0.455 420 P HA -0.059 nan 4.420 nan 0.000 0.225 420 P C 0.905 178.196 177.300 -0.015 0.000 1.156 420 P CA 0.884 63.979 63.100 -0.009 0.000 0.787 420 P CB 0.461 32.159 31.700 -0.003 0.000 0.802 421 K N -0.823 119.566 120.400 -0.019 0.000 2.323 421 K HA 0.105 4.426 4.320 0.001 0.000 0.197 421 K C 0.748 177.333 176.600 -0.025 0.000 1.043 421 K CA -0.201 56.073 56.287 -0.021 0.000 0.997 421 K CB -0.040 32.447 32.500 -0.022 0.000 0.807 421 K HN 0.097 nan 8.250 nan 0.000 0.497 422 L N 4.522 125.726 121.223 -0.030 0.000 2.407 422 L HA 0.098 4.439 4.340 0.001 0.000 0.282 422 L C -2.073 174.768 176.870 -0.048 0.000 1.110 422 L CA -1.382 53.436 54.840 -0.036 0.000 0.863 422 L CB 0.693 42.728 42.059 -0.040 0.000 1.207 422 L HN -0.091 nan 8.230 nan 0.000 0.454 423 P HA 0.081 nan 4.420 nan 0.000 0.249 423 P C -0.598 176.650 177.300 -0.087 0.000 1.544 423 P CA 0.143 63.208 63.100 -0.058 0.000 0.932 423 P CB 0.050 31.725 31.700 -0.042 0.000 1.524 424 V N -3.586 116.261 119.914 -0.111 0.000 3.074 424 V HA 0.916 5.037 4.120 0.001 0.000 0.314 424 V C -0.458 175.480 176.094 -0.261 0.000 1.117 424 V CA -1.608 60.588 62.300 -0.173 0.000 1.014 424 V CB 1.655 33.388 31.823 -0.150 0.000 1.057 424 V HN 0.060 nan 8.190 nan 0.000 0.438 425 A N 2.724 125.283 122.820 -0.435 0.000 2.388 425 A HA 0.656 4.976 4.320 0.001 0.000 0.257 425 A C 0.135 177.423 177.584 -0.493 0.000 1.095 425 A CA 0.160 51.767 52.037 -0.717 0.000 0.791 425 A CB -0.355 17.637 19.000 -1.680 0.000 1.029 425 A HN 1.478 nan 8.150 nan 0.000 0.489 426 N N 0.199 118.680 118.700 -0.365 0.000 2.443 426 N HA 0.705 5.446 4.740 0.001 0.000 0.293 426 N C -0.846 174.568 175.510 -0.160 0.000 1.159 426 N CA -0.005 52.918 53.050 -0.213 0.000 0.904 426 N CB 1.905 40.315 38.487 -0.128 0.000 1.214 426 N HN 0.769 nan 8.380 nan 0.000 0.513 427 A N 0.840 123.594 122.820 -0.110 0.000 2.402 427 A HA 0.597 4.918 4.320 0.001 0.000 0.291 427 A C -1.752 175.871 177.584 0.064 0.000 1.051 427 A CA -0.599 51.420 52.037 -0.030 0.000 0.716 427 A CB 0.607 19.485 19.000 -0.204 0.000 1.223 427 A HN 0.656 nan 8.150 nan 0.000 0.425 428 L N 3.390 124.668 121.223 0.091 0.000 2.313 428 L HA 0.958 5.298 4.340 0.001 0.000 0.283 428 L C -0.987 175.999 176.870 0.194 0.000 1.013 428 L CA -0.009 54.826 54.840 -0.008 0.000 0.816 428 L CB 1.006 43.037 42.059 -0.047 0.000 1.236 428 L HN 0.833 nan 8.230 nan 0.000 0.419 429 W N 3.476 124.792 121.300 0.026 0.000 3.118 429 W HA 0.625 5.286 4.660 0.001 0.000 0.328 429 W C -1.766 174.766 176.519 0.020 0.000 1.239 429 W CA -1.101 56.277 57.345 0.055 0.000 1.176 429 W CB 0.842 30.373 29.460 0.119 0.000 1.433 429 W HN 0.322 nan 8.180 nan 0.000 0.562 430 K N 2.404 122.983 120.400 0.299 0.000 2.211 430 K HA 0.625 4.945 