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 1n8w_1_A DATA FIRST_RESID 5 DATA SEQUENCE VSVGNLRIAR VLYDFVNNEA LPGTDIDPDS FWAGVDKVVA DLTPQNQALL DATA SEQUENCE NARDELQAQI DKWHRRRVIE PIDMDAYRQF LTEIGYLLPE PDDFTITTSG DATA SEQUENCE VDAEITTTAG PQLVVPVLNA RFALNAANAR WGSLYDALYG TDVIPETDGA DATA SEQUENCE EKGPTYNKVR GDKVIAYARK FLDDSVPLSS GSFGDATGFT VQDGQLVVAL DATA SEQUENCE PDKSTGLANP GQFAGYTGAA ESPTSVLLIN HGLHIEILID PESQVGTTDR DATA SEQUENCE AGVKDVILES AITTIMDFED SVAAVDAADK VLGYRNWLGL NKGDLAAAVX DATA SEQUENCE XXXXAFLRVL NRDRNYTAPG GGQFTLPGRS LMFVRNVGHL MTNDAIVDTD DATA SEQUENCE GSEVFEGIMD ALFTGLIAIH GLKASDVNGP LINSRTGSIY IVKPKMHGPA DATA SEQUENCE EVAFTCELFS RVEDVLGLPQ NTMKIGIMDE ERRTTVNLKA CIKAAADRVV DATA SEQUENCE FINTGFLDRT GDEIHTSMEA GPMVRKGTMK SQPWILAYED HNVDAGLAAG DATA SEQUENCE FSGRAQVGKG MWTMTELMAD MVETKIAQPR AGASTAWVPS PTAATLHALH DATA SEQUENCE YHQVDVAAVQ QGLAGKRRAT IEQLLTIPLA KELAWAPDEI REEVDNNCQS DATA SEQUENCE ILGYVVRWVD QGVGCSKVPD IHDVALMEDR ATLRISSQLL ANWLRHGVIT DATA SEQUENCE SADVRASLER MAPLVDRQNA GDVAYRPMAP NFDDSIAFLA AQELILSGAQ DATA SEQUENCE QPNGYTEPIL HRRRREFKAR AAE 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 5 V HA 0.000 nan 4.120 nan 0.000 0.244 5 V C 0.000 175.908 176.094 -0.309 0.000 1.182 5 V CA 0.000 62.100 62.300 -0.334 0.000 1.235 5 V CB 0.000 31.442 31.823 -0.634 0.000 1.184 6 S N 3.366 118.931 115.700 -0.226 0.000 2.465 6 S HA 0.564 5.034 4.470 -0.001 0.000 0.280 6 S C -0.252 174.246 174.600 -0.170 0.000 1.232 6 S CA -0.097 58.009 58.200 -0.157 0.000 1.066 6 S CB 0.372 63.511 63.200 -0.102 0.000 0.929 6 S HN 0.604 nan 8.310 nan 0.000 0.494 7 V N 5.497 125.328 119.914 -0.137 0.000 2.482 7 V HA 0.595 4.714 4.120 -0.001 0.000 0.295 7 V C 1.171 177.259 176.094 -0.011 0.000 1.026 7 V CA -0.107 62.142 62.300 -0.084 0.000 0.856 7 V CB 0.713 32.457 31.823 -0.132 0.000 1.001 7 V HN 1.092 nan 8.190 nan 0.000 0.424 8 G N 5.072 113.880 108.800 0.013 0.000 2.752 8 G HA2 -0.438 3.521 3.960 -0.001 0.000 0.349 8 G HA3 -0.438 3.521 3.960 -0.001 0.000 0.349 8 G C 0.855 175.763 174.900 0.013 0.000 1.181 8 G CA 1.509 46.624 45.100 0.025 0.000 0.949 8 G HN 0.809 nan 8.290 nan 0.000 0.562 9 N N 0.581 119.294 118.700 0.022 0.000 2.230 9 N HA 0.376 5.116 4.740 -0.001 0.000 0.202 9 N C 0.218 175.736 175.510 0.014 0.000 1.119 9 N CA 0.086 53.146 53.050 0.017 0.000 0.851 9 N CB -0.005 38.497 38.487 0.025 0.000 0.990 9 N HN 0.531 nan 8.380 nan 0.000 0.497 10 L N -0.255 120.973 121.223 0.009 0.000 2.330 10 L HA 0.559 4.898 4.340 -0.001 0.000 0.271 10 L C 0.419 177.273 176.870 -0.028 0.000 1.013 10 L CA -1.053 53.793 54.840 0.011 0.000 0.816 10 L CB 1.652 43.739 42.059 0.046 0.000 1.287 10 L HN -0.147 nan 8.230 nan 0.000 0.435 11 R N 2.705 123.197 120.500 -0.014 0.000 2.505 11 R HA 0.431 4.770 4.340 -0.001 0.000 0.284 11 R C -1.116 175.174 176.300 -0.016 0.000 1.324 11 R CA -0.596 55.481 56.100 -0.037 0.000 1.432 11 R CB 0.035 30.321 30.300 -0.022 0.000 1.107 11 R HN 0.587 nan 8.270 nan 0.000 0.587 12 I N 3.041 123.577 120.570 -0.056 0.000 2.452 12 I HA 0.100 4.270 4.170 -0.001 0.000 0.287 12 I C 0.994 177.107 176.117 -0.008 0.000 1.079 12 I CA 0.028 61.326 61.300 -0.002 0.000 1.387 12 I CB 1.236 39.185 38.000 -0.085 0.000 1.404 12 I HN 0.441 nan 8.210 nan 0.000 0.522 13 A N 6.255 129.110 122.820 0.058 0.000 2.531 13 A HA 0.061 4.380 4.320 -0.001 0.000 0.236 13 A C 1.516 179.152 177.584 0.086 0.000 1.062 13 A CA -0.055 52.015 52.037 0.055 0.000 0.760 13 A CB 0.095 19.138 19.000 0.073 0.000 0.995 13 A HN 0.881 nan 8.150 nan 0.000 0.501 14 R N 1.817 122.353 120.500 0.059 0.000 2.120 14 R HA -0.095 4.245 4.340 -0.001 0.000 0.234 14 R C 1.847 178.240 176.300 0.154 0.000 1.123 14 R CA 1.687 57.846 56.100 0.098 0.000 0.975 14 R CB -0.375 29.954 30.300 0.049 0.000 0.866 14 R HN 0.637 nan 8.270 nan 0.000 0.446 15 V N 0.493 120.478 119.914 0.118 0.000 2.332 15 V HA -0.222 3.897 4.120 -0.001 0.000 0.248 15 V C 1.941 178.139 176.094 0.174 0.000 1.055 15 V CA 1.920 64.293 62.300 0.122 0.000 1.038 15 V CB -0.226 31.642 31.823 0.075 0.000 0.651 15 V HN 0.378 nan 8.190 nan 0.000 0.450 16 L N -1.031 120.301 121.223 0.181 0.000 2.007 16 L HA -0.099 4.241 4.340 -0.001 0.000 0.205 16 L C 2.241 179.300 176.870 0.314 0.000 1.073 16 L CA 2.322 57.294 54.840 0.220 0.000 0.744 16 L CB -1.006 41.157 42.059 0.172 0.000 0.898 16 L HN 0.450 nan 8.230 nan 0.000 0.435 17 Y N 0.849 121.246 120.300 0.160 0.000 2.102 17 Y HA -0.379 4.170 4.550 -0.001 0.000 0.280 17 Y C 2.349 178.363 175.900 0.191 0.000 1.178 17 Y CA 2.346 60.535 58.100 0.148 0.000 1.146 17 Y CB -0.391 38.039 38.460 -0.049 0.000 0.968 17 Y HN 0.377 nan 8.280 nan 0.000 0.504 18 D N -0.641 119.915 120.400 0.260 0.000 2.092 18 D HA -0.237 4.403 4.640 -0.001 0.000 0.193 18 D C 2.062 178.427 176.300 0.109 0.000 0.994 18 D CA 1.715 55.813 54.000 0.164 0.000 0.828 18 D CB -0.962 39.938 40.800 0.166 0.000 0.963 18 D HN 0.422 nan 8.370 nan 0.000 0.450 19 F N 1.720 121.697 119.950 0.045 0.000 2.091 19 F HA -0.245 4.282 4.527 -0.001 0.000 0.299 19 F C 2.111 177.897 175.800 -0.023 0.000 1.103 19 F CA 1.280 59.291 58.000 0.019 0.000 1.228 19 F CB -0.370 38.653 39.000 0.039 0.000 0.984 19 F HN -0.182 nan 8.300 nan 0.000 0.477 20 V N 0.514 120.340 119.914 -0.146 0.000 2.626 20 V HA -0.244 3.875 4.120 -0.001 0.000 0.252 20 V C 1.673 177.575 176.094 -0.321 0.000 1.067 20 V CA 2.141 64.251 62.300 -0.316 0.000 1.081 20 V CB -1.022 30.818 31.823 0.028 0.000 0.686 20 V HN 0.361 nan 8.190 nan 0.000 0.468 21 N N 0.168 118.748 118.700 -0.201 0.000 2.368 21 N HA -0.025 4.714 4.740 -0.001 0.000 0.178 21 N C 1.678 177.091 175.510 -0.161 0.000 1.021 21 N CA 0.899 53.845 53.050 -0.173 0.000 0.875 21 N CB -0.116 38.271 38.487 -0.167 0.000 1.020 21 N HN 0.440 nan 8.380 nan 0.000 0.433 22 N N 0.870 119.486 118.700 -0.141 0.000 2.132 22 N HA -0.070 4.670 4.740 -0.001 0.000 0.187 22 N C 1.380 176.784 175.510 -0.176 0.000 1.038 22 N CA 1.059 54.041 53.050 -0.114 0.000 0.846 22 N CB -0.425 38.031 38.487 -0.052 0.000 1.012 22 N HN 0.279 nan 8.380 nan 0.000 0.429 23 E N 0.670 120.712 120.200 -0.263 0.000 2.028 23 E HA 0.076 4.426 4.350 -0.001 0.000 0.190 23 E C 1.887 178.249 176.600 -0.396 0.000 0.984 23 E CA 1.202 57.409 56.400 -0.322 0.000 0.800 23 E CB -0.018 29.467 29.700 -0.358 0.000 0.758 23 E HN 0.372 nan 8.360 nan 0.000 0.448 24 A N 0.110 122.590 122.820 -0.566 0.000 1.911 24 A HA 0.056 4.376 4.320 -0.001 0.000 0.212 24 A C 2.060 179.521 177.584 -0.206 0.000 1.189 24 A CA 0.408 52.197 52.037 -0.413 0.000 0.639 24 A CB -0.347 18.275 19.000 -0.630 0.000 0.839 24 A HN 0.145 nan 8.150 nan 0.000 0.449 25 L N 0.223 121.244 121.223 -0.337 0.000 2.131 25 L HA 0.038 4.378 4.340 -0.001 0.000 0.206 25 L C -1.515 175.241 176.870 -0.190 0.000 1.087 25 L CA 0.203 54.833 54.840 -0.350 0.000 0.767 25 L CB -0.652 41.142 42.059 -0.442 0.000 0.917 25 L HN 0.214 nan 8.230 nan 0.000 0.441 26 P HA 0.043 nan 4.420 nan 0.000 0.266 26 P C 0.479 177.781 177.300 0.004 0.000 1.215 26 P CA 1.411 64.468 63.100 -0.073 0.000 0.763 26 P CB 0.887 32.539 31.700 -0.080 0.000 0.806 27 G N 3.172 111.964 108.800 -0.014 0.000 2.201 27 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.212 27 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.212 27 G C 0.722 175.583 174.900 -0.065 0.000 0.994 27 G CA 0.358 45.467 45.100 0.015 0.000 0.644 27 G HN 0.625 nan 8.290 nan 0.000 0.508 28 T N -1.566 112.904 114.554 -0.140 0.000 3.107 28 T HA 0.338 4.688 4.350 -0.001 0.000 0.249 28 T C 0.883 175.487 174.700 -0.160 0.000 1.096 28 T CA 0.966 62.926 62.100 -0.234 0.000 1.012 28 T CB 0.085 68.758 68.868 -0.324 0.000 0.977 28 T HN 0.369 nan 8.240 nan 0.000 0.527 29 D N 0.829 121.162 120.400 -0.113 0.000 2.837 29 D HA -0.126 4.513 4.640 -0.001 0.000 0.230 29 D C -0.494 175.760 176.300 -0.077 0.000 1.152 29 D CA 0.613 54.564 54.000 -0.082 0.000 0.736 29 D CB -1.693 39.065 40.800 -0.070 0.000 1.084 29 D HN 0.573 nan 8.370 nan 0.000 0.429 30 I N 0.649 121.159 120.570 -0.100 0.000 2.362 30 I HA 0.147 4.317 4.170 -0.001 0.000 0.289 30 I C 0.584 176.669 176.117 -0.055 0.000 0.994 30 I CA -0.906 60.350 61.300 -0.073 0.000 1.158 30 I CB 1.600 39.536 38.000 -0.105 0.000 1.315 30 I HN -0.239 nan 8.210 nan 0.000 0.451 31 D N 8.626 129.025 120.400 -0.002 0.000 2.412 31 D HA 0.073 4.712 4.640 -0.001 0.000 0.257 31 D C -1.601 174.742 176.300 0.073 0.000 1.217 31 D CA -1.117 52.900 54.000 0.027 0.000 0.897 31 D CB 1.174 41.999 40.800 0.042 0.000 1.132 31 D HN 0.233 nan 8.370 nan 0.000 0.493 32 P HA -0.164 nan 4.420 nan 0.000 0.216 32 P C 0.607 178.104 177.300 0.329 0.000 1.150 32 P CA 0.958 64.146 63.100 0.146 0.000 0.843 32 P CB 0.200 31.973 31.700 0.122 0.000 0.787 33 D N -1.415 119.135 120.400 0.250 0.000 2.219 33 D HA -0.052 4.588 4.640 -0.001 0.000 0.205 33 D C 1.833 178.267 176.300 0.223 0.000 0.970 33 D CA 1.109 55.264 54.000 0.258 0.000 0.851 33 D CB -0.199 40.701 40.800 0.167 0.000 0.943 33 D HN 0.186 nan 8.370 nan 0.000 0.488 34 S N 0.183 115.983 115.700 0.166 0.000 2.404 34 S HA -0.037 4.433 4.470 -0.001 0.000 0.223 34 S C 1.653 176.313 174.600 0.101 0.000 1.040 34 S CA -0.169 58.099 58.200 0.112 0.000 0.957 34 S CB -0.276 62.968 63.200 0.072 0.000 0.826 34 S HN 0.227 nan 8.310 nan 0.000 0.491 35 F N 1.767 121.689 119.950 -0.047 0.000 2.043 35 F HA -0.190 4.336 4.527 -0.001 0.000 0.297 35 F C 1.767 177.492 175.800 -0.125 0.000 1.118 35 F CA 1.536 59.429 58.000 -0.178 0.000 1.202 35 F CB -0.660 38.128 39.000 -0.353 0.000 0.965 35 F HN 0.216 nan 8.300 nan 0.000 0.482 36 W N -0.033 121.269 121.300 0.002 0.000 2.465 36 W HA 0.031 4.690 4.660 -0.001 0.000 0.268 36 W C 2.477 178.953 176.519 -0.071 0.000 1.242 36 W CA 0.904 58.210 57.345 -0.065 0.000 1.248 36 W CB -0.599 28.964 29.460 0.172 0.000 1.118 36 W HN 0.152 nan 8.180 nan 0.000 0.587 37 A N 0.404 123.322 122.820 0.164 0.000 1.897 37 A HA 0.015 4.335 4.320 -0.001 0.000 0.215 37 A C 2.228 179.813 177.584 0.001 0.000 1.181 37 A CA 1.694 53.782 52.037 0.086 0.000 0.620 37 A CB -1.400 17.647 19.000 0.079 0.000 0.821 37 A HN 0.285 nan 8.150 nan 0.000 0.443 38 G N -0.079 108.677 108.800 -0.074 0.000 2.459 38 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.217 38 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.217 38 G C 1.542 176.338 174.900 -0.174 0.000 1.183 38 G CA 1.417 46.437 45.100 -0.134 0.000 0.776 38 G HN 0.295 nan 8.290 nan 0.000 0.552 39 V N 1.565 121.304 119.914 -0.292 0.000 2.231 39 V HA -0.284 3.835 4.120 -0.001 0.000 0.250 39 V C 2.591 178.653 176.094 -0.052 0.000 1.058 39 V CA 2.552 64.708 62.300 -0.240 0.000 1.022 39 V CB -0.606 31.090 31.823 -0.212 0.000 0.640 39 V HN 0.455 nan 8.190 nan 0.000 0.445 40 D N -0.247 120.171 120.400 0.029 0.000 2.126 40 D HA -0.239 4.401 4.640 -0.001 0.000 0.190 40 D C 2.247 178.561 176.300 0.024 0.000 1.001 40 D CA 2.001 56.032 54.000 0.053 0.000 0.841 40 D CB -0.203 40.639 40.800 0.070 0.000 0.949 40 D HN 0.398 nan 8.370 nan 0.000 0.446 41 K N -0.385 120.017 120.400 0.003 0.000 2.025 41 K HA -0.082 4.237 4.320 -0.001 0.000 0.207 41 K C 2.244 178.841 176.600 -0.004 0.000 1.049 41 K CA 0.987 57.274 56.287 0.000 0.000 0.933 41 K CB -0.156 32.339 32.500 -0.008 0.000 0.714 41 K HN 0.007 nan 8.250 nan 0.000 0.438 42 V N 0.866 120.762 119.914 -0.032 0.000 2.231 42 V HA -0.289 3.831 4.120 -0.001 0.000 0.248 42 V C 2.306 178.405 176.094 0.008 0.000 1.054 42 V CA 1.841 64.120 62.300 -0.034 0.000 1.015 42 V CB -0.395 31.378 31.823 -0.083 0.000 0.638 42 V HN 0.155 nan 8.190 nan 0.000 0.444 43 V N -0.015 119.909 119.914 0.018 0.000 2.392 43 V HA -0.283 3.837 4.120 -0.001 0.000 0.249 43 V C 2.607 178.753 176.094 0.086 0.000 1.059 43 V CA 2.106 64.449 62.300 0.071 0.000 1.051 43 V CB -1.081 30.787 31.823 0.074 0.000 0.658 43 V HN 0.586 nan 8.190 nan 0.000 0.455 44 A N -0.339 122.516 122.820 0.058 0.000 1.855 44 A HA -0.212 4.108 4.320 -0.001 0.000 0.215 44 A C 2.036 179.656 177.584 0.060 0.000 1.191 44 A CA 1.770 53.841 52.037 0.056 0.000 0.613 44 A CB -0.633 18.391 19.000 0.039 0.000 0.829 44 A HN 0.508 nan 8.150 nan 0.000 0.442 45 D N -0.376 120.052 120.400 0.047 0.000 2.218 45 D HA -0.058 4.582 4.640 -0.001 0.000 0.204 45 D C 1.502 177.846 176.300 0.073 0.000 0.976 45 D CA 1.012 55.039 54.000 0.045 0.000 0.853 45 D CB -0.006 40.809 40.800 0.024 0.000 0.939 45 D HN 0.447 nan 8.370 nan 0.000 0.481 46 L N -0.500 120.785 121.223 0.104 0.000 2.817 46 L HA 0.087 4.426 4.340 -0.001 0.000 0.248 46 L C 1.977 178.986 176.870 0.233 0.000 1.133 46 L CA 0.102 55.055 54.840 0.188 0.000 0.935 46 L CB 0.466 42.617 42.059 0.153 0.000 1.266 46 L HN -0.172 nan 8.230 nan 0.000 0.535 47 T N 0.701 115.372 114.554 0.195 0.000 2.821 47 T HA -0.060 4.290 4.350 -0.001 0.000 0.267 47 T C -0.718 174.082 174.700 0.167 0.000 1.046 47 T CA 1.148 63.403 62.100 0.258 0.000 1.139 47 T CB -0.665 68.357 68.868 0.256 0.000 0.871 47 T HN 0.180 nan 8.240 nan 0.000 0.454 48 P HA -0.097 nan 4.420 nan 0.000 0.213 48 P C 1.686 178.952 177.300 -0.056 0.000 1.170 48 P CA 1.190 64.310 63.100 0.032 0.000 0.898 48 P CB -0.056 31.660 31.700 0.026 0.000 0.787 49 Q N -0.717 119.023 119.800 -0.100 0.000 2.062 49 Q HA -0.274 4.065 4.340 -0.001 0.000 0.209 49 Q C 2.253 177.873 176.000 -0.633 0.000 0.996 49 Q CA 2.134 57.758 55.803 -0.299 0.000 0.859 49 Q CB -0.703 27.906 28.738 -0.215 0.000 0.920 49 Q HN 0.260 nan 8.270 nan 0.000 0.415 50 N N -0.678 117.567 118.700 -0.759 0.000 2.094 50 N HA -0.277 4.462 4.740 -0.001 0.000 0.191 50 N C 1.802 176.937 175.510 -0.624 0.000 1.023 50 N CA 1.491 53.941 53.050 -1.000 0.000 0.857 50 N CB 0.039 37.923 38.487 -1.005 0.000 1.013 50 N HN 0.137 nan 8.380 nan 0.000 0.426 51 Q N -0.117 119.556 119.800 -0.210 0.000 2.137 51 Q HA 0.121 4.460 4.340 -0.001 0.000 0.198 51 Q C 1.854 177.801 176.000 -0.088 0.000 0.960 51 Q CA 1.297 57.104 55.803 0.006 0.000 0.847 51 Q CB -0.182 28.655 28.738 0.166 0.000 0.915 51 Q HN 0.438 nan 8.270 nan 0.000 0.448 52 A N 0.272 123.008 122.820 -0.139 0.000 1.902 52 A HA -0.157 4.162 4.320 -0.001 0.000 0.217 52 A C 1.994 179.482 177.584 -0.160 0.000 1.181 52 A CA 1.407 53.367 52.037 -0.128 0.000 0.623 52 A CB -0.754 18.172 19.000 -0.125 0.000 