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 1m7s_1_C DATA FIRST_RESID 28 DATA SEQUENCE DTLTRDNGAV VGDNQNSQTA GAQGPVLLQD VQLLQKLQRF DRERIPERVV DATA SEQUENCE HARGTGVKGE FTASADISDL SKATVFKSGE KTPVFVRFSS VVHGNHSPET DATA SEQUENCE LRDPHGFATK FYTADGNWDL VGNNFPTFFI RDAIKFPDMV HAFKPDPRTN DATA SEQUENCE LDNDSRRFDF FSHVPEATRT LTLLYSNEGT PAGYRFMDGN GVHAYKLVNA DATA SEQUENCE KGEVHYVKFH WKSLQGIKNL DPKEVAQVQS KDYSHLTNDL VGAIKKGDFP DATA SEQUENCE KWDLYVQVLK PEELAKFDFD PLDATKIWPD VPEKKIGQMV LNKNVDNFFQ DATA SEQUENCE ETEQVAMAPA NLVPGIEPSE DRLLQGRVFS YADTQMYRLG ANGLSLPVNQ DATA SEQUENCE PKVAVNNGNQ DGALNTGHTT SGVNYEPSRL EPRPADDKAR YSELPLSGTT DATA SEQUENCE QQAKITREQN FKQAGDLYRS YSAKEKTDLV QKFGESLADT LTESKNIMLS DATA SEQUENCE YLYKEDPNYG TRVAEVAKGD LSKVKSLAAS LKD 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 28 D HA 0.000 nan 4.640 nan 0.000 0.175 28 D C 0.000 176.301 176.300 0.001 0.000 2.045 28 D CA 0.000 54.001 54.000 0.001 0.000 0.868 28 D CB 0.000 40.801 40.800 0.002 0.000 0.688 29 T N 1.292 115.846 114.554 0.000 0.000 2.940 29 T HA 0.411 4.739 4.350 -0.037 0.000 0.309 29 T C 0.783 175.483 174.700 -0.000 0.000 1.056 29 T CA -0.222 61.877 62.100 -0.000 0.000 1.137 29 T CB 0.777 69.645 68.868 -0.001 0.000 0.976 29 T HN 0.721 nan 8.240 nan 0.000 0.547 30 L N 4.087 125.310 121.223 -0.001 0.000 2.453 30 L HA 0.386 4.704 4.340 -0.037 0.000 0.272 30 L C 0.671 177.541 176.870 -0.001 0.000 1.182 30 L CA 0.592 55.432 54.840 -0.001 0.000 0.858 30 L CB 0.245 42.303 42.059 -0.002 0.000 1.120 30 L HN 0.939 nan 8.230 nan 0.000 0.474 31 T N 2.704 117.258 114.554 0.000 0.000 2.901 31 T HA 0.625 4.953 4.350 -0.037 0.000 0.293 31 T C 0.158 174.858 174.700 0.001 0.000 1.084 31 T CA -1.058 61.042 62.100 0.000 0.000 1.008 31 T CB 1.270 70.139 68.868 0.001 0.000 1.170 31 T HN 0.657 nan 8.240 nan 0.000 0.509 32 R N 0.204 120.705 120.500 0.001 0.000 2.531 32 R HA 0.313 4.631 4.340 -0.037 0.000 0.260 32 R C 0.491 176.792 176.300 0.003 0.000 1.144 32 R CA -0.767 55.335 56.100 0.002 0.000 1.171 32 R CB 0.184 30.485 30.300 0.002 0.000 1.199 32 R HN 0.692 nan 8.270 nan 0.000 0.594 33 D N 0.820 121.222 120.400 0.004 0.000 2.310 33 D HA -0.117 4.501 4.640 -0.037 0.000 0.212 33 D C 1.114 177.416 176.300 0.002 0.000 0.965 33 D CA 0.983 54.986 54.000 0.004 0.000 0.879 33 D CB -0.126 40.677 40.800 0.005 0.000 0.921 33 D HN 0.462 nan 8.370 nan 0.000 0.510 34 N N -0.134 118.567 118.700 0.002 0.000 2.398 34 N HA 0.014 4.732 4.740 -0.037 0.000 0.188 34 N C 1.412 176.922 175.510 -0.000 0.000 1.122 34 N CA 0.900 53.951 53.050 0.001 0.000 0.866 34 N CB 0.270 38.758 38.487 0.001 0.000 0.970 34 N HN 0.154 nan 8.380 nan 0.000 0.462 35 G N -0.819 107.981 108.800 0.000 0.000 2.199 35 G HA2 -0.244 3.695 3.960 -0.037 0.000 0.254 35 G HA3 -0.244 3.695 3.960 -0.037 0.000 0.254 35 G C 0.255 175.154 174.900 -0.001 0.000 0.982 35 G CA 0.209 45.308 45.100 -0.001 0.000 0.632 35 G HN 0.831 nan 8.290 nan 0.000 0.529 36 A N 0.549 123.369 122.820 -0.000 0.000 2.440 36 A HA 0.659 4.957 4.320 -0.037 0.000 0.251 36 A C 1.134 178.717 177.584 -0.001 0.000 1.089 36 A CA 0.366 52.403 52.037 -0.001 0.000 0.779 36 A CB 0.429 19.429 19.000 -0.001 0.000 1.022 36 A HN 1.898 nan 8.150 nan 0.000 0.492 37 V N 1.737 121.650 119.914 -0.001 0.000 2.843 37 V HA 0.395 4.493 4.120 -0.037 0.000 0.305 37 V C 0.438 176.531 176.094 -0.002 0.000 1.065 37 V CA -0.609 61.690 62.300 -0.001 0.000 1.116 37 V CB 0.444 32.266 31.823 -0.002 0.000 0.968 37 V HN 0.557 nan 8.190 nan 0.000 0.487 38 V N 4.431 124.344 119.914 -0.002 0.000 2.509 38 V HA 0.522 4.620 4.120 -0.037 0.000 0.284 38 V C 1.411 177.502 176.094 -0.004 0.000 1.047 38 V CA 0.707 63.005 62.300 -0.003 0.000 0.952 38 V CB 0.897 32.718 31.823 -0.004 0.000 0.988 38 V HN 1.151 nan 8.190 nan 0.000 0.469 39 G N 2.361 111.159 108.800 -0.004 0.000 2.492 39 G HA2 0.017 3.955 3.960 -0.037 0.000 0.214 39 G HA3 0.017 3.955 3.960 -0.037 0.000 0.214 39 G C 0.206 175.102 174.900 -0.006 0.000 1.147 39 G CA 0.386 45.484 45.100 -0.004 0.000 0.809 39 G HN 0.645 nan 8.290 nan 0.000 0.533 40 D N -0.932 119.464 120.400 -0.007 0.000 2.736 40 D HA 0.161 4.780 4.640 -0.037 0.000 0.243 40 D C -0.693 175.601 176.300 -0.011 0.000 1.304 40 D CA -0.669 53.326 54.000 -0.008 0.000 0.934 40 D CB 1.410 42.205 40.800 -0.008 0.000 1.382 40 D HN -0.084 nan 8.370 nan 0.000 0.571 41 N N 2.015 120.708 118.700 -0.012 0.000 2.214 41 N HA 0.028 4.746 4.740 -0.037 0.000 0.214 41 N C 0.457 175.955 175.510 -0.020 0.000 1.132 41 N CA 0.273 53.313 53.050 -0.015 0.000 0.856 41 N CB 0.451 38.930 38.487 -0.014 0.000 1.020 41 N HN 0.272 nan 8.380 nan 0.000 0.509 42 Q N -0.919 118.871 119.800 -0.018 0.000 2.378 42 Q HA 0.301 4.620 4.340 -0.037 0.000 0.229 42 Q C -0.511 175.477 176.000 -0.020 0.000 0.882 42 Q CA 0.385 56.176 55.803 -0.020 0.000 0.936 42 Q CB 0.536 29.264 28.738 -0.016 0.000 1.092 42 Q HN 0.232 nan 8.270 nan 0.000 0.535 43 N N 0.422 119.112 118.700 -0.017 0.000 2.295 43 N HA 0.297 5.015 4.740 -0.037 0.000 0.293 43 N C -0.880 174.621 175.510 -0.016 0.000 1.040 43 N CA -0.171 52.869 53.050 -0.016 0.000 0.840 43 N CB 2.107 40.586 38.487 -0.013 0.000 1.468 43 N HN -0.155 nan 8.380 nan 0.000 0.478 44 S N 0.676 116.366 115.700 -0.017 0.000 2.584 44 S HA 0.027 4.475 4.470 -0.037 0.000 0.270 44 S C 0.420 175.014 174.600 -0.011 0.000 1.346 44 S CA -0.349 57.843 58.200 -0.014 0.000 1.018 44 S CB 0.807 63.998 63.200 -0.015 0.000 0.899 44 S HN 0.475 nan 8.310 nan 0.000 0.542 45 Q N 1.618 121.413 119.800 -0.009 0.000 2.295 45 Q HA 0.303 4.621 4.340 -0.037 0.000 0.259 45 Q C -0.323 175.673 176.000 -0.006 0.000 0.976 45 Q CA -0.311 55.489 55.803 -0.007 0.000 0.923 45 Q CB 0.389 29.123 28.738 -0.005 0.000 1.185 45 Q HN 0.775 nan 8.270 nan 0.000 0.410 46 T N -0.099 114.451 114.554 -0.006 0.000 2.924 46 T HA 0.701 5.029 4.350 -0.037 0.000 0.291 46 T C -0.348 174.350 174.700 -0.004 0.000 1.045 46 T CA -0.803 61.294 62.100 -0.005 0.000 1.015 46 T CB 1.725 70.589 68.868 -0.006 0.000 1.103 46 T HN 0.538 nan 8.240 nan 0.000 0.496 47 A N 1.512 124.330 122.820 -0.003 0.000 3.004 47 A HA 0.705 5.003 4.320 -0.037 0.000 0.286 47 A C 1.198 178.781 177.584 -0.003 0.000 1.632 47 A CA 0.163 52.198 52.037 -0.003 0.000 1.339 47 A CB -1.612 17.387 19.000 -0.002 0.000 1.136 47 A HN 2.148 nan 8.150 nan 0.000 0.577 48 G N -0.219 108.579 108.800 -0.003 0.000 2.756 48 G HA2 0.245 4.183 3.960 -0.037 0.000 0.678 48 G HA3 0.245 4.183 3.960 -0.037 0.000 0.678 48 G C 0.858 175.756 174.900 -0.004 0.000 1.349 48 G CA -0.295 44.803 45.100 -0.003 0.000 0.847 48 G HN 1.657 nan 8.290 nan 0.000 0.548 49 A N -0.876 121.942 122.820 -0.004 0.000 1.902 49 A HA 0.061 4.359 4.320 -0.037 0.000 0.217 49 A C 2.071 179.653 177.584 -0.004 0.000 1.181 49 A CA 2.646 54.681 52.037 -0.004 0.000 0.623 49 A CB -0.222 18.776 19.000 -0.004 0.000 0.818 49 A HN 0.822 nan 8.150 nan 0.000 0.443 50 Q N -0.551 119.247 119.800 -0.004 0.000 2.220 50 Q HA 0.321 4.639 4.340 -0.037 0.000 0.205 50 Q C 0.630 176.628 176.000 -0.003 0.000 0.865 50 Q CA 0.406 56.207 55.803 -0.004 0.000 0.960 50 Q CB 0.490 29.226 28.738 -0.003 0.000 1.097 50 Q HN 0.581 nan 8.270 nan 0.000 0.493 51 G N 0.630 109.428 108.800 -0.003 0.000 2.552 51 G HA2 0.560 4.498 3.960 -0.037 0.000 0.318 51 G HA3 0.560 4.498 3.960 -0.037 0.000 0.318 51 G C -2.412 172.486 174.900 -0.003 0.000 1.240 51 G CA -1.267 43.832 45.100 -0.003 0.000 1.002 51 G HN 0.007 nan 8.290 nan 0.000 0.493 52 P HA 0.237 nan 4.420 nan 0.000 0.274 52 P C -0.203 177.095 177.300 -0.003 0.000 1.246 52 P CA -0.323 62.775 63.100 -0.003 0.000 0.795 52 P CB 1.148 32.846 31.700 -0.002 0.000 1.006 53 V N 2.001 121.913 119.914 -0.004 0.000 2.686 53 V HA 0.081 4.179 4.120 -0.037 0.000 0.295 53 V C 0.888 176.980 176.094 -0.003 0.000 1.055 53 V CA -0.348 61.949 62.300 -0.004 0.000 1.050 53 V CB 0.299 32.119 31.823 -0.005 0.000 0.984 53 V HN 0.316 nan 8.190 nan 0.000 0.482 54 L N 4.401 125.622 121.223 -0.003 0.000 2.326 54 L HA 0.211 4.529 4.340 -0.037 0.000 0.278 54 L C 1.216 178.086 176.870 -0.001 0.000 1.092 54 L CA -0.509 54.330 54.840 -0.002 0.000 0.810 54 L CB 0.856 42.914 42.059 -0.002 0.000 1.153 54 L HN 0.571 nan 8.230 nan 0.000 0.439 55 L N 3.158 124.381 121.223 0.000 0.000 2.131 55 L HA -0.223 4.095 4.340 -0.037 0.000 0.210 55 L C 2.399 179.270 176.870 0.001 0.000 1.092 55 L CA 1.742 56.583 54.840 0.002 0.000 0.759 55 L CB -0.538 41.522 42.059 0.002 0.000 0.903 55 L HN 0.824 nan 8.230 nan 0.000 0.435 56 Q N -1.292 118.508 119.800 0.001 0.000 2.515 56 Q HA -0.096 4.222 4.340 -0.037 0.000 0.214 56 Q C 0.112 176.112 176.000 -0.000 0.000 0.971 56 Q CA 0.328 56.131 55.803 0.001 0.000 0.952 56 Q CB -0.577 28.161 28.738 0.000 0.000 0.999 56 Q HN 0.367 nan 8.270 nan 0.000 0.524 57 D N 1.825 122.224 120.400 -0.001 0.000 2.416 57 D HA -0.004 4.614 4.640 -0.037 0.000 0.240 57 D C 1.260 177.559 176.300 -0.001 0.000 1.250 57 D CA -0.154 53.845 54.000 -0.002 0.000 0.967 57 D CB 1.325 42.123 40.800 -0.004 0.000 1.059 57 D HN 0.199 nan 8.370 nan 0.000 0.512 58 V N 2.245 122.159 119.914 -0.000 0.000 2.626 58 V HA -0.218 3.880 4.120 -0.037 0.000 0.252 58 V C 2.116 178.211 176.094 0.001 0.000 1.067 58 V CA 1.500 63.800 62.300 0.001 0.000 1.081 58 V CB -0.676 31.148 31.823 0.002 0.000 0.686 58 V HN 0.377 nan 8.190 nan 0.000 0.468 59 Q N 0.730 120.529 119.800 -0.001 0.000 2.046 59 Q HA -0.146 4.172 4.340 -0.037 0.000 0.200 59 Q C 1.986 177.983 176.000 -0.004 0.000 0.975 59 Q CA 2.325 58.126 55.803 -0.003 0.000 0.836 59 Q CB -0.644 28.091 28.738 -0.006 0.000 0.896 59 Q HN 0.619 nan 8.270 nan 0.000 0.428 60 L N -0.318 120.901 121.223 -0.007 0.000 1.989 60 L HA -0.147 4.171 4.340 -0.037 0.000 0.211 60 L C 2.017 178.887 176.870 -0.001 0.000 1.071 60 L CA 1.731 56.566 54.840 -0.010 0.000 0.749 60 L CB -0.738 41.315 42.059 -0.011 0.000 0.890 60 L HN 0.355 nan 8.230 nan 0.000 0.431 61 L N -0.506 120.719 121.223 0.004 0.000 2.046 61 L HA -0.230 4.088 4.340 -0.037 0.000 0.208 61 L C 2.588 179.468 176.870 0.017 0.000 1.077 61 L CA 2.105 56.952 54.840 0.011 0.000 0.747 61 L CB -1.233 40.832 42.059 0.009 0.000 0.896 61 L HN 0.597 nan 8.230 nan 0.000 0.432 62 Q N 0.143 119.951 119.800 0.013 0.000 2.123 62 Q HA -0.184 4.134 4.340 -0.037 0.000 0.199 62 Q C 2.098 178.114 176.000 0.026 0.000 0.966 62 Q CA 1.230 57.044 55.803 0.017 0.000 0.845 62 Q CB 0.220 28.965 28.738 0.011 0.000 0.907 62 Q HN 0.417 nan 8.270 nan 0.000 0.439 63 K N 0.144 120.556 120.400 0.020 0.000 2.057 63 K HA -0.093 4.205 4.320 -0.037 0.000 0.206 63 K C 2.118 178.757 176.600 0.066 0.000 1.050 63 K CA 1.167 57.472 56.287 0.029 0.000 0.935 63 K CB -0.048 32.449 32.500 -0.004 0.000 0.715 63 K HN 0.229 nan 8.250 nan 0.000 0.439 64 L N 1.180 122.434 121.223 0.052 0.000 2.093 64 L HA -0.184 4.134 4.340 -0.037 0.000 0.208 64 L C 2.550 179.499 176.870 0.132 0.000 1.085 64 L CA 1.220 56.120 54.840 0.100 0.000 0.755 64 L CB -0.372 41.721 42.059 0.057 0.000 0.904 64 L HN 0.248 nan 8.230 nan 0.000 0.435 65 Q N -0.519 119.326 119.800 0.074 0.000 2.119 65 Q HA -0.152 4.166 4.340 -0.037 0.000 0.201 65 Q C 2.380 178.409 176.000 0.049 0.000 0.972 65 Q CA 0.955 56.790 55.803 0.054 0.000 0.847 65 Q CB -0.029 28.727 28.738 0.031 0.000 0.903 65 Q HN 0.387 nan 8.270 nan 0.000 0.433 66 R N 0.150 120.684 120.500 0.057 0.000 2.075 66 R HA -0.102 4.216 4.340 -0.037 0.000 0.232 66 R C 2.061 178.385 176.300 0.041 0.000 1.126 66 R CA 0.956 57.077 56.100 0.035 0.000 0.963 66 R CB -0.783 29.538 30.300 0.036 0.000 0.858 66 R HN 0.281 nan 8.270 nan 0.000 0.435 67 F N 2.645 122.574 119.950 -0.036 0.000 2.171 67 F HA -0.175 4.330 4.527 -0.038 0.000 0.300 67 F C 1.362 177.141 175.800 -0.035 0.000 1.090 67 F CA 1.548 59.525 58.000 -0.039 0.000 1.293 67 F CB -0.099 38.884 39.000 -0.027 0.000 1.013 67 F HN -0.055 nan 8.300 nan 0.000 0.486 68 D N 0.174 120.559 120.400 -0.026 0.000 2.350 68 D HA -0.066 4.552 4.640 -0.037 0.000 0.216 68 D C 1.414 177.627 176.300 -0.146 0.000 0.968 68 D CA 0.895 54.837 54.000 -0.097 0.000 0.894 68 D CB -0.174 40.646 40.800 0.033 0.000 0.909 68 D HN 0.420 nan 8.370 nan 0.000 0.520 69 R N -0.141 120.275 120.500 -0.140 0.000 2.629 69 R HA 0.194 4.512 4.340 -0.037 0.000 0.408 69 R C 1.104 177.313 176.300 -0.152 0.000 1.057 69 R CA -0.114 55.918 56.100 -0.114 0.000 1.119 69 R CB 0.667 30.930 30.300 -0.061 0.000 1.403 69 R HN 0.083 nan 8.270 nan 0.000 0.576 70 E N 0.791 120.846 120.200 -0.242 0.000 2.150 70 E HA -0.049 4.279 4.350 -0.037 0.000 0.193 70 E C 0.299 176.747 176.600 -0.252 0.000 0.985 70 E CA 0.854 57.081 56.400 -0.288 0.000 0.814 70 E CB 0.320 29.807 29.700 -0.355 0.000 0.752 70 E HN 0.082 nan 8.360 nan 0.000 0.466 71 R N 1.195 121.592 120.500 -0.172 0.000 2.410 71 R HA 0.352 4.670 4.340 -0.037 0.000 0.288 71 R C 0.479 176.776 176.300 -0.004 0.000 1.051 71 R CA -0.190 55.869 56.100 -0.069 0.000 1.021 71 R CB 0.828 31.084 30.300 -0.075 0.000 1.032 71 R HN 0.165 nan 8.270 nan 0.000 0.481 72 I N -1.045 119.570 120.570 0.076 0.000 3.067 72 I HA 0.606 4.754 4.170 -0.037 0.000 0.312 72 I C -2.258 173.862 176.117 0.004 0.000 1.073 72 I CA -2.983 58.335 61.300 0.030 0.000 1.016 72 I CB 1.777 39.813 38.000 0.060 0.000 1.227 72 I HN 0.241 nan 8.210 nan 0.000 0.456 73 P HA 0.136 nan 4.420 nan 0.000 0.268 73 P C -0.911 176.392 177.300 0.005 0.000 1.204 73 P CA -0.118 62.974 63.100 -0.014 0.000 0.768 73 P CB 0.466 32.154 31.700 -0.021 0.000 0.842 74 E N 2.674 122.892 120.200 0.030 0.000 2.391 74 E HA 0.184 4.512 4.350 -0.037 0.000 0.255 74 E C -0.418 176.204 176.600 0.036 0.000 1.187 74 E CA -0.819 55.600 56.400 0.032 0.000 0.941 74 E CB 0.612 30.336 29.700 0.039 0.000 1.010 74 E HN 0.259 nan 8.360 nan 0.000 0.458 75 R N 0.407 120.926 120.500 0.031 0.000 2.698 75 R HA -0.042 4.276 4.340 -0.037 0.000 0.266 75 R C 1.036 177.369 176.300 0.056 0.000 1.026 75 R CA 0.130 56.252 56.100 0.036 0.000 1.102 75 R CB 0.584 30.908 30.300 0.040 0.000 0.978 75 R HN 0.545 nan 8.270 nan 0.000 0.436 76 V N 3.459 123.408 119.914 0.058 0.000 2.515 76 V HA -0.085 4.013 4.120 -0.037 0.000 0.250 76 V C 0.451 176.589 176.094 0.073 0.000 1.058 76 V CA 1.553 63.892 62.300 0.065 0.000 1.064 76 V CB 0.310 32.173 31.823 0.067 0.000 0.675 76 V HN 0.522 nan 8.190 nan 0.000 0.461 77 V N -3.828 116.155 119.914 0.115 0.000 3.078 77 V HA 0.588 4.686 4.120 -0.037 0.000 0.311 77 V C 0.177 176.419 176.094 0.246 0.000 1.138 77 V CA -0.681 61.717 62.300 0.163 0.000 1.007 77 V CB 1.429 33.438 31.823 0.311 0.000 1.045 77 V HN 0.485 nan 8.190 nan 0.000 0.432 78 H N 0.343 119.443 119.070 0.049 0.000 2.839 78 H HA -0.222 4.312 4.556 -0.038 0.000 0.298 78 H C 1.485 176.845 175.328 0.053 0.000 1.224 78 H CA 0.701 56.781 56.048 0.053 0.000 1.144 78 H CB -1.159 28.635 29.762 0.054 0.000 1.372 78 H HN 1.150 nan 8.280 nan 0.000 0.408 79 A N 0.814 123.707 122.820 0.122 0.000 1.930 79 A HA -0.095 4.204 4.320 -0.037 0.000 0.217 79 A C 1.731 179.395 177.584 0.134 0.000 1.175 79 A CA 1.172 53.272 52.037 0.105 0.000 0.627 79 A CB -0.044 19.002 19.000 0.077 0.000 0.815 79 A HN 0.235 nan 8.150 nan 0.000 0.443 80 R N 0.669 121.258 120.500 0.148 0.000 2.248 80 R HA 0.485 4.804 4.340 -0.037 0.000 0.337 80 R C -0.047 176.393 176.300 0.235 0.000 1.085 80 R CA 0.559 56.777 56.100 0.197 0.000 0.934 80 R CB -0.229 30.185 30.300 0.191 0.000 1.034 80 R HN 0.337 nan 8.270 nan 0.000 0.465 81 G N 1.038 110.004 108.800 0.278 0.000 2.684 81 G HA2 0.551 4.489 3.960 -0.037 0.000 0.290 81 G HA3 0.551 4.489 3.960 -0.037 0.000 0.290 81 G C -1.489 173.608 174.900 0.327 0.000 1.425 81 G CA -0.572 44.679 45.100 0.252 0.000 0.822 81 G HN 0.423 nan 8.290 nan 0.000 0.482 82 T N -0.386 114.307 114.554 0.233 0.000 2.881 82 T HA 0.697 5.026 4.350 -0.037 0.000 0.290 82 T C 0.041 174.784 174.700 0.071 0.000 1.000 82 T CA -0.287 61.967 62.100 0.257 0.000 0.978 82 T CB 1.828 70.876 68.868 0.300 0.000 0.997 82 T HN 0.966 nan 8.240 nan 0.000 0.443 83 G N 1.225 110.036 108.800 0.019 0.000 2.448 83 G HA2 0.764 4.702 3.960 -0.037 0.000 0.324 83 G HA3 0.764 4.702 3.960 -0.037 0.000 0.324 83 G C -0.691 173.998 174.900 -0.351 0.000 1.203 83 G CA -0.831 44.128 45.100 -0.235 0.000 0.954 83 G HN 0.919 nan 8.290 nan 0.000 0.480 84 V N -1.339 118.172 119.914 -0.672 0.000 3.188 84 V HA 0.776 4.874 4.120 -0.037 0.000 0.305 84 V C -0.760 174.898 176.094 -0.727 0.000 1.232 84 V CA -1.478 60.522 62.300 -0.500 0.000 1.043 84 V CB 1.876 33.563 31.823 -0.227 0.000 1.068 84 V HN 0.744 nan 8.190 nan 0.000 0.439 85 K N 0.083 120.229 120.400 -0.423 0.000 2.340 85 K HA 0.932 5.231 4.320 -0.037 0.000 0.244 85 K C -0.032 176.437 176.600 -0.219 0.000 0.973 85 K CA -0.148 55.955 56.287 -0.308 0.000 0.828 85 K CB 2.323 34.732 32.500 -0.153 0.000 1.226 85 K HN 1.280 nan 8.250 nan 0.000 0.437 86 G N 0.261 108.964 108.800 -0.162 0.000 2.604 86 G HA2 0.301 4.239 3.960 -0.037 0.000 0.242 86 G HA3 0.301 4.239 3.960 -0.037 0.000 0.242 86 G C -1.719 173.148 174.900 -0.055 0.000 1.208 86 G CA -0.325 