4.320 0.001 0.000 0.275 430 K C -0.325 176.466 176.600 0.317 0.000 1.024 430 K CA -0.714 55.689 56.287 0.194 0.000 0.887 430 K CB 1.716 34.283 32.500 0.112 0.000 1.084 430 K HN 0.607 nan 8.250 nan 0.000 0.463 431 A N 4.124 127.105 122.820 0.268 0.000 2.316 431 A HA 0.101 4.422 4.320 0.001 0.000 0.311 431 A C 0.034 177.681 177.584 0.106 0.000 1.339 431 A CA -0.477 51.697 52.037 0.228 0.000 0.960 431 A CB 0.079 19.209 19.000 0.217 0.000 1.152 431 A HN 0.754 nan 8.150 nan 0.000 0.547 432 Q N 3.174 123.024 119.800 0.084 0.000 2.304 432 Q HA 0.001 4.341 4.340 0.001 0.000 0.301 432 Q C -1.197 174.826 176.000 0.040 0.000 1.063 432 Q CA -0.808 55.027 55.803 0.053 0.000 0.947 432 Q CB 0.962 29.726 28.738 0.044 0.000 1.201 432 Q HN 0.600 nan 8.270 nan 0.000 0.389 433 P HA -0.055 nan 4.420 nan 0.000 0.226 433 P C -0.956 176.357 177.300 0.023 0.000 1.161 433 P CA 1.045 64.159 63.100 0.023 0.000 0.804 433 P CB 0.433 32.140 31.700 0.012 0.000 0.829 434 D N -3.395 117.015 120.400 0.016 0.000 2.738 434 D HA 0.080 4.720 4.640 0.001 0.000 0.229 434 D C 0.700 176.996 176.300 -0.007 0.000 1.200 434 D CA -0.769 53.238 54.000 0.011 0.000 0.746 434 D CB 0.098 40.905 40.800 0.011 0.000 1.597 434 D HN -0.289 nan 8.370 nan 0.000 0.471 435 L N 0.604 121.808 121.223 -0.031 0.000 1.997 435 L HA -0.167 4.174 4.340 0.001 0.000 0.227 435 L C -0.676 176.158 176.870 -0.060 0.000 1.087 435 L CA 2.469 57.254 54.840 -0.091 0.000 0.797 435 L CB -1.216 40.719 42.059 -0.207 0.000 0.902 435 L HN 0.502 nan 8.230 nan 0.000 0.441 436 P HA -0.155 nan 4.420 nan 0.000 0.214 436 P C 1.572 178.864 177.300 -0.012 0.000 1.163 436 P CA 1.895 64.994 63.100 -0.003 0.000 0.889 436 P CB -0.098 31.607 31.700 0.008 0.000 0.790 437 T N -1.032 113.511 114.554 -0.019 0.000 2.857 437 T HA -0.013 4.338 4.350 0.001 0.000 0.266 437 T C 1.891 176.557 174.700 -0.057 0.000 1.048 437 T CA 1.362 63.438 62.100 -0.040 0.000 1.139 437 T CB -0.837 68.006 68.868 -0.040 0.000 0.874 437 T HN 0.037 nan 8.240 nan 0.000 0.455 438 A N 1.987 124.790 122.820 -0.028 0.000 1.898 438 A HA -0.096 4.224 4.320 0.001 0.000 0.216 438 A C 2.582 180.195 177.584 0.049 0.000 1.181 438 A CA 2.081 54.118 52.037 0.001 0.000 0.620 438 A CB -0.818 18.197 19.000 0.026 0.000 0.819 438 A HN 0.594 nan 8.150 nan 0.000 0.442 439 S N -0.204 115.513 115.700 0.027 0.000 2.345 439 S HA -0.171 4.300 4.470 0.001 0.000 0.219 439 S C 1.739 176.412 174.600 0.121 0.000 1.031 439 S CA 1.301 59.543 58.200 0.070 0.000 0.984 439 S CB -0.577 62.628 63.200 0.008 0.000 0.874 439 S HN 0.591 nan 8.310 nan 0.000 0.451 440 E N 1.946 122.180 120.200 0.057 0.000 2.048 440 E HA -0.179 4.172 4.350 0.001 0.000 0.202 440 E C 2.420 179.055 176.600 0.059 0.000 1.021 440 E CA 1.574 