0.818 52 A HN 0.450 nan 8.150 nan 0.000 0.443 53 L N -0.867 120.199 121.223 -0.262 0.000 2.056 53 L HA -0.132 4.207 4.340 -0.001 0.000 0.207 53 L C 2.540 179.307 176.870 -0.171 0.000 1.078 53 L CA 0.918 55.612 54.840 -0.244 0.000 0.749 53 L CB -0.468 41.362 42.059 -0.382 0.000 0.901 53 L HN 0.349 nan 8.230 nan 0.000 0.433 54 L N -0.284 120.834 121.223 -0.175 0.000 2.141 54 L HA -0.170 4.169 4.340 -0.001 0.000 0.209 54 L C 2.282 179.119 176.870 -0.056 0.000 1.094 54 L CA 0.850 55.633 54.840 -0.095 0.000 0.763 54 L CB -0.442 41.585 42.059 -0.053 0.000 0.908 54 L HN 0.371 nan 8.230 nan 0.000 0.437 55 N N 0.275 118.944 118.700 -0.051 0.000 2.188 55 N HA -0.114 4.626 4.740 -0.001 0.000 0.184 55 N C 1.853 177.341 175.510 -0.036 0.000 1.018 55 N CA 1.370 54.404 53.050 -0.028 0.000 0.858 55 N CB -0.258 38.216 38.487 -0.021 0.000 0.989 55 N HN 0.256 nan 8.380 nan 0.000 0.426 56 A N 1.420 124.205 122.820 -0.057 0.000 1.978 56 A HA -0.132 4.187 4.320 -0.001 0.000 0.220 56 A C 2.227 179.781 177.584 -0.051 0.000 1.170 56 A CA 1.145 53.150 52.037 -0.053 0.000 0.636 56 A CB -0.331 18.627 19.000 -0.070 0.000 0.810 56 A HN 0.252 nan 8.150 nan 0.000 0.448 57 R N -0.415 120.041 120.500 -0.074 0.000 2.062 57 R HA -0.088 4.251 4.340 -0.001 0.000 0.231 57 R C 1.709 177.986 176.300 -0.039 0.000 1.136 57 R CA 1.356 57.398 56.100 -0.097 0.000 0.948 57 R CB -0.453 29.733 30.300 -0.190 0.000 0.845 57 R HN 0.447 nan 8.270 nan 0.000 0.430 58 D N 0.791 121.177 120.400 -0.023 0.000 2.104 58 D HA -0.167 4.472 4.640 -0.001 0.000 0.194 58 D C 1.787 178.105 176.300 0.030 0.000 0.994 58 D CA 1.360 55.367 54.000 0.012 0.000 0.830 58 D CB -0.062 40.747 40.800 0.015 0.000 0.959 58 D HN 0.281 nan 8.370 nan 0.000 0.452 59 E N 0.271 120.483 120.200 0.020 0.000 2.049 59 E HA -0.158 4.191 4.350 -0.001 0.000 0.198 59 E C 2.394 179.021 176.600 0.045 0.000 1.007 59 E CA 0.691 57.109 56.400 0.029 0.000 0.809 59 E CB -0.157 29.552 29.700 0.014 0.000 0.749 59 E HN 0.227 nan 8.360 nan 0.000 0.450 60 L N 0.452 121.699 121.223 0.040 0.000 2.083 60 L HA -0.233 4.106 4.340 -0.001 0.000 0.209 60 L C 2.609 179.536 176.870 0.095 0.000 1.083 60 L CA 0.923 55.800 54.840 0.062 0.000 0.752 60 L CB -0.218 41.903 42.059 0.104 0.000 0.899 60 L HN 0.131 nan 8.230 nan 0.000 0.433 61 Q N -0.040 119.819 119.800 0.099 0.000 2.124 61 Q HA -0.158 4.181 4.340 -0.001 0.000 0.202 61 Q C 2.220 178.287 176.000 0.112 0.000 0.977 61 Q CA 2.017 57.889 55.803 0.115 0.000 0.850 61 Q CB -0.302 28.510 28.738 0.124 0.000 0.901 61 Q HN 0.475 nan 8.270 nan 0.000 0.429 62 A N -0.203 122.677 122.820 0.100 0.000 1.873 62 A HA -0.222 4.097 4.320 -0.001 0.000 0.215 62 A C 2.048 179.718 177.584 0.143 0.000 1.186 62 A CA 1.555 53.653 52.037 0.102 0.000 0.616 62 A CB -0.553 18.494 19.000 0.078 0.000 0.823 62 A HN 0.479 nan 8.150 nan 0.000 0.442 63 Q N -0.582 119.318 119.800 0.167 0.000 2.061 63 Q HA -0.133 4.206 4.340 -0.001 0.000 0.204 63 Q C 1.939 178.198 176.000 0.431 0.000 0.984 63 Q CA 1.830 57.807 55.803 0.291 0.000 0.846 63 Q CB -0.326 28.571 28.738 0.264 0.000 0.902 63 Q HN 0.723 nan 8.270 nan 0.000 0.421 64 I N 0.658 121.427 120.570 0.330 0.000 2.394 64 I HA -0.254 3.915 4.170 -0.001 0.000 0.251 64 I C 1.551 177.908 176.117 0.401 0.000 1.136 64 I CA 0.846 62.372 61.300 0.376 0.000 1.425 64 I CB -0.103 37.993 38.000 0.161 0.000 1.079 64 I HN 0.158 nan 8.210 nan 0.000 0.425 65 D N 0.811 121.370 120.400 0.264 0.000 2.097 65 D HA -0.169 4.470 4.640 -0.001 0.000 0.197 65 D C 2.154 178.570 176.300 0.193 0.000 0.984 65 D CA 1.079 55.203 54.000 0.207 0.000 0.826 65 D CB -0.126 40.739 40.800 0.108 0.000 0.973 65 D HN 0.190 nan 8.370 nan 0.000 0.460 66 K N -0.365 120.131 120.400 0.160 0.000 2.001 66 K HA -0.200 4.120 4.320 -0.001 0.000 0.214 66 K C 2.166 178.801 176.600 0.058 0.000 1.050 66 K CA 1.272 57.614 56.287 0.093 0.000 0.934 66 K CB -0.399 32.154 32.500 0.088 0.000 0.718 66 K HN 0.180 nan 8.250 nan 0.000 0.443 67 W N 1.060 122.265 121.300 -0.158 0.000 2.321 67 W HA -0.250 4.409 4.660 -0.001 0.000 0.306 67 W C 1.994 178.352 176.519 -0.269 0.000 1.217 67 W CA 2.229 59.347 57.345 -0.378 0.000 1.257 67 W CB -0.261 28.777 29.460 -0.703 0.000 1.145 67 W HN 0.333 nan 8.180 nan 0.000 0.509 68 H N -1.666 117.568 119.070 0.275 0.000 2.395 68 H HA 0.017 4.573 4.556 -0.001 0.000 0.299 68 H C 2.322 177.657 175.328 0.012 0.000 1.070 68 H CA 1.714 57.870 56.048 0.180 0.000 1.356 68 H CB -0.235 29.671 29.762 0.240 0.000 1.401 68 H HN -0.005 nan 8.280 nan 0.000 0.524 69 R N 0.664 121.232 120.500 0.114 0.000 2.096 69 R HA -0.028 4.312 4.340 -0.001 0.000 0.235 69 R C 1.017 177.285 176.300 -0.053 0.000 1.127 69 R CA 0.963 57.082 56.100 0.032 0.000 0.968 69 R CB 0.076 30.391 30.300 0.024 0.000 0.861 69 R HN 0.136 nan 8.270 nan 0.000 0.440 70 R N 0.295 120.717 120.500 -0.130 0.000 2.788 70 R HA 0.140 4.479 4.340 -0.001 0.000 0.264 70 R C -0.548 175.584 176.300 -0.280 0.000 1.267 70 R CA 0.249 56.232 56.100 -0.194 0.000 1.213 70 R CB 0.252 30.418 30.300 -0.224 0.000 1.256 70 R HN -0.052 nan 8.270 nan 0.000 0.556 71 R N -0.365 119.998 120.500 -0.228 0.000 2.658 71 R HA 0.270 4.610 4.340 -0.001 0.000 0.287 71 R C -1.762 174.475 176.300 -0.105 0.000 1.209 71 R CA -0.466 55.486 56.100 -0.247 0.000 1.046 71 R CB 1.738 31.762 30.300 -0.459 0.000 1.247 71 R HN -0.042 nan 8.270 nan 0.000 0.405 72 V N 1.641 121.507 119.914 -0.080 0.000 3.087 72 V HA 0.481 4.601 4.120 -0.001 0.000 0.306 72 V C 0.924 176.996 176.094 -0.037 0.000 1.187 72 V CA -1.097 61.184 62.300 -0.031 0.000 0.999 72 V CB 1.995 33.812 31.823 -0.010 0.000 1.049 72 V HN 0.666 nan 8.190 nan 0.000 0.431 73 I N -1.148 119.408 120.570 -0.023 0.000 3.885 73 I HA -0.225 3.945 4.170 -0.001 0.000 0.146 73 I C 0.726 176.824 176.117 -0.032 0.000 0.350 73 I CA 1.581 62.864 61.300 -0.028 0.000 1.245 73 I CB -1.633 36.350 38.000 -0.029 0.000 1.094 73 I HN 1.141 nan 8.210 nan 0.000 0.213 74 E N 2.986 123.162 120.200 -0.039 0.000 2.042 74 E HA 0.507 4.856 4.350 -0.001 0.000 0.260 74 E C -2.014 174.570 176.600 -0.027 0.000 0.975 74 E CA -1.683 54.694 56.400 -0.037 0.000 0.799 74 E CB 0.123 29.792 29.700 -0.051 0.000 1.131 74 E HN 0.214 nan 8.360 nan 0.000 0.423 75 P HA -0.155 nan 4.420 nan 0.000 0.267 75 P C -0.114 177.201 177.300 0.025 0.000 1.175 75 P CA 0.027 63.129 63.100 0.003 0.000 0.763 75 P CB 0.493 32.192 31.700 -0.003 0.000 0.795 76 I N 1.948 122.552 120.570 0.056 0.000 2.845 76 I HA -0.159 4.010 4.170 -0.001 0.000 0.290 76 I C 0.504 176.692 176.117 0.118 0.000 1.202 76 I CA 0.403 61.776 61.300 0.123 0.000 1.406 76 I CB -0.090 37.986 38.000 0.128 0.000 1.383 76 I HN 0.342 nan 8.210 nan 0.000 0.549 77 D N 7.486 127.987 120.400 0.168 0.000 2.344 77 D HA 0.026 4.665 4.640 -0.001 0.000 0.253 77 D C 0.983 177.411 176.300 0.212 0.000 1.255 77 D CA -0.245 53.849 54.000 0.157 0.000 0.894 77 D CB 0.824 41.709 40.800 0.141 0.000 1.067 77 D HN 0.466 nan 8.370 nan 0.000 0.492 78 M N 2.440 122.118 119.600 0.130 0.000 2.476 78 M HA -0.066 4.414 4.480 -0.001 0.000 0.262 78 M C 0.582 176.967 176.300 0.141 0.000 1.079 78 M CA 0.859 56.228 55.300 0.115 0.000 1.104 78 M CB -0.099 32.532 32.600 0.052 0.000 1.409 78 M HN 0.530 nan 8.290 nan 0.000 0.467 79 D N -0.110 120.365 120.400 0.126 0.000 2.249 79 D HA 0.049 4.689 4.640 -0.001 0.000 0.205 79 D C 1.855 178.229 176.300 0.124 0.000 0.962 79 D CA 0.903 54.966 54.000 0.105 0.000 0.860 79 D CB 0.108 40.955 40.800 0.079 0.000 0.955 79 D HN 0.269 nan 8.370 nan 0.000 0.505 80 A N 0.295 123.228 122.820 0.188 0.000 1.968 80 A HA -0.163 4.156 4.320 -0.001 0.000 0.217 80 A C 2.076 179.764 177.584 0.173 0.000 1.169 80 A CA 0.723 52.910 52.037 0.249 0.000 0.638 80 A CB -0.777 18.451 19.000 0.380 0.000 0.812 80 A HN 0.245 nan 8.150 nan 0.000 0.446 81 Y N 0.218 120.472 120.300 -0.076 0.000 2.145 81 Y HA -0.178 4.372 4.550 -0.001 0.000 0.286 81 Y C 2.591 178.313 175.900 -0.297 0.000 1.145 81 Y CA 2.141 59.936 58.100 -0.510 0.000 1.148 81 Y CB -0.212 38.018 38.460 -0.383 0.000 0.981 81 Y HN 0.197 nan 8.280 nan 0.000 0.507 82 R N 0.376 120.874 120.500 -0.003 0.000 2.096 82 R HA -0.237 4.102 4.340 -0.001 0.000 0.235 82 R C 2.344 178.586 176.300 -0.097 0.000 1.127 82 R CA 1.982 58.053 56.100 -0.049 0.000 0.968 82 R CB -0.342 29.986 30.300 0.046 0.000 0.861 82 R HN 0.589 nan 8.270 nan 0.000 0.440 83 Q N -0.495 119.284 119.800 -0.035 0.000 2.079 83 Q HA -0.174 4.165 4.340 -0.001 0.000 0.200 83 Q C 1.885 177.868 176.000 -0.027 0.000 0.974 83 Q CA 1.576 57.375 55.803 -0.008 0.000 0.840 83 Q CB -0.459 28.309 28.738 0.051 0.000 0.898 83 Q HN 0.259 nan 8.270 nan 0.000 0.430 84 F N 1.148 120.943 119.950 -0.257 0.000 2.065 84 F HA -0.201 4.326 4.527 -0.001 0.000 0.298 84 F C 1.648 177.219 175.800 -0.381 0.000 1.112 84 F CA 1.647 59.433 58.000 -0.357 0.000 1.212 84 F CB -0.586 37.974 39.000 -0.732 0.000 0.975 84 F HN 0.148 nan 8.300 nan 0.000 0.476 85 L N -0.552 120.233 121.223 -0.730 0.000 2.127 85 L HA -0.267 4.073 4.340 -0.001 0.000 0.211 85 L C 2.264 178.928 176.870 -0.344 0.000 1.089 85 L CA 1.862 56.281 54.840 -0.703 0.000 0.757 85 L CB -1.177 40.490 42.059 -0.653 0.000 0.899 85 L HN 0.213 nan 8.230 nan 0.000 0.434 86 T N -1.367 113.052 114.554 -0.225 0.000 2.812 86 T HA -0.169 4.180 4.350 -0.001 0.000 0.264 86 T C 1.759 176.390 174.700 -0.115 0.000 1.042 86 T CA 1.053 63.083 62.100 -0.116 0.000 1.140 86 T CB -0.017 68.814 68.868 -0.062 0.000 0.870 86 T HN 0.221 nan 8.240 nan 0.000 0.445 87 E N 1.120 121.241 120.200 -0.131 0.000 2.085 87 E HA -0.087 4.262 4.350 -0.001 0.000 0.194 87 E C 2.000 178.532 176.600 -0.113 0.000 0.994 87 E CA 0.911 57.263 56.400 -0.079 0.000 0.801 87 E CB -0.285 29.413 29.700 -0.004 0.000 0.743 87 E HN 0.717 nan 8.360 nan 0.000 0.453 88 I N -4.234 116.192 120.570 -0.240 0.000 3.428 88 I HA 0.274 4.443 4.170 -0.001 0.000 0.286 88 I C 1.225 177.267 176.117 -0.124 0.000 1.287 88 I CA 0.624 61.797 61.300 -0.211 0.000 1.396 88 I CB -0.141 37.627 38.000 -0.387 0.000 1.062 88 I HN 0.158 nan 8.210 nan 0.000 0.471 89 G N 1.473 110.212 108.800 -0.102 0.000 2.198 89 G HA2 -0.367 3.593 3.960 -0.001 0.000 0.257 89 G HA3 -0.367 3.593 3.960 -0.001 0.000 0.257 89 G C 0.297 175.179 174.900 -0.030 0.000 1.042 89 G CA 0.664 45.731 45.100 -0.055 0.000 0.791 89 G HN 0.693 nan 8.290 nan 0.000 0.502 90 Y N -0.386 119.803 120.300 -0.185 0.000 2.205 90 Y HA 0.457 5.007 4.550 -0.001 0.000 0.292 90 Y C 1.714 177.543 175.900 -0.119 0.000 1.119 90 Y CA 0.886 58.889 58.100 -0.162 0.000 1.117 90 Y CB 0.191 38.500 38.460 -0.251 0.000 1.037 90 Y HN 0.209 nan 8.280 nan 0.000 0.510 91 L N 3.198 124.541 121.223 0.201 0.000 2.375 91 L HA 0.206 4.545 4.340 -0.001 0.000 0.276 91 L C -0.787 176.096 176.870 0.021 0.000 1.162 91 L CA -0.167 54.736 54.840 0.105 0.000 0.991 91 L CB -0.208 41.888 42.059 0.062 0.000 1.315 91 L HN 0.258 nan 8.230 nan 0.000 0.431 92 L N 5.046 126.269 121.223 0.000 0.000 2.476 92 L HA 0.255 4.595 4.340 -0.001 0.000 0.264 92 L C -1.464 175.414 176.870 0.013 0.000 1.224 92 L CA -1.584 53.253 54.840 -0.004 0.000 0.821 92 L CB 0.031 42.082 42.059 -0.013 0.000 1.101 92 L HN 0.420 nan 8.230 nan 0.000 0.488 93 P HA -0.019 nan 4.420 nan 0.000 0.273 93 P C -1.064 176.260 177.300 0.041 0.000 1.258 93 P CA -0.194 62.921 63.100 0.025 0.000 0.802 93 P CB 0.429 32.141 31.700 0.020 0.000 1.040 94 E N 0.332 120.563 120.200 0.051 0.000 2.145 94 E HA 0.346 4.696 4.350 -0.001 0.000 0.270 94 E C -2.006 174.637 176.600 0.072 0.000 0.906 94 E CA -2.118 54.324 56.400 0.071 0.000 0.761 94 E CB 0.419 30.165 29.700 0.077 0.000 1.116 94 E HN 0.280 nan 8.360 nan 0.000 0.408 95 P HA 0.202 nan 4.420 nan 0.000 0.277 95 P C -0.660 176.713 177.300 0.123 0.000 1.271 95 P CA -0.451 62.704 63.100 0.091 0.000 0.795 95 P CB 0.607 32.357 31.700 0.084 0.000 1.101 96 D N 0.100 120.572 120.400 0.120 0.000 2.362 96 D HA 0.069 4.709 4.640 -0.001 0.000 0.242 96 D C -0.237 176.191 176.300 0.213 0.000 1.132 96 D CA 0.153 54.229 54.000 0.128 0.000 0.907 96 D CB 0.347 41.205 40.800 0.097 0.000 1.195 96 D HN 0.248 nan 8.370 nan 0.000 0.429 97 D N 0.729 121.211 120.400 0.137 0.000 2.525 97 D HA 0.141 4.780 4.640 -0.001 0.000 0.235 97 D C 0.041 176.455 176.300 0.190 0.000 1.137 97 D CA 0.735 54.788 54.000 0.089 0.000 0.868 97 D CB 0.064 40.871 40.800 0.012 0.000 1.180 97 D HN 0.237 nan 8.370 nan 0.000 0.465 98 F N -1.807 118.162 119.950 0.031 0.000 2.715 98 F HA 0.651 5.178 4.527 -0.001 0.000 0.318 98 F C -0.881 174.950 175.800 0.051 0.000 1.141 98 F CA -1.011 57.011 58.000 0.037 0.000 0.950 98 F CB 1.310 40.334 39.000 0.040 0.000 1.374 98 F HN -0.013 nan 8.300 nan 0.000 0.477 99 T N 3.045 117.722 114.554 0.205 0.000 2.840 99 T HA 0.495 4.845 4.350 -0.001 0.000 0.287 99 T C -0.162 174.710 174.700 0.287 0.000 0.991 99 T CA -0.637 61.532 62.100 0.114 0.000 0.964 99 T CB 1.036 69.944 68.868 0.066 0.000 0.954 99 T HN 0.849 nan 8.240 nan 0.000 0.438 100 I N 1.620 122.360 120.570 0.282 0.000 2.932 100 I HA 0.176 4.345 4.170 -0.001 0.000 0.295 100 I C 1.007 177.190 176.117 0.111 0.000 1.227 100 I CA 0.108 61.550 61.300 0.235 0.000 1.429 100 I CB 0.515 38.596 38.000 0.134 0.000 1.339 100 I HN 0.697 nan 8.210 nan 0.000 0.589 101 T N -0.015 114.587 114.554 0.081 0.000 3.040 101 T HA 0.132 4.481 4.350 -0.001 0.000 0.266 101 T C 0.656 175.370 174.700 0.023 0.000 1.005 101 T CA -0.189 61.939 62.100 0.047 0.000 0.906 101 T CB -0.641 68.255 68.868 0.047 0.000 1.082 101 T HN 0.755 nan 8.240 nan 0.000 0.531 102 T N 4.371 118.931 114.554 0.011 0.000 2.709 102 T HA 0.249 4.598 4.350 -0.001 0.000 0.269 102 T C 0.501 175.205 174.700 0.006 0.000 1.008 102 T CA 0.276 62.379 62.100 0.005 0.000 1.194 102 T CB -0.167 68.692 68.868 -0.016 0.000 0.986 102 T HN 0.688 nan 8.240 nan 0.000 0.508 103 S N 1.929 117.637 115.700 0.015 0.000 2.715 103 S HA 0.793 5.262 4.470 -0.001 0.000 0.307 103 S C 0.960 175.573 174.600 0.021 0.000 1.119 103 S CA -0.402 57.808 58.200 0.016 0.000 0.937 103 S CB 1.868 65.075 63.200 0.011 0.000 1.150 103 S HN 1.406 nan 8.310 nan 0.000 0.521 104 G N -0.607 108.207 108.800 0.023 0.000 2.137 104 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.237 104 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.237 