44.698 45.100 -0.129 0.000 0.912 86 G HN 0.519 nan 8.290 nan 0.000 0.502 87 E N -1.237 118.957 120.200 -0.010 0.000 2.352 87 E HA 0.548 4.876 4.350 -0.037 0.000 0.280 87 E C -2.169 174.531 176.600 0.167 0.000 0.930 87 E CA -0.769 55.673 56.400 0.070 0.000 0.765 87 E CB 2.499 32.220 29.700 0.035 0.000 1.219 87 E HN 0.403 nan 8.360 nan 0.000 0.434 88 F N 2.292 122.302 119.950 0.100 0.000 2.469 88 F HA 0.572 5.076 4.527 -0.039 0.000 0.332 88 F C -0.996 174.920 175.800 0.194 0.000 1.103 88 F CA -0.144 57.979 58.000 0.205 0.000 0.979 88 F CB 2.076 41.300 39.000 0.374 0.000 1.137 88 F HN 0.257 nan 8.300 nan 0.000 0.463 89 T N 5.783 119.948 114.554 -0.649 0.000 2.809 89 T HA 0.683 5.011 4.350 -0.037 0.000 0.284 89 T C -0.396 173.863 174.700 -0.735 0.000 0.992 89 T CA -0.463 61.361 62.100 -0.461 0.000 0.957 89 T CB 1.142 69.891 68.868 -0.200 0.000 0.942 89 T HN 0.830 nan 8.240 nan 0.000 0.439 90 A N 2.209 124.795 122.820 -0.390 0.000 2.371 90 A HA 0.585 4.883 4.320 -0.037 0.000 0.257 90 A C 1.068 178.601 177.584 -0.084 0.000 1.089 90 A CA -0.318 51.630 52.037 -0.148 0.000 0.794 90 A CB 0.243 19.347 19.000 0.173 0.000 1.029 90 A HN 0.961 nan 8.150 nan 0.000 0.488 91 S N -0.294 115.387 115.700 -0.032 0.000 2.900 91 S HA 0.592 5.040 4.470 -0.037 0.000 0.253 91 S C 0.146 174.744 174.600 -0.004 0.000 1.029 91 S CA 0.394 58.578 58.200 -0.026 0.000 1.096 91 S CB -0.257 62.917 63.200 -0.044 0.000 1.067 91 S HN 1.808 nan 8.310 nan 0.000 0.610 92 A N 0.822 123.652 122.820 0.017 0.000 2.527 92 A HA 0.714 5.012 4.320 -0.037 0.000 0.293 92 A C -1.655 175.937 177.584 0.014 0.000 1.117 92 A CA -0.520 51.520 52.037 0.004 0.000 0.723 92 A CB 1.244 20.235 19.000 -0.016 0.000 1.313 92 A HN 0.164 nan 8.150 nan 0.000 0.411 93 D N 1.314 121.714 120.400 -0.001 0.000 2.380 93 D HA 0.378 4.996 4.640 -0.037 0.000 0.230 93 D C 0.211 176.496 176.300 -0.024 0.000 1.154 93 D CA -0.076 53.924 54.000 -0.001 0.000 0.859 93 D CB 0.310 41.108 40.800 -0.003 0.000 1.045 93 D HN 0.499 nan 8.370 nan 0.000 0.495 94 I N 1.045 121.599 120.570 -0.027 0.000 3.569 94 I HA 0.183 4.331 4.170 -0.037 0.000 0.334 94 I C 1.190 177.264 176.117 -0.072 0.000 1.570 94 I CA -0.503 60.745 61.300 -0.086 0.000 1.082 94 I CB 0.319 38.220 38.000 -0.164 0.000 1.323 94 I HN 0.108 nan 8.210 nan 0.000 0.489 95 S N 0.554 116.236 115.700 -0.030 0.000 2.469 95 S HA -0.215 4.233 4.470 -0.037 0.000 0.238 95 S C 1.577 176.159 174.600 -0.029 0.000 0.998 95 S CA 1.250 59.441 58.200 -0.015 0.000 0.957 95 S CB -0.550 62.650 63.200 0.000 0.000 0.764 95 S HN 0.752 nan 8.310 nan 0.000 0.514 96 D N 1.727 122.094 120.400 -0.053 0.000 2.312 96 D HA -0.045 4.573 4.640 -0.037 0.000 0.211 96 D C 1.749 177.989 176.300 -0.100 0.000 0.964 96 D CA 0.568 54.536 54.000 -0.053 0.000 0.877 96 D CB -0.331 40.431 40.800 -0.063 0.000 0.924 96 D HN 0.524 nan 8.370 nan 0.000 0.515 97 L N -0.869 120.249 121.223 -0.175 0.000 2.349 97 L HA 0.186 4.504 4.340 -0.037 0.000 0.200 97 L C 1.173 177.988 176.870 -0.091 0.000 1.064 97 L CA 0.109 54.804 54.840 -0.241 0.000 0.821 97 L CB 0.059 41.910 42.059 -0.346 0.000 1.027 97 L HN -0.063 nan 8.230 nan 0.000 0.476 98 S N -0.360 115.294 115.700 -0.076 0.000 2.546 98 S HA 0.286 4.734 4.470 -0.037 0.000 0.274 98 S C 0.042 174.660 174.600 0.031 0.000 1.121 98 S CA -0.799 57.397 58.200 -0.006 0.000 0.887 98 S CB 1.656 64.871 63.200 0.026 0.000 1.094 98 S HN 0.325 nan 8.310 nan 0.000 0.474 99 K N 2.157 122.569 120.400 0.020 0.000 2.458 99 K HA 0.466 4.764 4.320 -0.037 0.000 0.194 99 K C 0.576 177.179 176.600 0.005 0.000 1.024 99 K CA -0.053 56.242 56.287 0.012 0.000 1.108 99 K CB 0.059 32.556 32.500 -0.004 0.000 0.846 99 K HN 0.478 nan 8.250 nan 0.000 0.518 100 A N 1.321 124.151 122.820 0.016 0.000 2.488 100 A HA 0.095 4.393 4.320 -0.037 0.000 0.249 100 A C 0.931 178.462 177.584 -0.088 0.000 1.083 100 A CA -0.219 51.759 52.037 -0.099 0.000 0.768 100 A CB 0.330 19.148 19.000 -0.304 0.000 1.017 100 A HN 0.305 nan 8.150 nan 0.000 0.496 101 T N 2.122 116.606 114.554 -0.117 0.000 2.881 101 T HA -0.141 4.187 4.350 -0.037 0.000 0.270 101 T C 1.861 176.503 174.700 -0.098 0.000 1.068 101 T CA 1.467 63.525 62.100 -0.071 0.000 1.131 101 T CB -0.239 68.599 68.868 -0.050 0.000 0.871 101 T HN 0.565 nan 8.240 nan 0.000 0.479 102 V N 0.718 120.472 119.914 -0.268 0.000 2.469 102 V HA -0.107 3.991 4.120 -0.037 0.000 0.251 102 V C 1.493 177.504 176.094 -0.138 0.000 1.064 102 V CA 1.635 63.759 62.300 -0.292 0.000 1.066 102 V CB -0.552 30.880 31.823 -0.651 0.000 0.667 102 V HN 0.631 nan 8.190 nan 0.000 0.461 103 F N -0.033 119.938 119.950 0.035 0.000 2.765 103 F HA 0.260 4.765 4.527 -0.037 0.000 0.302 103 F C 1.223 177.057 175.800 0.056 0.000 1.111 103 F CA -0.066 57.982 58.000 0.080 0.000 1.359 103 F CB 0.045 39.041 39.000 -0.007 0.000 1.097 103 F HN -0.019 nan 8.300 nan 0.000 0.577 104 K N 2.115 122.615 120.400 0.167 0.000 2.402 104 K HA 0.033 4.331 4.320 -0.037 0.000 0.285 104 K C 0.513 177.167 176.600 0.091 0.000 1.054 104 K CA -0.064 56.286 56.287 0.104 0.000 1.001 104 K CB 0.556 33.092 32.500 0.060 0.000 0.946 104 K HN 0.047 nan 8.250 nan 0.000 0.473 105 S N 3.430 119.173 115.700 0.072 0.000 2.642 105 S HA 0.064 4.512 4.470 -0.037 0.000 0.308 105 S C 1.172 175.789 174.600 0.029 0.000 1.255 105 S CA 1.392 59.618 58.200 0.045 0.000 1.057 105 S CB -0.285 62.931 63.200 0.027 0.000 0.785 105 S HN 0.976 nan 8.310 nan 0.000 0.500 106 G N 3.234 112.040 108.800 0.011 0.000 2.299 106 G HA2 -0.286 3.652 3.960 -0.037 0.000 0.237 106 G HA3 -0.286 3.652 3.960 -0.037 0.000 0.237 106 G C -0.013 174.894 174.900 0.011 0.000 1.027 106 G CA 0.382 45.484 45.100 0.003 0.000 0.619 106 G HN 0.996 nan 8.290 nan 0.000 0.513 107 E N 1.505 121.726 120.200 0.035 0.000 2.465 107 E HA 0.460 4.788 4.350 -0.037 0.000 0.260 107 E C 0.256 176.895 176.600 0.064 0.000 0.980 107 E CA 0.375 56.808 56.400 0.056 0.000 0.927 107 E CB 0.281 30.028 29.700 0.078 0.000 0.934 107 E HN 0.377 nan 8.360 nan 0.000 0.459 108 K N 3.013 123.454 120.400 0.069 0.000 2.274 108 K HA 0.368 4.666 4.320 -0.037 0.000 0.262 108 K C -1.264 175.421 176.600 0.142 0.000 0.961 108 K CA -0.568 55.770 56.287 0.084 0.000 0.833 108 K CB 1.522 34.049 32.500 0.046 0.000 1.102 108 K HN 0.510 nan 8.250 nan 0.000 0.436 109 T N 5.310 120.003 114.554 0.232 0.000 2.841 109 T HA 0.351 4.679 4.350 -0.037 0.000 0.285 109 T C -2.700 172.150 174.700 0.250 0.000 0.991 109 T CA -1.710 60.551 62.100 0.268 0.000 0.966 109 T CB 1.742 70.852 68.868 0.402 0.000 0.962 109 T HN 0.331 nan 8.240 nan 0.000 0.438 110 P HA 0.292 nan 4.420 nan 0.000 0.268 110 P C -0.673 176.785 177.300 0.263 0.000 1.205 110 P CA -0.407 62.791 63.100 0.162 0.000 0.771 110 P CB 0.497 32.241 31.700 0.073 0.000 0.858 111 V N 0.420 120.420 119.914 0.143 0.000 3.040 111 V HA 0.690 4.788 4.120 -0.037 0.000 0.312 111 V C -1.213 174.938 176.094 0.095 0.000 1.115 111 V CA -1.119 61.189 62.300 0.014 0.000 0.998 111 V CB 2.225 33.850 31.823 -0.331 0.000 1.042 111 V HN 0.362 nan 8.190 nan 0.000 0.433 112 F N 2.378 122.268 119.950 -0.101 0.000 2.477 112 F HA 0.826 5.335 4.527 -0.029 0.000 0.335 112 F C -0.720 174.883 175.800 -0.328 0.000 1.130 112 F CA -0.558 57.367 58.000 -0.126 0.000 0.948 112 F CB 1.889 40.886 39.000 -0.005 0.000 1.154 112 F HN 0.527 nan 8.300 nan 0.000 0.439 113 V N 6.555 126.066 119.914 -0.671 0.000 2.555 113 V HA 0.547 4.645 4.120 -0.037 0.000 0.302 113 V C -0.648 175.018 176.094 -0.714 0.000 1.038 113 V CA -0.839 61.047 62.300 -0.689 0.000 0.887 113 V CB 1.882 33.164 31.823 -0.900 0.000 0.991 113 V HN 0.733 nan 8.190 nan 0.000 0.434 114 R N 3.224 123.391 120.500 -0.554 0.000 2.439 114 R HA 0.616 4.935 4.340 -0.037 0.000 0.310 114 R C -1.687 174.247 176.300 -0.610 0.000 0.955 114 R CA -0.401 55.463 56.100 -0.394 0.000 0.853 114 R CB 1.048 31.288 30.300 -0.100 0.000 1.171 114 R HN 0.528 nan 8.270 nan 0.000 0.449 115 F N 1.845 121.523 119.950 -0.453 0.000 2.432 115 F HA 0.582 5.085 4.527 -0.040 0.000 0.329 115 F C 0.420 175.952 175.800 -0.447 0.000 1.076 115 F CA -0.046 57.514 58.000 -0.733 0.000 1.018 115 F CB 2.162 40.161 39.000 -1.669 0.000 1.201 115 F HN 0.650 nan 8.300 nan 0.000 0.489 116 S N -0.710 114.976 115.700 -0.023 0.000 2.636 116 S HA 0.682 5.130 4.470 -0.037 0.000 0.266 116 S C -0.983 173.826 174.600 0.348 0.000 1.147 116 S CA -0.987 57.361 58.200 0.247 0.000 0.815 116 S CB 1.050 64.413 63.200 0.272 0.000 1.119 116 S HN 0.665 nan 8.310 nan 0.000 0.470 117 S N -0.267 115.559 115.700 0.210 0.000 2.745 117 S HA 0.807 5.255 4.470 -0.037 0.000 0.292 117 S C 0.414 174.810 174.600 -0.340 0.000 1.127 117 S CA -0.333 57.821 58.200 -0.077 0.000 1.007 117 S CB 0.921 64.144 63.200 0.037 0.000 1.165 117 S HN 0.875 nan 8.310 nan 0.000 0.544 118 V N -0.606 119.046 119.914 -0.437 0.000 2.948 118 V HA 0.081 4.179 4.120 -0.037 0.000 0.234 118 V C 2.051 177.965 176.094 -0.301 0.000 1.205 118 V CA 0.382 62.323 62.300 -0.598 0.000 1.234 118 V CB -0.346 31.144 31.823 -0.554 0.000 1.020 118 V HN 0.697 nan 8.190 nan 0.000 0.491 119 V N -0.298 119.458 119.914 -0.262 0.000 2.488 119 V HA 0.001 4.099 4.120 -0.037 0.000 0.246 119 V C 1.038 176.934 176.094 -0.329 0.000 1.046 119 V CA 1.277 63.388 62.300 -0.315 0.000 1.053 119 V CB -0.592 30.972 31.823 -0.431 0.000 0.679 119 V HN 0.550 nan 8.190 nan 0.000 0.458 120 H N -0.927 118.109 119.070 -0.056 0.000 2.508 120 H HA 0.587 5.121 4.556 -0.037 0.000 0.344 120 H C 0.765 176.103 175.328 0.017 0.000 1.192 120 H CA 0.268 56.311 56.048 -0.008 0.000 1.290 120 H CB 0.625 30.394 29.762 0.010 0.000 1.571 120 H HN 0.294 nan 8.280 nan 0.000 0.555 121 G N -0.259 108.637 108.800 0.159 0.000 2.684 121 G HA2 0.010 3.948 3.960 -0.037 0.000 0.255 121 G HA3 0.010 3.948 3.960 -0.037 0.000 0.255 121 G C -0.354 174.613 174.900 0.111 0.000 1.219 121 G CA -0.763 44.398 45.100 0.102 0.000 0.901 121 G HN 0.915 nan 8.290 nan 0.000 0.548 122 N N -2.327 116.410 118.700 0.061 0.000 2.492 122 N HA 0.119 4.837 4.740 -0.037 0.000 0.262 122 N C 0.285 175.816 175.510 0.036 0.000 1.202 122 N CA 0.112 53.177 53.050 0.025 0.000 0.926 122 N CB 0.075 38.526 38.487 -0.060 0.000 1.078 122 N HN 0.909 nan 8.380 nan 0.000 0.454 123 H N -2.013 117.148 119.070 0.153 0.000 3.211 123 H HA -0.222 4.312 4.556 -0.037 0.000 0.240 123 H C -0.425 175.003 175.328 0.166 0.000 1.148 123 H CA 0.374 56.535 56.048 0.189 0.000 1.160 123 H CB -1.807 28.034 29.762 0.131 0.000 1.232 123 H HN 0.812 nan 8.280 nan 0.000 0.321 124 S N 1.006 116.851 115.700 0.243 0.000 2.579 124 S HA 0.282 4.730 4.470 -0.037 0.000 0.275 124 S C -2.362 172.365 174.600 0.211 0.000 1.345 124 S CA -1.290 57.011 58.200 0.168 0.000 1.031 124 S CB 1.306 64.595 63.200 0.149 0.000 0.892 124 S HN 0.003 nan 8.310 nan 0.000 0.529 125 P HA 0.164 nan 4.420 nan 0.000 0.267 125 P C 0.030 177.427 177.300 0.163 0.000 1.205 125 P CA -0.068 63.152 63.100 0.200 0.000 0.765 125 P CB 0.202 31.981 31.700 0.132 0.000 0.828 126 E N 0.953 121.253 120.200 0.168 0.000 2.478 126 E HA -0.081 4.247 4.350 -0.037 0.000 0.198 126 E C 0.919 177.642 176.600 0.205 0.000 1.046 126 E CA 0.967 57.434 56.400 0.111 0.000 0.870 126 E CB -0.301 29.337 29.700 -0.103 0.000 0.818 126 E HN 0.585 nan 8.360 nan 0.000 0.527 127 T N -1.044 113.664 114.554 0.258 0.000 3.129 127 T HA 0.129 4.458 4.350 -0.037 0.000 0.251 127 T C 0.902 175.682 174.700 0.133 0.000 1.117 127 T CA -0.159 62.067 62.100 0.210 0.000 1.034 127 T CB -0.012 68.891 68.868 0.059 0.000 0.968 127 T HN -0.034 nan 8.240 nan 0.000 0.526 128 L N 2.044 123.330 121.223 0.105 0.000 2.483 128 L HA 0.229 4.547 4.340 -0.037 0.000 0.276 128 L C 1.046 177.970 176.870 0.091 0.000 1.213 128 L CA -0.623 54.244 54.840 0.046 0.000 0.843 128 L CB 0.394 42.418 42.059 -0.058 0.000 1.107 128 L HN 0.193 nan 8.230 nan 0.000 0.487 129 R N 2.654 123.189 120.500 0.059 0.000 2.449 129 R HA 0.149 4.467 4.340 -0.037 0.000 0.296 129 R C -1.173 175.118 176.300 -0.015 0.000 1.047 129 R CA 0.205 56.334 56.100 0.049 0.000 1.018 129 R CB 0.394 30.692 30.300 -0.003 0.000 0.962 129 R HN 0.608 nan 8.270 nan 0.000 0.428 130 D N 3.540 123.922 120.400 -0.030 0.000 2.755 130 D HA 0.273 4.891 4.640 -0.037 0.000 0.277 130 D C -2.863 173.227 176.300 -0.351 0.000 1.261 130 D CA -1.252 52.614 54.000 -0.224 0.000 0.759 130 D CB 2.042 42.626 40.800 -0.361 0.000 1.279 130 D HN 0.261 nan 8.370 nan 0.000 0.420 131 P HA 0.286 nan 4.420 nan 0.000 0.272 131 P C -0.860 176.026 177.300 -0.690 0.000 1.223 131 P CA 0.198 62.764 63.100 -0.890 0.000 0.784 131 P CB 0.377 31.764 31.700 -0.523 0.000 0.923 132 H N -0.753 118.178 119.070 -0.232 0.000 2.547 132 H HA 0.538 5.074 4.556 -0.035 0.000 0.342 132 H C 0.736 176.168 175.328 0.172 0.000 1.048 132 H CA -0.395 55.688 56.048 0.059 0.000 1.204 132 H CB 1.109 30.995 29.762 0.206 0.000 1.493 132 H HN 0.503 nan 8.280 nan 0.000 0.511 133 G N 2.049 111.051 108.800 0.337 0.000 2.467 133 G HA2 0.299 4.237 3.960 -0.037 0.000 0.257 133 G HA3 0.299 4.237 3.960 -0.037 0.000 0.257 133 G C -0.946 174.088 174.900 0.223 0.000 1.227 133 G CA -0.375 44.925 45.100 0.333 0.000 0.835 133 G HN 0.654 nan 8.290 nan 0.000 0.556 134 F N 2.146 122.060 119.950 -0.061 0.000 2.959 134 F HA 0.536 5.044 4.527 -0.032 0.000 0.379 134 F C 0.089 175.668 175.800 -0.369 0.000 1.215 134 F CA -1.063 56.767 58.000 -0.283 0.000 1.190 134 F CB 0.842 39.779 39.000 -0.104 0.000 1.574 134 F HN 0.652 nan 8.300 nan 0.000 0.575 135 A N 3.331 126.051 122.820 -0.165 0.000 2.288 135 A HA 0.705 5.003 4.320 -0.037 0.000 0.320 135 A C -0.550 176.838 177.584 -0.327 0.000 1.217 135 A CA -0.401 51.499 52.037 -0.227 0.000 0.840 135 A CB 1.027 19.895 19.000 -0.220 0.000 1.179 135 A HN 0.507 nan 8.150 nan 0.000 0.504 136 T N 2.519 116.857 114.554 -0.361 0.000 2.786 136 T HA 0.368 4.696 4.350 -0.037 0.000 0.283 136 T C -0.245 174.143 174.700 -0.519 0.000 0.992 136 T CA -0.477 61.324 62.100 -0.499 0.000 0.954 136 T CB 0.968 69.471 68.868 -0.609 0.000 0.934 136 T HN 0.633 nan 8.240 nan 0.000 0.440 137 K N 3.773 123.892 120.400 -0.469 0.000 2.264 137 K HA 0.393 4.691 4.320 -0.037 0.000 0.277 137 K C -1.192 175.090 176.600 -0.530 0.000 1.067 137 K CA -0.594 55.407 56.287 -0.476 0.000 0.900 137 K CB 0.207 32.415 32.500 -0.488 0.000 1.124 137 K HN 0.364 nan 8.250 nan 0.000 0.469 138 F N 4.193 123.882 119.950 -0.436 0.000 2.404 138 F HA 0.203 4.710 4.527 -0.032 0.000 0.358 138 F C -0.224 175.446 175.800 -0.216 0.000 1.120 138 F CA -0.557 57.299 58.000 -0.240 0.000 1.144 138 F CB 0.530 39.446 39.000 -0.140 0.000 1.133 138 F HN 0.431 nan 8.300 nan 0.000 0.495 139 Y N 1.674 122.050 120.300 0.126 0.000 2.667 139 Y HA 0.174 4.702 4.550 -0.038 0.000 0.340 139 Y C 1.188 177.140 175.900 0.087 0.000 1.303 139 Y CA -0.853 57.292 58.100 0.075 0.000 1.769 139 Y CB -0.690 37.791 38.460 0.035 0.000 1.804 139 Y HN 0.562 nan 8.280 nan 0.000 0.451 140 T N -2.315 112.348 114.554 0.181 0.000 2.788 140 T HA 0.389 4.717 4.350 -0.037 0.000 0.287 140 T C 1.450 176.196 174.700 0.077 0.000 1.007 140 T CA -0.266 61.902 62.100 0.113 0.000 1.005 140 T CB 1.409 70.291 68.868 0.023 0.000 1.012 140 T HN 0.508 nan 8.240 nan 0.000 0.530 141 A N 0.435 123.282 122.820 0.044 0.000 2.168 141 A HA 0.086 4.384 4.320 -0.037 0.000 0.215 141 A C 1.523 179.111 177.584 0.007 0.000 1.152 141 A CA 0.910 52.964 52.037 0.027 0.000 0.716 141 A CB -0.465 18.546 19.000 0.019 0.000 0.794 141 A HN 0.854 nan 8.150 nan 0.000 0.465 142 D N -1.115 119.280 120.400 -0.009 0.000 2.398 142 D HA 0.394 5.012 4.640 -0.037 0.000 0.210 142 D C 0.885 177.179 176.300 -0.010 0.000 1.094 142 D CA 1.190 55.177 54.000 -0.023 0.000 0.839 142 D CB 0.643 41.408 40.800 -0.058 0.000 0.963 142 D HN 0.535 nan 8.370 nan 0.000 0.506 143 G N 0.630 109.439 108.800 0.015 0.000 2.371 143 G HA2 -0.149 3.789 3.960 -0.037 0.000 0.663 143 G HA3 -0.149 3.789 3.960 -0.037 0.000 0.663 143 G C -1.159 173.767 174.900 0.043 0.000 1.311 143 G CA -1.075 44.041 45.100 0.027 0.000 0.985 143 G HN -0.031 nan 8.290 nan 0.000 0.566 144 N N -0.281 118.438 118.700 0.032 0.000 2.444 144 N HA 0.501 5.219 4.740 -0.037 0.000 0.271 144 N C -0.963 174.580 175.510 0.055 0.000 1.069 144 N CA -0.065 52.984 53.050 -0.002 0.000 0.965 144 N CB 1.253 39.682 38.487 -0.097 0.000 1.092 144 N HN 0.631 nan 8.380 nan 0.000 0.476 145 W N 2.927 124.137 121.300 -0.150 0.000 2.471 145 W HA 0.361 5.000 4.660 -0.035 0.000 0.318 145 W C -1.323 175.126 176.519 -0.116 0.000 1.034 145 W CA -0.824 56.412 57.345 -0.181 0.000 1.224 145 W CB 0.793 30.061 29.460 -0.319 0.000 1.335 145 W HN 0.343 nan 8.180 nan 0.000 0.452 146 D N 5.942 126.004 120.400 -0.562 0.000 2.303 146 D HA 0.222 4.840 4.640 -0.037 0.000 0.236 146 D C -0.989 174.720 176.300 -0.985 0.000 1.068 146 D CA -0.434 53.169 54.000 -0.660 0.000 0.830 146 D CB 2.010 42.573 40.800 -0.395 0.000 1.109 146 D HN 0.351 nan 8.370 nan 0.000 0.496 147 L N 3.540 124.175 121.223 -0.979 0.000 2.297 147 L HA 0.263 4.581 4.340 -0.037 0.000 0.277 147 L C -1.120 