58.006 56.400 0.053 0.000 0.825 440 E CB -0.573 29.133 29.700 0.010 0.000 0.756 440 E HN 0.683 nan 8.360 nan 0.000 0.454 441 A N 0.986 123.771 122.820 -0.059 0.000 1.902 441 A HA -0.207 4.113 4.320 0.001 0.000 0.217 441 A C 1.978 179.605 177.584 0.073 0.000 1.181 441 A CA 1.327 53.209 52.037 -0.258 0.000 0.623 441 A CB -1.022 17.427 19.000 -0.919 0.000 0.818 441 A HN 0.602 nan 8.150 nan 0.000 0.443 442 W N 0.718 121.999 121.300 -0.032 0.000 2.333 442 W HA -0.189 4.471 4.660 0.001 0.000 0.316 442 W C 1.843 178.421 176.519 0.099 0.000 1.215 442 W CA 1.955 59.342 57.345 0.070 0.000 1.278 442 W CB -0.459 29.042 29.460 0.069 0.000 1.154 442 W HN 0.348 nan 8.180 nan 0.000 0.486 443 I N 0.594 121.392 120.570 0.380 0.000 2.286 443 I HA -0.360 3.810 4.170 0.001 0.000 0.248 443 I C 2.602 178.813 176.117 0.157 0.000 1.115 443 I CA 1.138 62.594 61.300 0.260 0.000 1.392 443 I CB -0.775 37.355 38.000 0.217 0.000 1.065 443 I HN -0.079 nan 8.210 nan 0.000 0.418 444 L N 0.452 121.774 121.223 0.164 0.000 2.046 444 L HA -0.177 4.164 4.340 0.001 0.000 0.208 444 L C 2.244 179.190 176.870 0.127 0.000 1.077 444 L CA 1.322 56.255 54.840 0.156 0.000 0.747 444 L CB -0.439 41.760 42.059 0.232 0.000 0.896 444 L HN 0.239 nan 8.230 nan 0.000 0.432 445 A N -0.682 122.224 122.820 0.143 0.000 2.370 445 A HA 0.454 4.774 4.320 0.001 0.000 0.238 445 A C 1.229 178.763 177.584 -0.084 0.000 1.289 445 A CA 0.507 52.564 52.037 0.034 0.000 0.885 445 A CB -0.604 18.458 19.000 0.103 0.000 0.961 445 A HN 0.500 nan 8.150 nan 0.000 0.499 446 G N -0.427 108.341 108.800 -0.054 0.000 2.514 446 G HA2 0.311 4.272 3.960 0.001 0.000 0.265 446 G HA3 0.311 4.272 3.960 0.001 0.000 0.265 446 G C 1.038 175.819 174.900 -0.199 0.000 1.150 446 G CA 0.319 45.372 45.100 -0.078 0.000 0.959 446 G HN 2.514 nan 8.290 nan 0.000 0.556 447 G N -1.165 107.487 108.800 -0.247 0.000 3.402 447 G HA2 0.488 4.449 3.960 0.001 0.000 0.686 447 G HA3 0.488 4.449 3.960 0.001 0.000 0.686 447 G C 0.405 175.359 174.900 0.089 0.000 0.983 447 G CA 0.817 45.664 45.100 -0.422 0.000 0.821 447 G HN 2.553 nan 8.290 nan 0.000 0.500 448 A N 2.307 125.195 122.820 0.113 0.000 2.386 448 A HA 0.619 4.940 4.320 0.001 0.000 0.246 448 A C 1.357 179.085 177.584 0.240 0.000 1.089 448 A CA 1.015 53.075 52.037 0.039 0.000 0.790 448 A CB 0.110 19.024 19.000 -0.144 0.000 1.042 448 A HN 2.087 nan 8.150 nan 0.000 0.497 449 H N -0.805 118.397 119.070 0.221 0.000 2.491 449 H HA 0.014 4.571 4.556 0.001 0.000 0.290 449 H C 0.486 175.958 175.328 0.239 0.000 1.050 449 H CA 1.481 57.634 56.048 0.176 0.000 1.309 449 H CB -0.674 29.137 29.762 0.082 0.000 1.392 449 H HN 0.744 nan 8.280 nan 0.000 0.554 450 H N 0.956 120.054 119.070 0.047 0.000 2.646 450 H HA 0.353 4.910 