104 G C -0.172 174.765 174.900 0.062 0.000 1.002 104 G CA 0.028 45.141 45.100 0.022 0.000 0.702 104 G HN 1.094 nan 8.290 nan 0.000 0.515 105 V N 0.760 120.728 119.914 0.091 0.000 2.612 105 V HA 0.407 4.527 4.120 -0.001 0.000 0.301 105 V C 0.479 176.645 176.094 0.119 0.000 1.046 105 V CA -1.088 61.312 62.300 0.167 0.000 0.946 105 V CB 1.654 33.554 31.823 0.128 0.000 1.003 105 V HN 0.292 nan 8.190 nan 0.000 0.459 106 D N 2.314 122.801 120.400 0.145 0.000 2.382 106 D HA 0.214 4.854 4.640 -0.001 0.000 0.245 106 D C 1.127 177.444 176.300 0.029 0.000 1.120 106 D CA 0.419 54.465 54.000 0.078 0.000 0.890 106 D CB 1.832 42.682 40.800 0.083 0.000 1.201 106 D HN 0.656 nan 8.370 nan 0.000 0.433 107 A N 3.239 126.080 122.820 0.034 0.000 1.971 107 A HA -0.268 4.051 4.320 -0.001 0.000 0.222 107 A C 1.818 179.410 177.584 0.013 0.000 1.182 107 A CA 1.598 53.651 52.037 0.026 0.000 0.649 107 A CB -0.475 18.547 19.000 0.036 0.000 0.818 107 A HN 0.720 nan 8.150 nan 0.000 0.458 108 E N -0.226 119.978 120.200 0.008 0.000 2.338 108 E HA -0.100 4.250 4.350 -0.001 0.000 0.197 108 E C 1.738 178.336 176.600 -0.002 0.000 1.007 108 E CA 1.160 57.557 56.400 -0.004 0.000 0.849 108 E CB -0.361 29.339 29.700 0.000 0.000 0.774 108 E HN 0.763 nan 8.360 nan 0.000 0.506 109 I N 1.649 122.209 120.570 -0.018 0.000 2.729 109 I HA -0.133 4.036 4.170 -0.001 0.000 0.256 109 I C 2.592 178.728 176.117 0.032 0.000 1.115 109 I CA 1.330 62.638 61.300 0.014 0.000 1.446 109 I CB -0.267 37.674 38.000 -0.099 0.000 1.176 109 I HN 0.107 nan 8.210 nan 0.000 0.446 110 T N -2.313 112.248 114.554 0.012 0.000 2.904 110 T HA -0.041 4.309 4.350 -0.001 0.000 0.267 110 T C 1.481 176.192 174.700 0.019 0.000 1.059 110 T CA 1.800 63.909 62.100 0.014 0.000 1.137 110 T CB -0.281 68.593 68.868 0.010 0.000 0.879 110 T HN 0.235 nan 8.240 nan 0.000 0.467 111 T N 0.455 115.016 114.554 0.012 0.000 3.176 111 T HA 0.181 4.531 4.350 -0.001 0.000 0.259 111 T C 0.567 175.262 174.700 -0.008 0.000 0.978 111 T CA 0.060 62.163 62.100 0.006 0.000 1.050 111 T CB -0.008 68.864 68.868 0.006 0.000 1.136 111 T HN 0.394 nan 8.240 nan 0.000 0.465 112 T N 3.048 117.590 114.554 -0.020 0.000 2.901 112 T HA 0.602 4.951 4.350 -0.001 0.000 0.301 112 T C -0.136 174.516 174.700 -0.080 0.000 1.012 112 T CA -0.467 61.600 62.100 -0.055 0.000 1.135 112 T CB 0.890 69.718 68.868 -0.066 0.000 0.936 112 T HN 0.404 nan 8.240 nan 0.000 0.539 113 A N 2.330 125.078 122.820 -0.119 0.000 2.304 113 A HA 0.870 5.190 4.320 -0.001 0.000 0.314 113 A C 0.397 177.652 177.584 -0.549 0.000 1.187 113 A CA -0.316 51.624 52.037 -0.162 0.000 0.810 113 A CB 0.954 19.975 19.000 0.034 0.000 1.183 113 A HN 1.234 nan 8.150 nan 0.000 0.487 114 G N 1.723 109.959 108.800 -0.940 0.000 2.441 114 G HA2 0.596 4.555 3.960 -0.001 0.000 0.294 114 G HA3 0.596 4.555 3.960 -0.001 0.000 0.294 114 G C -3.608 170.731 174.900 -0.934 0.000 1.393 114 G CA -0.834 43.385 45.100 -1.469 0.000 0.796 114 G HN 0.433 nan 8.290 nan 0.000 0.494 115 P HA 0.255 nan 4.420 nan 0.000 0.269 115 P C -0.730 176.544 177.300 -0.045 0.000 1.215 115 P CA 0.044 63.085 63.100 -0.098 0.000 0.780 115 P CB 0.776 32.499 31.700 0.038 0.000 0.898 116 Q N 1.660 121.505 119.800 0.075 0.000 2.321 116 Q HA 0.562 4.902 4.340 -0.001 0.000 0.270 116 Q C -1.814 174.138 176.000 -0.078 0.000 1.032 116 Q CA -0.916 54.891 55.803 0.005 0.000 0.784 116 Q CB 1.076 29.840 28.738 0.044 0.000 1.264 116 Q HN 0.238 nan 8.270 nan 0.000 0.448 117 L N 4.237 125.387 121.223 -0.121 0.000 2.325 117 L HA 0.672 5.011 4.340 -0.001 0.000 0.278 117 L C -1.577 175.136 176.870 -0.262 0.000 1.023 117 L CA -0.527 54.224 54.840 -0.149 0.000 0.811 117 L CB 2.062 44.082 42.059 -0.065 0.000 1.249 117 L HN 0.531 nan 8.230 nan 0.000 0.431 118 V N 5.267 124.996 119.914 -0.308 0.000 2.531 118 V HA 0.671 4.790 4.120 -0.001 0.000 0.301 118 V C -0.773 175.222 176.094 -0.165 0.000 1.034 118 V CA -0.669 61.420 62.300 -0.353 0.000 0.865 118 V CB 1.753 33.188 31.823 -0.648 0.000 0.995 118 V HN 0.617 nan 8.190 nan 0.000 0.424 119 V N 6.875 126.735 119.914 -0.090 0.000 2.841 119 V HA 0.687 4.807 4.120 -0.001 0.000 0.310 119 V C -2.455 173.636 176.094 -0.006 0.000 1.090 119 V CA -2.416 59.878 62.300 -0.010 0.000 0.930 119 V CB 3.356 35.202 31.823 0.037 0.000 1.014 119 V HN 0.770 nan 8.190 nan 0.000 0.425 120 P HA 0.044 nan 4.420 nan 0.000 0.267 120 P C 0.550 177.801 177.300 -0.082 0.000 1.209 120 P CA 0.598 63.682 63.100 -0.027 0.000 0.763 120 P CB 1.393 33.100 31.700 0.011 0.000 0.816 121 V N 4.200 123.984 119.914 -0.217 0.000 3.041 121 V HA -0.132 3.987 4.120 -0.001 0.000 0.260 121 V C 1.915 177.874 176.094 -0.225 0.000 1.105 121 V CA 1.178 63.321 62.300 -0.262 0.000 1.125 121 V CB -0.778 30.715 31.823 -0.549 0.000 0.730 121 V HN 0.334 nan 8.190 nan 0.000 0.479 122 L N 0.831 121.915 121.223 -0.232 0.000 2.551 122 L HA 0.123 4.463 4.340 -0.001 0.000 0.228 122 L C 1.129 177.911 176.870 -0.147 0.000 1.153 122 L CA 0.999 55.730 54.840 -0.183 0.000 0.851 122 L CB -0.575 41.370 42.059 -0.190 0.000 0.959 122 L HN 0.341 nan 8.230 nan 0.000 0.451 123 N N -0.301 118.320 118.700 -0.131 0.000 2.621 123 N HA 0.233 4.972 4.740 -0.001 0.000 0.237 123 N C 0.885 176.343 175.510 -0.086 0.000 0.997 123 N CA 0.457 53.411 53.050 -0.159 0.000 0.918 123 N CB 1.511 39.843 38.487 -0.260 0.000 1.122 123 N HN 0.049 nan 8.380 nan 0.000 0.510 124 A N 3.904 126.681 122.820 -0.071 0.000 1.940 124 A HA -0.181 4.139 4.320 -0.001 0.000 0.219 124 A C 2.156 179.747 177.584 0.012 0.000 1.176 124 A CA 1.406 53.435 52.037 -0.014 0.000 0.631 124 A CB -0.281 18.711 19.000 -0.014 0.000 0.814 124 A HN 0.730 nan 8.150 nan 0.000 0.446 125 R N -0.952 119.527 120.500 -0.035 0.000 2.070 125 R HA -0.084 4.255 4.340 -0.001 0.000 0.233 125 R C 1.895 178.325 176.300 0.217 0.000 1.137 125 R CA 2.057 58.175 56.100 0.030 0.000 0.945 125 R CB -0.527 29.724 30.300 -0.082 0.000 0.845 125 R HN 0.565 nan 8.270 nan 0.000 0.430 126 F N 0.070 120.020 119.950 -0.000 0.000 2.206 126 F HA -0.031 4.496 4.527 -0.001 0.000 0.298 126 F C 2.565 178.369 175.800 0.006 0.000 1.090 126 F CA -0.007 57.994 58.000 0.001 0.000 1.323 126 F CB -0.200 38.796 39.000 -0.007 0.000 1.028 126 F HN 0.275 nan 8.300 nan 0.000 0.492 127 A N 1.140 124.078 122.820 0.198 0.000 1.865 127 A HA -0.196 4.123 4.320 -0.001 0.000 0.217 127 A C 2.120 179.772 177.584 0.114 0.000 1.191 127 A CA 1.456 53.570 52.037 0.128 0.000 0.623 127 A CB -1.158 17.901 19.000 0.098 0.000 0.826 127 A HN 0.345 nan 8.150 nan 0.000 0.444 128 L N -0.433 120.852 121.223 0.103 0.000 2.013 128 L HA -0.283 4.056 4.340 -0.001 0.000 0.212 128 L C 2.387 179.306 176.870 0.082 0.000 1.073 128 L CA 2.009 56.900 54.840 0.084 0.000 0.753 128 L CB -0.780 41.321 42.059 0.070 0.000 0.890 128 L HN 0.514 nan 8.230 nan 0.000 0.432 129 N N -0.528 118.230 118.700 0.097 0.000 2.205 129 N HA -0.185 4.555 4.740 -0.001 0.000 0.186 129 N C 1.875 177.415 175.510 0.050 0.000 1.015 129 N CA 0.897 53.989 53.050 0.070 0.000 0.862 129 N CB -0.140 38.388 38.487 0.069 0.000 0.986 129 N HN 0.368 nan 8.380 nan 0.000 0.429 130 A N 1.321 124.178 122.820 0.061 0.000 1.855 130 A HA 0.024 4.343 4.320 -0.001 0.000 0.215 130 A C 2.338 179.958 177.584 0.059 0.000 1.191 130 A CA 1.597 53.661 52.037 0.045 0.000 0.613 130 A CB -0.915 18.116 19.000 0.052 0.000 0.829 130 A HN 0.319 nan 8.150 nan 0.000 0.442 131 A N -0.071 122.797 122.820 0.081 0.000 2.019 131 A HA -0.157 4.162 4.320 -0.001 0.000 0.219 131 A C 1.714 179.350 177.584 0.087 0.000 1.164 131 A CA 1.713 53.804 52.037 0.089 0.000 0.644 131 A CB -0.552 18.505 19.000 0.095 0.000 0.805 131 A HN 0.526 nan 8.150 nan 0.000 0.449 132 N N 0.024 118.772 118.700 0.080 0.000 2.467 132 N HA 0.100 4.839 4.740 -0.001 0.000 0.184 132 N C 1.331 176.902 175.510 0.102 0.000 1.106 132 N CA 0.893 53.999 53.050 0.093 0.000 0.892 132 N CB -0.199 38.330 38.487 0.069 0.000 0.969 132 N HN 0.459 nan 8.380 nan 0.000 0.454 133 A N 0.492 123.351 122.820 0.065 0.000 2.235 133 A HA 0.002 4.322 4.320 -0.001 0.000 0.208 133 A C 2.131 179.721 177.584 0.010 0.000 1.172 133 A CA 0.254 52.314 52.037 0.038 0.000 0.786 133 A CB -0.275 18.730 19.000 0.009 0.000 0.804 133 A HN 0.125 nan 8.150 nan 0.000 0.479 134 R N -0.936 119.575 120.500 0.019 0.000 2.117 134 R HA -0.156 4.184 4.340 -0.001 0.000 0.243 134 R C -0.476 175.643 176.300 -0.302 0.000 1.143 134 R CA 1.365 57.388 56.100 -0.127 0.000 0.968 134 R CB -0.144 30.127 30.300 -0.049 0.000 0.863 134 R HN 0.573 nan 8.270 nan 0.000 0.444 135 W N -0.934 120.373 121.300 0.012 0.000 2.600 135 W HA 0.611 5.271 4.660 -0.001 0.000 0.325 135 W C -0.288 176.229 176.519 -0.003 0.000 1.034 135 W CA -0.645 56.707 57.345 0.011 0.000 1.226 135 W CB 1.958 31.423 29.460 0.008 0.000 1.379 135 W HN 0.117 nan 8.180 nan 0.000 0.466 136 G N 0.772 109.686 108.800 0.189 0.000 2.612 136 G HA2 0.458 4.418 3.960 -0.001 0.000 0.298 136 G HA3 0.458 4.418 3.960 -0.001 0.000 0.298 136 G C -1.315 173.632 174.900 0.078 0.000 1.336 136 G CA -0.886 44.272 45.100 0.096 0.000 0.953 136 G HN 0.310 nan 8.290 nan 0.000 0.482 137 S N 0.937 116.667 115.700 0.049 0.000 2.474 137 S HA 0.138 4.608 4.470 -0.001 0.000 0.276 137 S C 1.305 175.934 174.600 0.048 0.000 1.227 137 S CA -0.621 57.601 58.200 0.038 0.000 1.050 137 S CB 0.939 64.154 63.200 0.025 0.000 0.939 137 S HN 0.622 nan 8.310 nan 0.000 0.490 138 L N 6.554 127.813 121.223 0.060 0.000 2.156 138 L HA 0.130 4.470 4.340 -0.001 0.000 0.208 138 L C 1.408 178.390 176.870 0.187 0.000 1.095 138 L CA 1.750 56.629 54.840 0.065 0.000 0.770 138 L CB -1.054 41.019 42.059 0.024 0.000 0.914 138 L HN 0.835 nan 8.230 nan 0.000 0.439 139 Y N 0.191 120.487 120.300 -0.007 0.000 2.145 139 Y HA -0.201 4.349 4.550 -0.001 0.000 0.286 139 Y C 2.486 178.413 175.900 0.045 0.000 1.145 139 Y CA 1.335 59.454 58.100 0.033 0.000 1.148 139 Y CB -0.868 37.621 38.460 0.049 0.000 0.981 139 Y HN 0.266 nan 8.280 nan 0.000 0.507 140 D N -0.586 119.924 120.400 0.183 0.000 2.144 140 D HA -0.124 4.516 4.640 -0.001 0.000 0.199 140 D C 2.239 178.582 176.300 0.072 0.000 0.984 140 D CA 1.338 55.400 54.000 0.105 0.000 0.834 140 D CB -0.470 40.361 40.800 0.053 0.000 0.955 140 D HN 0.299 nan 8.370 nan 0.000 0.465 141 A N 0.222 123.062 122.820 0.032 0.000 1.969 141 A HA -0.053 4.267 4.320 -0.001 0.000 0.218 141 A C 2.292 179.834 177.584 -0.068 0.000 1.169 141 A CA 0.766 52.788 52.037 -0.025 0.000 0.635 141 A CB -0.429 18.538 19.000 -0.054 0.000 0.810 141 A HN 0.197 nan 8.150 nan 0.000 0.445 142 L N -3.040 118.132 121.223 -0.083 0.000 2.168 142 L HA -0.016 4.324 4.340 -0.001 0.000 0.203 142 L C 2.506 179.311 176.870 -0.108 0.000 1.078 142 L CA 1.068 55.794 54.840 -0.190 0.000 0.780 142 L CB -0.622 41.244 42.059 -0.322 0.000 0.939 142 L HN 0.488 nan 8.230 nan 0.000 0.451 143 Y N 1.091 121.320 120.300 -0.119 0.000 2.200 143 Y HA -0.162 4.387 4.550 -0.001 0.000 0.290 143 Y C 2.393 178.256 175.900 -0.062 0.000 1.137 143 Y CA 1.628 59.678 58.100 -0.084 0.000 1.163 143 Y CB -0.217 38.227 38.460 -0.026 0.000 0.988 143 Y HN 0.094 nan 8.280 nan 0.000 0.518 144 G N -1.158 107.752 108.800 0.183 0.000 2.443 144 G HA2 -0.099 3.860 3.960 -0.001 0.000 0.219 144 G HA3 -0.099 3.860 3.960 -0.001 0.000 0.219 144 G C 0.735 175.648 174.900 0.022 0.000 1.131 144 G CA 1.056 46.223 45.100 0.111 0.000 0.775 144 G HN 0.432 nan 8.290 nan 0.000 0.547 145 T N -2.143 112.395 114.554 -0.027 0.000 2.870 145 T HA 0.386 4.735 4.350 -0.001 0.000 0.277 145 T C 0.690 175.342 174.700 -0.080 0.000 1.000 145 T CA 0.210 62.280 62.100 -0.049 0.000 0.982 145 T CB 1.707 70.540 68.868 -0.058 0.000 1.249 145 T HN 0.018 nan 8.240 nan 0.000 0.589 146 D N -0.085 120.278 120.400 -0.062 0.000 2.324 146 D HA 0.007 4.646 4.640 -0.001 0.000 0.235 146 D C 1.606 177.859 176.300 -0.078 0.000 1.095 146 D CA -0.115 53.848 54.000 -0.062 0.000 0.871 146 D CB -0.663 40.122 40.800 -0.024 0.000 0.906 146 D HN 0.284 nan 8.370 nan 0.000 0.522 147 V N 0.572 120.413 119.914 -0.122 0.000 2.295 147 V HA -0.127 3.992 4.120 -0.001 0.000 0.246 147 V C 1.380 177.387 176.094 -0.146 0.000 1.049 147 V CA 0.761 62.970 62.300 -0.152 0.000 1.024 147 V CB -0.290 31.364 31.823 -0.282 0.000 0.648 147 V HN 0.286 nan 8.190 nan 0.000 0.447 148 I N 2.113 122.568 120.570 -0.192 0.000 2.301 148 I HA 0.292 4.461 4.170 -0.001 0.000 0.292 148 I C -2.470 173.571 176.117 -0.125 0.000 1.046 148 I CA -2.520 58.688 61.300 -0.153 0.000 1.282 148 I CB 0.480 38.349 38.000 -0.218 0.000 1.409 148 I HN 0.153 nan 8.210 nan 0.000 0.484 149 P HA 0.098 nan 4.420 nan 0.000 0.267 149 P C 0.561 177.808 177.300 -0.088 0.000 1.205 149 P CA -0.077 62.984 63.100 -0.065 0.000 0.765 149 P CB 0.685 32.366 31.700 -0.033 0.000 0.828 150 E N 0.409 120.559 120.200 -0.084 0.000 2.516 150 E HA -0.031 4.319 4.350 -0.001 0.000 0.199 150 E C 0.707 177.266 176.600 -0.069 0.000 1.069 150 E CA 0.512 56.856 56.400 -0.093 0.000 0.876 150 E CB 0.056 29.710 29.700 -0.077 0.000 0.843 150 E HN 0.609 nan 8.360 nan 0.000 0.530 151 T N -2.315 112.208 114.554 -0.052 0.000 2.849 151 T HA 0.126 4.475 4.350 -0.001 0.000 0.276 151 T C 0.298 174.975 174.700 -0.039 0.000 0.971 151 T CA -0.695 61.383 62.100 -0.037 0.000 0.949 151 T CB 1.111 69.964 68.868 -0.024 0.000 1.093 151 T HN -0.100 nan 8.240 nan 0.000 0.545 152 D N -0.162 120.221 120.400 -0.028 0.000 2.907 152 D HA -0.122 4.518 4.640 -0.001 0.000 0.226 152 D C 0.790 177.071 176.300 -0.031 0.000 1.141 152 D CA 1.526 55.511 54.000 -0.025 0.000 0.779 152 D CB -1.744 39.042 40.800 -0.023 0.000 1.095 152 D HN 1.613 nan 8.370 nan 0.000 0.430 153 G N -0.122 108.659 108.800 -0.033 0.000 2.374 153 G HA2 0.085 4.044 3.960 -0.001 0.000 0.289 153 G HA3 0.085 4.044 3.960 -0.001 0.000 0.289 153 G C 0.456 175.324 174.900 -0.054 0.000 1.004 153 G CA 0.415 45.493 45.100 -0.036 0.000 1.292 153 G HN 1.333 nan 8.290 nan 0.000 0.502 154 A N 0.809 123.585 122.820 -0.074 0.000 2.816 154 A HA 0.524 4.844 4.320 -0.001 0.000 0.208 154 A C 0.601 178.096 177.584 -0.148 0.000 0.896 154 A CA 0.437 52.404 52.037 -0.116 0.000 1.183 154 A CB 0.209 19.136 19.000 -0.120 0.000 1.249 154 A HN 0.798 nan 8.150 nan 0.000 0.484 155 E N 1.556 121.692 