175.480 176.870 -0.449 0.000 1.040 147 L CA -0.649 53.678 54.840 -0.853 0.000 0.867 147 L CB 0.985 42.450 42.059 -0.990 0.000 1.244 147 L HN 0.099 nan 8.230 nan 0.000 0.433 148 V N 5.751 125.461 119.914 -0.341 0.000 2.304 148 V HA 0.695 4.794 4.120 -0.037 0.000 0.262 148 V C 0.905 176.917 176.094 -0.136 0.000 1.061 148 V CA 0.108 62.260 62.300 -0.246 0.000 0.872 148 V CB 0.010 31.639 31.823 -0.323 0.000 1.077 148 V HN 0.830 nan 8.190 nan 0.000 0.480 149 G N 3.648 112.394 108.800 -0.090 0.000 3.175 149 G HA2 0.660 4.598 3.960 -0.037 0.000 0.255 149 G HA3 0.660 4.598 3.960 -0.037 0.000 0.255 149 G C -0.975 173.975 174.900 0.083 0.000 1.352 149 G CA -0.631 44.463 45.100 -0.009 0.000 1.037 149 G HN 0.489 nan 8.290 nan 0.000 0.556 150 N N -0.924 117.864 118.700 0.147 0.000 2.571 150 N HA 0.223 4.941 4.740 -0.037 0.000 0.273 150 N C 0.913 176.589 175.510 0.277 0.000 1.340 150 N CA -0.676 52.507 53.050 0.223 0.000 0.789 150 N CB 1.798 40.415 38.487 0.217 0.000 1.514 150 N HN 0.498 nan 8.380 nan 0.000 0.499 151 N N 0.014 118.890 118.700 0.293 0.000 2.216 151 N HA -0.064 4.654 4.740 -0.037 0.000 0.183 151 N C 0.044 175.820 175.510 0.443 0.000 1.017 151 N CA 1.089 54.369 53.050 0.384 0.000 0.861 151 N CB -0.392 38.333 38.487 0.397 0.000 0.986 151 N HN 0.308 nan 8.380 nan 0.000 0.428 152 F N 1.934 122.008 119.950 0.207 0.000 2.484 152 F HA 0.253 4.758 4.527 -0.036 0.000 0.360 152 F C -1.122 174.728 175.800 0.083 0.000 1.101 152 F CA -2.684 55.389 58.000 0.122 0.000 1.251 152 F CB 0.120 39.157 39.000 0.062 0.000 1.132 152 F HN 0.021 nan 8.300 nan 0.000 0.570 153 P HA -0.002 nan 4.420 nan 0.000 0.231 153 P C 0.107 177.415 177.300 0.014 0.000 1.168 153 P CA 0.775 63.913 63.100 0.064 0.000 0.779 153 P CB 0.141 31.826 31.700 -0.024 0.000 0.844 154 T N -4.020 110.560 114.554 0.044 0.000 2.916 154 T HA 0.634 4.962 4.350 -0.037 0.000 0.292 154 T C -0.997 173.762 174.700 0.098 0.000 1.064 154 T CA -0.779 61.333 62.100 0.020 0.000 1.011 154 T CB 1.763 70.601 68.868 -0.050 0.000 1.152 154 T HN -0.161 nan 8.240 nan 0.000 0.510 155 F N -0.582 119.315 119.950 -0.089 0.000 2.594 155 F HA 0.576 5.080 4.527 -0.037 0.000 0.335 155 F C 0.350 176.111 175.800 -0.065 0.000 1.058 155 F CA -1.633 56.323 58.000 -0.073 0.000 0.981 155 F CB 1.664 40.734 39.000 0.117 0.000 1.289 155 F HN 0.613 nan 8.300 nan 0.000 0.490 156 F N 1.947 121.783 119.950 -0.189 0.000 2.367 156 F HA 0.099 4.603 4.527 -0.037 0.000 0.298 156 F C 0.606 176.566 175.800 0.266 0.000 1.094 156 F CA 0.475 58.488 58.000 0.022 0.000 1.409 156 F CB -0.182 38.863 39.000 0.075 0.000 1.064 156 F HN 0.082 nan 8.300 nan 0.000 0.528 157 I N -1.599 119.341 120.570 0.617 0.000 3.108 157 I HA 0.524 4.672 4.170 -0.037 0.000 0.312 157 I C 0.464 176.859 176.117 0.463 0.000 1.095 157 I CA -1.184 60.439 61.300 0.539 0.000 1.000 157 I CB 2.271 40.627 38.000 0.593 0.000 1.229 157 I HN -0.044 nan 8.210 nan 0.000 0.454 158 R N 0.001 120.695 120.500 0.323 0.000 2.572 158 R HA 0.425 4.743 4.340 -0.037 0.000 0.370 158 R C -0.881 175.536 176.300 0.196 0.000 1.005 158 R CA -0.351 55.896 56.100 0.244 0.000 1.146 158 R CB 0.388 30.791 30.300 0.171 0.000 1.390 158 R HN 0.701 nan 8.270 nan 0.000 0.553 159 D N 0.207 120.736 120.400 0.215 0.000 2.970 159 D HA 0.260 4.878 4.640 -0.037 0.000 0.230 159 D C 0.260 176.675 176.300 0.192 0.000 1.276 159 D CA -0.367 53.728 54.000 0.158 0.000 0.910 159 D CB 2.306 43.181 40.800 0.125 0.000 1.590 159 D HN 0.060 nan 8.370 nan 0.000 0.551 160 A N 4.027 126.933 122.820 0.144 0.000 2.125 160 A HA -0.122 4.176 4.320 -0.037 0.000 0.219 160 A C 2.094 179.785 177.584 0.177 0.000 1.156 160 A CA 0.656 52.787 52.037 0.156 0.000 0.671 160 A CB -0.441 18.600 19.000 0.069 0.000 0.794 160 A HN 0.742 nan 8.150 nan 0.000 0.459 161 I N -1.213 119.438 120.570 0.136 0.000 2.454 161 I HA -0.192 3.956 4.170 -0.037 0.000 0.254 161 I C 1.397 177.599 176.117 0.140 0.000 1.156 161 I CA 1.245 62.612 61.300 0.113 0.000 1.433 161 I CB 0.092 38.138 38.000 0.076 0.000 1.082 161 I HN 0.075 nan 8.210 nan 0.000 0.432 162 K N -0.067 120.453 120.400 0.201 0.000 2.426 162 K HA -0.019 4.279 4.320 -0.037 0.000 0.193 162 K C 1.581 178.315 176.600 0.223 0.000 1.028 162 K CA 0.332 56.754 56.287 0.226 0.000 1.047 162 K CB -0.438 32.251 32.500 0.315 0.000 0.821 162 K HN 0.251 nan 8.250 nan 0.000 0.513 163 F N 3.091 123.110 119.950 0.115 0.000 2.065 163 F HA -0.163 4.341 4.527 -0.037 0.000 0.298 163 F C -0.972 174.797 175.800 -0.052 0.000 1.112 163 F CA 1.412 59.477 58.000 0.108 0.000 1.212 163 F CB -1.058 38.020 39.000 0.130 0.000 0.975 163 F HN 0.039 nan 8.300 nan 0.000 0.476 164 P HA -0.159 nan 4.420 nan 0.000 0.215 164 P C 1.284 178.147 177.300 -0.728 0.000 1.153 164 P CA 2.099 64.934 63.100 -0.441 0.000 0.853 164 P CB -0.138 31.392 31.700 -0.282 0.000 0.788 165 D N -0.939 119.174 120.400 -0.479 0.000 2.104 165 D HA -0.177 4.441 4.640 -0.037 0.000 0.194 165 D C 1.904 177.619 176.300 -0.975 0.000 0.994 165 D CA 1.177 54.848 54.000 -0.549 0.000 0.830 165 D CB -0.553 40.091 40.800 -0.260 0.000 0.959 165 D HN 0.159 nan 8.370 nan 0.000 0.452 166 M N 0.931 119.958 119.600 -0.956 0.000 2.086 166 M HA -0.163 4.295 4.480 -0.037 0.000 0.261 166 M C 2.209 178.091 176.300 -0.698 0.000 1.067 166 M CA 1.267 55.914 55.300 -1.088 0.000 1.116 166 M CB 0.032 32.445 32.600 -0.311 0.000 1.348 166 M HN -0.153 nan 8.290 nan 0.000 0.407 167 V N -0.024 119.539 119.914 -0.585 0.000 2.358 167 V HA -0.300 3.798 4.120 -0.037 0.000 0.246 167 V C 1.987 177.951 176.094 -0.217 0.000 1.047 167 V CA 2.083 64.150 62.300 -0.388 0.000 1.035 167 V CB -1.244 30.247 31.823 -0.554 0.000 0.658 167 V HN 0.573 nan 8.190 nan 0.000 0.452 168 H N -0.206 118.650 119.070 -0.357 0.000 2.421 168 H HA -0.092 4.442 4.556 -0.037 0.000 0.298 168 H C 2.269 177.406 175.328 -0.318 0.000 1.087 168 H CA 1.015 56.892 56.048 -0.287 0.000 1.330 168 H CB 0.036 29.646 29.762 -0.253 0.000 1.388 168 H HN 0.490 nan 8.280 nan 0.000 0.526 169 A N 0.465 123.054 122.820 -0.386 0.000 1.970 169 A HA -0.068 4.230 4.320 -0.037 0.000 0.216 169 A C 1.961 179.338 177.584 -0.345 0.000 1.170 169 A CA 0.673 52.444 52.037 -0.444 0.000 0.645 169 A CB -0.639 17.904 19.000 -0.761 0.000 0.816 169 A HN 0.318 nan 8.150 nan 0.000 0.447 170 F N 0.467 120.208 119.950 -0.347 0.000 2.206 170 F HA -0.024 4.482 4.527 -0.035 0.000 0.298 170 F C 1.339 177.004 175.800 -0.224 0.000 1.090 170 F CA 0.483 58.320 58.000 -0.270 0.000 1.323 170 F CB 0.166 38.989 39.000 -0.296 0.000 1.028 170 F HN -0.040 nan 8.300 nan 0.000 0.492 171 K N 0.976 121.359 120.400 -0.029 0.000 2.187 171 K HA 0.119 4.417 4.320 -0.037 0.000 0.247 171 K C -2.236 174.313 176.600 -0.085 0.000 1.019 171 K CA -1.394 54.819 56.287 -0.123 0.000 0.893 171 K CB -0.492 31.943 32.500 -0.109 0.000 1.025 171 K HN -0.134 nan 8.250 nan 0.000 0.500 172 P HA -0.117 nan 4.420 nan 0.000 0.269 172 P C -0.305 176.975 177.300 -0.033 0.000 1.211 172 P CA 0.112 63.203 63.100 -0.015 0.000 0.781 172 P CB 0.322 32.034 31.700 0.020 0.000 0.877 173 D N 2.774 123.166 120.400 -0.015 0.000 2.493 173 D HA -0.029 4.589 4.640 -0.037 0.000 0.240 173 D C -1.223 175.052 176.300 -0.040 0.000 1.142 173 D CA -1.333 52.651 54.000 -0.027 0.000 0.872 173 D CB 0.553 41.350 40.800 -0.006 0.000 1.173 173 D HN 0.194 nan 8.370 nan 0.000 0.467 174 P HA -0.063 nan 4.420 nan 0.000 0.226 174 P C 0.971 178.242 177.300 -0.048 0.000 1.153 174 P CA 0.809 63.864 63.100 -0.075 0.000 0.777 174 P CB 0.371 32.007 31.700 -0.107 0.000 0.794 175 R N -0.321 120.160 120.500 -0.033 0.000 2.127 175 R HA 0.035 4.353 4.340 -0.037 0.000 0.217 175 R C 1.958 178.251 176.300 -0.012 0.000 1.074 175 R CA 1.913 58.001 56.100 -0.021 0.000 0.991 175 R CB -0.404 29.888 30.300 -0.014 0.000 0.895 175 R HN 0.316 nan 8.270 nan 0.000 0.450 176 T N -4.322 110.228 114.554 -0.007 0.000 2.969 176 T HA 0.108 4.437 4.350 -0.037 0.000 0.258 176 T C 0.479 175.183 174.700 0.007 0.000 0.962 176 T CA 0.062 62.163 62.100 0.002 0.000 0.903 176 T CB 0.285 69.159 68.868 0.009 0.000 1.177 176 T HN 0.142 nan 8.240 nan 0.000 0.511 177 N N 0.375 119.078 118.700 0.004 0.000 2.782 177 N HA -0.122 4.596 4.740 -0.037 0.000 0.251 177 N C -0.952 174.580 175.510 0.037 0.000 1.101 177 N CA 0.513 53.572 53.050 0.015 0.000 0.764 177 N CB -2.026 36.470 38.487 0.015 0.000 1.122 177 N HN 0.695 nan 8.380 nan 0.000 0.561 178 L N 0.296 121.540 121.223 0.036 0.000 2.346 178 L HA 0.435 4.753 4.340 -0.037 0.000 0.276 178 L C 0.160 177.070 176.870 0.067 0.000 1.006 178 L CA -1.123 53.749 54.840 0.053 0.000 0.817 178 L CB 1.208 43.291 42.059 0.041 0.000 1.272 178 L HN 0.021 nan 8.230 nan 0.000 0.421 179 D N 2.261 122.722 120.400 0.101 0.000 2.548 179 D HA -0.042 4.576 4.640 -0.037 0.000 0.231 179 D C -0.148 176.204 176.300 0.087 0.000 1.142 179 D CA 0.912 54.983 54.000 0.118 0.000 0.866 179 D CB 0.475 41.366 40.800 0.151 0.000 1.190 179 D HN 0.355 nan 8.370 nan 0.000 0.469 180 N N 1.453 120.201 118.700 0.080 0.000 2.701 180 N HA 0.044 4.762 4.740 -0.037 0.000 0.258 180 N C -0.599 174.959 175.510 0.079 0.000 1.262 180 N CA -0.418 52.676 53.050 0.073 0.000 0.780 180 N CB 0.696 39.211 38.487 0.047 0.000 1.380 180 N HN -0.015 nan 8.380 nan 0.000 0.548 181 D N 0.029 120.506 120.400 0.127 0.000 2.350 181 D HA -0.100 4.518 4.640 -0.037 0.000 0.216 181 D C 1.604 178.012 176.300 0.179 0.000 0.968 181 D CA 0.924 55.015 54.000 0.151 0.000 0.894 181 D CB 0.189 41.165 40.800 0.293 0.000 0.909 181 D HN 0.646 nan 8.370 nan 0.000 0.520 182 S N 0.082 115.887 115.700 0.176 0.000 2.447 182 S HA -0.087 4.361 4.470 -0.037 0.000 0.233 182 S C 1.853 176.526 174.600 0.122 0.000 1.006 182 S CA 0.318 58.633 58.200 0.192 0.000 0.957 182 S CB -0.076 63.203 63.200 0.132 0.000 0.773 182 S HN 0.204 nan 8.310 nan 0.000 0.507 183 R N 1.843 122.369 120.500 0.043 0.000 2.062 183 R HA 0.003 4.321 4.340 -0.037 0.000 0.229 183 R C 2.793 179.045 176.300 -0.080 0.000 1.128 183 R CA 1.557 57.650 56.100 -0.011 0.000 0.960 183 R CB -0.391 29.884 30.300 -0.041 0.000 0.855 183 R HN 0.666 nan 8.270 nan 0.000 0.432 184 R N 0.154 120.530 120.500 -0.206 0.000 2.096 184 R HA -0.087 4.231 4.340 -0.037 0.000 0.235 184 R C 1.605 177.758 176.300 -0.246 0.000 1.127 184 R CA 1.602 57.453 56.100 -0.414 0.000 0.968 184 R CB -0.600 29.349 30.300 -0.585 0.000 0.861 184 R HN 0.197 nan 8.270 nan 0.000 0.440 185 F N 1.417 121.473 119.950 0.175 0.000 2.615 185 F HA -0.004 4.501 4.527 -0.037 0.000 0.297 185 F C 2.083 177.972 175.800 0.149 0.000 1.124 185 F CA 0.600 58.726 58.000 0.210 0.000 1.451 185 F CB -0.098 39.005 39.000 0.173 0.000 1.103 185 F HN 0.126 nan 8.300 nan 0.000 0.569 186 D N 0.517 121.059 120.400 0.237 0.000 2.097 186 D HA -0.247 4.371 4.640 -0.037 0.000 0.197 186 D C 2.050 178.517 176.300 0.279 0.000 0.984 186 D CA 1.304 55.428 54.000 0.208 0.000 0.826 186 D CB -0.353 40.542 40.800 0.158 0.000 0.973 186 D HN 0.229 nan 8.370 nan 0.000 0.460 187 F N 0.011 119.962 119.950 0.002 0.000 2.084 187 F HA -0.029 4.476 4.527 -0.037 0.000 0.296 187 F C 2.006 177.832 175.800 0.044 0.000 1.111 187 F CA 1.367 59.320 58.000 -0.079 0.000 1.224 187 F CB -0.701 38.036 39.000 -0.440 0.000 0.991 187 F HN -0.071 nan 8.300 nan 0.000 0.471 188 F N 0.538 120.548 119.950 0.100 0.000 2.546 188 F HA -0.140 4.365 4.527 -0.037 0.000 0.298 188 F C 2.673 178.585 175.800 0.187 0.000 1.120 188 F CA 0.731 58.777 58.000 0.076 0.000 1.456 188 F CB -0.526 38.602 39.000 0.214 0.000 1.088 188 F HN 0.156 nan 8.300 nan 0.000 0.572 189 S N -1.173 114.700 115.700 0.289 0.000 2.507 189 S HA -0.186 4.262 4.470 -0.037 0.000 0.235 189 S C 1.083 175.703 174.600 0.034 0.000 0.988 189 S CA 1.004 59.270 58.200 0.110 0.000 0.944 189 S CB -0.711 62.448 63.200 -0.068 0.000 0.762 189 S HN 0.488 nan 8.310 nan 0.000 0.526 190 H N -0.241 118.879 119.070 0.085 0.000 2.586 190 H HA 0.448 4.982 4.556 -0.037 0.000 0.273 190 H C -0.339 174.996 175.328 0.012 0.000 0.997 190 H CA 0.180 56.243 56.048 0.026 0.000 1.177 190 H CB 0.687 30.378 29.762 -0.120 0.000 1.471 190 H HN 0.295 nan 8.280 nan 0.000 0.538 191 V N 3.247 123.256 119.914 0.158 0.000 2.313 191 V HA 0.122 4.220 4.120 -0.037 0.000 0.262 191 V C -1.704 174.434 176.094 0.073 0.000 1.011 191 V CA -1.033 61.328 62.300 0.101 0.000 0.858 191 V CB 1.618 33.518 31.823 0.129 0.000 1.104 191 V HN 0.180 nan 8.190 nan 0.000 0.456 192 P HA -0.153 nan 4.420 nan 0.000 0.222 192 P C 1.337 178.428 177.300 -0.348 0.000 1.147 192 P CA 1.056 63.758 63.100 -0.663 0.000 0.790 192 P CB 0.414 31.623 31.700 -0.818 0.000 0.780 193 E N 0.623 120.719 120.200 -0.173 0.000 2.338 193 E HA -0.096 4.233 4.350 -0.037 0.000 0.197 193 E C 1.565 178.176 176.600 0.017 0.000 1.007 193 E CA 1.060 57.404 56.400 -0.093 0.000 0.849 193 E CB -0.854 28.838 29.700 -0.014 0.000 0.774 193 E HN 0.169 nan 8.360 nan 0.000 0.506 194 A N 1.215 124.092 122.820 0.095 0.000 2.238 194 A HA 0.061 4.359 4.320 -0.037 0.000 0.208 194 A C 2.070 179.723 177.584 0.116 0.000 1.177 194 A CA 0.734 52.847 52.037 0.127 0.000 0.804 194 A CB -0.530 18.503 19.000 0.054 0.000 0.823 194 A HN 0.247 nan 8.150 nan 0.000 0.482 195 T N -0.098 114.531 114.554 0.124 0.000 2.652 195 T HA -0.219 4.109 4.350 -0.037 0.000 0.267 195 T C 2.073 176.906 174.700 0.223 0.000 1.039 195 T CA 1.685 63.924 62.100 0.233 0.000 1.153 195 T CB -0.241 68.793 68.868 0.278 0.000 0.863 195 T HN 0.618 nan 8.240 nan 0.000 0.428 196 R N 0.535 121.102 120.500 0.110 0.000 2.082 196 R HA -0.138 4.180 4.340 -0.037 0.000 0.234 196 R C 2.391 178.704 176.300 0.022 0.000 1.136 196 R CA 2.049 58.188 56.100 0.065 0.000 0.935 196 R CB -0.635 29.653 30.300 -0.020 0.000 0.842 196 R HN 0.346 nan 8.270 nan 0.000 0.430 197 T N 1.408 115.915 114.554 -0.078 0.000 2.951 197 T HA -0.019 4.309 4.350 -0.037 0.000 0.268 197 T C 1.790 176.463 174.700 -0.044 0.000 1.073 197 T CA 0.770 62.706 62.100 -0.272 0.000 1.134 197 T CB -0.021 68.424 68.868 -0.705 0.000 0.884 197 T HN 0.180 nan 8.240 nan 0.000 0.479 198 L N 0.894 122.262 121.223 0.241 0.000 2.093 198 L HA -0.101 4.217 4.340 -0.037 0.000 0.208 198 L C 2.877 180.026 176.870 0.465 0.000 1.085 198 L CA 1.085 56.175 54.840 0.416 0.000 0.755 198 L CB -0.967 41.339 42.059 0.411 0.000 0.904 198 L HN 0.270 nan 8.230 nan 0.000 0.435 199 T N 0.169 115.014 114.554 0.485 0.000 2.746 199 T HA -0.163 4.165 4.350 -0.037 0.000 0.267 199 T C 1.951 176.836 174.700 0.308 0.000 1.039 199 T CA 1.159 63.589 62.100 0.550 0.000 1.142 199 T CB -0.191 68.962 68.868 0.475 0.000 0.866 199 T HN 0.199 nan 8.240 nan 0.000 0.444 200 L N 0.213 121.454 121.223 0.030 0.000 2.141 200 L HA -0.016 4.302 4.340 -0.037 0.000 0.209 200 L C 2.363 179.053 176.870 -0.301 0.000 1.094 200 L CA 0.638 55.297 54.840 -0.301 0.000 0.763 200 L CB -0.389 41.109 42.059 -0.934 0.000 0.908 200 L HN 0.226 nan 8.230 nan 0.000 0.437 201 L N -1.193 120.000 121.223 -0.050 0.000 2.044 201 L HA -0.181 4.137 4.340 -0.037 0.000 0.205 201 L C 2.055 178.893 176.870 -0.053 0.000 1.075 201 L CA 1.792 56.702 54.840 0.117 0.000 0.747 201 L CB -0.529 41.627 42.059 0.162 0.000 0.903 201 L HN 0.103 nan 8.230 nan 0.000 0.435 202 Y N -0.334 120.040 120.300 0.123 0.000 2.578 202 Y HA 0.085 4.614 4.550 -0.035 0.000 0.297 202 Y C 1.886 177.878 175.900 0.153 0.000 1.176 202 Y CA 0.336 58.510 58.100 0.122 0.000 1.315 202 Y CB -0.440 38.045 38.460 0.041 0.000 1.031 202 Y HN 0.317 nan 8.280 nan 0.000 0.524 203 S N -0.188 115.635 115.700 0.205 0.000 2.640 203 S HA 0.031 4.479 4.470 -0.037 0.000 0.262 203 S C 1.104 175.728 174.600 0.039 0.000 1.232 203 S CA -0.563 57.662 58.200 0.041 0.000 0.988 203 S CB 0.506 63.645 63.200 -0.101 0.000 1.034 203 S HN 0.262 nan 8.310 nan 0.000 0.569 204 N N 0.876 119.555 118.700 -0.034 0.000 2.521 204 N HA 0.037 4.755 4.740 -0.037 0.000 0.188 204 N C 1.013 176.576 175.510 0.088 0.000 1.146 204 N CA 0.312 53.376 53.050 0.023 0.000 0.893 204 N CB -0.235 38.243 38.487 -0.016 0.000 0.975 204 N HN 0.608 nan 8.380 nan 0.000 0.451 205 E N -0.011 120.262 120.200 0.122 0.000 2.427 205 E HA 0.008 4.336 4.350 -0.037 0.000 0.196 205 E C 1.663 178.518 176.600 0.425 0.000 1.028 205 E CA 0.175 56.733 56.400 0.262 0.000 0.864 205 E CB -0.093 29.781 29.700 0.289 0.000 0.813 205 E HN 0.344 nan 8.360 nan 0.000 0.514 206 G N 1.725 110.734 108.800 0.349 0.000 2.559 206 G HA2 -0.143 3.795 3.960 -0.037 0.000 0.216 206 G HA3 -0.143 3.795 3.960 -0.037 0.000 0.216 206 G C 0.869 175.934 174.900 0.276 0.000 1.126 206 G CA 1.102 46.420 45.100 0.363 0.000 0.778 206 G HN 0.245 nan 8.290 nan 0.000 0.543 207 T N -1.065 113.615 114.554 0.210 0.000 3.198 207 T HA 0.545 4.873 4.350 -0.037 0.000 0.352 207 T C -3.137 171.622 174.700 0.099 0.000 1.197 207 T CA -1.903 60.291 62.100 0.155 0.000 1.427 207 T CB 2.825 71.757 68.868 0.108 0.000 0.983 207 T HN -0.149 nan 8.240 nan 0.000 0.560 208 P HA 0.360 nan 4.420 nan 0.000 0.271 208 P C 0.731 178.069 177.300 0.062 0.000 1.233 208 P CA -0.355 62.756 63.100 0.018 0.000 0.789 208 P CB 0.544 