4.556 0.001 0.000 0.325 450 H C 0.178 175.584 175.328 0.130 0.000 1.075 450 H CA -0.060 56.082 56.048 0.157 0.000 1.421 450 H CB 0.970 30.855 29.762 0.205 0.000 1.461 450 H HN 0.519 nan 8.280 nan 0.000 0.525 451 T N -0.320 114.346 114.554 0.187 0.000 2.865 451 T HA 0.456 4.806 4.350 0.001 0.000 0.294 451 T C -0.726 174.020 174.700 0.077 0.000 1.119 451 T CA -0.960 61.225 62.100 0.142 0.000 1.007 451 T CB 1.312 70.243 68.868 0.105 0.000 1.225 451 T HN 0.232 nan 8.240 nan 0.000 0.515 452 V N 1.974 121.921 119.914 0.056 0.000 2.347 452 V HA 0.502 4.623 4.120 0.001 0.000 0.280 452 V C -0.562 175.530 176.094 -0.004 0.000 1.021 452 V CA -0.834 61.485 62.300 0.032 0.000 0.847 452 V CB 0.644 32.455 31.823 -0.020 0.000 0.990 452 V HN 0.856 nan 8.190 nan 0.000 0.444 453 F N 4.056 123.909 119.950 -0.161 0.000 2.375 453 F HA 0.661 5.189 4.527 0.001 0.000 0.333 453 F C 0.491 176.169 175.800 -0.204 0.000 1.104 453 F CA 0.499 58.351 58.000 -0.248 0.000 1.149 453 F CB 1.436 40.268 39.000 -0.280 0.000 1.190 453 F HN 0.487 nan 8.300 nan 0.000 0.533 454 S N 3.680 118.930 115.700 -0.750 0.000 2.592 454 S HA 0.262 4.732 4.470 0.001 0.000 0.275 454 S C -0.101 174.184 174.600 -0.525 0.000 1.169 454 S CA -0.702 57.228 58.200 -0.450 0.000 0.958 454 S CB 0.474 63.541 63.200 -0.222 0.000 1.095 454 S HN 0.787 nan 8.310 nan 0.000 0.471 455 H N 2.900 121.844 119.070 -0.210 0.000 2.448 455 H HA 0.231 4.788 4.556 0.001 0.000 0.292 455 H C 2.049 177.323 175.328 -0.090 0.000 1.035 455 H CA 1.569 57.538 56.048 -0.131 0.000 1.349 455 H CB 0.077 29.841 29.762 0.003 0.000 1.425 455 H HN 0.656 nan 8.280 nan 0.000 0.539 456 A N 0.687 123.538 122.820 0.051 0.000 1.943 456 A HA 0.161 4.482 4.320 0.001 0.000 0.213 456 A C 1.189 178.771 177.584 -0.005 0.000 1.181 456 A CA 0.142 52.196 52.037 0.028 0.000 0.653 456 A CB -0.125 18.896 19.000 0.034 0.000 0.833 456 A HN 0.126 nan 8.150 nan 0.000 0.451 457 L N 0.181 121.382 121.223 -0.036 0.000 2.375 457 L HA 0.424 4.765 4.340 0.001 0.000 0.268 457 L C 0.139 176.974 176.870 -0.058 0.000 1.058 457 L CA -0.691 54.124 54.840 -0.042 0.000 0.803 457 L CB 1.381 43.403 42.059 -0.062 0.000 1.212 457 L HN 0.662 nan 8.230 nan 0.000 0.451 458 N N -0.520 118.159 118.700 -0.036 0.000 3.229 458 N HA 0.318 5.058 4.740 0.001 0.000 0.315 458 N C 0.346 175.849 175.510 -0.012 0.000 1.520 458 N CA -0.868 52.161 53.050 -0.034 0.000 0.769 458 N CB 0.720 39.197 38.487 -0.017 0.000 1.766 458 N HN 0.369 nan 8.380 nan 0.000 0.618 459 L N 0.701 121.924 121.223 0.001 0.000 2.042 459 L HA -0.005 4.336 4.340 0.001 0.000 0.210 459 L C 1.734 178.632 176.870 0.048 0.000 1.076 459 L CA 1.959 56.815 54.840 0.026 0.000 0.749 459 L CB -1.585 40.495 42.059 0.034 0.000 0.893 459 L HN 0.858 