120.200 -0.108 0.000 2.404 155 E HA 0.222 4.571 4.350 -0.001 0.000 0.261 155 E C -0.513 176.014 176.600 -0.120 0.000 1.074 155 E CA -0.273 56.067 56.400 -0.100 0.000 0.917 155 E CB 0.837 30.504 29.700 -0.055 0.000 0.965 155 E HN 0.555 nan 8.360 nan 0.000 0.433 156 K N 0.654 120.988 120.400 -0.110 0.000 2.098 156 K HA 0.677 4.996 4.320 -0.001 0.000 0.257 156 K C 0.160 176.772 176.600 0.021 0.000 0.999 156 K CA -0.756 55.505 56.287 -0.043 0.000 0.924 156 K CB 1.394 33.887 32.500 -0.012 0.000 1.028 156 K HN 0.685 nan 8.250 nan 0.000 0.466 157 G N 0.344 109.188 108.800 0.073 0.000 2.634 157 G HA2 0.331 4.291 3.960 -0.001 0.000 0.309 157 G HA3 0.331 4.291 3.960 -0.001 0.000 0.309 157 G C -2.210 172.739 174.900 0.081 0.000 1.299 157 G CA -0.798 44.337 45.100 0.060 0.000 0.798 157 G HN 0.456 nan 8.290 nan 0.000 0.490 158 P HA 0.129 nan 4.420 nan 0.000 0.231 158 P C 0.726 178.071 177.300 0.075 0.000 1.168 158 P CA 0.965 64.103 63.100 0.064 0.000 0.779 158 P CB 0.175 31.905 31.700 0.049 0.000 0.844 159 T N -2.584 112.020 114.554 0.083 0.000 2.794 159 T HA 0.285 4.635 4.350 -0.001 0.000 0.280 159 T C -0.554 174.235 174.700 0.149 0.000 0.987 159 T CA -0.951 61.213 62.100 0.106 0.000 0.993 159 T CB 0.869 69.788 68.868 0.085 0.000 0.939 159 T HN -0.001 nan 8.240 nan 0.000 0.449 160 Y N 4.384 124.713 120.300 0.048 0.000 2.810 160 Y HA 0.210 4.759 4.550 -0.001 0.000 0.332 160 Y C 0.319 176.297 175.900 0.130 0.000 1.243 160 Y CA 0.151 58.294 58.100 0.073 0.000 1.537 160 Y CB 0.413 38.867 38.460 -0.011 0.000 1.265 160 Y HN 0.837 nan 8.280 nan 0.000 0.572 161 N N 5.524 123.961 118.700 -0.438 0.000 2.424 161 N HA 0.115 4.854 4.740 -0.001 0.000 0.271 161 N C 0.418 175.626 175.510 -0.503 0.000 0.985 161 N CA -0.531 52.328 53.050 -0.319 0.000 0.921 161 N CB 1.609 39.995 38.487 -0.168 0.000 1.149 161 N HN 0.851 nan 8.380 nan 0.000 0.492 162 K N 2.707 123.007 120.400 -0.167 0.000 2.032 162 K HA -0.082 4.237 4.320 -0.001 0.000 0.209 162 K C 1.235 177.806 176.600 -0.047 0.000 1.048 162 K CA 1.516 57.802 56.287 -0.001 0.000 0.927 162 K CB -0.127 32.433 32.500 0.101 0.000 0.712 162 K HN 0.387 nan 8.250 nan 0.000 0.441 163 V N 1.182 121.055 119.914 -0.069 0.000 2.255 163 V HA -0.284 3.836 4.120 -0.001 0.000 0.247 163 V C 2.584 178.611 176.094 -0.111 0.000 1.051 163 V CA 2.345 64.605 62.300 -0.067 0.000 1.018 163 V CB -0.631 31.156 31.823 -0.061 0.000 0.641 163 V HN 0.440 nan 8.190 nan 0.000 0.445 164 R N 0.282 120.665 120.500 -0.195 0.000 2.073 164 R HA -0.131 4.208 4.340 -0.001 0.000 0.234 164 R C 2.381 178.546 176.300 -0.224 0.000 1.134 164 R CA 1.885 57.804 56.100 -0.301 0.000 0.952 164 R CB -0.902 29.062 30.300 -0.560 0.000 0.850 164 R HN 0.518 nan 8.270 nan 0.000 0.433 165 G N 0.686 109.408 108.800 -0.130 0.000 2.469 165 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.219 165 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.219 165 G C 0.886 175.818 174.900 0.053 0.000 1.150 165 G CA 1.198 46.352 45.100 0.089 0.000 0.763 165 G HN 0.391 nan 8.290 nan 0.000 0.561 166 D N 0.459 120.880 120.400 0.034 0.000 2.219 166 D HA -0.020 4.619 4.640 -0.001 0.000 0.205 166 D C 2.418 178.721 176.300 0.005 0.000 0.970 166 D CA 0.623 54.644 54.000 0.036 0.000 0.851 166 D CB -0.103 40.725 40.800 0.046 0.000 0.943 166 D HN 0.315 nan 8.370 nan 0.000 0.488 167 K N 0.555 120.939 120.400 -0.027 0.000 2.057 167 K HA -0.066 4.254 4.320 -0.001 0.000 0.207 167 K C 2.205 178.794 176.600 -0.018 0.000 1.049 167 K CA 0.595 56.871 56.287 -0.019 0.000 0.931 167 K CB -0.063 32.405 32.500 -0.053 0.000 0.714 167 K HN 0.023 nan 8.250 nan 0.000 0.440 168 V N 1.943 121.798 119.914 -0.099 0.000 2.295 168 V HA -0.257 3.863 4.120 -0.001 0.000 0.246 168 V C 2.260 178.207 176.094 -0.245 0.000 1.049 168 V CA 1.671 63.855 62.300 -0.194 0.000 1.024 168 V CB -0.428 31.250 31.823 -0.242 0.000 0.648 168 V HN 0.253 nan 8.190 nan 0.000 0.447 169 I N 0.444 120.876 120.570 -0.231 0.000 2.163 169 I HA -0.263 3.907 4.170 -0.001 0.000 0.243 169 I C 2.678 178.832 176.117 0.062 0.000 1.085 169 I CA 1.576 62.808 61.300 -0.114 0.000 1.347 169 I CB -0.590 37.434 38.000 0.041 0.000 1.044 169 I HN 0.294 nan 8.210 nan 0.000 0.408 170 A N 0.055 122.916 122.820 0.069 0.000 1.877 170 A HA -0.292 4.028 4.320 -0.001 0.000 0.216 170 A C 2.296 179.959 177.584 0.132 0.000 1.186 170 A CA 1.594 53.690 52.037 0.098 0.000 0.620 170 A CB -1.198 17.846 19.000 0.072 0.000 0.822 170 A HN 0.496 nan 8.150 nan 0.000 0.443 171 Y N 0.445 120.749 120.300 0.006 0.000 2.081 171 Y HA -0.258 4.292 4.550 -0.001 0.000 0.280 171 Y C 2.745 178.688 175.900 0.073 0.000 1.163 171 Y CA 2.059 60.170 58.100 0.019 0.000 1.135 171 Y CB -0.359 38.085 38.460 -0.026 0.000 0.970 171 Y HN 0.333 nan 8.280 nan 0.000 0.498 172 A N 0.229 123.259 122.820 0.350 0.000 1.972 172 A HA -0.185 4.135 4.320 -0.001 0.000 0.219 172 A C 2.190 179.940 177.584 0.275 0.000 1.169 172 A CA 1.522 53.765 52.037 0.343 0.000 0.635 172 A CB -0.485 18.742 19.000 0.380 0.000 0.810 172 A HN 0.390 nan 8.150 nan 0.000 0.446 173 R N -0.219 120.404 120.500 0.205 0.000 2.075 173 R HA -0.046 4.293 4.340 -0.001 0.000 0.232 173 R C 2.028 178.394 176.300 0.110 0.000 1.126 173 R CA 1.146 57.344 56.100 0.163 0.000 0.963 173 R CB -0.546 29.866 30.300 0.186 0.000 0.858 173 R HN 0.383 nan 8.270 nan 0.000 0.435 174 K N 0.374 120.822 120.400 0.080 0.000 2.063 174 K HA -0.148 4.172 4.320 -0.001 0.000 0.208 174 K C 1.981 178.589 176.600 0.014 0.000 1.048 174 K CA 1.106 57.404 56.287 0.018 0.000 0.928 174 K CB -0.494 31.965 32.500 -0.068 0.000 0.713 174 K HN 0.079 nan 8.250 nan 0.000 0.442 175 F N 1.734 121.634 119.950 -0.085 0.000 2.095 175 F HA -0.181 4.346 4.527 -0.001 0.000 0.298 175 F C 1.933 177.652 175.800 -0.136 0.000 1.104 175 F CA 1.380 59.325 58.000 -0.093 0.000 1.232 175 F CB -0.391 38.585 39.000 -0.040 0.000 0.987 175 F HN -0.072 nan 8.300 nan 0.000 0.475 176 L N -0.160 120.836 121.223 -0.378 0.000 2.093 176 L HA -0.186 4.153 4.340 -0.001 0.000 0.208 176 L C 2.140 178.770 176.870 -0.400 0.000 1.085 176 L CA 1.304 55.733 54.840 -0.685 0.000 0.755 176 L CB -0.936 40.506 42.059 -1.028 0.000 0.904 176 L HN 0.082 nan 8.230 nan 0.000 0.435 177 D N 0.164 120.504 120.400 -0.099 0.000 2.178 177 D HA -0.165 4.474 4.640 -0.001 0.000 0.201 177 D C 1.638 177.917 176.300 -0.034 0.000 0.980 177 D CA 1.171 55.221 54.000 0.084 0.000 0.842 177 D CB -0.053 40.807 40.800 0.100 0.000 0.948 177 D HN 0.285 nan 8.370 nan 0.000 0.472 178 D N -0.991 119.326 120.400 -0.138 0.000 2.323 178 D HA 0.042 4.681 4.640 -0.001 0.000 0.209 178 D C 1.618 177.806 176.300 -0.187 0.000 0.973 178 D CA 0.507 54.431 54.000 -0.127 0.000 0.874 178 D CB 0.400 41.142 40.800 -0.096 0.000 0.930 178 D HN 0.053 nan 8.370 nan 0.000 0.521 179 S N -0.932 114.565 115.700 -0.339 0.000 2.891 179 S HA 0.070 4.540 4.470 -0.001 0.000 0.247 179 S C 1.015 175.471 174.600 -0.239 0.000 1.063 179 S CA -0.187 57.787 58.200 -0.376 0.000 0.857 179 S CB 1.025 63.762 63.200 -0.772 0.000 0.800 179 S HN 0.133 nan 8.310 nan 0.000 0.540 180 V N 1.326 121.109 119.914 -0.219 0.000 2.326 180 V HA 0.469 4.589 4.120 -0.001 0.000 0.254 180 V C -3.156 173.018 176.094 0.132 0.000 1.022 180 V CA -2.563 59.712 62.300 -0.042 0.000 1.074 180 V CB 0.083 31.887 31.823 -0.032 0.000 1.305 180 V HN 0.078 nan 8.190 nan 0.000 0.506 181 P HA 0.218 nan 4.420 nan 0.000 0.268 181 P C 0.205 177.574 177.300 0.115 0.000 1.205 181 P CA -0.015 63.166 63.100 0.135 0.000 0.771 181 P CB 1.343 33.072 31.700 0.049 0.000 0.858 182 L N 1.899 123.149 121.223 0.045 0.000 2.461 182 L HA -0.013 4.326 4.340 -0.001 0.000 0.272 182 L C 2.010 178.847 176.870 -0.054 0.000 1.197 182 L CA -0.055 54.725 54.840 -0.100 0.000 0.836 182 L CB -0.190 41.708 42.059 -0.268 0.000 1.105 182 L HN 0.431 nan 8.230 nan 0.000 0.477 183 S N 0.541 116.204 115.700 -0.061 0.000 2.374 183 S HA -0.142 4.328 4.470 -0.001 0.000 0.227 183 S C 0.716 175.289 174.600 -0.046 0.000 1.037 183 S CA 1.496 59.670 58.200 -0.043 0.000 1.024 183 S CB -0.116 63.055 63.200 -0.047 0.000 0.861 183 S HN 0.737 nan 8.310 nan 0.000 0.456 184 S N -0.884 114.776 115.700 -0.067 0.000 2.543 184 S HA 0.558 5.028 4.470 -0.001 0.000 0.273 184 S C -0.399 174.150 174.600 -0.085 0.000 1.152 184 S CA 0.121 58.284 58.200 -0.061 0.000 0.910 184 S CB 1.052 64.220 63.200 -0.054 0.000 1.105 184 S HN 1.282 nan 8.310 nan 0.000 0.465 185 G N 2.068 110.827 108.800 -0.069 0.000 2.712 185 G HA2 0.200 4.160 3.960 -0.001 0.000 0.683 185 G HA3 0.200 4.160 3.960 -0.001 0.000 0.683 185 G C -0.397 174.455 174.900 -0.080 0.000 1.320 185 G CA -0.198 44.854 45.100 -0.079 0.000 0.847 185 G HN 1.835 nan 8.290 nan 0.000 0.553 186 S N -1.219 114.444 115.700 -0.063 0.000 2.532 186 S HA 0.738 5.207 4.470 -0.001 0.000 0.301 186 S C 1.178 175.770 174.600 -0.015 0.000 1.083 186 S CA 0.081 58.277 58.200 -0.006 0.000 1.025 186 S CB 1.278 64.502 63.200 0.040 0.000 1.056 186 S HN 0.870 nan 8.310 nan 0.000 0.494 187 F N 2.982 122.943 119.950 0.019 0.000 2.154 187 F HA 0.045 4.572 4.527 -0.001 0.000 0.301 187 F C 2.537 178.368 175.800 0.052 0.000 1.087 187 F CA 1.856 59.887 58.000 0.052 0.000 1.274 187 F CB -0.491 38.567 39.000 0.096 0.000 1.009 187 F HN 0.826 nan 8.300 nan 0.000 0.485 188 G N -1.268 107.665 108.800 0.221 0.000 2.653 188 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.212 188 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.212 188 G C 1.068 176.015 174.900 0.079 0.000 1.138 188 G CA 0.958 46.146 45.100 0.148 0.000 0.782 188 G HN 0.279 nan 8.290 nan 0.000 0.535 189 D N -0.151 120.269 120.400 0.033 0.000 2.449 189 D HA 0.233 4.872 4.640 -0.001 0.000 0.210 189 D C 1.676 177.935 176.300 -0.068 0.000 1.094 189 D CA 0.111 54.100 54.000 -0.019 0.000 0.846 189 D CB 0.442 41.219 40.800 -0.039 0.000 1.003 189 D HN 0.257 nan 8.370 nan 0.000 0.504 190 A N 0.999 123.758 122.820 -0.102 0.000 2.613 190 A HA 0.137 4.456 4.320 -0.001 0.000 0.230 190 A C 1.315 178.785 177.584 -0.190 0.000 1.051 190 A CA 0.988 52.883 52.037 -0.237 0.000 0.754 190 A CB 0.132 18.921 19.000 -0.351 0.000 0.979 190 A HN 0.203 nan 8.150 nan 0.000 0.510 191 T N -1.091 113.314 114.554 -0.249 0.000 3.091 191 T HA 0.556 4.906 4.350 -0.001 0.000 0.277 191 T C 0.487 175.086 174.700 -0.167 0.000 0.996 191 T CA 0.622 62.631 62.100 -0.151 0.000 0.897 191 T CB -0.217 68.589 68.868 -0.104 0.000 1.109 191 T HN 2.472 nan 8.240 nan 0.000 0.534 192 G N 0.726 109.314 108.800 -0.353 0.000 2.321 192 G HA2 0.389 4.349 3.960 -0.001 0.000 0.339 192 G HA3 0.389 4.349 3.960 -0.001 0.000 0.339 192 G C -1.702 172.897 174.900 -0.503 0.000 1.518 192 G CA -1.161 43.782 45.100 -0.262 0.000 0.994 192 G HN 0.184 nan 8.290 nan 0.000 0.668 193 F N 0.233 120.185 119.950 0.003 0.000 2.577 193 F HA 0.903 5.430 4.527 -0.001 0.000 0.318 193 F C 0.738 176.511 175.800 -0.044 0.000 1.065 193 F CA -0.327 57.661 58.000 -0.020 0.000 0.929 193 F CB 2.824 41.839 39.000 0.025 0.000 1.237 193 F HN 0.750 nan 8.300 nan 0.000 0.468 194 T N -1.637 112.967 114.554 0.085 0.000 2.816 194 T HA 0.733 5.082 4.350 -0.001 0.000 0.299 194 T C -1.572 173.046 174.700 -0.136 0.000 1.230 194 T CA -0.925 61.159 62.100 -0.026 0.000 1.007 194 T CB 1.725 70.567 68.868 -0.044 0.000 1.289 194 T HN 0.357 nan 8.240 nan 0.000 0.508 195 V N 1.672 121.461 119.914 -0.209 0.000 2.376 195 V HA 0.463 4.582 4.120 -0.001 0.000 0.287 195 V C -0.688 175.312 176.094 -0.157 0.000 1.015 195 V CA -0.655 61.479 62.300 -0.277 0.000 0.834 195 V CB 1.028 32.572 31.823 -0.464 0.000 1.001 195 V HN 0.866 nan 8.190 nan 0.000 0.428 196 Q N 2.753 122.477 119.800 -0.127 0.000 2.331 196 Q HA 0.443 4.783 4.340 -0.001 0.000 0.267 196 Q C -0.161 175.812 176.000 -0.045 0.000 1.006 196 Q CA -0.657 55.105 55.803 -0.068 0.000 0.818 196 Q CB 1.722 30.422 28.738 -0.063 0.000 1.276 196 Q HN 0.704 nan 8.270 nan 0.000 0.450 197 D N 1.786 122.181 120.400 -0.008 0.000 2.723 197 D HA -0.179 4.460 4.640 -0.001 0.000 0.236 197 D C 0.609 176.932 176.300 0.038 0.000 1.138 197 D CA 1.563 55.572 54.000 0.014 0.000 0.676 197 D CB -0.897 39.904 40.800 0.002 0.000 1.069 197 D HN 1.102 nan 8.370 nan 0.000 0.430 198 G N -0.346 108.497 108.800 0.072 0.000 2.187 198 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.261 198 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.261 198 G C 0.122 175.124 174.900 0.171 0.000 1.000 198 G CA 1.005 46.201 45.100 0.159 0.000 0.718 198 G HN 0.523 nan 8.290 nan 0.000 0.519 199 Q N -0.967 118.829 119.800 -0.006 0.000 2.345 199 Q HA 0.637 4.977 4.340 -0.001 0.000 0.268 199 Q C -0.080 175.620 176.000 -0.500 0.000 1.054 199 Q CA -1.200 54.506 55.803 -0.162 0.000 0.835 199 Q CB 2.185 30.866 28.738 -0.095 0.000 1.339 199 Q HN 0.375 nan 8.270 nan 0.000 0.447 200 L N 1.669 122.341 121.223 -0.917 0.000 2.410 200 L HA 0.242 4.582 4.340 -0.001 0.000 0.273 200 L C -1.008 175.646 176.870 -0.360 0.000 1.144 200 L CA 0.065 54.378 54.840 -0.878 0.000 0.863 200 L CB 0.709 42.185 42.059 -0.971 0.000 1.140 200 L HN 0.352 nan 8.230 nan 0.000 0.463 201 V N 6.214 125.983 119.914 -0.241 0.000 2.487 201 V HA 0.458 4.578 4.120 -0.001 0.000 0.298 201 V C -0.542 175.482 176.094 -0.116 0.000 1.028 201 V CA -0.628 61.580 62.300 -0.155 0.000 0.860 201 V CB 1.962 33.705 31.823 -0.133 0.000 0.991 201 V HN 0.539 nan 8.190 nan 0.000 0.427 202 V N 4.633 124.452 119.914 -0.158 0.000 2.378 202 V HA 0.671 4.790 4.120 -0.001 0.000 0.288 202 V C 0.497 176.424 176.094 -0.278 0.000 1.016 202 V CA -0.655 61.492 62.300 -0.255 0.000 0.840 202 V CB 1.632 33.265 31.823 -0.317 0.000 0.994 202 V HN 0.956 nan 8.190 nan 0.000 0.431 203 A N 6.647 129.285 122.820 -0.302 0.000 2.363 203 A HA 0.799 5.118 4.320 -0.001 0.000 0.270 203 A C -0.452 176.996 177.584 -0.227 0.000 1.121 203 A CA -0.106 51.798 52.037 -0.222 0.000 0.800 203 A CB 0.286 19.180 19.000 -0.178 0.000 1.052 203 A HN 0.806 nan 8.150 nan 0.000 0.493 204 L N 2.918 124.042 121.223 -0.165 0.000 2.283 204 L HA 0.479 4.819 4.340 -0.001 0.000 0.259 204 L C -1.257 175.555 176.870 -0.096 0.000 1.027 204 L CA -2.024 52.734 54.840 -0.137 0.000 0.828 204 L CB 2.093 44.073 42.059 -0.131 0.000 1.380 204 L HN 0.525 nan 8.230 nan 0.000 0.425 205 P HA -0.147 nan 4.420 nan 0.000 0.222 205 P C 0.289 177.559 177.300 -0.050 0.000 1.147 205 P CA 1.410 64.477 63.100 -0.054 0.000 0.790 205 P CB 0.423 32.098 31.700 -0.042 0.000 0.780 206 D N -0.792 119.574 120.400 -0.055 0.000 2.469 206 D HA 0.034 4.674 4.640 -0.001 0.000 0.240 206 D C 0.664 176.932 176.300 -0.053 0.000 1.087 206 D CA 0.343 54.315 54.000 -0.048 0.000 0.876 206 D CB 0.534 41.308 40.800 -0.044 0.000 1.160 206 D HN 0.195 nan 8.370 nan 0.000 0.497 207 K N -1.725 118.634 120.400 -0.067 0.000 2.507 207 K HA 0.648 4.968 4.320 -0.001 0.000 0.284 207 K C -1.310 175.236 176.600 -0.089 0.000 1.038 207 K CA -0.939 55.305 56.287 -0.070 0.000 0.903 207 K CB 1.443 33.902 32.500 -0.068 0.000 1.531 207 K HN -0.187 nan 8.250 nan 0.000 0.430 208 S N -0.249 115.397 115.700 -0.088 0.000 2.537 208 S HA 0.608 5.078 4.470 -0.001 0.000 0.301 208 S C -1.306 173.228 174.600 -0.110 0.000 1.092 208 S CA -0.524 57.612 58.200 -0.107 0.000 1.048 208 S CB 1.695 64.840 63.200 -0.093 0.000 1.053 208 S HN 0.564 nan 8.310 nan 0.000 0.501 209 T N 1.421 115.895 114.554 -0.134 0.000 2.993 209 T HA 0.640 4.990 4.350 -0.001 0.000 0.312 209 T C 0.297 174.916 174.700 -0.136 0.000 1.115 209 T CA -0.334 61.688 62.100 -0.130 0.000 1.027 209 T CB 0.955 69.736 68.868 -0.146 0.000 1.116 209 T HN 0.663 nan 8.240 nan 0.000 0.464 210 G N 2.534 111.269 108.800 -0.109 0.000 2.494 210 G HA2 0.599 4.559 3.960 -0.001 0.000 0.270 210 G HA3 0.599 4.559 3.960 -0.001 0.000 0.270 210 G C -0.494 174.355 174.900 -0.085 0.000 1.423 210 G CA -0.791 44.248 45.100 -0.103 0.000 1.055 210 G HN 0.803 nan 8.290 nan 0.000 0.536 211 L N -0.008 121.186 121.223 -0.047 0.000 2.343 211 L HA 0.382 4.721 4.340 -0.001 0.000 0.275 211 L C 1.943 178.814 176.870 0.001 0.000 1.056 211 L CA -0.530 54.309 54.840 -0.002 0.000 0.804 211 L CB 1.713 43.805 42.059 0.055 0.000 1.203 211 L HN 0.635 nan 8.230 nan 0.000 0.440 212 A N 2.268 125.092 122.820 0.008 0.000 1.997 212 A HA -0.191 4.129 4.320 -0.001 0.000 0.221 212 A C 0.746 178.340 177.584 0.018 0.000 1.172 212 A CA 1.771 53.813 52.037 0.009 0.000 0.645 212 A CB -0.511 18.497 19.000 0.013 0.000 0.813 212 A HN 0.792 nan 8.150 nan 0.000 0.454 213 N N -1.468 117.252 118.700 0.033 0.000 2.716 213 N HA 0.384 5.124 4.740 -0.001 0.000 0.253 213 N C -2.512 173.035 175.510 0.061 0.000 1.170 213 N CA -1.460 51.615 53.050 0.041 0.000 0.807 213 N CB 1.526 40.038 38.487 0.042 0.000 1.183 213 N HN -0.095 nan 8.380 nan 0.000 0.524 214 P HA -0.116 nan 4.420 nan 0.000 0.219 214 P C 1.253 178.630 177.300 0.129 0.000 1.144 214 P CA 0.956 64.105 63.100 0.082 0.000 0.806 214 P CB 0.271 32.005 31.700 0.057 0.000 0.771 215 G N -0.770 108.085 108.800 0.091 0.000 2.776 215 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.209 215 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.209 215 G C 1.292 176.244 174.900 0.087 0.000 1.145 215 G CA 0.143 45.292 45.100 0.081 0.000 0.791 215 G HN 0.348 nan 8.290 nan 0.000 0.530 216 Q N -0.928 118.941 119.800 0.115 0.000 2.392 216 Q HA 0.173 4.512 4.340 -0.001 0.000 0.203 216 Q C -0.138 175.984 176.000 0.202 0.000 0.917 216 Q CA -0.566 55.307 55.803 0.116 0.000 0.939 216 Q CB 0.333 29.129 28.738 0.097 0.000 1.063 216 Q HN 0.396 nan 8.270 nan 0.000 0.516 217 F N 0.456 120.441 119.950 0.059 0.000 2.472 217 F HA 0.264 4.791 4.527 -0.001 0.000 0.364 217 F C 0.596 176.446 175.800 0.084 0.000 1.090 217 F CA -0.577 57.472 58.000 0.081 0.000 1.188 217 F CB 0.859 39.905 39.000 0.078 0.000 1.105 217 F HN -0.114 nan 8.300 nan 0.000 0.536 218 A N 3.809 126.460 122.820 -0.281 0.000 2.167 218 A HA 0.684 5.003 4.320 -0.001 0.000 0.208 218 A C 0.864 178.242 177.584 -0.344 0.000 1.198 218 A CA 0.627 52.531 52.037 -0.222 0.000 0.863 218 A CB -0.472 18.566 19.000 0.064 0.000 0.904 218 A HN 1.305 nan 8.150 nan 0.000 0.484 219 G N -1.803 106.591 108.800 -0.677 0.000 2.356 219 G HA2 0.460 4.419 3.960 -0.001 0.000 0.288 219 G HA3 0.460 4.419 3.960 -0.001 0.000 0.288 219 G C -0.954 173.971 174.900 0.041 0.000 1.302 219 G CA -0.063 44.868 45.100 -0.282 0.000 0.887 219 G HN 1.341 nan 8.290 nan 0.000 0.521 220 Y N -2.468 117.884 120.300 0.088 0.000 2.764 220 Y HA 0.848 5.398 4.550 -0.001 0.000 0.331 220 Y C -0.217 175.793 175.900 0.184 0.000 1.280 220 Y CA -0.628 57.584 58.100 0.187 0.000 1.065 220 Y CB 1.217 39.832 38.460 0.258 0.000 1.319 220 Y HN 1.167 nan 8.280 nan 0.000 0.453 221 T N -0.793 113.867 114.554 0.177 0.000 2.906 221 T HA 0.774 5.124 4.350 -0.001 0.000 0.295 221 T C 0.213 174.979 174.700 0.109 0.000 1.061 221 T CA -0.333 61.757 62.100 -0.016 0.000 1.000 221 T CB 1.071 69.893 68.868 -0.077 0.000 1.103 221 T HN 2.292 nan 8.240 nan 0.000 0.486 222 G N 0.784 109.601 108.800 0.028 0.000 2.681 222 G HA2 0.345 4.304 3.960 -0.001 0.000 0.220 222 G HA3 0.345 4.304 3.960 -0.001 0.000 0.220 222 G C 0.065 175.084 174.900 0.198 0.000 1.353 222 G CA -0.249 44.904 45.100 0.089 0.000 0.872 222 G HN 1.811 nan 8.290 nan 0.000 0.557 223 A N -0.151 122.770 122.820 0.168 0.000 2.477 223 A HA 0.752 5.071 4.320 -0.001 0.000 0.246 223 A C 1.826 179.556 177.584 0.244 0.000 1.078 223 A CA 1.116 53.267 52.037 0.189 0.000 0.770 223 A CB 0.447 19.512 19.000 0.108 0.000 1.011 223 A HN 2.527 nan 8.150 nan 0.000 0.494 224 A N 2.228 125.206 122.820 0.264 0.000 1.917 224 A HA -0.169 4.150 4.320 -0.001 0.000 0.219 224 A C 1.704 179.279 177.584 -0.015 0.000 1.182 224 A CA 2.188 54.233 52.037 0.014 0.000 0.633 224 A CB -0.627 18.375 19.000 0.003 0.000 0.819 224 A HN 0.887 nan 8.150 nan 0.000 0.448 225 E N 0.152 120.373 120.200 0.035 0.000 2.219 225 E HA -0.097 4.252 4.350 -0.001 0.000 0.198 225 E C 0.701 177.320 176.600 0.033 0.000 0.998 225 E CA 1.385 57.800 56.400 0.024 0.000 0.818 225 E CB -0.134 29.586 29.700 0.034 0.000 0.741 225 E HN 0.688 nan 8.360 nan 0.000 0.477 226 S N -1.039 114.697 115.700 0.059 0.000 2.612 226 S HA 0.233 4.702 4.470 -0.001 0.000 0.167 226 S C -2.909 171.754 174.600 0.105 0.000 0.961 226 S CA -1.370 56.875 58.200 0.076 0.000 1.085 226 S CB 0.715 63.952 63.200 0.062 0.000 1.477 226 S HN -0.165 nan 8.310 nan 0.000 0.413 227 P HA 0.208 nan 4.420 nan 0.000 0.270 227 P C 1.078 178.453 177.300 0.125 0.000 1.223 227 P CA -0.066 63.141 63.100 0.177 0.000 0.785 227 P CB 0.734 32.559 31.700 0.208 0.000 0.923 228 T N -3.034 111.583 114.554 0.106 0.000 3.057 228 T HA 0.147 4.497 4.350 -0.001 0.000 0.254 228 T C 0.763 175.479 174.700 0.026 0.000 1.094 228 T CA 0.378 62.507 62.100 0.048 0.000 1.088 228 T CB -0.266 68.610 68.868 0.014 0.000 0.934 228 T HN 0.669 nan 8.240 nan 0.000 0.497 229 S N -0.427 115.309 115.700 0.061 0.000 2.552 229 S HA 0.624 5.094 4.470 -0.001 0.000 0.272 229 S C -1.769 172.897 174.600 0.111 0.000 1.150 229 S CA -0.780 57.443 58.200 0.038 0.000 0.849 229 S CB 1.940 65.158 63.200 0.031 0.000 1.113 229 S HN 0.129 nan 8.310 nan 0.000 0.458 230 V N 2.641 122.578 119.914 0.038 0.000 2.487 230 V HA 0.634 4.754 4.120 -0.001 0.000 0.298 230 V C -0.948 175.223 176.094 0.128 0.000 1.028 230 V CA -0.674 61.709 62.300 0.138 0.000 0.860 230 V CB 1.472 33.300 31.823 0.008 0.000 0.991 230 V HN 0.917 nan 8.190 nan 0.000 0.427 231 L N 6.893 128.206 121.223 0.149 0.000 2.282 231 L HA 0.696 5.035 4.340 -0.001 0.000 0.288 231 L C -0.715 176.215 176.870 0.101 0.000 1.033 231 L CA 0.352 55.211 54.840 0.032 0.000 0.807 231 L CB 1.049 42.946 42.059 -0.270 0.000 1.209 231 L HN 0.532 nan 8.230 nan 0.000 0.423 232 L N 5.383 126.696 121.223 0.150 0.000 2.279 232 L HA 0.661 5.001 4.340 -0.001 0.000 0.262 232 L C -0.923 176.024 176.870 0.128 0.000 1.019 232 L CA -0.941 53.993 54.840 0.156 0.000 0.823 232 L CB 2.261 44.402 42.059 0.136 0.000 1.358 232 L HN 0.599 nan 8.230 nan 0.000 0.432 233 I N 1.201 121.802 120.570 0.052 0.000 2.610 233 I HA 0.379 4.548 4.170 -0.001 0.000 0.289 233 I C -1.662 174.446 176.117 -0.015 0.000 1.163 233 I CA -0.078 61.181 61.300 -0.068 0.000 1.044 233 I CB 1.782 39.633 38.000 -0.248 0.000 1.251 233 I HN 0.669 nan 8.210 nan 0.000 0.424 234 N N 6.115 124.830 118.700 0.026 0.000 2.260 234 N HA 0.358 5.097 4.740 -0.001 0.000 0.293 234 N C -0.433 175.068 175.510 -0.015 0.000 1.058 234 N CA -0.340 52.715 53.050 0.007 0.000 0.824 234 N CB 1.331 39.854 38.487 0.059 0.000 1.551 234 N HN 0.937 nan 8.380 nan 0.000 0.475 235 H N 2.049 121.099 119.070 -0.033 0.000 2.781 235 H HA -0.235 4.321 4.556 -0.001 0.000 0.301 235 H C 1.055 176.316 175.328 -0.112 0.000 1.124 235 H CA 0.831 56.836 56.048 -0.072 0.000 1.154 235 H CB -1.033 28.679 29.762 -0.084 0.000 1.355 235 H HN 0.990 nan 8.280 nan 0.000 0.385 236 G N -0.558 108.232 108.800 -0.016 0.000 2.179 236 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.260 236 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.260 236 G C 0.135 174.936 174.900 -0.165 0.000 0.977 236 G CA 0.377 45.424 45.100 -0.089 0.000 0.641 236 G HN 0.394 nan 8.290 nan 0.000 0.533 237 L N 0.549 121.666 121.223 -0.177 0.000 2.329 237 L HA 0.591 4.930 4.340 -0.001 0.000 0.279 237 L C 0.434 177.254 176.870 -0.083 0.000 1.014 237 L CA -1.242 53.502 54.840 -0.160 0.000 0.814 237 L CB 1.352 43.277 42.059 -0.223 0.000 1.257 237 L HN 0.164 nan 8.230 nan 0.000 0.424 238 H N 2.750 121.838 119.070 0.030 0.000 2.562 238 H HA 0.503 5.058 4.556 -0.001 0.000 0.352 238 H C -0.543 174.903 175.328 0.197 0.000 1.125 238 H CA 0.080 56.208 56.048 0.133 0.000 1.379 238 H CB 1.222 31.124 29.762 0.234 0.000 1.464 238 H HN 0.360 nan 8.280 nan 0.000 0.563 239 I N 1.774 122.538 120.570 0.323 0.000 2.466 239 I HA 0.212 4.382 4.170 -0.001 0.000 0.289 239 I C -0.377 175.871 176.117 0.218 0.000 1.026 239 I CA -0.409 61.038 61.300 0.244 0.000 1.078 239 I CB 1.735 39.813 38.000 0.130 0.000 1.249 239 I HN 0.538 nan 8.210 nan 0.000 0.429 240 E N 6.636 126.960 120.200 0.208 0.000 2.187 240 E HA 0.538 4.887 4.350 -0.001 0.000 0.268 240 E C -1.190 175.427 176.600 0.028 0.000 0.896 240 E CA -0.738 55.736 56.400 0.122 0.000 0.766 240 E CB 2.074 31.856 29.700 0.137 0.000 1.142 240 E HN 0.485 nan 8.360 nan 0.000 0.408 241 I N 5.525 126.072 120.570 -0.039 0.000 2.307 241 I HA 0.217 4.386 4.170 -0.001 0.000 0.289 241 I C -0.228 175.811 176.117 -0.130 0.000 1.021 241 I CA -0.517 60.707 61.300 -0.127 0.000 1.224 241 I CB 0.825 38.660 38.000 -0.274 0.000 1.376 241 I HN 0.383 nan 8.210 nan 0.000 0.470 242 L N 7.581 128.730 121.223 -0.122 0.000 2.290 242 L HA 0.447 4.787 4.340 -0.001 0.000 0.284 242 L C -0.357 176.466 176.870 -0.080 0.000 1.078 242 L CA -0.292 54.488 54.840 -0.100 0.000 0.815 242 L CB 1.129 43.117 42.059 -0.117 0.000 1.162 242 L HN 0.490 nan 8.230 nan 0.000 0.435 243 I N 3.940 124.486 120.570 -0.039 0.000 2.362 243 I HA 0.332 4.502 4.170 -0.001 0.000 0.289 243 I C -0.748 175.378 176.117 0.015 0.000 0.994 243 I CA -0.114 61.196 61.300 0.017 0.000 1.158 243 I CB 1.592 39.630 38.000 0.063 0.000 1.315 243 I HN 0.440 nan 8.210 nan 0.000 0.451 244 D N 8.394 128.806 120.400 0.021 0.000 2.354 244 D HA 0.244 4.884 4.640 -0.001 0.000 0.230 244 D C -2.367 173.947 176.300 0.024 0.000 1.361 244 D CA -1.467 52.541 54.000 0.014 0.000 0.992 244 D CB 2.301 43.094 40.800 -0.012 0.000 1.409 244 D HN 0.075 nan 8.370 nan 0.000 0.573 245 P HA 0.101 nan 4.420 nan 0.000 0.247 245 P C 0.101 177.413 177.300 0.021 0.000 1.225 245 P CA 0.519 63.642 63.100 0.038 0.000 0.768 245 P CB 0.391 32.117 31.700 0.044 0.000 1.020 246 E N -0.980 119.225 120.200 0.009 0.000 2.887 246 E HA 0.132 4.481 4.350 -0.001 0.000 0.206 246 E C 0.030 176.621 176.600 -0.016 0.000 0.983 246 E CA 0.079 56.478 56.400 -0.001 0.000 1.141 246 E CB 0.485 30.184 29.700 -0.001 0.000 1.061 246 E HN 0.214 nan 8.360 nan 0.000 0.468 247 S N -0.607 115.080 115.700 -0.022 0.000 2.651 247 S HA 0.256 4.726 4.470 -0.001 0.000 0.291 247 S C 1.155 175.711 174.600 -0.073 0.000 1.141 247 S CA -0.673 57.500 58.200 -0.046 0.000 1.027 247 S CB 2.623 65.795 63.200 -0.048 0.000 1.043 247 S HN -0.035 nan 8.310 nan 0.000 0.530 248 Q N -0.008 119.720 119.800 -0.120 0.000 2.197 248 Q HA -0.150 4.190 4.340 -0.001 0.000 0.211 248 Q C 1.534 177.367 176.000 -0.279 0.000 0.993 248 Q CA 2.108 57.784 55.803 -0.211 0.000 0.883 248 Q CB -0.274 28.292 28.738 -0.286 0.000 0.916 248 Q HN 0.713 nan 8.270 nan 0.000 0.418 249 V N -1.561 118.236 119.914 -0.195 0.000 3.085 249 V HA 0.013 4.132 4.120 -0.001 0.000 0.245 249 V C 2.075 178.190 176.094 0.035 0.000 1.114 249 V CA 1.092 63.339 62.300 -0.088 0.000 1.108 249 V CB -0.050 31.793 31.823 0.033 0.000 0.798 249 V HN 0.432 nan 8.190 nan 0.000 0.471 250 G N 1.477 110.287 108.800 0.016 0.000 2.514 250 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.217 250 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.217 250 G C 1.644 176.575 174.900 0.052 0.000 1.198 250 G CA 1.928 47.055 45.100 0.045 0.000 0.780 250 G HN 0.513 nan 8.290 nan 0.000 0.565 251 T N 0.524 115.094 114.554 0.027 0.000 2.918 251 T HA -0.167 4.183 4.350 -0.001 0.000 0.271 251 T C 2.315 177.044 174.700 0.050 0.000 1.104 251 T CA 2.009 64.128 62.100 0.032 0.000 1.114 251 T CB -0.666 68.212 68.868 0.016 0.000 0.855 251 T HN 0.558 nan 8.240 nan 0.000 0.518 252 T N -1.536 113.057 114.554 0.065 0.000 3.065 252 T HA 0.155 4.504 4.350 -0.001 0.000 0.252 252 T C 0.242 175.004 174.700 0.104 0.000 1.099 252 T CA -0.179 61.975 62.100 0.091 0.000 1.063 252 T CB -0.190 68.753 68.868 0.126 0.000 0.948 252 T HN 0.355 nan 8.240 nan 0.000 0.506 253 D N 0.215 120.681 120.400 0.110 0.000 2.168 253 D HA 0.379 5.018 4.640 -0.001 0.000 0.246 253 D C 1.232 177.594 176.300 0.104 0.000 1.050 253 D CA -0.841 53.237 54.000 0.130 0.000 0.857 253 D CB 1.271 42.173 40.800 0.169 0.000 1.169 253 D HN -0.105 nan 8.370 nan 0.000 0.453 254 R N 2.269 122.828 120.500 0.097 0.000 2.152 254 R HA -0.053 4.287 4.340 -0.001 0.000 0.232 254 R C 0.993 177.323 176.300 0.051 0.000 1.117 254 R CA 1.197 57.334 56.100 0.062 0.000 0.981 254 R CB 0.045 30.373 30.300 0.048 0.000 0.870 254 R HN 0.441 nan 8.270 nan 0.000 0.451 255 A N -0.769 122.107 122.820 0.094 0.000 2.431 255 A HA 0.308 4.627 4.320 -0.001 0.000 0.239 255 A C 1.088 178.779 177.584 0.178 0.000 1.230 255 A CA 0.468 52.565 52.037 0.100 0.000 0.928 255 A CB 0.579 19.641 19.000 0.103 0.000 