32.173 31.700 -0.119 0.000 0.951 209 A N 0.563 123.433 122.820 0.084 0.000 2.115 209 A HA 0.510 4.808 4.320 -0.037 0.000 0.211 209 A C 0.912 178.593 177.584 0.162 0.000 1.169 209 A CA 1.193 53.300 52.037 0.116 0.000 0.787 209 A CB -0.474 18.518 19.000 -0.013 0.000 0.858 209 A HN 0.648 nan 8.150 nan 0.000 0.474 210 G N -3.018 105.860 108.800 0.130 0.000 2.632 210 G HA2 0.414 4.352 3.960 -0.037 0.000 0.292 210 G HA3 0.414 4.352 3.960 -0.037 0.000 0.292 210 G C -0.320 174.454 174.900 -0.211 0.000 1.465 210 G CA -0.442 44.636 45.100 -0.037 0.000 0.824 210 G HN -0.053 nan 8.290 nan 0.000 0.509 211 Y N 0.294 120.372 120.300 -0.370 0.000 2.439 211 Y HA 0.015 4.540 4.550 -0.042 0.000 0.292 211 Y C 2.985 178.588 175.900 -0.494 0.000 1.130 211 Y CA 0.872 58.612 58.100 -0.599 0.000 1.254 211 Y CB 0.008 37.730 38.460 -1.229 0.000 1.000 211 Y HN 0.476 nan 8.280 nan 0.000 0.554 212 R N -0.907 119.343 120.500 -0.416 0.000 2.189 212 R HA -0.073 4.245 4.340 -0.037 0.000 0.223 212 R C 0.320 176.159 176.300 -0.768 0.000 1.092 212 R CA 0.977 56.691 56.100 -0.642 0.000 0.989 212 R CB -0.362 29.298 30.300 -1.068 0.000 0.876 212 R HN 0.284 nan 8.270 nan 0.000 0.457 213 F N 0.897 120.838 119.950 -0.016 0.000 2.925 213 F HA 0.306 4.810 4.527 -0.038 0.000 0.302 213 F C 0.404 176.273 175.800 0.114 0.000 1.189 213 F CA -0.750 57.257 58.000 0.012 0.000 1.346 213 F CB 0.274 39.263 39.000 -0.018 0.000 0.954 213 F HN -0.095 nan 8.300 nan 0.000 0.506 214 M N -2.252 117.539 119.600 0.320 0.000 2.531 214 M HA 0.628 5.086 4.480 -0.037 0.000 0.286 214 M C -1.675 174.987 176.300 0.604 0.000 1.232 214 M CA -0.874 54.669 55.300 0.404 0.000 0.877 214 M CB 2.165 34.974 32.600 0.348 0.000 1.726 214 M HN -0.306 nan 8.290 nan 0.000 0.463 215 D N 0.824 121.564 120.400 0.566 0.000 2.451 215 D HA 0.762 5.380 4.640 -0.037 0.000 0.259 215 D C -0.391 176.319 176.300 0.684 0.000 1.201 215 D CA 0.098 54.503 54.000 0.675 0.000 1.028 215 D CB 1.613 42.770 40.800 0.595 0.000 1.095 215 D HN 0.893 nan 8.370 nan 0.000 0.539 216 G N 0.023 109.163 108.800 0.566 0.000 2.591 216 G HA2 0.510 4.448 3.960 -0.037 0.000 0.306 216 G HA3 0.510 4.448 3.960 -0.037 0.000 0.306 216 G C -0.882 174.185 174.900 0.279 0.000 1.334 216 G CA -0.554 44.718 45.100 0.287 0.000 0.981 216 G HN 0.308 nan 8.290 nan 0.000 0.491 217 N N 0.086 118.900 118.700 0.190 0.000 2.229 217 N HA 0.350 5.068 4.740 -0.037 0.000 0.298 217 N C 0.872 176.415 175.510 0.054 0.000 1.114 217 N CA -0.286 52.843 53.050 0.132 0.000 0.776 217 N CB 2.482 41.046 38.487 0.128 0.000 1.501 217 N HN 0.571 nan 8.380 nan 0.000 0.474 218 G N 0.011 108.843 108.800 0.054 0.000 2.572 218 G HA2 0.099 4.037 3.960 -0.037 0.000 0.216 218 G HA3 0.099 4.037 3.960 -0.037 0.000 0.216 218 G C 1.038 175.970 174.900 0.054 0.000 1.133 218 G CA 0.809 45.974 45.100 0.108 0.000 0.791 218 G HN 0.458 nan 8.290 nan 0.000 0.538 219 V N -0.112 119.772 119.914 -0.050 0.000 0.582 219 V HA -0.305 3.793 4.120 -0.037 0.000 0.092 219 V C 0.992 176.935 176.094 -0.252 0.000 1.874 219 V CA 2.024 64.202 62.300 -0.203 0.000 3.418 219 V CB -1.506 30.110 31.823 -0.345 0.000 0.707 219 V HN 0.617 nan 8.190 nan 0.000 0.732 220 H N 0.476 119.548 119.070 0.004 0.000 2.603 220 H HA 0.675 5.209 4.556 -0.037 0.000 0.370 220 H C 0.458 175.758 175.328 -0.047 0.000 1.225 220 H CA 0.186 56.190 56.048 -0.073 0.000 1.410 220 H CB 0.766 30.406 29.762 -0.204 0.000 1.495 220 H HN 0.805 nan 8.280 nan 0.000 0.602 221 A N 2.048 124.916 122.820 0.079 0.000 2.401 221 A HA 0.324 4.622 4.320 -0.037 0.000 0.259 221 A C -0.829 176.855 177.584 0.166 0.000 1.103 221 A CA -0.192 51.928 52.037 0.138 0.000 0.789 221 A CB -0.245 18.961 19.000 0.344 0.000 1.035 221 A HN 0.525 nan 8.150 nan 0.000 0.491 222 Y N 0.728 121.148 120.300 0.199 0.000 2.488 222 Y HA 0.462 4.991 4.550 -0.036 0.000 0.325 222 Y C 0.805 176.772 175.900 0.112 0.000 1.204 222 Y CA -0.386 57.837 58.100 0.204 0.000 1.229 222 Y CB 1.591 40.253 38.460 0.337 0.000 1.274 222 Y HN 0.670 nan 8.280 nan 0.000 0.493 223 K N 2.195 122.691 120.400 0.161 0.000 2.293 223 K HA 0.591 4.889 4.320 -0.037 0.000 0.267 223 K C -1.691 174.898 176.600 -0.017 0.000 1.010 223 K CA -0.402 55.836 56.287 -0.081 0.000 0.875 223 K CB 0.596 32.919 32.500 -0.296 0.000 1.106 223 K HN 0.558 nan 8.250 nan 0.000 0.450 224 L N 3.678 124.882 121.223 -0.032 0.000 2.305 224 L HA 0.440 4.758 4.340 -0.037 0.000 0.281 224 L C -0.432 176.426 176.870 -0.020 0.000 1.085 224 L CA -1.203 53.625 54.840 -0.021 0.000 0.813 224 L CB 1.545 43.571 42.059 -0.055 0.000 1.157 224 L HN 0.539 nan 8.230 nan 0.000 0.436 225 V N 4.157 124.062 119.914 -0.015 0.000 2.487 225 V HA 0.398 4.496 4.120 -0.037 0.000 0.298 225 V C -0.346 175.752 176.094 0.005 0.000 1.028 225 V CA -0.608 61.689 62.300 -0.006 0.000 0.860 225 V CB 1.849 33.664 31.823 -0.015 0.000 0.991 225 V HN 0.958 nan 8.190 nan 0.000 0.427 226 N N 6.155 124.869 118.700 0.023 0.000 2.405 226 N HA 0.470 5.188 4.740 -0.037 0.000 0.269 226 N C 0.985 176.500 175.510 0.008 0.000 1.249 226 N CA 0.074 53.134 53.050 0.017 0.000 0.974 226 N CB 1.148 39.654 38.487 0.033 0.000 1.204 226 N HN 0.650 nan 8.380 nan 0.000 0.565 227 A N -0.619 122.204 122.820 0.006 0.000 2.125 227 A HA -0.109 4.189 4.320 -0.037 0.000 0.219 227 A C 1.505 179.089 177.584 0.001 0.000 1.156 227 A CA 1.008 53.045 52.037 0.001 0.000 0.671 227 A CB -0.605 18.395 19.000 0.000 0.000 0.794 227 A HN 0.699 nan 8.150 nan 0.000 0.459 228 K N -1.464 118.939 120.400 0.005 0.000 2.444 228 K HA 0.201 4.499 4.320 -0.037 0.000 0.193 228 K C 1.121 177.721 176.600 -0.001 0.000 1.024 228 K CA 0.518 56.806 56.287 0.002 0.000 1.077 228 K CB 0.051 32.554 32.500 0.006 0.000 0.833 228 K HN 0.630 nan 8.250 nan 0.000 0.517 229 G N 1.901 110.701 108.800 -0.001 0.000 2.175 229 G HA2 -0.268 3.670 3.960 -0.037 0.000 0.244 229 G HA3 -0.268 3.670 3.960 -0.037 0.000 0.244 229 G C -0.253 174.639 174.900 -0.013 0.000 0.982 229 G CA -0.133 44.964 45.100 -0.005 0.000 0.641 229 G HN 0.384 nan 8.290 nan 0.000 0.527 230 E N -0.124 120.070 120.200 -0.010 0.000 2.383 230 E HA 0.477 4.805 4.350 -0.037 0.000 0.264 230 E C 0.195 176.771 176.600 -0.040 0.000 1.050 230 E CA -0.169 56.211 56.400 -0.033 0.000 0.896 230 E CB 1.684 31.376 29.700 -0.013 0.000 0.982 230 E HN 0.149 nan 8.360 nan 0.000 0.424 231 V N 2.739 122.579 119.914 -0.123 0.000 2.667 231 V HA 0.345 4.443 4.120 -0.037 0.000 0.308 231 V C -0.821 175.086 176.094 -0.312 0.000 1.048 231 V CA -0.666 61.532 62.300 -0.171 0.000 0.928 231 V CB 1.540 33.228 31.823 -0.226 0.000 1.004 231 V HN 0.659 nan 8.190 nan 0.000 0.444 232 H N 1.539 120.487 119.070 -0.204 0.000 2.806 232 H HA 0.572 5.106 4.556 -0.036 0.000 0.367 232 H C -1.543 173.649 175.328 -0.226 0.000 1.136 232 H CA -0.438 55.526 56.048 -0.141 0.000 1.178 232 H CB 1.548 31.269 29.762 -0.068 0.000 1.718 232 H HN 0.552 nan 8.280 nan 0.000 0.540 233 Y N 1.475 121.879 120.300 0.173 0.000 2.326 233 Y HA 0.475 5.003 4.550 -0.037 0.000 0.337 233 Y C -0.221 175.857 175.900 0.297 0.000 1.023 233 Y CA -0.484 57.743 58.100 0.212 0.000 1.143 233 Y CB 0.994 39.593 38.460 0.231 0.000 1.183 233 Y HN 0.253 nan 8.280 nan 0.000 0.485 234 V N 4.053 124.135 119.914 0.280 0.000 2.823 234 V HA 0.448 4.546 4.120 -0.037 0.000 0.312 234 V C -0.564 175.414 176.094 -0.194 0.000 1.072 234 V CA -1.577 60.738 62.300 0.025 0.000 0.937 234 V CB 2.210 33.853 31.823 -0.300 0.000 1.013 234 V HN 0.600 nan 8.190 nan 0.000 0.430 235 K N 2.596 122.752 120.400 -0.407 0.000 2.182 235 K HA 0.659 4.957 4.320 -0.037 0.000 0.262 235 K C -1.564 174.775 176.600 -0.436 0.000 0.957 235 K CA -0.372 55.639 56.287 -0.460 0.000 0.842 235 K CB 1.906 33.982 32.500 -0.707 0.000 1.099 235 K HN 0.432 nan 8.250 nan 0.000 0.438 236 F N 1.270 121.164 119.950 -0.094 0.000 2.450 236 F HA 0.300 4.805 4.527 -0.036 0.000 0.332 236 F C 0.447 176.190 175.800 -0.095 0.000 1.093 236 F CA -0.548 57.371 58.000 -0.135 0.000 1.003 236 F CB 1.335 40.186 39.000 -0.247 0.000 1.151 236 F HN 0.447 nan 8.300 nan 0.000 0.474 237 H N 2.277 121.340 119.070 -0.011 0.000 2.877 237 H HA 0.232 4.767 4.556 -0.035 0.000 0.347 237 H C -1.901 173.469 175.328 0.070 0.000 1.042 237 H CA -0.998 55.059 56.048 0.015 0.000 1.276 237 H CB 1.100 30.899 29.762 0.062 0.000 1.681 237 H HN 0.753 nan 8.280 nan 0.000 0.521 238 W N 5.856 127.145 121.300 -0.018 0.000 2.308 238 W HA 0.277 4.920 4.660 -0.028 0.000 0.311 238 W C -0.037 176.485 176.519 0.006 0.000 1.088 238 W CA -0.860 56.479 57.345 -0.010 0.000 1.309 238 W CB 0.961 30.284 29.460 -0.228 0.000 1.229 238 W HN 0.350 nan 8.180 nan 0.000 0.427 239 K N 2.967 123.512 120.400 0.241 0.000 2.234 239 K HA 0.274 4.572 4.320 -0.037 0.000 0.277 239 K C 0.319 177.141 176.600 0.369 0.000 1.038 239 K CA -0.368 56.007 56.287 0.147 0.000 0.888 239 K CB 1.013 33.535 32.500 0.036 0.000 1.091 239 K HN 0.326 nan 8.250 nan 0.000 0.467 240 S N 4.649 120.531 115.700 0.304 0.000 2.516 240 S HA 0.099 4.547 4.470 -0.037 0.000 0.282 240 S C 0.974 175.509 174.600 -0.109 0.000 1.286 240 S CA -0.516 57.599 58.200 -0.142 0.000 1.066 240 S CB 0.220 63.395 63.200 -0.042 0.000 0.884 240 S HN 0.677 nan 8.310 nan 0.000 0.491 241 L N 4.204 125.289 121.223 -0.230 0.000 2.612 241 L HA 0.141 4.459 4.340 -0.037 0.000 0.230 241 L C 1.416 178.227 176.870 -0.098 0.000 1.140 241 L CA 0.113 54.898 54.840 -0.092 0.000 0.896 241 L CB -0.263 41.763 42.059 -0.055 0.000 1.065 241 L HN 0.599 nan 8.230 nan 0.000 0.447 242 Q N 0.098 119.810 119.800 -0.147 0.000 2.319 242 Q HA 0.331 4.649 4.340 -0.037 0.000 0.209 242 Q C 0.971 177.062 176.000 0.151 0.000 0.884 242 Q CA 0.497 56.292 55.803 -0.013 0.000 0.938 242 Q CB 0.968 29.622 28.738 -0.139 0.000 1.098 242 Q HN 0.376 nan 8.270 nan 0.000 0.517 243 G N 0.454 109.313 108.800 0.098 0.000 2.796 243 G HA2 -0.174 3.764 3.960 -0.037 0.000 0.571 243 G HA3 -0.174 3.764 3.960 -0.037 0.000 0.571 243 G C -0.919 174.111 174.900 0.217 0.000 1.370 243 G CA -0.765 44.418 45.100 0.139 0.000 0.856 243 G HN 0.054 nan 8.290 nan 0.000 0.538 244 I N 0.437 121.114 120.570 0.178 0.000 2.392 244 I HA 0.666 4.814 4.170 -0.037 0.000 0.295 244 I C 0.447 176.632 176.117 0.114 0.000 0.985 244 I CA -0.587 60.830 61.300 0.196 0.000 1.221 244 I CB 1.504 39.611 38.000 0.178 0.000 1.366 244 I HN 0.694 nan 8.210 nan 0.000 0.467 245 K N 5.048 125.517 120.400 0.115 0.000 2.652 245 K HA 0.400 4.698 4.320 -0.037 0.000 0.249 245 K C -1.234 175.379 176.600 0.021 0.000 0.986 245 K CA -0.518 55.749 56.287 -0.033 0.000 0.867 245 K CB 1.373 33.681 32.500 -0.321 0.000 1.201 245 K HN 0.538 nan 8.250 nan 0.000 0.450 246 N N 3.362 122.071 118.700 0.014 0.000 2.443 246 N HA 0.481 5.199 4.740 -0.037 0.000 0.293 246 N C -0.724 174.782 175.510 -0.006 0.000 1.159 246 N CA -0.512 52.557 53.050 0.031 0.000 0.904 246 N CB 1.403 39.920 38.487 0.050 0.000 1.214 246 N HN 0.397 nan 8.380 nan 0.000 0.513 247 L N 0.874 122.098 121.223 0.002 0.000 2.322 247 L HA 0.346 4.664 4.340 -0.037 0.000 0.279 247 L C 0.361 177.226 176.870 -0.009 0.000 1.036 247 L CA -1.065 53.761 54.840 -0.024 0.000 0.807 247 L CB 1.070 43.101 42.059 -0.048 0.000 1.226 247 L HN 0.582 nan 8.230 nan 0.000 0.433 248 D N 1.911 122.300 120.400 -0.017 0.000 2.388 248 D HA 0.282 4.900 4.640 -0.037 0.000 0.254 248 D C -2.161 174.141 176.300 0.004 0.000 1.111 248 D CA -2.152 51.846 54.000 -0.003 0.000 0.993 248 D CB 0.562 41.357 40.800 -0.009 0.000 1.118 248 D HN 0.085 nan 8.370 nan 0.000 0.502 249 P HA -0.214 nan 4.420 nan 0.000 0.217 249 P C 1.092 178.400 177.300 0.012 0.000 1.162 249 P CA 2.005 65.123 63.100 0.030 0.000 0.901 249 P CB 0.098 31.828 31.700 0.050 0.000 0.793 250 K N -0.456 119.947 120.400 0.005 0.000 2.097 250 K HA -0.159 4.139 4.320 -0.037 0.000 0.206 250 K C 2.086 178.673 176.600 -0.021 0.000 1.049 250 K CA 1.393 57.677 56.287 -0.004 0.000 0.933 250 K CB -0.289 32.208 32.500 -0.005 0.000 0.717 250 K HN 0.277 nan 8.250 nan 0.000 0.442 251 E N 0.151 120.333 120.200 -0.031 0.000 2.208 251 E HA -0.127 4.201 4.350 -0.037 0.000 0.193 251 E C 1.908 178.462 176.600 -0.076 0.000 0.988 251 E CA 0.756 57.123 56.400 -0.055 0.000 0.828 251 E CB 0.121 29.783 29.700 -0.063 0.000 0.763 251 E HN 0.043 nan 8.360 nan 0.000 0.478 252 V N 1.495 121.375 119.914 -0.057 0.000 2.307 252 V HA -0.266 3.832 4.120 -0.037 0.000 0.245 252 V C 2.357 178.416 176.094 -0.058 0.000 1.045 252 V CA 1.952 64.212 62.300 -0.066 0.000 1.024 252 V CB -0.637 31.176 31.823 -0.017 0.000 0.651 252 V HN 0.322 nan 8.190 nan 0.000 0.449 253 A N -0.956 121.846 122.820 -0.029 0.000 1.930 253 A HA -0.289 4.009 4.320 -0.037 0.000 0.217 253 A C 2.198 179.764 177.584 -0.031 0.000 1.175 253 A CA 2.072 54.098 52.037 -0.019 0.000 0.627 253 A CB -0.496 18.502 19.000 -0.004 0.000 0.815 253 A HN 0.599 nan 8.150 nan 0.000 0.443 254 Q N -0.350 119.425 119.800 -0.041 0.000 2.020 254 Q HA -0.140 4.178 4.340 -0.037 0.000 0.202 254 Q C 1.973 177.935 176.000 -0.063 0.000 0.982 254 Q CA 2.299 58.075 55.803 -0.046 0.000 0.838 254 Q CB -0.271 28.438 28.738 -0.047 0.000 0.899 254 Q HN 0.383 nan 8.270 nan 0.000 0.423 255 V N 0.732 120.583 119.914 -0.106 0.000 2.343 255 V HA -0.288 3.810 4.120 -0.037 0.000 0.247 255 V C 2.354 178.391 176.094 -0.096 0.000 1.051 255 V CA 2.211 64.424 62.300 -0.146 0.000 1.036 255 V CB -0.734 30.899 31.823 -0.317 0.000 0.654 255 V HN 0.497 nan 8.190 nan 0.000 0.451 256 Q N 0.509 120.266 119.800 -0.072 0.000 2.124 256 Q HA -0.229 4.089 4.340 -0.037 0.000 0.202 256 Q C 2.458 178.468 176.000 0.017 0.000 0.977 256 Q CA 2.072 57.871 55.803 -0.007 0.000 0.850 256 Q CB -0.208 28.531 28.738 0.002 0.000 0.901 256 Q HN 0.796 nan 8.270 nan 0.000 0.429 257 S N 0.045 115.744 115.700 -0.001 0.000 2.392 257 S HA -0.175 4.273 4.470 -0.037 0.000 0.232 257 S C 1.482 176.093 174.600 0.018 0.000 1.041 257 S CA 1.390 59.594 58.200 0.006 0.000 1.026 257 S CB -0.079 63.118 63.200 -0.005 0.000 0.845 257 S HN 0.288 nan 8.310 nan 0.000 0.465 258 K N 0.223 120.632 120.400 0.016 0.000 2.402 258 K HA 0.349 4.647 4.320 -0.037 0.000 0.203 258 K C -0.549 176.075 176.600 0.041 0.000 1.077 258 K CA 0.121 56.423 56.287 0.025 0.000 1.051 258 K CB 0.474 32.975 32.500 0.001 0.000 0.907 258 K HN 0.398 nan 8.250 nan 0.000 0.554 259 D N 0.227 120.653 120.400 0.044 0.000 2.616 259 D HA 0.080 4.698 4.640 -0.037 0.000 0.238 259 D C -0.266 176.077 176.300 0.073 0.000 1.354 259 D CA -0.545 53.468 54.000 0.022 0.000 0.970 259 D CB 0.719 41.510 40.800 -0.015 0.000 1.369 259 D HN 0.056 nan 8.370 nan 0.000 0.585 260 Y N 1.290 121.602 120.300 0.020 0.000 2.458 260 Y HA 0.469 5.000 4.550 -0.031 0.000 0.256 260 Y C 0.262 176.191 175.900 0.048 0.000 1.159 260 Y CA -0.357 57.764 58.100 0.035 0.000 1.261 260 Y CB 0.574 39.040 38.460 0.010 0.000 1.119 260 Y HN 0.107 nan 8.280 nan 0.000 0.524 261 S N 1.352 116.785 115.700 -0.446 0.000 2.809 261 S HA 0.033 4.481 4.470 -0.037 0.000 0.248 261 S C 1.231 175.721 174.600 -0.184 0.000 1.071 261 S CA -0.344 57.654 58.200 -0.336 0.000 1.059 261 S CB -0.671 62.234 63.200 -0.492 0.000 0.923 261 S HN 0.753 nan 8.310 nan 0.000 0.516 262 H N 1.529 120.495 119.070 -0.173 0.000 2.387 262 H HA 0.018 4.551 4.556 -0.037 0.000 0.299 262 H C 1.498 176.720 175.328 -0.177 0.000 1.099 262 H CA 1.130 57.089 56.048 -0.148 0.000 1.315 262 H CB -0.416 29.275 29.762 -0.118 0.000 1.380 262 H HN 0.396 nan 8.280 nan 0.000 0.513 263 L N 0.802 121.529 121.223 -0.825 0.000 2.027 263 L HA -0.124 4.194 4.340 -0.037 0.000 0.206 263 L C 2.879 179.529 176.870 -0.368 0.000 1.074 263 L CA 1.691 56.048 54.840 -0.806 0.000 0.745 263 L CB -0.701 40.617 42.059 -1.236 0.000 0.898 263 L HN 0.284 nan 8.230 nan 0.000 0.433 264 T N -0.533 113.915 114.554 -0.177 0.000 2.674 264 T HA -0.166 4.162 4.350 -0.037 0.000 0.265 264 T C 1.776 176.445 174.700 -0.052 0.000 1.039 264 T CA 1.386 63.472 62.100 -0.024 0.000 1.150 264 T CB -0.308 68.561 68.868 0.002 0.000 0.864 264 T HN 0.264 nan 8.240 nan 0.000 0.427 265 N N 1.110 119.756 118.700 -0.090 0.000 2.037 265 N HA -0.162 4.556 4.740 -0.037 0.000 0.196 265 N C 1.788 177.270 175.510 -0.047 0.000 1.034 265 N CA 1.860 54.871 53.050 -0.066 0.000 0.861 265 N CB -0.678 37.766 38.487 -0.072 0.000 1.039 265 N HN 0.494 nan 8.380 nan 0.000 0.427 266 D N 0.252 120.614 120.400 -0.063 0.000 2.106 266 D HA -0.159 4.459 4.640 -0.037 0.000 0.191 266 D C 2.076 178.345 176.300 -0.051 0.000 0.997 266 D CA 0.955 54.930 54.000 -0.042 0.000 0.834 266 D CB -0.242 40.531 40.800 -0.045 0.000 0.956 266 D HN 0.138 nan 8.370 nan 0.000 0.448 267 L N -0.121 121.062 121.223 -0.068 0.000 2.027 267 L HA -0.041 4.277 4.340 -0.037 0.000 0.206 267 L C 2.347 179.220 176.870 0.005 0.000 1.074 267 L CA 1.290 56.107 54.840 -0.040 0.000 0.745 267 L CB -0.589 41.462 42.059 -0.013 0.000 0.898 267 L HN 0.072 nan 8.230 nan 0.000 0.433 268 V N 0.241 120.166 119.914 0.018 0.000 2.343 268 V HA -0.217 3.881 4.120 -0.037 0.000 0.247 268 V C 2.616 178.725 176.094 0.025 0.000 1.051 268 V CA 1.820 