nan 8.230 nan 0.000 0.432 460 N N -0.655 118.073 118.700 0.046 0.000 2.244 460 N HA -0.181 4.560 4.740 0.001 0.000 0.183 460 N C 1.475 177.030 175.510 0.075 0.000 1.016 460 N CA 1.300 54.387 53.050 0.063 0.000 0.866 460 N CB -0.134 38.386 38.487 0.056 0.000 0.980 460 N HN 0.398 nan 8.380 nan 0.000 0.430 461 D N -0.331 120.103 120.400 0.058 0.000 2.117 461 D HA -0.123 4.517 4.640 0.001 0.000 0.197 461 D C 1.704 178.062 176.300 0.096 0.000 0.987 461 D CA 0.921 54.959 54.000 0.064 0.000 0.829 461 D CB -0.084 40.733 40.800 0.028 0.000 0.961 461 D HN 0.358 nan 8.370 nan 0.000 0.460 462 M N -0.013 119.634 119.600 0.079 0.000 2.288 462 M HA 0.019 4.500 4.480 0.001 0.000 0.266 462 M C 2.049 178.466 176.300 0.196 0.000 1.072 462 M CA 0.656 56.026 55.300 0.117 0.000 1.132 462 M CB -0.479 32.148 32.600 0.046 0.000 1.386 462 M HN -0.014 nan 8.290 nan 0.000 0.432 463 R N 0.394 120.981 120.500 0.145 0.000 2.096 463 R HA -0.157 4.183 4.340 0.001 0.000 0.235 463 R C 2.098 178.494 176.300 0.159 0.000 1.127 463 R CA 1.415 57.601 56.100 0.144 0.000 0.968 463 R CB -0.263 30.104 30.300 0.113 0.000 0.861 463 R HN 0.562 nan 8.270 nan 0.000 0.440 464 Q N -0.755 119.142 119.800 0.161 0.000 2.119 464 Q HA -0.142 4.199 4.340 0.001 0.000 0.201 464 Q C 1.816 177.904 176.000 0.147 0.000 0.972 464 Q CA 1.327 57.221 55.803 0.152 0.000 0.847 464 Q CB -0.172 28.652 28.738 0.144 0.000 0.903 464 Q HN 0.266 nan 8.270 nan 0.000 0.433 465 F N 1.278 121.265 119.950 0.061 0.000 2.075 465 F HA -0.233 4.294 4.527 0.001 0.000 0.297 465 F C 2.212 178.117 175.800 0.175 0.000 1.113 465 F CA 1.462 59.524 58.000 0.104 0.000 1.218 465 F CB -0.352 38.717 39.000 0.116 0.000 0.984 465 F HN 0.027 nan 8.300 nan 0.000 0.472 466 A N -0.001 122.978 122.820 0.265 0.000 1.917 466 A HA -0.264 4.057 4.320 0.001 0.000 0.219 466 A C 2.123 179.754 177.584 0.078 0.000 1.182 466 A CA 2.146 54.277 52.037 0.156 0.000 0.633 466 A CB -1.034 18.073 19.000 0.177 0.000 0.819 466 A HN 0.609 nan 8.150 nan 0.000 0.448 467 E N -1.527 118.725 120.200 0.087 0.000 2.017 467 E HA -0.233 4.117 4.350 0.001 0.000 0.193 467 E C 2.008 178.609 176.600 0.002 0.000 0.997 467 E CA 1.537 57.985 56.400 0.080 0.000 0.804 467 E CB -0.262 29.502 29.700 0.108 0.000 0.757 467 E HN 0.560 nan 8.360 nan 0.000 0.448 468 M N 0.310 119.855 119.600 -0.090 0.000 2.192 468 M HA -0.195 4.285 4.480 0.001 0.000 0.259 468 M C 1.366 177.427 176.300 -0.399 0.000 1.071 468 M CA 1.687 56.836 55.300 -0.251 0.000 1.082 468 M CB -0.038 32.327 32.600 -0.393 0.000 1.373 468 M HN 0.119 nan 8.290 nan 0.000 0.408 469 H N -1.423 117.514 119.070 -0.222 0.000 2.586 469 H HA 0.151 4.708 4.556 0.001 0.000 0.273 469 H C -0.031 175.214 175.328 -0.137 0.000 0.997 469 H CA 0.464 