1.006 255 A HN 0.341 nan 8.150 nan 0.000 0.520 256 G N -0.322 108.567 108.800 0.148 0.000 2.198 256 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.260 256 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.260 256 G C 0.187 175.175 174.900 0.147 0.000 1.025 256 G CA 0.195 45.373 45.100 0.129 0.000 0.769 256 G HN 0.821 nan 8.290 nan 0.000 0.507 257 V N 0.417 120.449 119.914 0.196 0.000 2.529 257 V HA 0.138 4.258 4.120 -0.001 0.000 0.292 257 V C 1.753 177.887 176.094 0.067 0.000 1.028 257 V CA 1.329 63.719 62.300 0.150 0.000 1.074 257 V CB 1.446 33.399 31.823 0.218 0.000 0.958 257 V HN 0.489 nan 8.190 nan 0.000 0.481 258 K N 2.334 122.710 120.400 -0.040 0.000 2.128 258 K HA 0.047 4.366 4.320 -0.001 0.000 0.202 258 K C 0.342 176.763 176.600 -0.298 0.000 1.050 258 K CA 0.879 57.111 56.287 -0.092 0.000 0.966 258 K CB 0.356 32.803 32.500 -0.089 0.000 0.759 258 K HN 0.853 nan 8.250 nan 0.000 0.454 259 D N -1.291 118.788 120.400 -0.535 0.000 2.728 259 D HA 0.141 4.781 4.640 -0.001 0.000 0.249 259 D C -1.875 174.028 176.300 -0.663 0.000 1.225 259 D CA -0.484 52.903 54.000 -1.022 0.000 0.748 259 D CB 2.032 42.543 40.800 -0.481 0.000 1.326 259 D HN -0.194 nan 8.370 nan 0.000 0.426 260 V N 2.948 122.498 119.914 -0.607 0.000 2.384 260 V HA 0.468 4.588 4.120 -0.001 0.000 0.287 260 V C -0.018 176.044 176.094 -0.053 0.000 1.020 260 V CA -0.721 61.488 62.300 -0.153 0.000 0.850 260 V CB 1.383 33.233 31.823 0.046 0.000 0.987 260 V HN 0.412 nan 8.190 nan 0.000 0.436 261 I N 6.237 126.816 120.570 0.015 0.000 2.336 261 I HA 0.425 4.595 4.170 -0.001 0.000 0.292 261 I C -0.199 176.028 176.117 0.183 0.000 0.991 261 I CA -0.253 61.109 61.300 0.104 0.000 1.227 261 I CB 1.527 39.614 38.000 0.145 0.000 1.366 261 I HN 0.388 nan 8.210 nan 0.000 0.466 262 L N 5.306 126.610 121.223 0.135 0.000 2.307 262 L HA 0.375 4.714 4.340 -0.001 0.000 0.284 262 L C 0.643 177.531 176.870 0.030 0.000 1.023 262 L CA -0.664 54.239 54.840 0.106 0.000 0.810 262 L CB 1.559 43.620 42.059 0.004 0.000 1.231 262 L HN 0.592 nan 8.230 nan 0.000 0.423 263 E N 1.932 122.041 120.200 -0.152 0.000 2.292 263 E HA 0.074 4.424 4.350 -0.001 0.000 0.265 263 E C -0.317 176.088 176.600 -0.326 0.000 1.093 263 E CA -0.034 55.982 56.400 -0.640 0.000 0.922 263 E CB 0.692 29.856 29.700 -0.894 0.000 1.001 263 E HN 0.716 nan 8.360 nan 0.000 0.444 264 S N 3.658 119.184 115.700 -0.290 0.000 3.026 264 S HA 0.263 4.732 4.470 -0.001 0.000 0.169 264 S C 0.316 174.814 174.600 -0.170 0.000 0.680 264 S CA 0.021 58.123 58.200 -0.164 0.000 0.826 264 S CB -0.048 63.100 63.200 -0.086 0.000 0.779 264 S HN 0.629 nan 8.310 nan 0.000 0.664 265 A N 2.574 125.322 122.820 -0.119 0.000 2.770 265 A HA 0.288 4.608 4.320 -0.001 0.000 0.292 265 A C 1.049 178.575 177.584 -0.097 0.000 1.604 265 A CA -0.240 51.747 52.037 -0.085 0.000 1.271 265 A CB -1.050 17.926 19.000 -0.040 0.000 1.075 265 A HN 0.438 nan 8.150 nan 0.000 0.573 266 I N 1.588 122.084 120.570 -0.124 0.000 2.142 266 I HA -0.104 4.065 4.170 -0.001 0.000 0.240 266 I C 1.678 177.789 176.117 -0.010 0.000 1.078 266 I CA 1.977 63.215 61.300 -0.103 0.000 1.343 266 I CB -1.863 36.062 38.000 -0.126 0.000 1.046 266 I HN 0.634 nan 8.210 nan 0.000 0.405 267 T N -1.073 113.505 114.554 0.040 0.000 2.918 267 T HA 0.606 4.956 4.350 -0.001 0.000 0.286 267 T C -0.146 174.631 174.700 0.127 0.000 1.026 267 T CA -0.568 61.627 62.100 0.157 0.000 1.031 267 T CB 2.539 71.611 68.868 0.339 0.000 1.046 267 T HN 0.026 nan 8.240 nan 0.000 0.479 268 T N 1.846 116.520 114.554 0.200 0.000 2.861 268 T HA 0.537 4.886 4.350 -0.001 0.000 0.287 268 T C -0.348 174.479 174.700 0.211 0.000 1.003 268 T CA -0.595 61.580 62.100 0.124 0.000 0.977 268 T CB 0.817 69.751 68.868 0.111 0.000 0.996 268 T HN 0.618 nan 8.240 nan 0.000 0.448 269 I N 3.953 124.541 120.570 0.030 0.000 2.304 269 I HA 0.277 4.446 4.170 -0.001 0.000 0.291 269 I C 0.126 176.265 176.117 0.036 0.000 1.018 269 I CA -0.593 60.738 61.300 0.051 0.000 1.260 269 I CB 0.876 38.772 38.000 -0.174 0.000 1.390 269 I HN 0.322 nan 8.210 nan 0.000 0.475 270 M N 5.235 124.907 119.600 0.120 0.000 2.105 270 M HA 0.195 4.674 4.480 -0.001 0.000 0.350 270 M C -0.456 175.812 176.300 -0.054 0.000 1.308 270 M CA -0.288 55.046 55.300 0.057 0.000 1.108 270 M CB 0.222 32.943 32.600 0.201 0.000 1.622 270 M HN 0.358 nan 8.290 nan 0.000 0.468 271 D N 2.095 122.436 120.400 -0.097 0.000 2.274 271 D HA 0.284 4.924 4.640 -0.001 0.000 0.239 271 D C -0.089 176.118 176.300 -0.155 0.000 1.104 271 D CA -0.189 53.772 54.000 -0.065 0.000 0.840 271 D CB 0.580 41.360 40.800 -0.035 0.000 1.100 271 D HN 0.393 nan 8.370 nan 0.000 0.477 272 F N 1.441 121.384 119.950 -0.012 0.000 2.749 272 F HA 0.192 4.718 4.527 -0.001 0.000 0.300 272 F C 1.780 177.609 175.800 0.049 0.000 1.103 272 F CA -0.092 57.906 58.000 -0.004 0.000 1.342 272 F CB 0.412 39.401 39.000 -0.019 0.000 1.098 272 F HN 0.402 nan 8.300 nan 0.000 0.586 273 E N 0.427 120.756 120.200 0.215 0.000 3.281 273 E HA -0.032 4.318 4.350 -0.001 0.000 0.467 273 E C 0.938 177.658 176.600 0.201 0.000 0.293 273 E CA 0.036 56.556 56.400 0.199 0.000 2.729 273 E CB 0.091 29.894 29.700 0.172 0.000 2.276 273 E HN -0.064 nan 8.360 nan 0.000 0.424 274 D N 0.226 120.741 120.400 0.192 0.000 2.280 274 D HA -0.109 4.530 4.640 -0.001 0.000 0.206 274 D C 1.796 178.246 176.300 0.250 0.000 0.988 274 D CA 0.864 54.998 54.000 0.223 0.000 0.886 274 D CB -0.170 40.730 40.800 0.167 0.000 0.914 274 D HN 0.029 nan 8.370 nan 0.000 0.473 275 S N -0.669 115.135 115.700 0.173 0.000 2.453 275 S HA -0.003 4.466 4.470 -0.001 0.000 0.231 275 S C 1.000 175.672 174.600 0.121 0.000 1.005 275 S CA 0.267 58.553 58.200 0.143 0.000 0.949 275 S CB 0.261 63.500 63.200 0.065 0.000 0.774 275 S HN 0.276 nan 8.310 nan 0.000 0.510 276 V N -2.228 117.749 119.914 0.106 0.000 3.001 276 V HA 0.955 5.075 4.120 -0.001 0.000 0.314 276 V C -0.840 175.218 176.094 -0.060 0.000 1.099 276 V CA -1.321 60.963 62.300 -0.027 0.000 0.989 276 V CB 1.740 33.514 31.823 -0.080 0.000 1.040 276 V HN -0.007 nan 8.190 nan 0.000 0.434 277 A N 2.418 125.013 122.820 -0.374 0.000 2.511 277 A HA 0.914 5.234 4.320 -0.001 0.000 0.340 277 A C 0.138 177.468 177.584 -0.423 0.000 1.396 277 A CA 0.045 51.647 52.037 -0.725 0.000 0.887 277 A CB -0.027 17.984 19.000 -1.648 0.000 1.145 277 A HN 2.121 nan 8.150 nan 0.000 0.497 278 A N 1.984 124.688 122.820 -0.193 0.000 2.310 278 A HA 0.572 4.891 4.320 -0.001 0.000 0.304 278 A C 0.432 177.908 177.584 -0.180 0.000 1.231 278 A CA 0.019 51.968 52.037 -0.146 0.000 0.799 278 A CB 0.773 19.746 19.000 -0.046 0.000 1.162 278 A HN 1.774 nan 8.150 nan 0.000 0.486 279 V N -0.654 119.122 119.914 -0.229 0.000 3.380 279 V HA 0.430 4.550 4.120 -0.001 0.000 0.307 279 V C -0.291 175.789 176.094 -0.023 0.000 1.434 279 V CA 0.663 62.804 62.300 -0.264 0.000 1.075 279 V CB -0.723 30.926 31.823 -0.290 0.000 0.954 279 V HN 0.788 nan 8.190 nan 0.000 0.444 280 D N -1.774 118.620 120.400 -0.010 0.000 2.692 280 D HA 0.582 5.222 4.640 -0.001 0.000 0.290 280 D C 0.942 177.256 176.300 0.023 0.000 1.281 280 D CA 0.069 54.087 54.000 0.029 0.000 0.804 280 D CB 1.165 41.980 40.800 0.024 0.000 1.331 280 D HN 0.110 nan 8.370 nan 0.000 0.432 281 A N 0.394 123.240 122.820 0.044 0.000 1.892 281 A HA 0.042 4.361 4.320 -0.001 0.000 0.218 281 A C 2.178 179.766 177.584 0.007 0.000 1.188 281 A CA 3.476 55.542 52.037 0.050 0.000 0.631 281 A CB -1.439 17.602 19.000 0.069 0.000 0.822 281 A HN 0.893 nan 8.150 nan 0.000 0.447 282 A N 0.044 122.862 122.820 -0.003 0.000 1.849 282 A HA -0.268 4.051 4.320 -0.001 0.000 0.217 282 A C 1.838 179.384 177.584 -0.063 0.000 1.202 282 A CA 2.161 54.183 52.037 -0.025 0.000 0.629 282 A CB -0.939 18.049 19.000 -0.018 0.000 0.834 282 A HN 0.480 nan 8.150 nan 0.000 0.447 283 D N -0.607 119.749 120.400 -0.072 0.000 2.106 283 D HA -0.164 4.475 4.640 -0.001 0.000 0.191 283 D C 1.922 178.145 176.300 -0.128 0.000 0.997 283 D CA 1.775 55.712 54.000 -0.105 0.000 0.834 283 D CB -0.310 40.421 40.800 -0.115 0.000 0.956 283 D HN 0.326 nan 8.370 nan 0.000 0.448 284 K N 0.477 120.798 120.400 -0.131 0.000 2.020 284 K HA -0.114 4.206 4.320 -0.001 0.000 0.212 284 K C 2.047 178.408 176.600 -0.400 0.000 1.050 284 K CA 0.738 56.869 56.287 -0.259 0.000 0.929 284 K CB -0.674 31.733 32.500 -0.155 0.000 0.714 284 K HN -0.010 nan 8.250 nan 0.000 0.443 285 V N 0.705 120.484 119.914 -0.225 0.000 2.407 285 V HA -0.195 3.924 4.120 -0.001 0.000 0.248 285 V C 2.242 178.140 176.094 -0.327 0.000 1.055 285 V CA 1.615 63.726 62.300 -0.315 0.000 1.049 285 V CB -0.364 31.321 31.823 -0.229 0.000 0.662 285 V HN 0.313 nan 8.190 nan 0.000 0.455 286 L N 0.420 121.532 121.223 -0.184 0.000 2.131 286 L HA -0.092 4.247 4.340 -0.001 0.000 0.210 286 L C 2.206 179.022 176.870 -0.090 0.000 1.092 286 L CA 1.977 56.745 54.840 -0.120 0.000 0.759 286 L CB -0.529 41.469 42.059 -0.101 0.000 0.903 286 L HN 0.377 nan 8.230 nan 0.000 0.435 287 G N -2.493 106.251 108.800 -0.093 0.000 2.539 287 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.215 287 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.215 287 G C 1.093 176.131 174.900 0.230 0.000 1.141 287 G CA 0.043 45.107 45.100 -0.061 0.000 0.806 287 G HN 0.286 nan 8.290 nan 0.000 0.533 288 Y N 0.810 121.240 120.300 0.217 0.000 2.242 288 Y HA 0.018 4.567 4.550 -0.001 0.000 0.291 288 Y C 2.789 178.830 175.900 0.234 0.000 1.137 288 Y CA 0.802 59.059 58.100 0.261 0.000 1.181 288 Y CB -0.458 37.876 38.460 -0.211 0.000 0.989 288 Y HN 0.173 nan 8.280 nan 0.000 0.527 289 R N 0.672 121.231 120.500 0.098 0.000 2.080 289 R HA -0.177 4.162 4.340 -0.001 0.000 0.236 289 R C 1.856 178.310 176.300 0.255 0.000 1.137 289 R CA 2.189 58.436 56.100 0.246 0.000 0.943 289 R CB -0.502 29.857 30.300 0.097 0.000 0.846 289 R HN 0.432 nan 8.270 nan 0.000 0.431 290 N N -0.506 118.306 118.700 0.187 0.000 2.149 290 N HA -0.233 4.507 4.740 -0.001 0.000 0.188 290 N C 1.502 177.170 175.510 0.264 0.000 1.019 290 N CA 1.219 54.367 53.050 0.163 0.000 0.857 290 N CB -0.316 38.220 38.487 0.081 0.000 0.997 290 N HN 0.425 nan 8.380 nan 0.000 0.426 291 W N 2.140 123.550 121.300 0.182 0.000 2.363 291 W HA -0.144 4.515 4.660 -0.001 0.000 0.296 291 W C 1.930 178.585 176.519 0.227 0.000 1.212 291 W CA 0.549 58.040 57.345 0.243 0.000 1.260 291 W CB -0.198 29.528 29.460 0.444 0.000 1.131 291 W HN 0.101 nan 8.180 nan 0.000 0.530 292 L N 1.866 123.220 121.223 0.219 0.000 2.017 292 L HA 0.012 4.352 4.340 -0.001 0.000 0.208 292 L C 2.486 179.317 176.870 -0.065 0.000 1.073 292 L CA 2.935 57.798 54.840 0.039 0.000 0.745 292 L CB -1.352 40.826 42.059 0.198 0.000 0.894 292 L HN -0.040 nan 8.230 nan 0.000 0.432 293 G N -0.633 108.175 108.800 0.014 0.000 2.443 293 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.219 293 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.219 293 G C 1.552 176.424 174.900 -0.045 0.000 1.131 293 G CA 0.940 46.029 45.100 -0.019 0.000 0.775 293 G HN 0.439 nan 8.290 nan 0.000 0.547 294 L N 0.194 121.387 121.223 -0.050 0.000 2.072 294 L HA -0.009 4.331 4.340 -0.001 0.000 0.205 294 L C 2.684 179.456 176.870 -0.162 0.000 1.079 294 L CA 0.748 55.548 54.840 -0.067 0.000 0.752 294 L CB -0.316 41.737 42.059 -0.009 0.000 0.906 294 L HN 0.168 nan 8.230 nan 0.000 0.436 295 N N -0.015 118.499 118.700 -0.309 0.000 2.188 295 N HA -0.157 4.583 4.740 -0.001 0.000 0.184 295 N C 1.777 177.192 175.510 -0.157 0.000 1.018 295 N CA 1.086 53.946 53.050 -0.317 0.000 0.858 295 N CB 0.089 38.279 38.487 -0.495 0.000 0.989 295 N HN 0.346 nan 8.380 nan 0.000 0.426 296 K N -0.185 120.128 120.400 -0.146 0.000 2.062 296 K HA -0.039 4.280 4.320 -0.001 0.000 0.205 296 K C 1.248 177.796 176.600 -0.087 0.000 1.051 296 K CA 1.160 57.371 56.287 -0.126 0.000 0.941 296 K CB 0.086 32.480 32.500 -0.176 0.000 0.719 296 K HN 0.293 nan 8.250 nan 0.000 0.440 297 G N 1.415 110.169 108.800 -0.077 0.000 2.201 297 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.212 297 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.212 297 G C 0.445 175.322 174.900 -0.037 0.000 0.994 297 G CA 0.466 45.537 45.100 -0.049 0.000 0.644 297 G HN 0.468 nan 8.290 nan 0.000 0.508 298 D N 0.330 120.703 120.400 -0.045 0.000 2.349 298 D HA 0.283 4.922 4.640 -0.001 0.000 0.215 298 D C 1.249 177.539 176.300 -0.017 0.000 1.016 298 D CA -0.397 53.584 54.000 -0.033 0.000 0.870 298 D CB -0.053 40.721 40.800 -0.043 0.000 0.917 298 D HN 0.504 nan 8.370 nan 0.000 0.524 299 L N 1.200 122.416 121.223 -0.011 0.000 2.640 299 L HA 0.287 4.627 4.340 -0.001 0.000 0.280 299 L C -0.127 176.750 176.870 0.012 0.000 1.229 299 L CA 0.174 55.018 54.840 0.007 0.000 0.919 299 L CB -0.040 42.031 42.059 0.021 0.000 1.168 299 L HN 0.234 nan 8.230 nan 0.000 0.496 300 A N 4.514 127.342 122.820 0.014 0.000 2.454 300 A HA 0.965 5.284 4.320 -0.001 0.000 0.302 300 A C -1.123 176.472 177.584 0.019 0.000 1.079 300 A CA -0.093 51.954 52.037 0.017 0.000 0.731 300 A CB 1.650 20.658 19.000 0.013 0.000 1.299 300 A HN 1.193 nan 8.150 nan 0.000 0.413 301 A N 0.567 123.403 122.820 0.026 0.000 2.398 301 A HA 0.806 5.126 4.320 -0.001 0.000 0.301 301 A C -0.010 177.595 177.584 0.036 0.000 1.041 301 A CA 0.090 52.140 52.037 0.023 0.000 0.711 301 A CB 1.045 20.056 19.000 0.018 0.000 1.240 301 A HN 2.365 nan 8.150 nan 0.000 0.420 302 A N 1.615 124.452 122.820 0.028 0.000 2.371 302 A HA 0.659 4.979 4.320 -0.001 0.000 0.257 302 A C 0.165 177.780 177.584 0.053 0.000 1.089 302 A CA -0.150 51.910 52.037 0.039 0.000 0.794 302 A CB 0.278 19.288 19.000 0.016 0.000 1.029 302 A HN 1.221 nan 8.150 nan 0.000 0.488 310 F N -0.311 119.638 119.950 -0.003 0.000 2.450 310 F HA 0.727 5.254 4.527 -0.001 0.000 0.332 310 F C -0.021 175.778 175.800 -0.002 0.000 1.093 310 F CA -1.301 56.698 58.000 -0.003 0.000 1.003 310 F CB 1.621 40.621 39.000 0.000 0.000 1.151 310 F HN 0.091 nan 8.300 nan 0.000 0.474 311 L N 3.258 124.597 121.223 0.193 0.000 2.307 311 L HA 0.503 4.843 4.340 -0.001 0.000 0.284 311 L C -0.352 176.576 176.870 0.096 0.000 1.023 311 L CA -0.576 54.328 54.840 0.106 0.000 0.810 311 L CB 1.325 43.422 42.059 0.062 0.000 1.231 311 L HN 0.633 nan 8.230 nan 0.000 0.423 312 R N 4.877 125.420 120.500 