64.139 62.300 0.032 0.000 1.036 268 V CB -1.636 30.207 31.823 0.034 0.000 0.654 268 V HN 0.642 nan 8.190 nan 0.000 0.451 269 G N -0.486 108.318 108.800 0.007 0.000 2.418 269 G HA2 -0.206 3.732 3.960 -0.037 0.000 0.217 269 G HA3 -0.206 3.732 3.960 -0.037 0.000 0.217 269 G C 1.760 176.662 174.900 0.003 0.000 1.158 269 G CA 1.039 46.140 45.100 0.003 0.000 0.771 269 G HN 0.612 nan 8.290 nan 0.000 0.545 270 A N 0.600 123.420 122.820 -0.001 0.000 1.902 270 A HA 0.090 4.388 4.320 -0.037 0.000 0.217 270 A C 2.384 179.979 177.584 0.018 0.000 1.181 270 A CA 1.190 53.220 52.037 -0.012 0.000 0.623 270 A CB -0.311 18.668 19.000 -0.034 0.000 0.818 270 A HN 0.377 nan 8.150 nan 0.000 0.443 271 I N -0.871 119.752 120.570 0.089 0.000 2.353 271 I HA -0.213 3.935 4.170 -0.037 0.000 0.248 271 I C 2.418 178.645 176.117 0.183 0.000 1.119 271 I CA 1.256 62.693 61.300 0.227 0.000 1.417 271 I CB -0.168 37.951 38.000 0.198 0.000 1.078 271 I HN 0.269 nan 8.210 nan 0.000 0.421 272 K N 0.862 121.313 120.400 0.086 0.000 2.097 272 K HA -0.158 4.140 4.320 -0.037 0.000 0.206 272 K C 1.959 178.570 176.600 0.020 0.000 1.049 272 K CA 1.238 57.561 56.287 0.060 0.000 0.933 272 K CB 0.007 32.527 32.500 0.033 0.000 0.717 272 K HN 0.229 nan 8.250 nan 0.000 0.442 273 K N -0.964 119.423 120.400 -0.021 0.000 2.366 273 K HA -0.009 4.289 4.320 -0.037 0.000 0.198 273 K C 0.920 177.426 176.600 -0.157 0.000 1.044 273 K CA 0.744 56.990 56.287 -0.069 0.000 0.973 273 K CB 0.433 32.892 32.500 -0.069 0.000 0.767 273 K HN 0.372 nan 8.250 nan 0.000 0.475 274 G N 2.087 110.731 108.800 -0.261 0.000 2.144 274 G HA2 -0.204 3.734 3.960 -0.037 0.000 0.218 274 G HA3 -0.204 3.734 3.960 -0.037 0.000 0.218 274 G C -0.353 173.942 174.900 -1.007 0.000 0.988 274 G CA 0.035 44.703 45.100 -0.719 0.000 0.659 274 G HN 0.321 nan 8.290 nan 0.000 0.522 275 D N 0.872 120.954 120.400 -0.531 0.000 2.631 275 D HA 0.393 5.011 4.640 -0.037 0.000 0.227 275 D C 0.563 176.747 176.300 -0.193 0.000 1.146 275 D CA -0.669 53.128 54.000 -0.338 0.000 1.009 275 D CB -0.943 39.760 40.800 -0.163 0.000 1.057 275 D HN 0.303 nan 8.370 nan 0.000 0.509 276 F N 2.968 122.888 119.950 -0.049 0.000 2.506 276 F HA 0.207 4.730 4.527 -0.008 0.000 0.371 276 F C -1.218 174.526 175.800 -0.095 0.000 1.078 276 F CA -1.989 55.980 58.000 -0.052 0.000 1.195 276 F CB 0.384 39.370 39.000 -0.023 0.000 1.099 276 F HN 0.151 nan 8.300 nan 0.000 0.548 277 P HA 0.157 nan 4.420 nan 0.000 0.275 277 P C -1.145 176.049 177.300 -0.178 0.000 1.227 277 P CA -0.347 62.616 63.100 -0.228 0.000 0.781 277 P CB 1.122 32.612 31.700 -0.349 0.000 0.906 278 K N 2.235 122.413 120.400 -0.370 0.000 2.385 278 K HA 0.561 4.859 4.320 -0.037 0.000 0.248 278 K C -0.806 175.670 176.600 -0.207 0.000 0.955 278 K CA -0.526 55.712 56.287 -0.082 0.000 0.816 278 K CB 2.467 34.979 32.500 0.021 0.000 1.250 278 K HN 0.539 nan 8.250 nan 0.000 0.434 279 W N 1.187 122.586 121.300 0.164 0.000 2.998 279 W HA 0.230 4.865 4.660 -0.041 0.000 0.335 279 W C -0.824 175.935 176.519 0.400 0.000 1.110 279 W CA -0.645 56.868 57.345 0.280 0.000 1.230 279 W CB 2.296 31.960 29.460 0.341 0.000 1.405 279 W HN 0.456 nan 8.180 nan 0.000 0.493 280 D N 2.037 122.789 120.400 0.587 0.000 2.210 280 D HA 0.334 4.952 4.640 -0.037 0.000 0.249 280 D C -0.700 175.927 176.300 0.545 0.000 1.062 280 D CA -0.422 53.861 54.000 0.472 0.000 0.891 280 D CB 2.247 43.239 40.800 0.320 0.000 1.186 280 D HN 0.067 nan 8.370 nan 0.000 0.432 281 L N 3.490 124.953 121.223 0.399 0.000 2.275 281 L HA 0.353 4.671 4.340 -0.037 0.000 0.288 281 L C -1.537 175.355 176.870 0.037 0.000 1.046 281 L CA -0.287 54.645 54.840 0.153 0.000 0.805 281 L CB 0.355 42.392 42.059 -0.037 0.000 1.193 281 L HN 0.217 nan 8.230 nan 0.000 0.426 282 Y N 3.716 124.033 120.300 0.029 0.000 2.468 282 Y HA 0.703 5.230 4.550 -0.038 0.000 0.342 282 Y C -0.113 175.789 175.900 0.002 0.000 1.021 282 Y CA -0.740 57.392 58.100 0.053 0.000 1.079 282 Y CB 2.166 40.697 38.460 0.117 0.000 1.226 282 Y HN 0.488 nan 8.280 nan 0.000 0.460 283 V N -0.264 119.712 119.914 0.103 0.000 2.823 283 V HA 0.629 4.727 4.120 -0.037 0.000 0.312 283 V C -0.988 175.108 176.094 0.005 0.000 1.072 283 V CA -1.140 61.110 62.300 -0.084 0.000 0.937 283 V CB 1.831 33.483 31.823 -0.286 0.000 1.013 283 V HN 0.758 nan 8.190 nan 0.000 0.430 284 Q N 1.853 121.647 119.800 -0.010 0.000 2.293 284 Q HA 0.762 5.080 4.340 -0.037 0.000 0.261 284 Q C -1.210 174.935 176.000 0.242 0.000 0.960 284 Q CA -0.645 55.249 55.803 0.151 0.000 0.882 284 Q CB 2.414 31.305 28.738 0.256 0.000 1.275 284 Q HN 0.774 nan 8.270 nan 0.000 0.445 285 V N 4.020 124.071 119.914 0.229 0.000 2.680 285 V HA 0.586 4.684 4.120 -0.037 0.000 0.309 285 V C -0.486 175.723 176.094 0.192 0.000 1.052 285 V CA -0.750 61.671 62.300 0.202 0.000 0.908 285 V CB 1.797 33.652 31.823 0.053 0.000 1.001 285 V HN 0.639 nan 8.190 nan 0.000 0.431 286 L N 3.266 124.608 121.223 0.198 0.000 2.431 286 L HA 0.562 4.880 4.340 -0.037 0.000 0.266 286 L C -0.294 176.682 176.870 0.177 0.000 0.978 286 L CA -0.703 54.183 54.840 0.077 0.000 0.822 286 L CB 2.622 44.546 42.059 -0.225 0.000 1.310 286 L HN 0.545 nan 8.230 nan 0.000 0.409 287 K N 2.485 122.947 120.400 0.102 0.000 2.154 287 K HA 0.265 4.563 4.320 -0.037 0.000 0.264 287 K C -1.636 175.011 176.600 0.078 0.000 1.008 287 K CA -1.587 54.712 56.287 0.019 0.000 0.937 287 K CB 1.375 33.855 32.500 -0.032 0.000 1.002 287 K HN 0.205 nan 8.250 nan 0.000 0.469 288 P HA -0.224 nan 4.420 nan 0.000 0.216 288 P C 0.244 177.573 177.300 0.048 0.000 1.153 288 P CA 1.481 64.686 63.100 0.174 0.000 0.858 288 P CB 0.173 31.960 31.700 0.145 0.000 0.789 289 E N -0.217 119.985 120.200 0.004 0.000 2.478 289 E HA -0.118 4.210 4.350 -0.037 0.000 0.198 289 E C 1.439 178.017 176.600 -0.037 0.000 1.046 289 E CA 0.829 57.217 56.400 -0.021 0.000 0.870 289 E CB -1.191 28.491 29.700 -0.030 0.000 0.818 289 E HN 0.410 nan 8.360 nan 0.000 0.527 290 E N 0.619 120.804 120.200 -0.023 0.000 2.318 290 E HA 0.061 4.389 4.350 -0.037 0.000 0.193 290 E C 1.736 178.350 176.600 0.024 0.000 0.998 290 E CA 0.202 56.587 56.400 -0.026 0.000 0.859 290 E CB -0.107 29.601 29.700 0.013 0.000 0.812 290 E HN 0.297 nan 8.360 nan 0.000 0.492 291 L N 0.777 121.989 121.223 -0.019 0.000 2.127 291 L HA -0.179 4.139 4.340 -0.037 0.000 0.211 291 L C 2.518 179.379 176.870 -0.015 0.000 1.089 291 L CA 1.129 55.935 54.840 -0.055 0.000 0.757 291 L CB -0.590 41.353 42.059 -0.194 0.000 0.899 291 L HN 0.123 nan 8.230 nan 0.000 0.434 292 A N -0.613 122.176 122.820 -0.051 0.000 2.119 292 A HA -0.075 4.223 4.320 -0.037 0.000 0.217 292 A C 2.044 179.565 177.584 -0.105 0.000 1.153 292 A CA 0.882 52.877 52.037 -0.069 0.000 0.692 292 A CB -0.119 18.841 19.000 -0.067 0.000 0.799 292 A HN 0.165 nan 8.150 nan 0.000 0.458 293 K N -0.650 119.644 120.400 -0.177 0.000 2.426 293 K HA 0.200 4.498 4.320 -0.037 0.000 0.193 293 K C -0.397 175.902 176.600 -0.502 0.000 1.028 293 K CA -0.008 56.082 56.287 -0.329 0.000 1.047 293 K CB -0.345 31.905 32.500 -0.417 0.000 0.821 293 K HN 0.484 nan 8.250 nan 0.000 0.513 294 F N 1.190 120.945 119.950 -0.324 0.000 2.370 294 F HA 0.076 4.581 4.527 -0.036 0.000 0.319 294 F C 1.486 177.079 175.800 -0.345 0.000 1.129 294 F CA -0.372 57.359 58.000 -0.449 0.000 1.109 294 F CB 0.659 39.112 39.000 -0.911 0.000 1.262 294 F HN -0.117 nan 8.300 nan 0.000 0.534 295 D N 0.278 120.638 120.400 -0.067 0.000 2.355 295 D HA 0.024 4.642 4.640 -0.037 0.000 0.218 295 D C -0.177 176.190 176.300 0.112 0.000 1.004 295 D CA 0.793 54.817 54.000 0.039 0.000 0.880 295 D CB -0.146 40.736 40.800 0.137 0.000 0.911 295 D HN 0.243 nan 8.370 nan 0.000 0.528 296 F N -0.908 119.109 119.950 0.110 0.000 2.639 296 F HA 0.506 5.011 4.527 -0.036 0.000 0.339 296 F C -0.172 175.654 175.800 0.043 0.000 1.071 296 F CA -1.631 56.403 58.000 0.056 0.000 0.994 296 F CB 0.725 39.749 39.000 0.041 0.000 1.341 296 F HN -0.414 nan 8.300 nan 0.000 0.498 297 D N 1.744 122.262 120.400 0.198 0.000 2.316 297 D HA 0.307 4.925 4.640 -0.037 0.000 0.245 297 D C -1.915 174.492 176.300 0.178 0.000 1.171 297 D CA -2.414 51.630 54.000 0.074 0.000 0.856 297 D CB 1.679 42.530 40.800 0.085 0.000 1.090 297 D HN 0.213 nan 8.370 nan 0.000 0.476 298 P HA -0.009 nan 4.420 nan 0.000 0.226 298 P C 1.000 178.492 177.300 0.320 0.000 1.153 298 P CA 0.668 63.841 63.100 0.123 0.000 0.777 298 P CB 0.248 31.687 31.700 -0.435 0.000 0.794 299 L N -0.920 120.382 121.223 0.131 0.000 2.741 299 L HA 0.198 4.516 4.340 -0.037 0.000 0.237 299 L C 0.594 177.544 176.870 0.132 0.000 1.178 299 L CA -0.212 54.698 54.840 0.116 0.000 0.973 299 L CB -0.360 41.698 42.059 -0.002 0.000 1.255 299 L HN -0.089 nan 8.230 nan 0.000 0.498 300 D N 0.919 121.419 120.400 0.167 0.000 2.316 300 D HA 0.183 4.801 4.640 -0.037 0.000 0.245 300 D C 1.053 177.434 176.300 0.135 0.000 1.171 300 D CA -0.070 54.016 54.000 0.144 0.000 0.856 300 D CB 1.956 42.842 40.800 0.144 0.000 1.090 300 D HN 0.126 nan 8.370 nan 0.000 0.476 301 A N 3.045 125.954 122.820 0.149 0.000 2.225 301 A HA -0.094 4.204 4.320 -0.037 0.000 0.215 301 A C 1.681 179.325 177.584 0.099 0.000 1.164 301 A CA 1.539 53.652 52.037 0.128 0.000 0.710 301 A CB -0.595 18.524 19.000 0.199 0.000 0.780 301 A HN 0.646 nan 8.150 nan 0.000 0.473 302 T N -3.284 111.323 114.554 0.089 0.000 3.188 302 T HA 0.265 4.593 4.350 -0.037 0.000 0.250 302 T C 0.330 175.008 174.700 -0.037 0.000 1.077 302 T CA -0.234 61.889 62.100 0.038 0.000 0.967 302 T CB 0.009 68.901 68.868 0.040 0.000 1.006 302 T HN 0.094 nan 8.240 nan 0.000 0.552 303 K N 1.899 122.272 120.400 -0.046 0.000 2.316 303 K HA 0.564 4.862 4.320 -0.037 0.000 0.251 303 K C 0.135 176.653 176.600 -0.137 0.000 0.934 303 K CA -0.900 55.302 56.287 -0.142 0.000 0.802 303 K CB 2.661 35.078 32.500 -0.138 0.000 1.171 303 K HN 0.440 nan 8.250 nan 0.000 0.426 304 I N -2.613 117.851 120.570 -0.178 0.000 3.223 304 I HA 0.498 4.646 4.170 -0.037 0.000 0.317 304 I C -0.566 175.568 176.117 0.028 0.000 1.050 304 I CA -0.701 60.516 61.300 -0.138 0.000 1.069 304 I CB 0.828 38.757 38.000 -0.120 0.000 1.406 304 I HN 0.304 nan 8.210 nan 0.000 0.596 305 W N 2.395 123.643 121.300 -0.086 0.000 2.351 305 W HA 0.421 5.060 4.660 -0.035 0.000 0.320 305 W C -2.083 174.443 176.519 0.012 0.000 0.947 305 W CA -2.496 54.844 57.345 -0.009 0.000 1.565 305 W CB -0.134 29.313 29.460 -0.022 0.000 1.409 305 W HN 0.444 nan 8.180 nan 0.000 0.399 306 P HA -0.156 nan 4.420 nan 0.000 0.216 306 P C 0.592 177.986 177.300 0.157 0.000 1.150 306 P CA 1.858 65.041 63.100 0.138 0.000 0.837 306 P CB 0.553 32.314 31.700 0.101 0.000 0.786 307 D N -1.339 119.188 120.400 0.213 0.000 2.501 307 D HA 0.130 4.748 4.640 -0.037 0.000 0.226 307 D C -0.225 176.179 176.300 0.174 0.000 1.198 307 D CA -0.001 54.103 54.000 0.173 0.000 0.830 307 D CB 0.814 41.715 40.800 0.168 0.000 1.014 307 D HN 0.007 nan 8.370 nan 0.000 0.496 308 V N 2.831 122.868 119.914 0.206 0.000 2.407 308 V HA 0.265 4.363 4.120 -0.037 0.000 0.278 308 V C -2.000 174.196 176.094 0.171 0.000 1.037 308 V CA -1.558 60.860 62.300 0.197 0.000 0.900 308 V CB 1.515 33.496 31.823 0.263 0.000 0.983 308 V HN -0.073 nan 8.190 nan 0.000 0.459 309 P HA 0.249 nan 4.420 nan 0.000 0.272 309 P C -0.449 176.934 177.300 0.139 0.000 1.223 309 P CA -0.219 62.953 63.100 0.120 0.000 0.784 309 P CB 0.692 32.452 31.700 0.099 0.000 0.923 310 E N 0.945 121.237 120.200 0.153 0.000 2.202 310 E HA 0.392 4.720 4.350 -0.037 0.000 0.272 310 E C -0.285 176.482 176.600 0.279 0.000 0.951 310 E CA -0.928 55.605 56.400 0.222 0.000 0.813 310 E CB 1.754 31.591 29.700 0.229 0.000 1.151 310 E HN 0.336 nan 8.360 nan 0.000 0.398 311 K N 2.362 122.915 120.400 0.256 0.000 2.397 311 K HA 0.288 4.586 4.320 -0.037 0.000 0.253 311 K C -1.056 175.527 176.600 -0.028 0.000 0.932 311 K CA -0.800 55.563 56.287 0.127 0.000 0.795 311 K CB 1.594 34.115 32.500 0.035 0.000 1.159 311 K HN 0.239 nan 8.250 nan 0.000 0.424 312 K N 4.973 125.226 120.400 -0.245 0.000 2.339 312 K HA 0.165 4.463 4.320 -0.037 0.000 0.286 312 K C 0.590 177.061 176.600 -0.215 0.000 1.050 312 K CA -0.187 55.779 56.287 -0.535 0.000 0.956 312 K CB 0.385 32.543 32.500 -0.569 0.000 0.990 312 K HN 0.759 nan 8.250 nan 0.000 0.475 313 I N 0.208 120.700 120.570 -0.130 0.000 4.240 313 I HA 0.462 4.610 4.170 -0.037 0.000 0.331 313 I C 0.397 176.593 176.117 0.131 0.000 1.381 313 I CA -0.512 60.794 61.300 0.010 0.000 1.136 313 I CB 1.004 39.016 38.000 0.020 0.000 1.137 313 I HN 0.654 nan 8.210 nan 0.000 0.411 314 G N 1.009 109.874 108.800 0.109 0.000 2.313 314 G HA2 0.356 4.294 3.960 -0.037 0.000 0.296 314 G HA3 0.356 4.294 3.960 -0.037 0.000 0.296 314 G C -2.310 172.678 174.900 0.147 0.000 1.356 314 G CA -0.544 44.574 45.100 0.031 0.000 0.833 314 G HN 0.282 nan 8.290 nan 0.000 0.552 315 Q N -0.808 118.989 119.800 -0.006 0.000 2.379 315 Q HA 0.706 5.024 4.340 -0.037 0.000 0.278 315 Q C -1.350 174.834 176.000 0.306 0.000 1.068 315 Q CA -0.867 55.087 55.803 0.251 0.000 0.816 315 Q CB 2.387 31.199 28.738 0.124 0.000 1.387 315 Q HN 0.784 nan 8.270 nan 0.000 0.413 316 M N 3.609 123.515 119.600 0.510 0.000 2.383 316 M HA 0.613 5.071 4.480 -0.037 0.000 0.325 316 M C -1.983 174.485 176.300 0.280 0.000 1.092 316 M CA -0.774 54.767 55.300 0.401 0.000 0.961 316 M CB 2.042 34.805 32.600 0.272 0.000 1.672 316 M HN 0.467 nan 8.290 nan 0.000 0.438 317 V N 6.922 126.938 119.914 0.169 0.000 2.531 317 V HA 0.561 4.659 4.120 -0.037 0.000 0.301 317 V C -1.465 174.651 176.094 0.038 0.000 1.034 317 V CA -0.614 61.761 62.300 0.125 0.000 0.865 317 V CB 1.893 33.760 31.823 0.072 0.000 0.995 317 V HN 0.898 nan 8.190 nan 0.000 0.424 318 L N 7.511 128.775 121.223 0.070 0.000 2.277 318 L HA 0.572 4.890 4.340 -0.037 0.000 0.284 318 L C 0.786 177.564 176.870 -0.152 0.000 1.028 318 L CA -0.125 54.694 54.840 -0.036 0.000 0.835 318 L CB 1.036 43.130 42.059 0.057 0.000 1.215 318 L HN 0.893 nan 8.230 nan 0.000 0.425 319 N N 1.887 120.347 118.700 -0.400 0.000 2.241 319 N HA 0.154 4.872 4.740 -0.037 0.000 0.238 319 N C -0.253 174.897 175.510 -0.600 0.000 1.244 319 N CA -0.589 51.877 53.050 -0.974 0.000 0.880 319 N CB 1.060 38.654 38.487 -1.487 0.000 1.179 319 N HN 0.430 nan 8.380 nan 0.000 0.513 320 K N 0.747 120.978 120.400 -0.281 0.000 2.501 320 K HA 0.290 4.588 4.320 -0.037 0.000 0.252 320 K C -1.307 175.235 176.600 -0.097 0.000 0.934 320 K CA -0.639 55.555 56.287 -0.155 0.000 0.797 320 K CB 1.666 34.077 32.500 -0.147 0.000 1.270 320 K HN -0.047 nan 8.250 nan 0.000 0.431 321 N N 1.252 119.932 118.700 -0.033 0.000 2.463 321 N HA 0.194 4.912 4.740 -0.037 0.000 0.270 321 N C -0.119 175.392 175.510 0.001 0.000 1.205 321 N CA -0.344 52.700 53.050 -0.010 0.000 0.974 321 N CB 1.261 39.768 38.487 0.034 0.000 1.197 321 N HN 0.411 nan 8.380 nan 0.000 0.504 322 V N -1.167 118.767 119.914 0.034 0.000 3.264 322 V HA 0.196 4.294 4.120 -0.037 0.000 0.304 322 V C 0.757 176.903 176.094 0.087 0.000 1.086 322 V CA -0.134 62.213 62.300 0.079 0.000 1.090 322 V CB 0.692 32.598 31.823 0.138 0.000 1.112 322 V HN 0.474 nan 8.190 nan 0.000 0.472 323 D N 0.460 120.912 120.400 0.087 0.000 2.216 323 D HA 0.064 4.682 4.640 -0.037 0.000 0.208 323 D C 0.535 176.898 176.300 0.104 0.000 0.960 323 D CA 1.244 55.291 54.000 0.078 0.000 0.861 323 D CB 0.112 40.946 40.800 0.057 0.000 0.985 323 D HN 0.745 nan 8.370 nan 0.000 0.493 324 N N -0.502 118.275 118.700 0.128 0.000 2.478 324 N HA -0.017 4.701 4.740 -0.037 0.000 0.291 324 N C -0.195 175.449 175.510 0.223 0.000 1.090 324 N CA -0.369 52.785 53.050 0.172 0.000 0.911 324 N CB 1.248 39.822 38.487 0.145 0.000 1.546 324 N HN -0.222 nan 8.380 nan 0.000 0.500 325 F N 3.790 123.816 119.950 0.127 0.000 2.126 325 F HA -0.116 4.386 4.527 -0.041 0.000 0.299 325 F C 1.636 177.515 175.800 0.131 0.000 1.096 325 F CA 1.513 59.592 58.000 0.132 0.000 1.255 325 F CB -0.103 38.980 39.000 0.138 0.000 0.997 325 F HN 0.631 nan 8.300 nan 0.000 0.479 326 F N 0.879 120.928 119.950 0.166 0.000 2.084 326 F HA -0.177 4.327 4.527 -0.038 0.000 0.296 326 F C 2.454 178.226 175.800 -0.048 0.000 1.111 326 F CA 1.841 59.873 58.000 0.054 0.000 1.224 326 F CB -0.662 38.392 39.000 0.089 0.000 0.991 326 F HN -0.048 nan 8.300 nan 0.000 0.471 327 Q N -0.076 119.778 119.800 0.090 0.000 2.124 327 Q HA -0.188 4.130 4.340 -0.037 0.000 0.202 327 Q C 1.877 177.762 176.000 -0.191 0.000 0.977 327 Q CA 2.082 57.859 55.803 -0.042 0.000 0.850 327 Q CB -0.109 28.672 28.738 0.071 0.000 0.901 327 Q HN 0.600 nan 8.270 nan 0.000 0.429 328 E N -0.841 119.263 120.200 -0.161 0.000 2.110 328 E HA 0.007 4.335 4.350 -0.037 0.000 0.194 328 E C 2.032 178.428 176.600 -0.339 0.000 0.944 328 E CA 0.931 57.199 56.400 -0.221 0.000 0.899 328 E CB 0.165 29.872 29.700 0.012 0.000 0.907 328 E HN 0.098 nan 8.360 nan 0.000 0.473 329 T N 1.195 115.577 114.554 -0.286 0.000 2.746 329 T HA -0.161 4.167 4.350 -0.037 0.000 0.267 329 T C 1.804 176.187 174.700 -0.528 0.000 1.039 329 T CA 1.658 63.517 62.100 -0.402 0.000 1.142 