56.371 56.048 -0.235 0.000 1.177 469 H CB -0.131 29.429 29.762 -0.336 0.000 1.471 469 H HN 0.303 nan 8.280 nan 0.000 0.538 470 D N 1.382 121.809 120.400 0.044 0.000 2.803 470 D HA -0.175 4.465 4.640 0.001 0.000 0.233 470 D C -0.216 176.148 176.300 0.107 0.000 1.182 470 D CA 0.476 54.551 54.000 0.125 0.000 0.726 470 D CB -1.500 39.369 40.800 0.115 0.000 0.987 470 D HN 0.617 nan 8.370 nan 0.000 0.412 471 I N -2.694 117.899 120.570 0.038 0.000 3.002 471 I HA 0.551 4.722 4.170 0.001 0.000 0.310 471 I C 0.303 176.197 176.117 -0.372 0.000 1.087 471 I CA -1.317 59.892 61.300 -0.152 0.000 1.017 471 I CB 1.791 39.803 38.000 0.020 0.000 1.226 471 I HN -0.008 nan 8.210 nan 0.000 0.443 472 E N 2.941 122.676 120.200 -0.774 0.000 2.392 472 E HA 0.255 4.605 4.350 0.001 0.000 0.264 472 E C -1.324 175.193 176.600 -0.138 0.000 1.024 472 E CA -0.277 55.798 56.400 -0.541 0.000 0.903 472 E CB 1.212 30.616 29.700 -0.493 0.000 0.963 472 E HN 0.624 nan 8.360 nan 0.000 0.432 473 I N 3.657 124.217 120.570 -0.017 0.000 2.378 473 I HA 0.198 4.368 4.170 0.001 0.000 0.291 473 I C -0.925 175.209 176.117 0.028 0.000 0.992 473 I CA -0.384 60.934 61.300 0.030 0.000 1.154 473 I CB 1.644 39.693 38.000 0.082 0.000 1.315 473 I HN 0.432 nan 8.210 nan 0.000 0.448 474 T N 7.102 121.664 114.554 0.014 0.000 2.801 474 T HA 0.276 4.627 4.350 0.001 0.000 0.306 474 T C -0.454 174.329 174.700 0.138 0.000 1.020 474 T CA -0.290 61.838 62.100 0.046 0.000 0.948 474 T CB 1.139 70.005 68.868 -0.004 0.000 0.962 474 T HN 0.361 nan 8.240 nan 0.000 0.465 475 V N 5.435 125.464 119.914 0.192 0.000 2.481 475 V HA 0.697 4.817 4.120 0.001 0.000 0.286 475 V C -0.789 175.455 176.094 0.250 0.000 1.042 475 V CA -0.786 61.626 62.300 0.187 0.000 0.928 475 V CB 0.840 32.747 31.823 0.140 0.000 0.986 475 V HN 0.871 nan 8.190 nan 0.000 0.462 476 I N 6.904 127.581 120.570 0.178 0.000 2.583 476 I HA 0.457 4.627 4.170 0.001 0.000 0.276 476 I C -0.975 175.193 176.117 0.085 0.000 1.089 476 I CA -0.353 61.013 61.300 0.110 0.000 1.103 476 I CB 1.222 39.290 38.000 0.113 0.000 1.209 476 I HN 0.901 nan 8.210 nan 0.000 0.484 477 D N 2.121 122.561 120.400 0.067 0.000 2.898 477 D HA 0.251 4.892 4.640 0.001 0.000 0.266 477 D C 0.419 176.743 176.300 0.041 0.000 1.173 477 D CA -0.617 53.414 54.000 0.052 0.000 1.078 477 D CB 0.351 41.183 40.800 0.053 0.000 1.326 477 D HN 0.162 nan 8.370 nan 0.000 0.622 478 N N -0.850 117.873 118.700 0.039 0.000 2.289 478 N HA -0.097 4.644 4.740 0.001 0.000 0.184 478 N C 0.262 175.795 175.510 0.037 0.000 1.016 478 N CA 0.921 53.992 53.050 0.034 0.000 0.872 478 N CB -0.023 38.484 38.487 0.033 0.000 0.973 478 N HN 0.327 nan 8.380 nan 0.000 0.433 479 D N -0.035 120.393 120.400 0.047 0.000 2.317 479 D HA -0.017 