0.072 0.000 2.198 312 R HA 0.644 4.984 4.340 -0.001 0.000 0.339 312 R C -0.996 175.325 176.300 0.036 0.000 1.020 312 R CA -0.530 55.600 56.100 0.050 0.000 0.864 312 R CB 0.711 31.043 30.300 0.053 0.000 1.105 312 R HN 0.631 nan 8.270 nan 0.000 0.463 313 V N 1.931 121.859 119.914 0.025 0.000 3.234 313 V HA 0.562 4.681 4.120 -0.001 0.000 0.317 313 V C -0.060 176.043 176.094 0.016 0.000 1.147 313 V CA -1.270 61.040 62.300 0.016 0.000 1.037 313 V CB 1.372 33.199 31.823 0.006 0.000 1.148 313 V HN 0.595 nan 8.190 nan 0.000 0.455 314 L N 2.098 123.328 121.223 0.013 0.000 2.397 314 L HA 0.352 4.691 4.340 -0.001 0.000 0.271 314 L C 0.458 177.331 176.870 0.005 0.000 1.148 314 L CA -0.236 54.614 54.840 0.017 0.000 0.825 314 L CB 0.127 42.196 42.059 0.016 0.000 1.117 314 L HN 0.680 nan 8.230 nan 0.000 0.456 315 N N 2.926 121.633 118.700 0.013 0.000 2.479 315 N HA 0.123 4.862 4.740 -0.001 0.000 0.257 315 N C -0.088 175.411 175.510 -0.018 0.000 1.232 315 N CA -0.169 52.877 53.050 -0.008 0.000 0.920 315 N CB 0.642 39.135 38.487 0.009 0.000 1.105 315 N HN 0.419 nan 8.380 nan 0.000 0.444 316 R N 0.804 121.273 120.500 -0.052 0.000 2.546 316 R HA 0.250 4.589 4.340 -0.001 0.000 0.266 316 R C -0.352 175.899 176.300 -0.081 0.000 1.086 316 R CA -0.592 55.471 56.100 -0.062 0.000 1.160 316 R CB 0.403 30.654 30.300 -0.082 0.000 1.138 316 R HN 0.456 nan 8.270 nan 0.000 0.567 317 D N 1.383 121.738 120.400 -0.076 0.000 2.382 317 D HA 0.066 4.705 4.640 -0.001 0.000 0.240 317 D C 0.057 176.239 176.300 -0.196 0.000 1.146 317 D CA 0.307 54.253 54.000 -0.089 0.000 0.897 317 D CB 0.634 41.401 40.800 -0.054 0.000 1.197 317 D HN 0.109 nan 8.370 nan 0.000 0.432 318 R N 1.908 122.247 120.500 -0.269 0.000 2.265 318 R HA 0.324 4.663 4.340 -0.001 0.000 0.319 318 R C 0.089 176.037 176.300 -0.587 0.000 1.006 318 R CA -0.633 55.174 56.100 -0.488 0.000 0.880 318 R CB 0.849 30.748 30.300 -0.668 0.000 1.077 318 R HN 0.325 nan 8.270 nan 0.000 0.454 319 N N 2.657 120.955 118.700 -0.670 0.000 2.524 319 N HA 0.279 5.018 4.740 -0.001 0.000 0.283 319 N C -0.891 174.000 175.510 -1.031 0.000 1.142 319 N CA -0.019 52.645 53.050 -0.643 0.000 0.984 319 N CB 1.203 39.449 38.487 -0.402 0.000 1.155 319 N HN 0.403 nan 8.380 nan 0.000 0.467 320 Y N -0.806 119.117 120.300 -0.629 0.000 2.597 320 Y HA 0.221 4.770 4.550 -0.001 0.000 0.340 320 Y C 0.125 175.801 175.900 -0.373 0.000 1.097 320 Y CA -0.901 56.844 58.100 -0.591 0.000 1.037 320 Y CB 1.764 39.699 38.460 -0.876 0.000 1.305 320 Y HN 0.271 nan 8.280 nan 0.000 0.463 321 T N 1.994 116.437 114.554 -0.185 0.000 2.856 321 T HA 0.618 4.967 4.350 -0.001 0.000 0.292 321 T C 0.106 174.851 174.700 0.074 0.000 0.980 321 T CA -0.524 61.453 62.100 -0.205 0.000 1.091 321 T CB 0.841 69.249 68.868 -0.767 0.000 0.936 321 T HN 0.707 nan 8.240 nan 0.000 0.503 322 A N 4.610 127.559 122.820 0.214 0.000 2.286 322 A HA 0.592 4.911 4.320 -0.001 0.000 0.286 322 A C -1.246 176.428 177.584 0.149 0.000 1.097 322 A CA -1.681 50.418 52.037 0.103 0.000 0.821 322 A CB -0.065 18.862 19.000 -0.123 0.000 1.076 322 A HN 0.518 nan 8.150 nan 0.000 0.490 323 P HA -0.229 nan 4.420 nan 0.000 0.218 323 P C 1.593 179.070 177.300 0.295 0.000 1.165 323 P CA 2.541 65.818 63.100 0.295 0.000 0.922 323 P CB 0.026 31.857 31.700 0.218 0.000 0.794 324 G N -2.519 106.378 108.800 0.163 0.000 2.484 324 G HA2 0.126 4.085 3.960 -0.001 0.000 0.218 324 G HA3 0.126 4.085 3.960 -0.001 0.000 0.218 324 G C 1.109 176.093 174.900 0.141 0.000 1.130 324 G CA 0.982 46.160 45.100 0.131 0.000 0.784 324 G HN 0.542 nan 8.290 nan 0.000 0.543 325 G N -1.856 107.036 108.800 0.153 0.000 2.425 325 G HA2 0.122 4.082 3.960 -0.001 0.000 0.177 325 G HA3 0.122 4.082 3.960 -0.001 0.000 0.177 325 G C 0.643 175.594 174.900 0.085 0.000 0.999 325 G CA 0.168 45.354 45.100 0.143 0.000 0.723 325 G HN 0.871 nan 8.290 nan 0.000 0.491 326 G N 0.445 109.289 108.800 0.074 0.000 2.569 326 G HA2 0.514 4.474 3.960 -0.001 0.000 0.249 326 G HA3 0.514 4.474 3.960 -0.001 0.000 0.249 326 G C 0.308 175.275 174.900 0.112 0.000 1.216 326 G CA 0.211 45.353 45.100 0.069 0.000 0.845 326 G HN 0.639 nan 8.290 nan 0.000 0.568 327 Q N 0.014 119.872 119.800 0.097 0.000 2.243 327 Q HA 0.570 4.910 4.340 -0.001 0.000 0.252 327 Q C -0.905 175.231 176.000 0.226 0.000 0.909 327 Q CA -0.386 55.478 55.803 0.102 0.000 0.922 327 Q CB 1.592 30.336 28.738 0.010 0.000 1.215 327 Q HN 0.608 nan 8.270 nan 0.000 0.427 328 F N -1.468 118.469 119.950 -0.021 0.000 2.869 328 F HA 0.792 5.318 4.527 -0.001 0.000 0.325 328 F C -1.297 174.515 175.800 0.021 0.000 1.184 328 F CA -1.023 56.979 58.000 0.003 0.000 0.951 328 F CB 1.948 40.955 39.000 0.011 0.000 1.421 328 F HN 0.334 nan 8.300 nan 0.000 0.501 329 T N 2.477 117.028 114.554 -0.006 0.000 3.011 329 T HA 0.532 4.881 4.350 -0.001 0.000 0.303 329 T C -0.978 173.732 174.700 0.017 0.000 0.997 329 T CA -0.525 61.514 62.100 -0.102 0.000 1.007 329 T CB 1.361 70.205 68.868 -0.041 0.000 1.017 329 T HN 0.573 nan 8.240 nan 0.000 0.443 330 L N 4.898 126.112 121.223 -0.016 0.000 2.334 330 L HA 0.528 4.867 4.340 -0.001 0.000 0.275 330 L C -1.975 174.969 176.870 0.123 0.000 1.036 330 L CA -2.616 52.287 54.840 0.105 0.000 0.807 330 L CB 1.298 43.435 42.059 0.130 0.000 1.231 330 L HN 0.336 nan 8.230 nan 0.000 0.438 331 P HA 0.008 nan 4.420 nan 0.000 0.267 331 P C 0.380 177.874 177.300 0.324 0.000 1.205 331 P CA 0.004 63.215 63.100 0.186 0.000 0.765 331 P CB 0.875 32.674 31.700 0.166 0.000 0.828 332 G N 3.498 112.414 108.800 0.193 0.000 2.880 332 G HA2 0.003 3.963 3.960 -0.001 0.000 0.209 332 G HA3 0.003 3.963 3.960 -0.001 0.000 0.209 332 G C 0.643 175.718 174.900 0.292 0.000 1.157 332 G CA -0.002 45.224 45.100 0.210 0.000 0.779 332 G HN 0.417 nan 8.290 nan 0.000 0.539 333 R N -0.262 120.367 120.500 0.214 0.000 2.750 333 R HA 0.474 4.813 4.340 -0.001 0.000 0.281 333 R C -0.641 175.729 176.300 0.116 0.000 0.972 333 R CA -0.519 55.672 56.100 0.150 0.000 0.912 333 R CB 1.785 32.145 30.300 0.100 0.000 1.187 333 R HN 0.068 nan 8.270 nan 0.000 0.464 334 S N 1.823 117.579 115.700 0.093 0.000 2.537 334 S HA 0.064 4.533 4.470 -0.001 0.000 0.286 334 S C -0.208 174.454 174.600 0.104 0.000 1.299 334 S CA -0.578 57.666 58.200 0.073 0.000 1.067 334 S CB 0.225 63.466 63.200 0.068 0.000 0.864 334 S HN 0.377 nan 8.310 nan 0.000 0.494 335 L N 7.052 128.335 121.223 0.101 0.000 2.418 335 L HA 0.360 4.700 4.340 -0.001 0.000 0.274 335 L C -0.243 176.737 176.870 0.184 0.000 1.135 335 L CA 0.689 55.597 54.840 0.115 0.000 0.870 335 L CB 0.113 42.209 42.059 0.060 0.000 1.154 335 L HN 0.693 nan 8.230 nan 0.000 0.462 336 M N 5.315 125.053 119.600 0.229 0.000 2.233 336 M HA 0.369 4.849 4.480 -0.001 0.000 0.355 336 M C -0.726 175.827 176.300 0.422 0.000 1.191 336 M CA -0.036 55.485 55.300 0.368 0.000 1.101 336 M CB 0.855 33.712 32.600 0.427 0.000 1.592 336 M HN 0.389 nan 8.290 nan 0.000 0.461 337 F N 0.991 121.138 119.950 0.329 0.000 2.457 337 F HA 0.689 5.216 4.527 -0.001 0.000 0.330 337 F C -0.021 175.894 175.800 0.192 0.000 1.069 337 F CA -0.919 57.275 58.000 0.324 0.000 1.009 337 F CB 1.278 40.437 39.000 0.266 0.000 1.276 337 F HN 0.230 nan 8.300 nan 0.000 0.492 338 V N 2.450 122.485 119.914 0.202 0.000 2.531 338 V HA 0.510 4.630 4.120 -0.001 0.000 0.301 338 V C -0.758 175.389 176.094 0.089 0.000 1.034 338 V CA -0.852 61.360 62.300 -0.146 0.000 0.865 338 V CB 1.504 32.768 31.823 -0.931 0.000 0.995 338 V HN 0.749 nan 8.190 nan 0.000 0.424 339 R N 5.744 126.327 120.500 0.138 0.000 2.242 339 R HA 0.370 4.709 4.340 -0.001 0.000 0.334 339 R C 0.397 176.824 176.300 0.212 0.000 1.071 339 R CA 0.044 56.256 56.100 0.187 0.000 0.922 339 R CB 0.203 30.611 30.300 0.180 0.000 1.023 339 R HN 0.911 nan 8.270 nan 0.000 0.458 340 N N 1.297 120.089 118.700 0.154 0.000 2.327 340 N HA 0.094 4.833 4.740 -0.001 0.000 0.257 340 N C -0.123 175.466 175.510 0.133 0.000 1.281 340 N CA -0.577 52.536 53.050 0.105 0.000 0.942 340 N CB 0.873 39.421 38.487 0.102 0.000 1.199 340 N HN 0.321 nan 8.380 nan 0.000 0.532 341 V N -1.452 118.530 119.914 0.113 0.000 2.904 341 V HA 0.570 4.689 4.120 -0.001 0.000 0.305 341 V C 1.005 177.126 176.094 0.045 0.000 1.067 341 V CA -0.723 61.635 62.300 0.098 0.000 1.044 341 V CB 0.666 32.559 31.823 0.115 0.000 1.050 341 V HN 0.683 nan 8.190 nan 0.000 0.475 342 G N 0.276 109.062 108.800 -0.024 0.000 2.525 342 G HA2 0.180 4.139 3.960 -0.001 0.000 0.276 342 G HA3 0.180 4.139 3.960 -0.001 0.000 0.276 342 G C 0.440 175.305 174.900 -0.058 0.000 1.388 342 G CA -0.098 44.922 45.100 -0.133 0.000 1.050 342 G HN 0.930 nan 8.290 nan 0.000 0.520 343 H N -0.902 118.148 119.070 -0.033 0.000 2.556 343 H HA 0.047 4.603 4.556 -0.001 0.000 0.268 343 H C 2.105 177.351 175.328 -0.137 0.000 0.996 343 H CA 0.107 56.096 56.048 -0.098 0.000 1.157 343 H CB 0.069 29.752 29.762 -0.131 0.000 1.355 343 H HN 0.211 nan 8.280 nan 0.000 0.597 344 L N -0.193 121.041 121.223 0.017 0.000 1.971 344 L HA 0.013 4.353 4.340 -0.001 0.000 0.208 344 L C 0.872 177.853 176.870 0.185 0.000 1.083 344 L CA 1.209 56.066 54.840 0.028 0.000 0.753 344 L CB -0.128 41.845 42.059 -0.143 0.000 0.893 344 L HN -0.021 nan 8.230 nan 0.000 0.436 345 M N 0.521 120.189 119.600 0.114 0.000 2.242 345 M HA 0.215 4.695 4.480 -0.001 0.000 0.344 345 M C 0.469 176.911 176.300 0.236 0.000 1.140 345 M CA 0.178 55.542 55.300 0.106 0.000 1.160 345 M CB 0.297 32.865 32.600 -0.053 0.000 1.491 345 M HN 0.457 nan 8.290 nan 0.000 0.459 346 T N -0.572 114.047 114.554 0.108 0.000 2.910 346 T HA 0.556 4.905 4.350 -0.001 0.000 0.279 346 T C -0.275 174.483 174.700 0.097 0.000 0.989 346 T CA -0.890 61.232 62.100 0.037 0.000 0.968 346 T CB 2.112 70.876 68.868 -0.174 0.000 1.135 346 T HN 0.688 nan 8.240 nan 0.000 0.562 347 N N -0.821 117.940 118.700 0.102 0.000 2.367 347 N HA 0.140 4.880 4.740 -0.001 0.000 0.278 347 N C 0.065 175.644 175.510 0.116 0.000 1.117 347 N CA -0.394 52.743 53.050 0.145 0.000 0.867 347 N CB 2.407 41.008 38.487 0.190 0.000 1.649 347 N HN 0.713 nan 8.380 nan 0.000 0.479 348 D N 2.225 122.691 120.400 0.110 0.000 2.191 348 D HA -0.263 4.377 4.640 -0.001 0.000 0.190 348 D C 1.628 177.988 176.300 0.099 0.000 1.007 348 D CA 2.012 56.065 54.000 0.088 0.000 0.865 348 D CB -0.010 40.837 40.800 0.079 0.000 0.929 348 D HN 0.703 nan 8.370 nan 0.000 0.447 349 A N 1.200 124.097 122.820 0.129 0.000 1.887 349 A HA -0.240 4.079 4.320 -0.001 0.000 0.225 349 A C 1.538 179.219 177.584 0.162 0.000 1.464 349 A CA 1.924 54.056 52.037 0.158 0.000 0.717 349 A CB -0.648 18.487 19.000 0.225 0.000 0.848 349 A HN 0.508 nan 8.150 nan 0.000 0.477 350 I N -0.930 119.750 120.570 0.183 0.000 2.436 350 I HA 0.603 4.772 4.170 -0.001 0.000 0.289 350 I C -0.590 175.589 176.117 0.103 0.000 1.010 350 I CA -1.081 60.313 61.300 0.157 0.000 1.098 350 I CB 2.125 40.267 38.000 0.237 0.000 1.266 350 I HN 0.348 nan 8.210 nan 0.000 0.434 351 V N 3.243 123.195 119.914 0.063 0.000 3.103 351 V HA 0.566 4.686 4.120 -0.001 0.000 0.318 351 V C 0.055 176.163 176.094 0.023 0.000 1.114 351 V CA -0.705 61.616 62.300 0.035 0.000 1.020 351 V CB 1.655 33.491 31.823 0.021 0.000 1.085 351 V HN 0.846 nan 8.190 nan 0.000 0.446 352 D N 0.774 121.180 120.400 0.009 0.000 2.372 352 D HA 0.089 4.729 4.640 -0.001 0.000 0.243 352 D C 1.309 177.610 176.300 0.002 0.000 1.297 352 D CA 0.790 54.793 54.000 0.005 0.000 0.958 352 D CB 1.795 42.592 40.800 -0.005 0.000 1.114 352 D HN 0.898 nan 8.370 nan 0.000 0.496 353 T N -1.095 113.459 114.554 0.000 0.000 2.777 353 T HA -0.130 4.219 4.350 -0.001 0.000 0.266 353 T C 1.058 175.756 174.700 -0.004 0.000 1.040 353 T CA 0.793 62.891 62.100 -0.003 0.000 1.141 353 T CB -0.036 68.830 68.868 -0.003 0.000 0.868 353 T HN 0.359 nan 8.240 nan 0.000 0.444 354 D N 1.422 121.820 120.400 -0.003 0.000 2.348 354 D HA 0.145 4.784 4.640 -0.001 0.000 0.216 354 D C 1.789 178.086 176.300 -0.005 0.000 0.970 354 D CA 1.065 55.063 54.000 -0.004 0.000 0.889 354 D CB -0.259 40.539 40.800 -0.004 0.000 0.912 354 D HN 0.664 nan 8.370 nan 0.000 0.524 355 G N 0.385 109.182 108.800 -0.005 0.000 2.179 355 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.220 355 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.220 355 G C 0.325 175.219 174.900 -0.010 0.000 0.990 355 G CA 0.033 45.131 45.100 -0.004 0.000 0.646 355 G HN 0.273 nan 8.290 nan 0.000 0.517 356 S N 1.846 117.534 115.700 -0.020 0.000 2.533 356 S HA 0.381 4.850 4.470 -0.001 0.000 0.282 356 S C 0.586 175.159 174.600 -0.045 0.000 1.304 356 S CA -0.003 58.172 58.200 -0.042 0.000 1.063 356 S CB 0.700 63.866 63.200 -0.056 0.000 0.881 356 S HN 0.558 nan 8.310 nan 0.000 0.493 357 E N 1.509 121.674 120.200 -0.060 0.000 2.390 357 E HA 0.214 4.564 4.350 -0.001 0.000 0.261 357 E C -0.472 176.062 176.600 -0.110 0.000 1.076 357 E CA -0.611 55.760 56.400 -0.048 0.000 0.905 357 E CB 0.470 30.155 29.700 -0.025 0.000 0.984 357 E HN 0.244 nan 8.360 nan 0.000 0.427 358 V N 2.724 122.620 119.914 -0.031 0.000 2.649 358 V HA 0.054 4.173 4.120 -0.001 0.000 0.292 358 V C 0.068 176.165 176.094 0.005 0.000 1.055 358 V CA -0.272 62.022 62.300 -0.011 0.000 1.023 358 V CB 0.122 32.008 31.823 0.105 0.000 0.992 358 V HN 0.518 nan 8.190 nan 0.000 0.480 359 F N 2.719 122.728 119.950 0.098 0.000 2.593 359 F HA -0.046 4.480 4.527 -0.001 0.000 0.393 359 F C 1.670 177.546 175.800 0.127 0.000 1.037 359 F CA 0.613 58.675 58.000 0.104 0.000 1.195 359 F CB 0.238 39.303 39.000 0.108 0.000 1.034 359 F HN 0.687 nan 8.300 nan 0.000 0.552 360 E N 2.971 123.373 120.200 0.335 0.000 2.085 360 E HA -0.185 4.164 4.350 -0.001 0.000 0.194 360 E C 2.301 179.046 176.600 0.242 0.000 0.994 360 E CA 1.165 57.722 56.400 0.262 0.000 0.801 360 E CB -0.124 29.709 29.700 0.223 0.000 0.743 360 E HN 0.959 nan 8.360 nan 0.000 0.453 361 G N 1.089 110.040 108.800 0.251 0.000 2.422 361 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.218 361 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.218 361 G C 1.566 176.580 174.900 0.191 0.000 1.146 361 G CA 0.671 45.897 45.100 0.210 0.000 0.769 361 G HN 0.211 nan 8.290 nan 0.000 0.547 362 I N 0.182 120.877 120.570 0.208 0.000 2.252 362 I HA -0.160 4.009 4.170 -0.001 0.000 0.245 362 I C 2.912 179.050 