329 T CB -0.119 68.230 68.868 -0.865 0.000 0.866 329 T HN 0.040 nan 8.240 nan 0.000 0.444 330 E N 1.273 121.106 120.200 -0.612 0.000 2.076 330 E HA -0.012 4.316 4.350 -0.037 0.000 0.190 330 E C 2.128 178.445 176.600 -0.472 0.000 0.979 330 E CA 1.015 57.129 56.400 -0.478 0.000 0.807 330 E CB -0.096 29.347 29.700 -0.428 0.000 0.761 330 E HN 0.466 nan 8.360 nan 0.000 0.454 331 Q N -0.225 119.238 119.800 -0.562 0.000 2.444 331 Q HA 0.092 4.410 4.340 -0.037 0.000 0.206 331 Q C 0.059 175.840 176.000 -0.365 0.000 0.948 331 Q CA -0.108 55.420 55.803 -0.459 0.000 0.946 331 Q CB 0.651 29.109 28.738 -0.468 0.000 1.027 331 Q HN 0.128 nan 8.270 nan 0.000 0.513 332 V N 0.965 120.635 119.914 -0.406 0.000 2.740 332 V HA 0.275 4.373 4.120 -0.037 0.000 0.303 332 V C -0.492 175.434 176.094 -0.279 0.000 1.054 332 V CA -0.019 62.032 62.300 -0.415 0.000 1.106 332 V CB 1.052 32.495 31.823 -0.633 0.000 0.957 332 V HN 0.196 nan 8.190 nan 0.000 0.486 333 A N 8.778 131.454 122.820 -0.240 0.000 2.328 333 A HA 0.702 5.000 4.320 -0.037 0.000 0.318 333 A C -0.389 177.100 177.584 -0.159 0.000 1.347 333 A CA -0.675 51.264 52.037 -0.163 0.000 0.842 333 A CB 0.478 19.397 19.000 -0.136 0.000 1.148 333 A HN 0.739 nan 8.150 nan 0.000 0.499 334 M N 2.093 121.618 119.600 -0.125 0.000 2.157 334 M HA 0.643 5.101 4.480 -0.037 0.000 0.354 334 M C 0.011 176.260 176.300 -0.085 0.000 1.170 334 M CA -0.162 55.051 55.300 -0.145 0.000 1.060 334 M CB 0.877 33.392 32.600 -0.143 0.000 1.615 334 M HN 0.809 nan 8.290 nan 0.000 0.460 335 A N 5.222 127.929 122.820 -0.188 0.000 2.488 335 A HA 0.735 5.033 4.320 -0.037 0.000 0.298 335 A C -2.360 175.022 177.584 -0.336 0.000 1.044 335 A CA -1.087 50.791 52.037 -0.264 0.000 0.693 335 A CB 1.468 20.414 19.000 -0.091 0.000 1.272 335 A HN 0.522 nan 8.150 nan 0.000 0.402 336 P HA -0.079 nan 4.420 nan 0.000 0.222 336 P C 1.409 178.664 177.300 -0.075 0.000 1.147 336 P CA 1.786 64.745 63.100 -0.235 0.000 0.790 336 P CB 0.280 31.817 31.700 -0.272 0.000 0.780 337 A N -1.006 121.762 122.820 -0.086 0.000 2.168 337 A HA -0.071 4.227 4.320 -0.037 0.000 0.215 337 A C 1.080 178.669 177.584 0.009 0.000 1.152 337 A CA 0.683 52.708 52.037 -0.020 0.000 0.716 337 A CB -0.982 18.007 19.000 -0.019 0.000 0.794 337 A HN 0.123 nan 8.150 nan 0.000 0.465 338 N N 1.090 119.786 118.700 -0.007 0.000 2.549 338 N HA 0.361 5.079 4.740 -0.037 0.000 0.267 338 N C -0.906 174.690 175.510 0.144 0.000 1.182 338 N CA 0.481 53.544 53.050 0.022 0.000 1.019 338 N CB 0.166 38.628 38.487 -0.041 0.000 1.380 338 N HN 0.375 nan 8.380 nan 0.000 0.505 339 L N 0.707 122.007 121.223 0.129 0.000 2.322 339 L HA 0.647 4.965 4.340 -0.037 0.000 0.269 339 L C 0.309 177.191 176.870 0.019 0.000 1.012 339 L CA -1.178 53.733 54.840 0.118 0.000 0.815 339 L CB 1.738 43.842 42.059 0.074 0.000 1.295 339 L HN 0.063 nan 8.230 nan 0.000 0.438 340 V N -1.174 118.673 119.914 -0.112 0.000 3.074 340 V HA 0.648 4.746 4.120 -0.037 0.000 0.314 340 V C -2.661 173.354 176.094 -0.131 0.000 1.117 340 V CA -2.788 59.442 62.300 -0.116 0.000 1.014 340 V CB 1.363 33.084 31.823 -0.171 0.000 1.057 340 V HN 0.497 nan 8.190 nan 0.000 0.438 341 P HA 0.312 nan 4.420 nan 0.000 0.261 341 P C 0.942 178.184 177.300 -0.096 0.000 1.183 341 P CA 1.860 64.924 63.100 -0.060 0.000 0.761 341 P CB 0.477 32.149 31.700 -0.045 0.000 0.785 342 G N 2.512 111.271 108.800 -0.069 0.000 2.238 342 G HA2 -0.172 3.766 3.960 -0.037 0.000 0.217 342 G HA3 -0.172 3.766 3.960 -0.037 0.000 0.217 342 G C -0.069 174.779 174.900 -0.088 0.000 0.996 342 G CA -0.347 44.714 45.100 -0.065 0.000 0.632 342 G HN 0.500 nan 8.290 nan 0.000 0.503 343 I N 1.097 121.578 120.570 -0.148 0.000 2.499 343 I HA 0.610 4.758 4.170 -0.037 0.000 0.288 343 I C -0.461 175.632 176.117 -0.041 0.000 1.048 343 I CA -0.720 60.486 61.300 -0.156 0.000 1.062 343 I CB 2.057 39.747 38.000 -0.516 0.000 1.238 343 I HN 0.107 nan 8.210 nan 0.000 0.426 344 E N 6.131 126.359 120.200 0.048 0.000 2.429 344 E HA 0.469 4.797 4.350 -0.037 0.000 0.276 344 E C -2.707 173.953 176.600 0.101 0.000 0.953 344 E CA -2.046 54.381 56.400 0.045 0.000 0.787 344 E CB 2.498 32.190 29.700 -0.013 0.000 1.307 344 E HN 0.233 nan 8.360 nan 0.000 0.458 345 P HA -0.010 nan 4.420 nan 0.000 0.272 345 P C -0.450 176.814 177.300 -0.061 0.000 1.223 345 P CA -0.192 62.856 63.100 -0.087 0.000 0.784 345 P CB 0.741 32.362 31.700 -0.133 0.000 0.923 346 S N 0.818 116.470 115.700 -0.080 0.000 2.694 346 S HA 0.261 4.709 4.470 -0.037 0.000 0.278 346 S C 0.714 175.324 174.600 0.017 0.000 1.152 346 S CA -0.315 57.950 58.200 0.107 0.000 1.010 346 S CB 0.358 63.698 63.200 0.235 0.000 1.104 346 S HN 0.229 nan 8.310 nan 0.000 0.547 347 E N 0.548 120.782 120.200 0.056 0.000 2.476 347 E HA 0.173 4.501 4.350 -0.037 0.000 0.191 347 E C -0.270 176.311 176.600 -0.031 0.000 1.064 347 E CA -0.000 56.398 56.400 -0.003 0.000 0.866 347 E CB -0.431 29.276 29.700 0.011 0.000 0.952 347 E HN 0.626 nan 8.360 nan 0.000 0.492 348 D N 1.262 121.637 120.400 -0.043 0.000 2.581 348 D HA -0.127 4.491 4.640 -0.037 0.000 0.238 348 D C 0.615 176.876 176.300 -0.065 0.000 1.145 348 D CA 0.375 54.355 54.000 -0.032 0.000 0.866 348 D CB 0.603 41.384 40.800 -0.032 0.000 1.151 348 D HN 0.108 nan 8.370 nan 0.000 0.500 349 R N 2.999 123.495 120.500 -0.007 0.000 2.189 349 R HA -0.106 4.212 4.340 -0.037 0.000 0.218 349 R C 1.771 178.070 176.300 -0.002 0.000 1.074 349 R CA 0.241 56.339 56.100 -0.004 0.000 0.991 349 R CB -0.006 30.311 30.300 0.029 0.000 0.883 349 R HN 0.393 nan 8.270 nan 0.000 0.457 350 L N 0.604 121.839 121.223 0.020 0.000 2.044 350 L HA -0.088 4.230 4.340 -0.037 0.000 0.205 350 L C 1.995 178.777 176.870 -0.148 0.000 1.075 350 L CA 1.346 56.211 54.840 0.040 0.000 0.747 350 L CB -0.466 41.718 42.059 0.207 0.000 0.903 350 L HN 0.091 nan 8.230 nan 0.000 0.435 351 L N -0.643 120.294 121.223 -0.477 0.000 2.083 351 L HA -0.213 4.105 4.340 -0.037 0.000 0.209 351 L C 2.460 179.129 176.870 -0.334 0.000 1.083 351 L CA 1.695 56.087 54.840 -0.746 0.000 0.752 351 L CB -0.831 40.592 42.059 -1.060 0.000 0.899 351 L HN 0.394 nan 8.230 nan 0.000 0.433 352 Q N -0.468 119.205 119.800 -0.212 0.000 2.096 352 Q HA -0.147 4.171 4.340 -0.037 0.000 0.204 352 Q C 2.094 178.066 176.000 -0.045 0.000 0.982 352 Q CA 1.631 57.367 55.803 -0.112 0.000 0.850 352 Q CB -0.670 28.022 28.738 -0.077 0.000 0.901 352 Q HN 0.682 nan 8.270 nan 0.000 0.422 353 G N 0.906 109.688 108.800 -0.030 0.000 2.408 353 G HA2 -0.234 3.704 3.960 -0.037 0.000 0.217 353 G HA3 -0.234 3.704 3.960 -0.037 0.000 0.217 353 G C 1.500 176.445 174.900 0.074 0.000 1.150 353 G CA 0.256 45.380 45.100 0.039 0.000 0.776 353 G HN 0.262 nan 8.290 nan 0.000 0.542 354 R N -0.129 120.373 120.500 0.002 0.000 2.148 354 R HA 0.028 4.346 4.340 -0.037 0.000 0.227 354 R C 2.478 178.815 176.300 0.063 0.000 1.103 354 R CA 0.707 56.857 56.100 0.082 0.000 0.983 354 R CB -0.363 29.914 30.300 -0.039 0.000 0.874 354 R HN 0.286 nan 8.270 nan 0.000 0.451 355 V N 0.674 120.586 119.914 -0.004 0.000 2.594 355 V HA -0.231 3.867 4.120 -0.037 0.000 0.253 355 V C 1.725 177.873 176.094 0.090 0.000 1.069 355 V CA 1.623 63.924 62.300 0.002 0.000 1.082 355 V CB -0.461 31.348 31.823 -0.024 0.000 0.680 355 V HN 0.235 nan 8.190 nan 0.000 0.469 356 F N 0.296 120.251 119.950 0.008 0.000 2.274 356 F HA 0.027 4.532 4.527 -0.036 0.000 0.288 356 F C 2.650 178.481 175.800 0.052 0.000 1.069 356 F CA 1.485 59.498 58.000 0.021 0.000 1.343 356 F CB -0.393 38.609 39.000 0.004 0.000 1.089 356 F HN 0.034 nan 8.300 nan 0.000 0.517 357 S N -0.546 115.126 115.700 -0.046 0.000 2.383 357 S HA -0.232 4.216 4.470 -0.037 0.000 0.229 357 S C 2.060 176.530 174.600 -0.216 0.000 1.030 357 S CA 1.752 59.850 58.200 -0.170 0.000 1.002 357 S CB -0.746 62.437 63.200 -0.029 0.000 0.829 357 S HN 0.551 nan 8.310 nan 0.000 0.467 358 Y N 1.321 121.493 120.300 -0.214 0.000 2.133 358 Y HA 0.021 4.548 4.550 -0.037 0.000 0.287 358 Y C 2.888 178.673 175.900 -0.192 0.000 1.134 358 Y CA 0.828 58.823 58.100 -0.175 0.000 1.133 358 Y CB -0.714 37.655 38.460 -0.152 0.000 0.987 358 Y HN 0.367 nan 8.280 nan 0.000 0.502 359 A N 0.089 122.881 122.820 -0.047 0.000 1.908 359 A HA -0.273 4.025 4.320 -0.037 0.000 0.218 359 A C 1.772 179.243 177.584 -0.188 0.000 1.181 359 A CA 2.164 54.135 52.037 -0.110 0.000 0.627 359 A CB -0.954 17.980 19.000 -0.110 0.000 0.818 359 A HN 0.517 nan 8.150 nan 0.000 0.445 360 D N -1.389 118.782 120.400 -0.382 0.000 2.084 360 D HA -0.148 4.470 4.640 -0.037 0.000 0.194 360 D C 2.021 178.218 176.300 -0.172 0.000 0.990 360 D CA 2.055 55.817 54.000 -0.397 0.000 0.826 360 D CB -0.303 39.974 40.800 -0.871 0.000 0.971 360 D HN 0.300 nan 8.370 nan 0.000 0.453 361 T N -1.136 113.325 114.554 -0.155 0.000 2.867 361 T HA -0.134 4.194 4.350 -0.037 0.000 0.268 361 T C 1.819 176.526 174.700 0.012 0.000 1.057 361 T CA 1.399 63.480 62.100 -0.032 0.000 1.136 361 T CB -0.167 68.662 68.868 -0.064 0.000 0.874 361 T HN 0.216 nan 8.240 nan 0.000 0.466 362 Q N -0.142 119.632 119.800 -0.044 0.000 2.172 362 Q HA 0.059 4.377 4.340 -0.037 0.000 0.200 362 Q C 2.426 178.406 176.000 -0.034 0.000 0.964 362 Q CA 1.060 56.834 55.803 -0.047 0.000 0.855 362 Q CB -0.125 28.576 28.738 -0.062 0.000 0.918 362 Q HN 0.441 nan 8.270 nan 0.000 0.444 363 M N -0.716 118.872 119.600 -0.019 0.000 2.149 363 M HA -0.206 4.252 4.480 -0.037 0.000 0.261 363 M C 1.958 178.288 176.300 0.050 0.000 1.064 363 M CA 1.531 56.834 55.300 0.005 0.000 1.102 363 M CB -0.565 32.040 32.600 0.009 0.000 1.369 363 M HN 0.309 nan 8.290 nan 0.000 0.408 364 Y N 0.542 120.814 120.300 -0.048 0.000 2.201 364 Y HA -0.088 4.440 4.550 -0.036 0.000 0.292 364 Y C 2.618 178.500 175.900 -0.030 0.000 1.119 364 Y CA 1.689 59.770 58.100 -0.031 0.000 1.127 364 Y CB -0.502 37.941 38.460 -0.028 0.000 1.019 364 Y HN 0.102 nan 8.280 nan 0.000 0.514 365 R N -0.060 120.327 120.500 -0.188 0.000 2.120 365 R HA -0.089 4.229 4.340 -0.037 0.000 0.234 365 R C 1.530 177.691 176.300 -0.232 0.000 1.123 365 R CA 1.999 57.923 56.100 -0.293 0.000 0.975 365 R CB -0.177 30.067 30.300 -0.093 0.000 0.866 365 R HN 0.504 nan 8.270 nan 0.000 0.446 366 L N -1.849 119.279 121.223 -0.158 0.000 2.435 366 L HA 0.410 4.728 4.340 -0.037 0.000 0.195 366 L C 0.917 177.725 176.870 -0.104 0.000 1.072 366 L CA 0.262 55.024 54.840 -0.131 0.000 0.833 366 L CB 0.426 42.414 42.059 -0.119 0.000 1.081 366 L HN 0.427 nan 8.230 nan 0.000 0.485 367 G N -1.174 107.579 108.800 -0.080 0.000 2.354 367 G HA2 0.115 4.054 3.960 -0.037 0.000 0.582 367 G HA3 0.115 4.054 3.960 -0.037 0.000 0.582 367 G C 0.213 175.096 174.900 -0.029 0.000 1.316 367 G CA -0.253 44.818 45.100 -0.047 0.000 0.995 367 G HN 0.079 nan 8.290 nan 0.000 0.573 368 A N -0.367 122.446 122.820 -0.012 0.000 1.940 368 A HA -0.028 4.270 4.320 -0.037 0.000 0.219 368 A C 1.740 179.316 177.584 -0.014 0.000 1.176 368 A CA 2.230 54.263 52.037 -0.006 0.000 0.631 368 A CB -0.308 18.694 19.000 0.003 0.000 0.814 368 A HN 0.653 nan 8.150 nan 0.000 0.446 369 N N -0.203 118.486 118.700 -0.019 0.000 2.276 369 N HA 0.063 4.781 4.740 -0.037 0.000 0.212 369 N C 1.465 176.954 175.510 -0.034 0.000 1.127 369 N CA 0.715 53.752 53.050 -0.021 0.000 0.834 369 N CB 0.158 38.637 38.487 -0.013 0.000 1.014 369 N HN 0.465 nan 8.380 nan 0.000 0.491 370 G N 0.852 109.624 108.800 -0.046 0.000 2.450 370 G HA2 -0.180 3.758 3.960 -0.037 0.000 0.220 370 G HA3 -0.180 3.758 3.960 -0.037 0.000 0.220 370 G C 1.365 176.224 174.900 -0.070 0.000 1.130 370 G CA 0.334 45.393 45.100 -0.067 0.000 0.760 370 G HN 0.299 nan 8.290 nan 0.000 0.557 371 L N 1.683 122.873 121.223 -0.055 0.000 2.610 371 L HA 0.054 4.372 4.340 -0.037 0.000 0.232 371 L C 2.537 179.383 176.870 -0.039 0.000 1.149 371 L CA 0.933 55.741 54.840 -0.052 0.000 0.872 371 L CB -0.040 41.994 42.059 -0.042 0.000 0.992 371 L HN 0.395 nan 8.230 nan 0.000 0.447 372 S N -1.046 114.633 115.700 -0.035 0.000 2.556 372 S HA 0.190 4.638 4.470 -0.037 0.000 0.216 372 S C 0.684 175.264 174.600 -0.033 0.000 0.970 372 S CA -0.442 57.743 58.200 -0.025 0.000 0.912 372 S CB -0.182 63.008 63.200 -0.017 0.000 0.790 372 S HN 0.207 nan 8.310 nan 0.000 0.504 373 L N 1.752 122.944 121.223 -0.051 0.000 2.439 373 L HA 0.264 4.582 4.340 -0.037 0.000 0.269 373 L C -1.315 175.517 176.870 -0.064 0.000 1.179 373 L CA -1.996 52.807 54.840 -0.061 0.000 0.828 373 L CB 0.329 42.331 42.059 -0.094 0.000 1.106 373 L HN -0.001 nan 8.230 nan 0.000 0.467 374 P HA -0.252 nan 4.420 nan 0.000 0.217 374 P C 1.631 178.887 177.300 -0.074 0.000 1.162 374 P CA 1.106 64.170 63.100 -0.060 0.000 0.901 374 P CB 0.185 31.853 31.700 -0.054 0.000 0.793 375 V N -0.717 119.128 119.914 -0.116 0.000 2.759 375 V HA -0.141 3.958 4.120 -0.037 0.000 0.256 375 V C 1.438 177.491 176.094 -0.069 0.000 1.080 375 V CA 1.919 64.126 62.300 -0.155 0.000 1.101 375 V CB -0.930 30.683 31.823 -0.350 0.000 0.698 375 V HN 0.113 nan 8.190 nan 0.000 0.477 376 N N -0.562 118.093 118.700 -0.076 0.000 2.282 376 N HA 0.098 4.816 4.740 -0.037 0.000 0.185 376 N C 0.554 176.077 175.510 0.021 0.000 1.099 376 N CA 0.068 53.083 53.050 -0.059 0.000 0.878 376 N CB 0.152 38.572 38.487 -0.110 0.000 0.993 376 N HN 0.612 nan 8.380 nan 0.000 0.481 377 Q N 1.904 121.730 119.800 0.044 0.000 2.364 377 Q HA 0.164 4.482 4.340 -0.037 0.000 0.267 377 Q C -2.060 174.022 176.000 0.137 0.000 0.999 377 Q CA -1.276 54.557 55.803 0.051 0.000 0.886 377 Q CB 0.551 29.299 28.738 0.015 0.000 1.243 377 Q HN 0.181 nan 8.270 nan 0.000 0.415 378 P HA 0.043 nan 4.420 nan 0.000 0.274 378 P C -0.468 176.892 177.300 0.100 0.000 1.256 378 P CA -0.278 62.904 63.100 0.136 0.000 0.795 378 P CB 0.794 32.535 31.700 0.069 0.000 1.038 379 K N -0.177 120.286 120.400 0.104 0.000 2.397 379 K HA 0.218 4.516 4.320 -0.037 0.000 0.202 379 K C 0.462 177.083 176.600 0.035 0.000 1.022 379 K CA -0.007 56.310 56.287 0.050 0.000 1.141 379 K CB -0.306 32.228 32.500 0.056 0.000 0.857 379 K HN 0.381 nan 8.250 nan 0.000 0.514 380 V N -2.875 117.060 119.914 0.035 0.000 3.113 380 V HA 0.808 4.906 4.120 -0.037 0.000 0.316 380 V C 0.052 176.153 176.094 0.012 0.000 1.125 380 V CA -1.645 60.667 62.300 0.020 0.000 1.026 380 V CB 1.542 33.376 31.823 0.019 0.000 1.080 380 V HN 0.017 nan 8.190 nan 0.000 0.444 381 A N 1.052 123.875 122.820 0.004 0.000 2.332 381 A HA 0.702 5.000 4.320 -0.037 0.000 0.258 381 A C -0.171 177.412 177.584 -0.001 0.000 1.087 381 A CA -0.399 51.638 52.037 -0.000 0.000 0.802 381 A CB 0.668 19.664 19.000 -0.005 0.000 1.042 381 A HN 1.268 nan 8.150 nan 0.000 0.489 382 V N 2.289 122.201 119.914 -0.004 0.000 2.417 382 V HA 0.384 4.482 4.120 -0.037 0.000 0.291 382 V C -0.371 175.715 176.094 -0.013 0.000 1.024 382 V CA -0.521 61.776 62.300 -0.006 0.000 0.861 382 V CB 1.356 33.177 31.823 -0.004 0.000 0.985 382 V HN 0.898 nan 8.190 nan 0.000 0.436 383 N N 4.588 123.278 118.700 -0.016 0.000 2.576 383 N HA 0.484 5.202 4.740 -0.037 0.000 0.269 383 N C -0.911 174.584 175.510 -0.025 0.000 1.058 383 N CA -0.424 52.612 53.050 -0.024 0.000 0.860 383 N CB 0.976 39.447 38.487 -0.026 0.000 1.249 383 N HN 0.906 nan 8.380 nan 0.000 0.525 384 N N -0.091 118.593 118.700 -0.028 0.000 3.378 384 N HA 0.363 5.081 4.740 -0.037 0.000 0.294 384 N C 0.208 175.701 175.510 -0.028 0.000 1.544 384 N CA -0.676 52.360 53.050 -0.024 0.000 0.872 384 N CB 0.122 38.603 38.487 -0.011 0.000 1.670 384 N HN 0.123 nan 8.380 nan 0.000 0.551 385 G N -1.326 107.465 108.800 -0.016 0.000 3.189 385 G HA2 0.085 4.023 3.960 -0.037 0.000 0.225 385 G HA3 0.085 4.023 3.960 -0.037 0.000 0.225 385 G C -0.456 174.446 174.900 0.003 0.000 1.159 385 G CA -0.275 44.818 45.100 -0.011 0.000 0.763 385 G HN 0.509 nan 8.290 nan 0.000 0.549 386 N N 1.716 120.417 118.700 0.003 0.000 2.483 386 N HA 0.268 4.987 4.740 -0.037 0.000 0.264 386 N C 0.355 175.867 175.510 0.004 0.000 1.197 386 N CA 0.337 53.392 53.050 0.008 0.000 0.927 386 N CB 0.928 39.419 38.487 0.006 0.000 1.065 386 N HN 0.680 nan 8.380 nan 0.000 0.461 387 Q N 0.254 120.059 119.800 0.009 0.000 2.707 387 Q HA 0.472 4.790 4.340 -0.037 0.000 0.307 387 Q C -1.064 174.943 176.000 0.010 0.000 0.934 387 Q CA -0.817 54.990 55.803 0.007 0.000 0.753 387 Q CB 1.436 30.180 28.738 0.009 0.000 1.478 387 Q HN 0.275 nan 8.270 nan 0.000 0.458 388 D N -0.382 120.024 120.400 0.010 0.000 3.245 388 D HA -0.097 4.521 4.640 -0.037 0.000 0.196 388 D C 0.456 176.763 176.300 0.011 0.000 1.370 388 D CA 2.485 56.492 54.000 0.012 0.000 1.087 388 D CB -1.523 39.286 40.800 0.015 0.000 0.612 388 D HN 1.509 nan 8.370 nan 0.000 0.704 389 G N -1.210 107.597 108.800 0.012 0.000 2.712 389 G HA2 0.408 4.346 3.960 -0.037 0.000 0.686 389 G HA3 0.408 4.346 3.960 -0.037 0.000 0.686 389 G C -0.014 174.891 174.900 0.008 0.000 1.321 389 G CA 0.402 45.508 45.100 0.010 0.000 0.813 389 G HN 1.483 nan 8.290 nan 0.000 0.599 390 A N 0.840 123.664 122.820 0.006 0.000 2.540 390 A HA 0.621 4.919 4.320 -0.037 0.000 0.239 390 A C 1.582 179.167 177.584 0.001 0.000 1.061 390 A CA 0.910 