4.623 4.640 0.001 0.000 0.211 479 D C 0.077 176.413 176.300 0.061 0.000 0.966 479 D CA 0.613 54.646 54.000 0.055 0.000 0.876 479 D CB -0.224 40.614 40.800 0.063 0.000 0.927 479 D HN 0.062 nan 8.370 nan 0.000 0.519 480 T N 1.415 116.001 114.554 0.055 0.000 2.871 480 T HA 0.169 4.520 4.350 0.001 0.000 0.296 480 T C 0.467 175.184 174.700 0.029 0.000 0.998 480 T CA 0.329 62.459 62.100 0.049 0.000 1.162 480 T CB 0.558 69.414 68.868 -0.021 0.000 0.947 480 T HN -0.018 nan 8.240 nan 0.000 0.536 481 R N 2.853 123.391 120.500 0.063 0.000 2.510 481 R HA 0.250 4.591 4.340 0.001 0.000 0.294 481 R C 0.255 176.610 176.300 0.092 0.000 1.056 481 R CA -0.817 55.316 56.100 0.054 0.000 0.918 481 R CB 1.111 31.446 30.300 0.059 0.000 1.187 481 R HN 0.328 nan 8.270 nan 0.000 0.437 482 L N 4.100 125.357 121.223 0.057 0.000 2.051 482 L HA -0.147 4.194 4.340 0.001 0.000 0.214 482 L C -0.856 176.090 176.870 0.128 0.000 1.076 482 L CA 1.877 56.779 54.840 0.104 0.000 0.758 482 L CB -1.103 40.983 42.059 0.046 0.000 0.890 482 L HN 0.514 nan 8.230 nan 0.000 0.433 483 P HA -0.157 nan 4.420 nan 0.000 0.215 483 P C 1.610 178.918 177.300 0.013 0.000 1.157 483 P CA 1.995 65.115 63.100 0.034 0.000 0.868 483 P CB -0.058 31.661 31.700 0.031 0.000 0.788 484 A N -1.232 121.621 122.820 0.056 0.000 1.898 484 A HA -0.181 4.139 4.320 0.001 0.000 0.216 484 A C 2.140 179.748 177.584 0.040 0.000 1.181 484 A CA 1.261 53.328 52.037 0.049 0.000 0.620 484 A CB -1.851 17.209 19.000 0.100 0.000 0.819 484 A HN 0.132 nan 8.150 nan 0.000 0.442 485 F N 0.903 120.833 119.950 -0.032 0.000 2.091 485 F HA -0.221 4.307 4.527 0.001 0.000 0.299 485 F C 2.144 177.897 175.800 -0.079 0.000 1.103 485 F CA 2.321 60.303 58.000 -0.030 0.000 1.228 485 F CB -0.162 38.835 39.000 -0.004 0.000 0.984 485 F HN 0.141 nan 8.300 nan 0.000 0.477 486 K N -0.054 120.335 120.400 -0.019 0.000 2.025 486 K HA -0.174 4.146 4.320 0.001 0.000 0.207 486 K C 1.785 178.168 176.600 -0.362 0.000 1.049 486 K CA 1.639 57.828 56.287 -0.163 0.000 0.933 486 K CB -0.403 32.062 32.500 -0.058 0.000 0.714 486 K HN 0.202 nan 8.250 nan 0.000 0.438 487 D N 0.754 120.877 120.400 -0.462 0.000 2.116 487 D HA -0.197 4.444 4.640 0.001 0.000 0.193 487 D C 1.828 177.523 176.300 -1.008 0.000 0.998 487 D CA 1.599 55.002 54.000 -0.995 0.000 0.836 487 D CB -0.339 39.742 40.800 -1.198 0.000 0.951 487 D HN 0.239 nan 8.370 nan 0.000 0.449 488 A N 0.669 123.200 122.820 -0.481 0.000 1.883 488 A HA -0.173 4.148 4.320 0.001 0.000 0.217 488 A C 2.439 179.904 177.584 -0.199 0.000 1.186 488 A CA 1.197 53.133 52.037 -0.168 0.000 0.624 488 A CB -0.945 17.990 19.000 -0.108 0.000 0.822 488 A HN 0.236 nan 8.150 nan 0.000 0.444 489 L N -1.298 119.716 121.223 -0.349 0.000 1.997 489 L HA -0.323 4.018 4.340 0.001 0.000 0.216 489 L C 2.912 179.677 176.870 -0.175 0.000 1.074 489 L CA 2.189 56.860 54.840 -0.281 0.000 0.763 489 L CB -0.537 41.318 42.059 -0.339 0.000 0.890 489 L HN 0.345 nan 8.230 nan 0.000 0.434 490 R N -1.001 119.345 120.500 -0.256 0.000 2.080 490 R HA -0.199 4.142 4.340 0.001 0.000 0.236 490 R C 2.082 178.377 176.300 -0.007 0.000 1.137 490 R CA 2.042 58.026 56.100 -0.192 0.000 0.943 490 R CB -0.440 29.654 30.300 -0.342 0.000 0.846 490 R HN 0.373 nan 8.270 nan 0.000 0.431 491 W N 0.859 122.146 121.300 -0.021 0.000 2.402 491 W HA -0.019 4.642 4.660 0.001 0.000 0.286 491 W C 1.540 178.069 176.519 0.016 0.000 1.221 491 W CA 0.431 57.771 57.345 -0.009 0.000 1.257 491 W CB -0.922 28.527 29.460 -0.020 0.000 1.120 491 W HN 0.165 nan 8.180 nan 0.000 0.551 492 N N 0.491 119.330 118.700 0.231 0.000 2.331 492 N HA -0.145 4.595 4.740 0.001 0.000 0.180 492 N C 1.593 177.253 175.510 0.250 0.000 1.019 492 N CA 1.506 54.717 53.050 0.269 0.000 0.881 492 N CB -0.485 38.170 38.487 0.280 0.000 0.972 492 N HN 0.211 nan 8.380 nan 0.000 0.435 493 E N 0.710 120.980 120.200 0.116 0.000 2.077 493 E HA -0.067 4.284 4.350 0.001 0.000 0.193 493 E C 1.662 178.235 176.600 -0.044 0.000 0.989 493 E CA 0.859 57.280 56.400 0.035 0.000 0.800 493 E CB -0.079 29.612 29.700 -0.014 0.000 0.746 493 E HN 0.030 nan 8.360 nan 0.000 0.452 494 V N 0.353 120.254 119.914 -0.022 0.000 2.427 494 V HA -0.199 3.921 4.120 0.001 0.000 0.248 494 V C 2.107 178.027 176.094 -0.289 0.000 1.051 494 V CA 1.923 64.139 62.300 -0.140 0.000 1.048 494 V CB -0.768 31.067 31.823 0.021 0.000 0.666 494 V HN 0.389 nan 8.190 nan 0.000 0.456 495 Y N 0.252 120.430 120.300 -0.203 0.000 2.153 495 Y HA -0.202 4.348 4.550 0.001 0.000 0.289 495 Y C 2.290 177.983 175.900 -0.346 0.000 1.127 495 Y CA 1.553 59.498 58.100 -0.258 0.000 1.131 495 Y CB -0.443 37.839 38.460 -0.297 0.000 0.995 495 Y HN 0.281 nan 8.280 nan 0.000 0.505 496 Y N 0.158 120.337 120.300 -0.201 0.000 2.616 496 Y HA 0.134 4.685 4.550 0.001 0.000 0.296 496 Y C 2.119 177.825 175.900 -0.324 0.000 1.154 496 Y CA 0.653 58.603 58.100 -0.250 0.000 1.325 496 Y CB -0.626 37.810 38.460 -0.040 0.000 1.007 496 Y HN 0.214 nan 8.280 nan 0.000 0.542 497 G N -0.411 108.157 108.800 -0.387 0.000 3.397 497 G HA2 0.304 4.264 3.960 0.001 0.000 0.248 497 G HA3 0.304 4.264 3.960 0.001 0.000 0.248 497 G C -0.399 174.002 174.900 -0.831 0.000 1.284 497 G CA 0.088 44.885 45.100 -0.505 0.000 1.570 497 G HN 0.217 nan 8.290 nan 0.000 0.587 498 F N 0.000 119.886 119.950 -0.106 0.000 2.286 498 F HA 0.000 4.528 4.527 0.001 0.000 0.279 498 F CA 0.000 57.932 58.000 -0.113 0.000 1.383 498 F CB 0.000 38.907 39.000 -0.155 0.000 1.145 498 F HN 0.000 nan 8.300 nan 0.000 0.574