52.949 52.037 0.004 0.000 0.758 390 A CB -0.257 18.744 19.000 0.001 0.000 0.991 390 A HN 2.227 nan 8.150 nan 0.000 0.502 391 L N 0.906 122.131 121.223 0.004 0.000 3.632 391 L HA -0.184 4.134 4.340 -0.037 0.000 0.510 391 L C 0.395 177.267 176.870 0.004 0.000 1.299 391 L CA 0.101 54.944 54.840 0.004 0.000 0.829 391 L CB -1.701 40.359 42.059 0.002 0.000 1.559 391 L HN 0.919 nan 8.230 nan 0.000 0.857 392 N N 1.187 119.892 118.700 0.008 0.000 2.411 392 N HA 0.130 4.848 4.740 -0.037 0.000 0.259 392 N C 1.118 176.636 175.510 0.014 0.000 1.103 392 N CA 0.655 53.711 53.050 0.009 0.000 0.954 392 N CB 1.153 39.647 38.487 0.012 0.000 1.085 392 N HN 0.377 nan 8.380 nan 0.000 0.485 393 T N 0.127 114.689 114.554 0.013 0.000 3.163 393 T HA 0.238 4.566 4.350 -0.037 0.000 0.252 393 T C 1.066 175.784 174.700 0.031 0.000 1.056 393 T CA -0.589 61.522 62.100 0.018 0.000 0.947 393 T CB 0.011 68.885 68.868 0.011 0.000 1.016 393 T HN 0.341 nan 8.240 nan 0.000 0.554 394 G N 0.244 109.065 108.800 0.035 0.000 2.631 394 G HA2 0.260 4.198 3.960 -0.037 0.000 0.271 394 G HA3 0.260 4.198 3.960 -0.037 0.000 0.271 394 G C -0.590 174.377 174.900 0.112 0.000 1.302 394 G CA -0.664 44.468 45.100 0.052 0.000 1.002 394 G HN 0.661 nan 8.290 nan 0.000 0.519 395 H N -0.346 118.720 119.070 -0.007 0.000 2.429 395 H HA 0.281 4.814 4.556 -0.037 0.000 0.231 395 H C -0.578 174.745 175.328 -0.008 0.000 1.416 395 H CA -0.471 55.573 56.048 -0.006 0.000 1.443 395 H CB -0.029 29.729 29.762 -0.007 0.000 1.591 395 H HN 0.373 nan 8.280 nan 0.000 0.507 396 T N 1.519 115.957 114.554 -0.192 0.000 2.897 396 T HA 0.086 4.414 4.350 -0.037 0.000 0.294 396 T C 1.448 175.978 174.700 -0.284 0.000 1.004 396 T CA 0.161 62.127 62.100 -0.223 0.000 1.106 396 T CB 1.602 70.415 68.868 -0.093 0.000 0.949 396 T HN 0.672 nan 8.240 nan 0.000 0.520 397 T N -1.620 112.780 114.554 -0.256 0.000 2.954 397 T HA 0.227 4.555 4.350 -0.037 0.000 0.252 397 T C 1.103 175.745 174.700 -0.096 0.000 0.983 397 T CA -0.256 61.741 62.100 -0.173 0.000 0.941 397 T CB 0.220 68.982 68.868 -0.177 0.000 1.141 397 T HN 0.458 nan 8.240 nan 0.000 0.500 398 S N 0.422 116.064 115.700 -0.098 0.000 2.593 398 S HA 0.518 4.966 4.470 -0.037 0.000 0.269 398 S C 1.469 176.037 174.600 -0.055 0.000 1.334 398 S CA 0.029 58.184 58.200 -0.075 0.000 1.015 398 S CB 0.656 63.800 63.200 -0.094 0.000 0.912 398 S HN 0.528 nan 8.310 nan 0.000 0.541 399 G N 1.553 110.329 108.800 -0.038 0.000 3.042 399 G HA2 0.223 4.161 3.960 -0.037 0.000 0.212 399 G HA3 0.223 4.161 3.960 -0.037 0.000 0.212 399 G C -0.192 174.697 174.900 -0.018 0.000 1.166 399 G CA -0.085 45.015 45.100 -0.000 0.000 0.767 399 G HN 0.613 nan 8.290 nan 0.000 0.546 400 V N 2.870 122.697 119.914 -0.145 0.000 2.270 400 V HA 0.160 4.258 4.120 -0.037 0.000 0.263 400 V C 0.034 175.918 176.094 -0.351 0.000 1.066 400 V CA -0.739 61.308 62.300 -0.422 0.000 0.857 400 V CB 0.457 31.982 31.823 -0.496 0.000 1.099 400 V HN 0.454 nan 8.190 nan 0.000 0.476 401 N N 2.896 121.456 118.700 -0.234 0.000 2.275 401 N HA 0.125 4.843 4.740 -0.037 0.000 0.236 401 N C -0.447 175.065 175.510 0.003 0.000 1.154 401 N CA -0.390 52.612 53.050 -0.080 0.000 0.866 401 N CB 0.168 38.665 38.487 0.017 0.000 1.093 401 N HN 0.624 nan 8.380 nan 0.000 0.515 402 Y N -2.442 117.853 120.300 -0.008 0.000 2.576 402 Y HA 0.829 5.357 4.550 -0.036 0.000 0.346 402 Y C -0.663 175.233 175.900 -0.007 0.000 1.018 402 Y CA -1.393 56.703 58.100 -0.006 0.000 1.050 402 Y CB 1.417 39.875 38.460 -0.005 0.000 1.280 402 Y HN -0.137 nan 8.280 nan 0.000 0.474 403 E N 2.751 123.051 120.200 0.167 0.000 2.290 403 E HA 0.439 4.767 4.350 -0.037 0.000 0.274 403 E C -2.885 173.785 176.600 0.118 0.000 0.889 403 E CA -1.828 54.627 56.400 0.092 0.000 0.760 403 E CB 2.278 31.992 29.700 0.023 0.000 1.206 403 E HN 0.815 nan 8.360 nan 0.000 0.419 404 P HA 0.418 nan 4.420 nan 0.000 0.278 404 P C -0.978 176.422 177.300 0.167 0.000 1.258 404 P CA -0.564 62.591 63.100 0.092 0.000 0.811 404 P CB 1.180 32.913 31.700 0.055 0.000 1.063 405 S N -0.489 115.264 115.700 0.090 0.000 2.536 405 S HA 0.368 4.816 4.470 -0.037 0.000 0.271 405 S C 0.540 175.170 174.600 0.050 0.000 1.134 405 S CA -0.883 57.387 58.200 0.117 0.000 0.897 405 S CB 1.294 64.458 63.200 -0.060 0.000 1.094 405 S HN 0.607 nan 8.310 nan 0.000 0.473 406 R N 3.496 124.032 120.500 0.060 0.000 2.317 406 R HA 0.326 4.644 4.340 -0.037 0.000 0.208 406 R C 0.728 177.038 176.300 0.016 0.000 0.914 406 R CA 0.300 56.417 56.100 0.029 0.000 1.060 406 R CB -0.392 29.925 30.300 0.029 0.000 1.015 406 R HN 0.588 nan 8.270 nan 0.000 0.498 407 L N 0.315 121.547 121.223 0.015 0.000 2.200 407 L HA 0.172 4.491 4.340 -0.037 0.000 0.200 407 L C 0.449 177.300 176.870 -0.031 0.000 1.072 407 L CA 0.871 55.710 54.840 -0.002 0.000 0.787 407 L CB 0.155 42.222 42.059 0.013 0.000 0.957 407 L HN 0.173 nan 8.230 nan 0.000 0.459 408 E N 0.767 120.929 120.200 -0.063 0.000 3.386 408 E HA 0.231 4.559 4.350 -0.037 0.000 0.236 408 E C -2.417 174.129 176.600 -0.090 0.000 1.227 408 E CA -1.665 54.685 56.400 -0.084 0.000 0.970 408 E CB 1.110 30.738 29.700 -0.120 0.000 1.343 408 E HN 0.064 nan 8.360 nan 0.000 0.397 409 P HA 0.060 nan 4.420 nan 0.000 0.269 409 P C -0.475 176.796 177.300 -0.049 0.000 1.215 409 P CA -0.182 62.892 63.100 -0.044 0.000 0.780 409 P CB 0.743 32.428 31.700 -0.024 0.000 0.898 410 R N 1.961 122.435 120.500 -0.044 0.000 2.639 410 R HA 0.302 4.620 4.340 -0.037 0.000 0.273 410 R C -2.117 174.165 176.300 -0.029 0.000 1.732 410 R CA -1.450 54.626 56.100 -0.040 0.000 1.586 410 R CB 0.791 31.063 30.300 -0.046 0.000 1.263 410 R HN 0.466 nan 8.270 nan 0.000 0.615 411 P HA 0.107 nan 4.420 nan 0.000 0.269 411 P C -0.282 177.001 177.300 -0.028 0.000 1.209 411 P CA -0.117 62.969 63.100 -0.024 0.000 0.776 411 P CB 1.047 32.734 31.700 -0.022 0.000 0.876 412 A N 1.703 124.504 122.820 -0.032 0.000 2.246 412 A HA 0.351 4.649 4.320 -0.037 0.000 0.291 412 A C -0.050 177.509 177.584 -0.042 0.000 1.103 412 A CA -0.279 51.733 52.037 -0.042 0.000 0.844 412 A CB 0.077 19.045 19.000 -0.053 0.000 1.136 412 A HN 0.556 nan 8.150 nan 0.000 0.500 413 D N -0.675 119.695 120.400 -0.049 0.000 2.453 413 D HA 0.259 4.877 4.640 -0.037 0.000 0.238 413 D C -0.031 176.237 176.300 -0.053 0.000 1.088 413 D CA -0.383 53.591 54.000 -0.044 0.000 0.854 413 D CB 0.943 41.719 40.800 -0.039 0.000 1.076 413 D HN 0.364 nan 8.370 nan 0.000 0.533 414 D N 2.433 122.805 120.400 -0.047 0.000 2.190 414 D HA -0.167 4.451 4.640 -0.037 0.000 0.200 414 D C 1.479 177.751 176.300 -0.046 0.000 0.992 414 D CA 0.935 54.906 54.000 -0.048 0.000 0.854 414 D CB 0.469 41.248 40.800 -0.035 0.000 0.936 414 D HN 0.402 nan 8.370 nan 0.000 0.462 415 K N 0.491 120.869 120.400 -0.038 0.000 2.280 415 K HA -0.019 4.279 4.320 -0.037 0.000 0.202 415 K C 1.576 178.154 176.600 -0.036 0.000 1.047 415 K CA 0.601 56.869 56.287 -0.031 0.000 0.942 415 K CB -0.308 32.177 32.500 -0.025 0.000 0.739 415 K HN 0.087 nan 8.250 nan 0.000 0.457 416 A N 1.275 124.064 122.820 -0.051 0.000 2.345 416 A HA 0.086 4.384 4.320 -0.037 0.000 0.225 416 A C 0.470 177.991 177.584 -0.104 0.000 1.243 416 A CA -0.266 51.736 52.037 -0.058 0.000 0.875 416 A CB -0.140 18.823 19.000 -0.061 0.000 0.929 416 A HN 0.117 nan 8.150 nan 0.000 0.502 417 R N -0.387 120.044 120.500 -0.116 0.000 2.679 417 R HA 0.199 4.517 4.340 -0.037 0.000 0.268 417 R C -0.807 175.439 176.300 -0.089 0.000 1.044 417 R CA 0.141 56.134 56.100 -0.179 0.000 1.105 417 R CB 0.163 30.398 30.300 -0.108 0.000 0.989 417 R HN 0.542 nan 8.270 nan 0.000 0.447 418 Y N 0.405 120.698 120.300 -0.012 0.000 2.457 418 Y HA -0.050 4.478 4.550 -0.037 0.000 0.341 418 Y C 1.419 177.310 175.900 -0.015 0.000 1.240 418 Y CA -0.519 57.573 58.100 -0.013 0.000 1.437 418 Y CB 0.496 38.952 38.460 -0.007 0.000 1.328 418 Y HN 0.620 nan 8.280 nan 0.000 0.588 419 S N 0.812 116.600 115.700 0.146 0.000 2.584 419 S HA 0.126 4.574 4.470 -0.037 0.000 0.270 419 S C -0.591 174.047 174.600 0.064 0.000 1.346 419 S CA -0.910 57.328 58.200 0.063 0.000 1.018 419 S CB 0.659 63.870 63.200 0.017 0.000 0.899 419 S HN 0.642 nan 8.310 nan 0.000 0.542 420 E N 0.530 120.752 120.200 0.037 0.000 2.113 420 E HA 0.435 4.763 4.350 -0.037 0.000 0.273 420 E C -1.123 175.492 176.600 0.024 0.000 0.924 420 E CA -0.595 55.825 56.400 0.034 0.000 0.764 420 E CB 1.535 31.250 29.700 0.026 0.000 1.104 420 E HN 0.533 nan 8.360 nan 0.000 0.406 421 L N 5.128 126.368 121.223 0.028 0.000 2.282 421 L HA 0.455 4.773 4.340 -0.037 0.000 0.288 421 L C -2.419 174.466 176.870 0.025 0.000 1.033 421 L CA -1.725 53.133 54.840 0.031 0.000 0.807 421 L CB 0.696 42.779 42.059 0.041 0.000 1.209 421 L HN 0.302 nan 8.230 nan 0.000 0.423 422 P HA 0.276 nan 4.420 nan 0.000 0.268 422 P C -1.154 176.154 177.300 0.014 0.000 1.204 422 P CA 0.086 63.195 63.100 0.015 0.000 0.768 422 P CB 0.527 32.233 31.700 0.011 0.000 0.842 423 L N 1.536 122.765 121.223 0.010 0.000 2.303 423 L HA 0.775 5.093 4.340 -0.037 0.000 0.266 423 L C 0.444 177.316 176.870 0.004 0.000 1.011 423 L CA -0.485 54.360 54.840 0.008 0.000 0.818 423 L CB 2.039 44.103 42.059 0.008 0.000 1.326 423 L HN 0.566 nan 8.230 nan 0.000 0.435 424 S N -0.543 115.158 115.700 0.002 0.000 2.636 424 S HA 0.879 5.327 4.470 -0.037 0.000 0.268 424 S C -0.255 174.345 174.600 0.000 0.000 1.159 424 S CA -0.099 58.101 58.200 0.000 0.000 0.815 424 S CB 1.353 64.552 63.200 -0.001 0.000 1.130 424 S HN 1.458 nan 8.310 nan 0.000 0.471 425 G N 0.636 109.436 108.800 -0.000 0.000 2.498 425 G HA2 0.219 4.157 3.960 -0.037 0.000 0.251 425 G HA3 0.219 4.157 3.960 -0.037 0.000 0.251 425 G C 0.073 174.973 174.900 0.000 0.000 1.170 425 G CA 0.730 45.830 45.100 -0.000 0.000 0.944 425 G HN 2.542 nan 8.290 nan 0.000 0.567 426 T N -3.071 111.483 114.554 0.001 0.000 2.841 426 T HA 0.748 5.076 4.350 -0.037 0.000 0.296 426 T C 0.292 174.992 174.700 0.000 0.000 1.166 426 T CA 0.731 62.831 62.100 0.001 0.000 1.007 426 T CB 1.251 70.119 68.868 0.001 0.000 1.253 426 T HN 2.215 nan 8.240 nan 0.000 0.511 427 T N 0.464 115.018 114.554 -0.000 0.000 2.940 427 T HA 0.491 4.819 4.350 -0.037 0.000 0.309 427 T C -0.135 174.565 174.700 -0.000 0.000 1.056 427 T CA -0.366 61.733 62.100 -0.001 0.000 1.137 427 T CB 0.068 68.934 68.868 -0.003 0.000 0.976 427 T HN 1.088 nan 8.240 nan 0.000 0.547 428 Q N 1.246 121.046 119.800 0.000 0.000 2.575 428 Q HA 0.468 4.786 4.340 -0.037 0.000 0.290 428 Q C -1.737 174.266 176.000 0.004 0.000 0.963 428 Q CA -1.201 54.604 55.803 0.003 0.000 0.783 428 Q CB 1.621 30.362 28.738 0.004 0.000 1.467 428 Q HN 0.658 nan 8.270 nan 0.000 0.402 429 Q N 0.206 120.011 119.800 0.007 0.000 2.674 429 Q HA 0.746 5.065 4.340 -0.037 0.000 0.249 429 Q C -1.657 174.352 176.000 0.015 0.000 1.011 429 Q CA -0.420 55.389 55.803 0.011 0.000 0.734 429 Q CB 1.990 30.734 28.738 0.010 0.000 1.201 429 Q HN 0.656 nan 8.270 nan 0.000 0.498 430 A N 1.797 124.627 122.820 0.017 0.000 2.547 430 A HA 0.567 4.865 4.320 -0.037 0.000 0.297 430 A C -1.067 176.531 177.584 0.023 0.000 1.056 430 A CA -1.129 50.919 52.037 0.019 0.000 0.688 430 A CB 1.042 20.050 19.000 0.015 0.000 1.282 430 A HN 0.562 nan 8.150 nan 0.000 0.400 431 K N 1.922 122.338 120.400 0.026 0.000 2.380 431 K HA 0.460 4.758 4.320 -0.037 0.000 0.267 431 K C 0.274 176.890 176.600 0.026 0.000 0.990 431 K CA -0.089 56.217 56.287 0.030 0.000 0.946 431 K CB 0.143 32.661 32.500 0.031 0.000 0.937 431 K HN 0.893 nan 8.250 nan 0.000 0.491 432 I N -0.459 120.129 120.570 0.030 0.000 2.892 432 I HA -0.029 4.119 4.170 -0.037 0.000 0.287 432 I C 0.996 177.127 176.117 0.024 0.000 1.205 432 I CA -0.164 61.151 61.300 0.026 0.000 1.409 432 I CB 0.853 38.873 38.000 0.034 0.000 1.367 432 I HN 0.945 nan 8.210 nan 0.000 0.597 433 T N 1.888 116.454 114.554 0.020 0.000 2.978 433 T HA 0.095 4.423 4.350 -0.037 0.000 0.262 433 T C 0.959 175.674 174.700 0.025 0.000 1.063 433 T CA 0.332 62.443 62.100 0.019 0.000 1.140 433 T CB -0.170 68.706 68.868 0.013 0.000 0.886 433 T HN 0.682 nan 8.240 nan 0.000 0.470 434 R N 1.315 121.835 120.500 0.032 0.000 2.215 434 R HA 0.433 4.751 4.340 -0.037 0.000 0.337 434 R C 0.615 176.951 176.300 0.061 0.000 1.010 434 R CA -0.182 55.947 56.100 0.049 0.000 0.871 434 R CB 1.090 31.423 30.300 0.054 0.000 1.134 434 R HN 0.412 nan 8.270 nan 0.000 0.477 435 E N 1.369 121.589 120.200 0.034 0.000 2.162 435 E HA -0.090 4.238 4.350 -0.037 0.000 0.193 435 E C -0.115 176.469 176.600 -0.026 0.000 0.953 435 E CA -0.022 56.377 56.400 -0.002 0.000 0.849 435 E CB 0.368 30.039 29.700 -0.049 0.000 0.810 435 E HN 0.494 nan 8.360 nan 0.000 0.470 436 Q N 1.358 121.147 119.800 -0.019 0.000 2.426 436 Q HA -0.218 4.100 4.340 -0.037 0.000 0.359 436 Q C -0.155 175.741 176.000 -0.175 0.000 1.381 436 Q CA -0.127 55.657 55.803 -0.031 0.000 1.060 436 Q CB -0.754 28.029 28.738 0.075 0.000 1.253 436 Q HN 0.219 nan 8.270 nan 0.000 0.363 437 N N -0.240 118.202 118.700 -0.430 0.000 2.463 437 N HA -0.014 4.704 4.740 -0.037 0.000 0.181 437 N C 0.506 175.565 175.510 -0.753 0.000 1.078 437 N CA 0.986 53.621 53.050 -0.691 0.000 0.902 437 N CB 0.101 37.984 38.487 -1.007 0.000 0.970 437 N HN 0.474 nan 8.380 nan 0.000 0.451 438 F N 0.221 120.170 119.950 -0.003 0.000 2.680 438 F HA 0.296 4.801 4.527 -0.037 0.000 0.290 438 F C 2.175 177.985 175.800 0.018 0.000 1.114 438 F CA -0.399 57.610 58.000 0.016 0.000 1.333 438 F CB 0.252 39.267 39.000 0.026 0.000 1.091 438 F HN -0.202 nan 8.300 nan 0.000 0.606 439 K N 0.997 121.479 120.400 0.137 0.000 1.991 439 K HA -0.236 4.062 4.320 -0.037 0.000 0.212 439 K C 1.921 178.544 176.600 0.037 0.000 1.049 439 K CA 1.967 58.306 56.287 0.087 0.000 0.932 439 K CB -0.178 32.360 32.500 0.063 0.000 0.717 439 K HN 0.299 nan 8.250 nan 0.000 0.441 440 Q N -0.582 119.205 119.800 -0.022 0.000 2.226 440 Q HA -0.114 4.204 4.340 -0.037 0.000 0.204 440 Q C 2.006 177.996 176.000 -0.017 0.000 0.975 440 Q CA 1.090 56.859 55.803 -0.056 0.000 0.866 440 Q CB -0.043 28.617 28.738 -0.130 0.000 0.915 440 Q HN 0.405 nan 8.270 nan 0.000 0.440 441 A N 0.801 123.647 122.820 0.044 0.000 1.933 441 A HA -0.119 4.180 4.320 -0.037 0.000 0.218 441 A C 2.226 179.879 177.584 0.115 0.000 1.175 441 A CA 1.671 53.776 52.037 0.114 0.000 0.628 441 A CB -0.969 18.164 19.000 0.222 0.000 0.814 441 A HN 0.476 nan 8.150 nan 0.000 0.444 442 G N -0.325 108.541 108.800 0.110 0.000 2.394 442 G HA2 -0.153 3.785 3.960 -0.037 0.000 0.215 442 G HA3 -0.153 3.785 3.960 -0.037 0.000 0.215 442 G C 1.074 175.996 174.900 0.037 0.000 1.165 442 G CA 1.087 46.242 45.100 0.093 0.000 0.784 442 G HN 0.443 nan 8.290 nan 0.000 0.535 443 D N 0.293 120.690 120.400 -0.005 0.000 2.149 443 D HA -0.106 4.512 4.640 -0.037 0.000 0.198 443 D C 2.336 178.554 176.300 -0.137 0.000 0.990 443 D CA 0.496 54.465 54.000 -0.051 0.000 0.839 443 D CB -0.333 40.439 40.800 -0.047 0.000 0.948 443 D HN 0.235 nan 8.370 nan 0.000 0.460 444 L N -0.131 120.990 121.223 -0.170 0.000 2.017 444 L HA -0.178 4.140 4.340 -0.037 0.000 0.208 444 L C 2.231 178.709 176.870 -0.652 0.000 1.073 444 L CA 1.514 56.135 54.840 -0.366 0.000 0.745 444 L CB -0.882 41.029 42.059 -0.247 0.000 0.894 444 L HN 0.031 nan 8.230 nan 0.000 0.432 445 Y N 0.730 120.726 120.300 -0.507 0.000 2.053 445 Y HA -0.301 4.227 4.550 -0.036 0.000 0.277 445 Y C 2.650 178.348 175.900 -0.337 0.000 1.159 445 Y CA 2.148 59.957 58.100 -0.485 0.000 1.125 445 Y CB -0.322 37.853 38.460 -0.475 0.000 0.969 445 Y HN 0.136 nan 8.280 nan 0.000 0.492 446 R N -0.075 120.303 120.500 -0.203 0.000 2.241 446 R HA -0.110 4.208 4.340 -0.037 0.000 0.224 446 R C 2.316 178.482 176.300 -0.223 0.000 1.101 446 R CA 1.155 57.140 56.100 -0.191 0.000 0.995 446 R CB -0.483 29.800 30.300 -0.028 0.000 0.870 446 R HN 0.500 nan 8.270 nan 0.000 0.463 447 S N -0.820 114.700 115.700 -0.300 0.000 2.558 447 S HA 0.004 4.452 4.470 -0.037 0.000 0.217 447 S C 0.485 174.988 174.600 -0.160 0.000 0.975 447 S CA -0.314 57.748 58.200 -0.229 0.000 0.912 447 S CB 0.012 63.060 63.200 -0.254 0.000 0.776 447 S HN 0.218 nan 8.310 nan 0.000 0.526 448 Y N 3.111 123.298 120.300 -0.187 0.000 2.299 448 Y HA 0.396 4.924 4.550 -0.037 0.000 0.326 448 Y C 1.312 177.107 175.900 -0.176 0.000 1.164 448 Y CA -0.738 57.253 58.100 -0.182 0.000 1.234 448 Y CB 1.001 39.313 38.460 -0.246 0.000 1.219 448 Y HN 0.285 nan 8.280 nan 0.000 0.497 449 S N 1.501 117.240 115.700 0.065 0.000 2.587 449 S HA 0.155 4.603 4.470 -0.037 0.000 0.260 449 S C 1.201 175.782 174.600 -0.031 0.000 1.353 449 S CA -0.281 57.918 58.200 -0.001 0.000 0.995 449 S CB 1.208 64.409 63.200 0.001 0.000 0.912 449 S HN 0.864 nan 8.310 nan 0.000 0.568 450 A N 1.496 124.297 122.820 -0.031 0.000 1.940 450 A HA -0.112 4.186 4.320 -0.037 0.000 0.219 450 A C 2.213 179.782 177.584 -0.024 0.000 1.176 450 A CA 1.823 53.842 52.037 -0.030 0.000 0.631 450 A CB -0.917 18.074 19.000 -0.014 0.000 0.814 450 A HN 0.953 nan 8.150 nan 0.000 0.446 451 K N -0.180 120.206 120.400 -0.023 0.000 2.025 451 K HA -0.173 4.126 4.320 -0.037 0.000 0.207 451 K C 1.887 178.460 176.600 -0.044 0.000 1.049 451 K CA 1.597 57.871 56.287 -0.022 0.000 0.933 451 K CB -0.224 32.263 32.500 -0.021 0.000 0.714 451 K HN 0.594 nan 8.250 nan 0.000 0.438 452 E N 0.641 120.795 120.200 -0.076 0.000 2.085 452 E HA -0.203 4.125 4.350 -0.037 0.000 0.194 452 E C 2.025 178.519 176.600 -0.177 0.000 0.994 452 E CA 1.640 57.937 56.400 -0.171 0.000 0.801 452 E CB 0.058 29.609 29.700 -0.249 0.000 0.743 452 E HN 0.294 nan 8.360 nan 0.000 0.453 453 K N -0.032 120.305 120.400 -0.105 0.000 2.097 453 K HA -0.095 4.203 4.320 -0.037 0.000 0.206 453 K C 2.283 178.919 176.600 0.062 0.000 1.049 453 K CA 1.464 57.721 56.287 -0.050 0.000 0.933 453 K CB -0.129 32.281 32.500 -0.151 0.000 0.717 453 K HN 0.036 nan 8.250 nan 0.000 0.442 454 T N 1.398 115.974 114.554 0.037 0.000 2.708 454 T HA -0.128 4.200 4.350 -0.037 0.000 0.266 454 T C 1.242 175.989 174.700 0.078 0.000 1.037 454 T CA 1.547 63.687 62.100 0.066 0.000 1.146 454 T CB -0.251 68.641 68.868 0.039 0.000 0.865 454 T HN 0.179 nan 8.240 nan 0.000 0.435 455 D N 0.939 121.367 120.400 0.046 0.000 2.097 455 D HA -0.059 4.559 4.640 -0.037 0.000 0.195 455 D C 2.072 178.444 176.300 0.120 0.000 0.989 455 D CA 0.632 54.669 54.000 0.062 0.000 0.827 455 D CB -0.581 40.229 40.800 0.017 0.000 0.966 455 D HN 0.199 nan 8.370 nan 0.000 0.456 456 L N 0.708 122.001 121.223 0.116 0.000 1.990 456 L HA -0.179 4.139 4.340 -0.037 0.000 0.213 456 L C 2.246 179.327 176.870 0.352 0.000 1.072 456 L CA 1.547 56.535 54.840 0.246 0.000 0.755 456 L CB -0.711 41.481 42.059 0.223 0.000 0.889 456 L HN -0.097 nan 8.230 nan 0.000 0.432 457 V N -0.528 119.570 119.914 0.307 0.000 2.392 457 V HA -0.315 3.783 4.120 -0.037 0.000 0.249 457 V C 2.646 178.856 176.094 0.193 0.000 1.059 457 V CA 2.027 64.490 62.300 0.271 0.000 1.051 457 V CB -0.504 31.463 31.823 0.240 0.000 0.658 457 V HN 0.648 nan 8.190 nan 0.000 0.455 458 Q N -0.193 119.709 119.800 0.170 0.000 2.137 458 Q HA -0.105 4.213 4.340 -0.037 0.000 0.198 458 Q C 2.163 178.263 176.000 0.167 0.000 0.960 458 Q CA 1.490 57.374 55.803 0.135 0.000 0.847 458 Q CB -0.059 28.742 28.738 0.106 0.000 0.915 458 Q HN 0.589 nan 8.270 nan 0.000 0.448 459 K N -0.786 119.749 120.400 0.225 0.000 2.031 459 K HA -0.089 4.209 4.320 -0.037 0.000 0.205 459 K C 1.940 178.719 176.600 0.298 0.000 1.049 459 K CA 1.251 57.715 56.287 0.293 0.000 0.939 459 K CB -0.293 32.416 32.500 0.349 0.000 0.717 459 K HN 0.186 nan 8.250 nan 0.000 0.438 460 F N 1.329 121.318 119.950 0.065 0.000 2.102 460 F HA -0.176 4.330 4.527 -0.036 0.000 0.298 460 F C 2.314 177.943 175.800 -0.286 0.000 1.105 460 F CA 1.199 58.975 58.000 -0.372 0.000 1.239 460 F CB -0.222 38.652 39.000 -0.210 0.000 0.991 460 F HN 0.109 nan 8.300 nan 0.000 0.474 461 G N -0.541 108.337 108.800 0.130 0.000 2.422 461 G HA2 -0.244 3.694 3.960 -0.037 0.000 0.218 461 G HA3 -0.244 3.694 3.960 -0.037 0.000 0.218 461 G C 1.378 176.297 174.900 0.032 0.000 1.146 461 G CA 0.871 45.978 45.100 0.012 0.000 0.769 461 G HN 0.385 nan 8.290 nan 0.000 0.547 462 E N 0.153 120.402 120.200 0.081 0.000 2.072 462 E HA -0.098 4.230 4.350 -0.037 0.000 0.191 462 E C 2.681 179.350 176.600 0.114 0.000 0.985 462 E CA 1.016 57.471 56.400 0.091 0.000 0.801 462 E CB -0.126 29.642 29.700 0.113 0.000 0.750 462 E HN 0.406 nan 8.360 nan 0.000 0.452 463 S N 0.399 116.187 115.700 0.147 0.000 2.399 463 S HA -0.069 4.379 4.470 -0.037 0.000 0.231 463 S C 1.867 176.600 174.600 0.221 0.000 1.022 463 S CA 0.663 59.009 58.200 0.242 0.000 0.983 463 S CB -0.022 63.392 63.200 0.358 0.000 0.803 463 S HN 0.199 nan 8.310 nan 0.000 0.480 464 L N 0.787 122.010 121.223 0.000 0.000 2.395 464 L HA 0.115 4.433 4.340 -0.037 0.000 0.218 464 L C 2.705 179.548 176.870 -0.045 0.000 1.130 464 L CA 0.670 55.412 54.840 -0.164 0.000 0.826 464 L CB -0.579 41.275 42.059 -0.342 0.000 0.941 464 L HN 0.423 nan 8.230 nan 0.000 0.451 465 A N 0.808 123.628 122.820 0.000 0.000 1.927 465 A HA -0.285 4.013 4.320 -0.037 0.000 0.220 465 A C 1.718 179.314 177.584 0.020 0.000 1.185 465 A CA 2.332 54.372 52.037 0.005 0.000 0.639 465 A CB -0.522 18.494 19.000 0.026 0.000 0.820 465 A HN 0.632 nan 8.150 nan 0.000 0.451 466 D N -1.515 118.919 120.400 0.056 0.000 2.388 466 D HA 0.083 4.701 4.640 -0.037 0.000 0.221 466 D C -0.012 176.331 176.300 0.071 0.000 1.133 466 D CA 0.215 54.248 54.000 0.056 0.000 0.831 466 D CB -0.825 40.012 40.800 0.062 0.000 0.962 466 D HN 0.186 nan 8.370 nan 0.000 0.502 467 T N 1.484 116.088 114.554 0.083 0.000 2.900 467 T HA 0.270 4.598 4.350 -0.037 0.000 0.307 467 T C 0.817 175.548 174.700 0.052 0.000 1.065 467 T CA -0.561 61.601 62.100 0.104 0.000 1.105 467 T CB 0.682 69.632 68.868 0.137 0.000 0.979 467 T HN 0.284 nan 8.240 nan 0.000 0.544 468 L N 1.277 122.533 121.223 0.054 0.000 2.514 468 L HA 0.167 4.485 4.340 -0.037 0.000 0.280 468 L C 1.454 178.324 176.870 0.001 0.000 1.223 468 L CA -0.165 54.691 54.840 0.027 0.000 0.864 468 L CB -0.387 41.692 42.059 0.033 0.000 1.118 468 L HN 0.552 nan 8.230 nan 0.000 0.494 469 T N 0.530 115.075 114.554 -0.014 0.000 2.699 469 T HA -0.219 4.109 4.350 -0.037 0.000 0.268 469 T C 1.510 176.177 174.700 -0.055 0.000 1.036 469 T CA 2.034 64.111 62.100 -0.038 0.000 1.147 469 T CB -0.254 68.593 68.868 -0.036 0.000 0.862 469 T HN 0.905 nan 8.240 nan 0.000 0.446 470 E N 0.671 120.843 120.200 -0.046 0.000 2.031 470 E HA -0.145 4.183 4.350 -0.037 0.000 0.193 470 E C 2.427 178.974 176.600 -0.089 0.000 0.994 470 E CA 1.397 57.758 56.400 -0.065 0.000 0.800 470 E CB -0.122 29.550 29.700 -0.046 0.000 0.752 470 E HN 0.343 nan 8.360 nan 0.000 0.447 471 S N 0.612 116.277 115.700 -0.059 0.000 2.359 471 S HA -0.195 4.253 4.470 -0.037 0.000 0.224 471 S C 1.827 176.373 174.600 -0.089 0.000 1.035 471 S CA 1.383 59.547 58.200 -0.059 0.000 1.018 471 S CB -0.270 62.954 63.200 0.040 0.000 0.876 471 S HN 0.248 nan 8.310 nan 0.000 0.448 472 K N 1.167 121.520 120.400 -0.079 0.000 2.032 472 K HA -0.127 4.171 4.320 -0.037 0.000 0.209 472 K C 1.589 178.074 176.600 -0.192 0.000 1.048 472 K CA 1.482 57.689 56.287 -0.134 0.000 0.927 472 K CB -0.188 32.247 32.500 -0.108 0.000 0.712 472 K HN 0.203 nan 8.250 nan 0.000 0.441 473 N N 0.779 119.376 118.700 -0.173 0.000 2.331 473 N HA -0.073 4.646 4.740 -0.037 0.000 0.180 473 N C 1.822 177.172 175.510 -0.267 0.000 1.019 473 N CA 0.817 53.744 53.050 -0.204 0.000 0.881 473 N CB -0.052 38.336 38.487 -0.165 0.000 0.972 473 N HN 0.278 nan 8.380 nan 0.000 0.435 474 I N 0.531 120.928 120.570 -0.288 0.000 2.286 474 I HA -0.188 3.960 4.170 -0.037 0.000 0.245 474 I C 2.111 177.806 176.117 -0.704 0.000 1.104 474 I CA 0.725 61.758 61.300 -0.444 0.000 1.397 474 I CB -0.093 37.680 38.000 -0.378 0.000 1.072 474 I HN 0.028 nan 8.210 nan 0.000 0.417 475 M N 0.234 119.545 119.600 -0.481 0.000 2.108 475 M HA -0.207 4.251 4.480 -0.037 0.000 0.261 475 M C 2.438 178.496 176.300 -0.403 0.000 1.066 475 M CA 1.942 57.007 55.300 -0.392 0.000 1.107 475 M CB -1.100 31.378 32.600 -0.203 0.000 1.356 475 M HN 0.249 nan 8.290 nan 0.000 0.406 476 L N -0.153 120.836 121.223 -0.390 0.000 2.093 476 L HA -0.195 4.123 4.340 -0.037 0.000 0.208 476 L C 2.676 179.371 176.870 -0.291 0.000 1.085 476 L CA 1.401 56.022 54.840 -0.366 0.000 0.755 476 L CB -0.765 41.109 42.059 -0.308 0.000 0.904 476 L HN 0.414 nan 8.230 nan 0.000 0.435 477 S N -0.694 114.816 115.700 -0.316 0.000 2.382 477 S HA -0.232 4.216 4.470 -0.037 0.000 0.228 477 S C 1.983 176.496 174.600 -0.145 0.000 1.027 477 S CA 1.021 59.081 58.200 -0.234 0.000 0.991 477 S CB -0.818 62.231 63.200 -0.251 0.000 0.823 477 S HN 0.491 nan 8.310 nan 0.000 0.469 478 Y N 1.647 121.843 120.300 -0.172 0.000 2.242 478 Y HA 0.047 4.575 4.550 -0.037 0.000 0.291 478 Y C 2.491 178.274 175.900 -0.195 0.000 1.137 478 Y CA 0.663 58.665 58.100 -0.164 0.000 1.181 478 Y CB -0.327 38.243 38.460 0.183 0.000 0.989 478 Y HN 0.230 nan 8.280 nan 0.000 0.527 479 L N -1.342 119.804 121.223 -0.129 0.000 2.056 479 L HA -0.243 4.075 4.340 -0.037 0.000 0.207 479 L C 2.341 179.039 176.870 -0.287 0.000 1.078 479 L CA 1.403 56.001 54.840 -0.404 0.000 0.749 479 L CB -0.807 40.695 42.059 -0.928 0.000 0.901 479 L HN 0.264 nan 8.230 nan 0.000 0.433 480 Y N 1.491 121.598 120.300 -0.323 0.000 2.181 480 Y HA -0.319 4.209 4.550 -0.036 0.000 0.288 480 Y C 2.732 178.507 175.900 -0.208 0.000 1.146 480 Y CA 1.932 59.885 58.100 -0.244 0.000 1.164 480 Y CB 0.009 38.334 38.460 -0.225 0.000 0.982 480 Y HN -0.025 nan 8.280 nan 0.000 0.515 481 K N 0.865 121.187 120.400 -0.129 0.000 2.097 481 K HA -0.166 4.132 4.320 -0.037 0.000 0.206 481 K C 2.223 178.710 176.600 -0.189 0.000 1.049 481 K CA 1.998 58.115 56.287 -0.283 0.000 0.933 481 K CB -0.598 31.410 32.500 -0.820 0.000 0.717 481 K HN 0.490 nan 8.250 nan 0.000 0.442 482 E N 0.676 120.825 120.200 -0.084 0.000 2.017 482 E HA -0.124 4.204 4.350 -0.037 0.000 0.193 482 E C 0.504 177.102 176.600 -0.003 0.000 0.997 482 E CA 1.804 58.259 56.400 0.092 0.000 0.804 482 E CB -0.353 29.478 29.700 0.218 0.000 0.757 482 E HN 0.506 nan 8.360 nan 0.000 0.448 483 D N -1.865 118.475 120.400 -0.100 0.000 2.891 483 D HA 0.209 4.827 4.640 -0.037 0.000 0.224 483 D C -2.445 173.631 176.300 -0.373 0.000 1.321 483 D CA -1.556 52.337 54.000 -0.178 0.000 0.929 483 D CB 2.121 42.853 40.800 -0.113 0.000 1.551 483 D HN -0.179 nan 8.370 nan 0.000 0.574 484 P HA -0.130 nan 4.420 nan 0.000 0.216 484 P C 1.169 178.242 177.300 -0.378 0.000 1.150 484 P CA 0.991 63.579 63.100 -0.854 0.000 0.843 484 P CB 0.252 31.549 31.700 -0.671 0.000 0.787 485 N N -1.816 116.773 118.700 -0.185 0.000 2.142 485 N HA -0.195 4.523 4.740 -0.037 0.000 0.186 485 N C 1.815 177.275 175.510 -0.083 0.000 1.023 485 N CA 0.628 53.651 53.050 -0.045 0.000 0.852 485 N CB -0.345 38.209 38.487 0.111 0.000 0.998 485 N HN -0.042 nan 8.380 nan 0.000 0.424 486 Y N 1.723 121.679 120.300 -0.573 0.000 2.070 486 Y HA -0.101 4.427 4.550 -0.036 0.000 0.280 486 Y C 2.427 178.095 175.900 -0.386 0.000 1.148 486 Y CA 1.888 59.511 58.100 -0.796 0.000 1.125 486 Y CB -1.078 36.663 38.460 -1.198 0.000 0.975 486 Y HN 0.051 nan 8.280 nan 0.000 0.492 487 G N -1.425 107.200 108.800 -0.293 0.000 2.418 487 G HA2 -0.238 3.700 3.960 -0.037 0.000 0.217 487 G HA3 -0.238 3.700 3.960 -0.037 0.000 0.217 487 G C 1.686 176.533 174.900 -0.089 0.000 1.158 487 G CA 1.529 46.483 45.100 -0.243 0.000 0.771 487 G HN 0.449 nan 8.290 nan 0.000 0.545 488 T N 0.707 115.268 114.554 0.012 0.000 2.708 488 T HA -0.079 4.249 4.350 -0.037 0.000 0.266 488 T C 2.484 177.177 174.700 -0.012 0.000 1.037 488 T CA 1.162 63.283 62.100 0.035 0.000 1.146 488 T CB -0.155 68.755 68.868 0.071 0.000 0.865 488 T HN 0.250 nan 8.240 nan 0.000 0.435 489 R N 0.426 120.925 120.500 -0.000 0.000 2.092 489 R HA -0.009 4.309 4.340 -0.037 0.000 0.231 489 R C 2.469 178.757 176.300 -0.019 0.000 1.119 489 R CA 0.887 56.999 56.100 0.021 0.000 0.970 489 R CB -0.549 29.805 30.300 0.090 0.000 0.864 489 R HN 0.262 nan 8.270 nan 0.000 0.440 490 V N 0.767 120.625 119.914 -0.093 0.000 2.548 490 V HA -0.137 3.961 4.120 -0.037 0.000 0.249 490 V C 2.405 178.396 176.094 -0.171 0.000 1.055 490 V CA 1.669 63.868 62.300 -0.169 0.000 1.065 490 V CB -0.561 31.028 31.823 -0.391 0.000 0.681 490 V HN 0.349 nan 8.190 nan 0.000 0.462 491 A N 0.365 123.086 122.820 -0.165 0.000 1.940 491 A HA -0.227 4.071 4.320 -0.037 0.000 0.219 491 A C 2.324 179.852 177.584 -0.092 0.000 1.176 491 A CA 2.377 54.328 52.037 -0.142 0.000 0.631 491 A CB -0.691 18.233 19.000 -0.127 0.000 0.814 491 A HN 0.614 nan 8.150 nan 0.000 0.446 492 E N -0.612 119.551 120.200 -0.062 0.000 2.028 492 E HA -0.049 4.279 4.350 -0.037 0.000 0.191 492 E C 2.094 178.675 176.600 -0.031 0.000 0.988 492 E CA 1.555 57.932 56.400 -0.037 0.000 0.799 492 E CB -1.238 28.452 29.700 -0.017 0.000 0.755 492 E HN 0.406 nan 8.360 nan 0.000 0.447 493 V N 1.075 120.973 119.914 -0.026 0.000 2.287 493 V HA -0.136 3.962 4.120 -0.037 0.000 0.248 493 V C 2.877 178.956 176.094 -0.025 0.000 1.053 493 V CA 1.989 64.282 62.300 -0.012 0.000 1.027 493 V CB -0.784 31.043 31.823 0.006 0.000 0.646 493 V HN 0.656 nan 8.190 nan 0.000 0.447 494 A N -1.579 121.206 122.820 -0.058 0.000 2.167 494 A HA -0.004 4.294 4.320 -0.037 0.000 0.214 494 A C 1.143 178.688 177.584 -0.064 0.000 1.151 494 A CA 0.524 52.518 52.037 -0.071 0.000 0.735 494 A CB -0.323 18.597 19.000 -0.134 0.000 0.802 494 A HN 0.597 nan 8.150 nan 0.000 0.467 495 K N -1.053 119.312 120.400 -0.059 0.000 3.162 495 K HA -0.143 4.156 4.320 -0.037 0.000 0.268 495 K C 0.485 177.045 176.600 -0.068 0.000 1.062 495 K CA 0.272 56.527 56.287 -0.052 0.000 0.769 495 K CB -2.183 30.297 32.500 -0.033 0.000 1.274 495 K HN 0.634 nan 8.250 nan 0.000 0.478 496 G N 0.610 109.355 108.800 -0.092 0.000 2.502 496 G HA2 0.286 4.224 3.960 -0.037 0.000 0.305 496 G HA3 0.286 4.224 3.960 -0.037 0.000 0.305 496 G C -0.716 174.125 174.900 -0.099 0.000 1.190 496 G CA -0.402 44.633 45.100 -0.107 0.000 0.933 496 G HN 0.230 nan 8.290 nan 0.000 0.503 497 D N 0.788 121.125 120.400 -0.104 0.000 2.393 497 D HA 0.065 4.683 4.640 -0.037 0.000 0.232 497 D C 1.507 177.733 176.300 -0.123 0.000 1.192 497 D CA -0.658 53.283 54.000 -0.098 0.000 0.882 497 D CB 1.134 41.880 40.800 -0.090 0.000 1.038 497 D HN 0.059 nan 8.370 nan 0.000 0.499 498 L N 4.126 125.281 121.223 -0.114 0.000 2.051 498 L HA -0.244 4.074 4.340 -0.037 0.000 0.214 498 L C 2.267 179.032 176.870 -0.175 0.000 1.076 498 L CA 2.414 57.171 54.840 -0.139 0.000 0.758 498 L CB -0.824 41.177 42.059 -0.096 0.000 0.890 498 L HN 0.566 nan 8.230 nan 0.000 0.433 499 S N -1.464 114.154 115.700 -0.138 0.000 2.383 499 S HA -0.220 4.228 4.470 -0.037 0.000 0.227 499 S C 2.080 176.585 174.600 -0.158 0.000 1.026 499 S CA 1.057 59.174 58.200 -0.139 0.000 0.981 499 S CB -0.464 62.679 63.200 -0.096 0.000 0.818 499 S HN 0.399 nan 8.310 nan 0.000 0.472 500 K N 1.698 122.011 120.400 -0.145 0.000 2.057 500 K HA 0.081 4.379 4.320 -0.037 0.000 0.206 500 K C 1.887 178.370 176.600 -0.195 0.000 1.050 500 K CA 1.503 57.702 56.287 -0.146 0.000 0.935 500 K CB -1.051 31.375 32.500 -0.122 0.000 0.715 500 K HN 0.277 nan 8.250 nan 0.000 0.439 501 V N 1.320 121.090 119.914 -0.240 0.000 2.287 501 V HA -0.281 3.817 4.120 -0.037 0.000 0.248 501 V C 2.183 178.014 176.094 -0.439 0.000 1.053 501 V CA 2.174 64.285 62.300 -0.316 0.000 1.027 501 V CB -0.428 31.199 31.823 -0.327 0.000 0.646 501 V HN 0.361 nan 8.190 nan 0.000 0.447 502 K N 0.635 120.724 120.400 -0.517 0.000 2.097 502 K HA -0.148 4.150 4.320 -0.037 0.000 0.206 502 K C 2.391 178.808 176.600 -0.304 0.000 1.049 502 K CA 1.703 57.642 56.287 -0.580 0.000 0.933 502 K CB -0.325 31.890 32.500 -0.474 0.000 0.717 502 K HN 0.653 nan 8.250 nan 0.000 0.442 503 S N 1.027 116.600 115.700 -0.212 0.000 2.406 503 S HA -0.064 4.384 4.470 -0.037 0.000 0.228 503 S C 2.018 176.547 174.600 -0.118 0.000 1.020 503 S CA 0.610 58.729 58.200 -0.135 0.000 0.965 503 S CB -0.399 62.739 63.200 -0.102 0.000 0.798 503 S HN 0.170 nan 8.310 nan 0.000 0.488 504 L N 1.257 122.394 121.223 -0.144 0.000 2.027 504 L HA -0.020 4.298 4.340 -0.037 0.000 0.206 504 L C 3.202 180.014 176.870 -0.096 0.000 1.074 504 L CA 1.281 56.051 54.840 -0.116 0.000 0.745 504 L CB -0.807 41.160 42.059 -0.154 0.000 0.898 504 L HN 0.484 nan 8.230 nan 0.000 0.433 505 A N -0.191 122.545 122.820 -0.140 0.000 1.972 505 A HA -0.191 4.108 4.320 -0.037 0.000 0.219 505 A C 2.471 180.028 177.584 -0.045 0.000 1.169 505 A CA 1.610 53.592 52.037 -0.092 0.000 0.635 505 A CB -0.652 18.318 19.000 -0.050 0.000 0.810 505 A HN 0.442 nan 8.150 nan 0.000 0.446 506 A N -0.546 122.242 122.820 -0.054 0.000 1.978 506 A HA -0.064 4.234 4.320 -0.037 0.000 0.220 506 A C 2.252 179.834 177.584 -0.003 0.000 1.170 506 A CA 2.000 54.025 52.037 -0.021 0.000 0.636 506 A CB -0.584 18.396 19.000 -0.034 0.000 0.810 506 A HN 0.462 nan 8.150 nan 0.000 0.448 507 S N -0.736 114.962 115.700 -0.003 0.000 2.558 507 S HA 0.287 4.735 4.470 -0.037 0.000 0.217 507 S C 0.497 175.126 174.600 0.048 0.000 0.975 507 S CA -0.243 57.968 58.200 0.019 0.000 0.912 507 S CB -0.215 62.994 63.200 0.015 0.000 0.776 507 S HN 0.431 nan 8.310 nan 0.000 0.526 508 L N 2.309 123.561 121.223 0.049 0.000 2.395 508 L HA 0.293 4.611 4.340 -0.037 0.000 0.269 508 L C 0.248 177.193 176.870 0.125 0.000 1.133 508 L CA -0.360 54.543 54.840 0.105 0.000 0.812 508 L CB 0.453 42.530 42.059 0.030 0.000 1.125 508 L HN -0.070 nan 8.230 nan 0.000 0.452 509 K N 1.976 122.491 120.400 0.192 0.000 2.159 509 K HA 0.287 4.585 4.320 -0.037 0.000 0.266 509 K C -0.529 176.221 176.600 0.250 0.000 0.975 509 K CA -0.772 55.615 56.287 0.168 0.000 0.865 509 K CB 1.237 33.809 32.500 0.121 0.000 1.087 509 K HN 0.444 nan 8.250 nan 0.000 0.446 510 D N 0.000 120.518 120.400 0.197 0.000 6.856 510 D HA 0.000 4.618 4.640 -0.037 0.000 0.175 510 D CA 0.000 54.136 54.000 0.226 0.000 0.868 510 D CB 0.000 40.885 40.800 0.141 0.000 0.688 510 D HN 0.000 nan 8.370 nan 0.000 0.683