176.117 0.036 0.000 1.102 362 I CA 1.033 62.408 61.300 0.127 0.000 1.385 362 I CB -0.219 37.879 38.000 0.164 0.000 1.064 362 I HN 0.176 nan 8.210 nan 0.000 0.414 363 M N 0.132 119.783 119.600 0.084 0.000 2.175 363 M HA -0.199 4.280 4.480 -0.001 0.000 0.264 363 M C 1.799 178.116 176.300 0.028 0.000 1.063 363 M CA 1.609 56.910 55.300 0.001 0.000 1.119 363 M CB -0.442 32.333 32.600 0.291 0.000 1.377 363 M HN 0.154 nan 8.290 nan 0.000 0.415 364 D N 0.742 121.231 120.400 0.147 0.000 2.087 364 D HA -0.139 4.500 4.640 -0.001 0.000 0.192 364 D C 1.989 178.284 176.300 -0.008 0.000 0.993 364 D CA 1.858 55.916 54.000 0.097 0.000 0.828 364 D CB -0.344 40.468 40.800 0.021 0.000 0.968 364 D HN 0.314 nan 8.370 nan 0.000 0.448 365 A N 0.409 123.235 122.820 0.011 0.000 1.940 365 A HA -0.222 4.098 4.320 -0.001 0.000 0.221 365 A C 2.427 179.930 177.584 -0.134 0.000 1.190 365 A CA 1.453 53.474 52.037 -0.027 0.000 0.647 365 A CB -0.893 18.162 19.000 0.092 0.000 0.821 365 A HN 0.261 nan 8.150 nan 0.000 0.457 366 L N -2.402 118.687 121.223 -0.222 0.000 2.007 366 L HA -0.066 4.273 4.340 -0.001 0.000 0.205 366 L C 2.531 179.257 176.870 -0.241 0.000 1.073 366 L CA 1.465 56.102 54.840 -0.337 0.000 0.744 366 L CB -0.471 41.210 42.059 -0.630 0.000 0.898 366 L HN 0.476 nan 8.230 nan 0.000 0.435 367 F N -1.503 118.394 119.950 -0.088 0.000 2.259 367 F HA -0.157 4.370 4.527 -0.001 0.000 0.298 367 F C 2.667 178.353 175.800 -0.190 0.000 1.088 367 F CA 0.932 58.785 58.000 -0.246 0.000 1.358 367 F CB -0.447 38.122 39.000 -0.719 0.000 1.040 367 F HN -0.008 nan 8.300 nan 0.000 0.505 368 T N -0.445 114.125 114.554 0.027 0.000 2.896 368 T HA -0.022 4.327 4.350 -0.001 0.000 0.263 368 T C 2.258 177.098 174.700 0.234 0.000 1.050 368 T CA 1.237 63.416 62.100 0.132 0.000 1.140 368 T CB -0.649 68.150 68.868 -0.115 0.000 0.877 368 T HN 0.385 nan 8.240 nan 0.000 0.457 369 G N 1.730 110.554 108.800 0.040 0.000 2.480 369 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.216 369 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.216 369 G C 1.520 176.426 174.900 0.010 0.000 1.200 369 G CA 1.171 46.257 45.100 -0.023 0.000 0.782 369 G HN 0.514 nan 8.290 nan 0.000 0.554 370 L N 0.406 121.630 121.223 0.002 0.000 2.042 370 L HA -0.005 4.335 4.340 -0.001 0.000 0.210 370 L C 2.653 179.470 176.870 -0.088 0.000 1.076 370 L CA 1.619 56.417 54.840 -0.069 0.000 0.749 370 L CB -0.347 41.656 42.059 -0.093 0.000 0.893 370 L HN 0.252 nan 8.230 nan 0.000 0.432 371 I N 0.100 120.712 120.570 0.070 0.000 2.226 371 I HA -0.284 3.886 4.170 -0.001 0.000 0.245 371 I C 2.616 178.745 176.117 0.020 0.000 1.100 371 I CA 1.312 62.691 61.300 0.131 0.000 1.374 371 I CB -0.524 37.683 38.000 0.344 0.000 1.057 371 I HN 0.421 nan 8.210 nan 0.000 0.413 372 A N 0.615 123.492 122.820 0.095 0.000 2.070 372 A HA -0.154 4.166 4.320 -0.001 0.000 0.220 372 A C 2.254 179.766 177.584 -0.119 0.000 1.159 372 A CA 1.053 53.084 52.037 -0.010 0.000 0.656 372 A CB -0.806 18.340 19.000 0.244 0.000 0.800 372 A HN 0.414 nan 8.150 nan 0.000 0.453 373 I N -0.458 120.003 120.570 -0.183 0.000 2.113 373 I HA -0.347 3.822 4.170 -0.001 0.000 0.242 373 I C 2.187 178.143 176.117 -0.268 0.000 1.064 373 I CA 1.736 62.876 61.300 -0.267 0.000 1.320 373 I CB -0.970 36.804 38.000 -0.377 0.000 1.028 373 I HN 0.473 nan 8.210 nan 0.000 0.406 374 H N 0.320 119.304 119.070 -0.144 0.000 2.489 374 H HA -0.086 4.469 4.556 -0.001 0.000 0.295 374 H C 2.064 177.305 175.328 -0.146 0.000 1.082 374 H CA 1.351 57.313 56.048 -0.144 0.000 1.295 374 H CB -0.492 29.175 29.762 -0.158 0.000 1.380 374 H HN 0.422 nan 8.280 nan 0.000 0.548 375 G N 0.034 108.787 108.800 -0.077 0.000 3.233 375 G HA2 0.205 4.165 3.960 -0.001 0.000 0.227 375 G HA3 0.205 4.165 3.960 -0.001 0.000 0.227 375 G C 1.215 176.068 174.900 -0.078 0.000 1.175 375 G CA -0.186 44.852 45.100 -0.104 0.000 0.781 375 G HN 0.282 nan 8.290 nan 0.000 0.542 376 L N -1.604 119.573 121.223 -0.077 0.000 2.817 376 L HA 0.462 4.801 4.340 -0.001 0.000 0.248 376 L C 0.756 177.593 176.870 -0.054 0.000 1.133 376 L CA 0.204 55.002 54.840 -0.071 0.000 0.935 376 L CB 0.366 42.368 42.059 -0.096 0.000 1.266 376 L HN -0.072 nan 8.230 nan 0.000 0.535 377 K N 0.441 120.814 120.400 -0.046 0.000 2.495 377 K HA 0.725 5.044 4.320 -0.001 0.000 0.268 377 K C -0.974 175.611 176.600 -0.024 0.000 1.008 377 K CA -0.500 55.767 56.287 -0.035 0.000 0.882 377 K CB 2.720 35.196 32.500 -0.040 0.000 1.443 377 K HN -0.159 nan 8.250 nan 0.000 0.447 378 A N 1.391 124.198 122.820 -0.022 0.000 3.214 378 A HA 0.268 4.587 4.320 -0.001 0.000 0.304 378 A C -0.177 177.394 177.584 -0.022 0.000 0.969 378 A CA -0.371 51.653 52.037 -0.022 0.000 0.986 378 A CB -0.077 18.910 19.000 -0.021 0.000 1.073 378 A HN 0.572 nan 8.150 nan 0.000 0.487 379 S N -0.890 114.799 115.700 -0.019 0.000 2.719 379 S HA 0.442 4.911 4.470 -0.001 0.000 0.285 379 S C 0.392 174.977 174.600 -0.025 0.000 1.137 379 S CA -0.084 58.104 58.200 -0.020 0.000 1.012 379 S CB 0.772 63.962 63.200 -0.016 0.000 1.134 379 S HN 0.203 nan 8.310 nan 0.000 0.544 380 D N 0.672 121.056 120.400 -0.026 0.000 2.078 380 D HA -0.087 4.553 4.640 -0.001 0.000 0.193 380 D C 2.095 178.371 176.300 -0.040 0.000 0.990 380 D CA 1.675 55.656 54.000 -0.032 0.000 0.827 380 D CB -0.972 39.810 40.800 -0.029 0.000 0.975 380 D HN 0.387 nan 8.370 nan 0.000 0.451 381 V N 1.090 120.984 119.914 -0.033 0.000 2.427 381 V HA -0.148 3.972 4.120 -0.001 0.000 0.248 381 V C 1.833 177.897 176.094 -0.050 0.000 1.051 381 V CA 1.432 63.708 62.300 -0.040 0.000 1.048 381 V CB -0.571 31.242 31.823 -0.016 0.000 0.666 381 V HN 0.139 nan 8.190 nan 0.000 0.456 382 N N 0.639 119.342 118.700 0.006 0.000 2.409 382 N HA 0.172 4.912 4.740 -0.001 0.000 0.179 382 N C 1.097 176.578 175.510 -0.049 0.000 1.032 382 N CA 1.204 54.292 53.050 0.064 0.000 0.898 382 N CB 0.362 38.907 38.487 0.097 0.000 0.971 382 N HN 0.672 nan 8.380 nan 0.000 0.441 383 G N 0.864 109.628 108.800 -0.060 0.000 2.699 383 G HA2 -0.147 3.813 3.960 -0.001 0.000 0.686 383 G HA3 -0.147 3.813 3.960 -0.001 0.000 0.686 383 G C -2.187 172.686 174.900 -0.045 0.000 1.301 383 G CA -0.390 44.670 45.100 -0.067 0.000 0.816 383 G HN -0.010 nan 8.290 nan 0.000 0.595 384 P HA 0.086 nan 4.420 nan 0.000 0.222 384 P C 0.868 178.149 177.300 -0.031 0.000 1.153 384 P CA 0.860 63.940 63.100 -0.035 0.000 0.798 384 P CB 0.211 31.890 31.700 -0.035 0.000 0.796 385 L N 1.826 123.029 121.223 -0.033 0.000 2.272 385 L HA 0.410 4.749 4.340 -0.001 0.000 0.289 385 L C 0.831 177.685 176.870 -0.027 0.000 1.032 385 L CA -1.112 53.712 54.840 -0.026 0.000 0.810 385 L CB 1.412 43.457 42.059 -0.023 0.000 1.205 385 L HN -0.083 nan 8.230 nan 0.000 0.422 386 I N 1.430 121.990 120.570 -0.017 0.000 2.440 386 I HA 0.231 4.400 4.170 -0.001 0.000 0.294 386 I C 0.106 176.222 176.117 -0.003 0.000 0.995 386 I CA -0.219 61.071 61.300 -0.017 0.000 1.306 386 I CB 1.686 39.678 38.000 -0.014 0.000 1.407 386 I HN 0.780 nan 8.210 nan 0.000 0.501 387 N N 3.708 122.403 118.700 -0.008 0.000 2.413 387 N HA -0.066 4.673 4.740 -0.001 0.000 0.193 387 N C 0.579 176.124 175.510 0.059 0.000 1.043 387 N CA 0.289 53.353 53.050 0.023 0.000 0.910 387 N CB 0.461 38.951 38.487 0.005 0.000 1.111 387 N HN 0.720 nan 8.380 nan 0.000 0.452 388 S N 1.130 116.854 115.700 0.042 0.000 2.420 388 S HA 0.197 4.667 4.470 -0.001 0.000 0.313 388 S C 1.015 175.631 174.600 0.025 0.000 1.079 388 S CA -0.844 57.396 58.200 0.067 0.000 1.104 388 S CB 0.789 63.993 63.200 0.007 0.000 0.969 388 S HN 0.368 nan 8.310 nan 0.000 0.471 389 R N 3.083 123.610 120.500 0.044 0.000 2.313 389 R HA 0.023 4.362 4.340 -0.001 0.000 0.199 389 R C 0.826 177.138 176.300 0.020 0.000 0.958 389 R CA 1.063 57.179 56.100 0.026 0.000 1.047 389 R CB -0.912 29.409 30.300 0.035 0.000 0.955 389 R HN 0.665 nan 8.270 nan 0.000 0.481 390 T N -4.044 110.526 114.554 0.025 0.000 3.023 390 T HA 0.272 4.622 4.350 -0.001 0.000 0.253 390 T C 1.095 175.783 174.700 -0.020 0.000 1.038 390 T CA 0.272 62.381 62.100 0.015 0.000 0.962 390 T CB 0.611 69.505 68.868 0.044 0.000 1.018 390 T HN 0.368 nan 8.240 nan 0.000 0.521 391 G N 0.563 109.334 108.800 -0.048 0.000 2.207 391 G HA2 -0.124 3.836 3.960 -0.001 0.000 0.216 391 G HA3 -0.124 3.836 3.960 -0.001 0.000 0.216 391 G C -0.117 174.691 174.900 -0.154 0.000 1.053 391 G CA -0.083 44.964 45.100 -0.088 0.000 0.764 391 G HN 0.686 nan 8.290 nan 0.000 0.495 392 S N -0.973 114.577 115.700 -0.251 0.000 2.566 392 S HA 0.813 5.282 4.470 -0.001 0.000 0.298 392 S C 0.010 174.206 174.600 -0.672 0.000 1.083 392 S CA -0.617 57.299 58.200 -0.473 0.000 0.978 392 S CB 1.655 64.490 63.200 -0.608 0.000 1.073 392 S HN 0.431 nan 8.310 nan 0.000 0.491 393 I N 2.640 122.843 120.570 -0.612 0.000 2.382 393 I HA 0.337 4.506 4.170 -0.001 0.000 0.286 393 I C -1.406 174.429 176.117 -0.470 0.000 1.002 393 I CA -0.508 60.522 61.300 -0.450 0.000 1.135 393 I CB 0.979 38.846 38.000 -0.221 0.000 1.288 393 I HN 0.594 nan 8.210 nan 0.000 0.448 394 Y N 6.817 127.074 120.300 -0.071 0.000 2.353 394 Y HA 0.566 5.115 4.550 -0.001 0.000 0.340 394 Y C 0.063 176.009 175.900 0.077 0.000 0.972 394 Y CA -0.653 57.364 58.100 -0.138 0.000 1.157 394 Y CB 0.974 39.029 38.460 -0.675 0.000 1.157 394 Y HN 0.348 nan 8.280 nan 0.000 0.495 395 I N 4.306 125.050 120.570 0.291 0.000 2.410 395 I HA 0.257 4.426 4.170 -0.001 0.000 0.286 395 I C -0.804 175.516 176.117 0.338 0.000 1.009 395 I CA -0.993 60.484 61.300 0.296 0.000 1.111 395 I CB 1.556 39.686 38.000 0.216 0.000 1.262 395 I HN 0.292 nan 8.210 nan 0.000 0.443 396 V N 6.089 126.199 119.914 0.326 0.000 2.470 396 V HA 0.118 4.237 4.120 -0.001 0.000 0.276 396 V C 0.244 176.457 176.094 0.198 0.000 1.040 396 V CA -0.116 62.323 62.300 0.231 0.000 1.008 396 V CB 0.902 32.919 31.823 0.322 0.000 0.990 396 V HN 0.521 nan 8.190 nan 0.000 0.477 397 K N 8.743 129.221 120.400 0.130 0.000 2.389 397 K HA 0.519 4.838 4.320 -0.001 0.000 0.261 397 K C -2.654 173.973 176.600 0.044 0.000 1.014 397 K CA -2.129 54.198 56.287 0.066 0.000 0.920 397 K CB 1.497 33.983 32.500 -0.024 0.000 1.149 397 K HN 0.355 nan 8.250 nan 0.000 0.444 398 P HA 0.288 nan 4.420 nan 0.000 0.283 398 P C -1.067 176.219 177.300 -0.022 0.000 1.271 398 P CA -0.409 62.725 63.100 0.056 0.000 0.841 398 P CB 0.759 32.518 31.700 0.098 0.000 1.122 399 K N -1.017 119.391 120.400 0.013 0.000 3.129 399 K HA -0.154 4.166 4.320 -0.001 0.000 0.273 399 K C 0.020 176.636 176.600 0.026 0.000 1.123 399 K CA 0.543 56.850 56.287 0.034 0.000 0.800 399 K CB -1.772 30.733 32.500 0.009 0.000 1.238 399 K HN 0.544 nan 8.250 nan 0.000 0.492 400 M N 1.010 120.584 119.600 -0.043 0.000 2.211 400 M HA 0.134 4.614 4.480 -0.001 0.000 0.356 400 M C 0.450 176.730 176.300 -0.033 0.000 1.216 400 M CA 0.125 55.420 55.300 -0.009 0.000 1.134 400 M CB 0.689 33.270 32.600 -0.033 0.000 1.564 400 M HN 0.050 nan 8.290 nan 0.000 0.463 401 H N 2.380 121.468 119.070 0.029 0.000 2.643 401 H HA 0.427 4.982 4.556 -0.001 0.000 0.259 401 H C 0.447 175.747 175.328 -0.047 0.000 1.298 401 H CA 0.103 56.143 56.048 -0.014 0.000 1.301 401 H CB 0.528 30.279 29.762 -0.017 0.000 1.422 401 H HN 1.002 nan 8.280 nan 0.000 0.521 402 G N 3.776 112.580 108.800 0.007 0.000 2.712 402 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.683 402 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.683 402 G C -1.967 172.941 174.900 0.012 0.000 1.320 402 G CA -0.671 44.417 45.100 -0.019 0.000 0.847 402 G HN 0.302 nan 8.290 nan 0.000 0.553 403 P HA -0.047 nan 4.420 nan 0.000 0.216 403 P C 2.084 179.395 177.300 0.017 0.000 1.153 403 P CA 2.762 65.869 63.100 0.013 0.000 0.848 403 P CB -0.197 31.504 31.700 0.002 0.000 0.787 404 A N 0.806 123.631 122.820 0.008 0.000 1.940 404 A HA -0.207 4.112 4.320 -0.001 0.000 0.219 404 A C 2.219 179.833 177.584 0.049 0.000 1.176 404 A CA 1.606 53.650 52.037 0.011 0.000 0.631 404 A CB -1.247 17.743 19.000 -0.018 0.000 0.814 404 A HN 0.203 nan 8.150 nan 0.000 0.446 405 E N -0.450 119.792 120.200 0.071 0.000 2.208 405 E HA -0.073 4.276 4.350 -0.001 0.000 0.193 405 E C 1.952 178.706 176.600 0.257 0.000 0.988 405 E CA 1.024 57.525 56.400 0.169 0.000 0.828 405 E CB -0.156 29.677 29.700 0.221 0.000 0.763 405 E HN 0.457 nan 8.360 nan 0.000 0.478 406 V N 1.429 121.417 119.914 0.125 0.000 2.323 406 V HA -0.213 3.907 4.120 -0.001 0.000 0.244 406 V C 2.404 178.510 176.094 0.020 0.000 1.041 406 V CA 1.731 64.067 62.300 0.059 0.000 1.025 406 V CB -0.654 31.187 31.823 0.030 0.000 0.656 406 V HN 0.264 nan 8.190 nan 0.000 0.451 407 A N -0.392 122.446 122.820 0.031 0.000 1.978 407 A HA -0.274 4.045 4.320 -0.001 0.000 0.220 407 A C 2.106 179.697 177.584 0.012 0.000 1.170 407 A CA 2.180 54.221 52.037 0.006 0.000 0.636 407 A CB -0.726 18.282 19.000 0.013 0.000 0.810 407 A HN 0.553 nan 8.150 nan 0.000 0.448 408 F N 1.216 121.113 119.950 -0.089 0.000 2.146 408 F HA -0.108 4.418 4.527 -0.001 0.000 0.298 408 F C 2.442 178.159 175.800 -0.139 0.000 1.096 408 F CA 2.174 60.094 58.000 -0.134 0.000 1.275 408 F CB -0.771 38.089 39.000 -0.233 0.000 1.008 408 F HN 0.194 nan 8.300 nan 0.000 0.480 409 T N -0.162 114.301 114.554 -0.151 0.000 2.720 409 T HA -0.260 4.089 4.350 -0.001 0.000 0.268 409 T C 2.218 176.537 174.700 -0.634 0.000 1.037 409 T CA 1.715 63.568 62.100 -0.412 0.000 1.144 409 T CB -1.123 67.541 68.868 -0.340 0.000 0.864 409 T HN 0.425 nan 8.240 nan 0.000 0.444 410 C N 0.982 120.051 119.300 -0.385 0.000 2.413 410 C HA -0.062 4.398 4.460 -0.001 0.000 0.276 410 C C 2.855 177.760 174.990 -0.142 0.000 1.236 410 C CA 0.944 59.825 59.018 -0.228 0.000 1.735 410 C CB -0.917 26.754 27.740 -0.116 0.000 2.031 410 C HN 0.593 nan 8.230 nan 0.000 0.474 411 E N 0.801 120.886 120.200 -0.192 0.000 2.072 411 E HA -0.162 4.188 4.350 -0.001 0.000 0.191 411 E C 1.907 178.380 176.600 -0.212 0.000 0.985 411 E CA 0.945 57.244 56.400 -0.168 0.000 0.801 411 E CB -0.534 29.074 29.700 -0.153 0.000 0.750 411 E HN 0.517 nan 8.360 nan 0.000 0.452 412 L N -0.313 120.671 121.223 -0.399 0.000 2.012 412 L HA -0.128 4.212 4.340 -0.001 0.000 0.210 412 L C 2.010 178.890 176.870 0.018 0.000 1.073 412 L CA 1.732 56.382 54.840 -0.317 0.000 0.748 412 L CB -0.646 41.114 42.059 -0.500 0.000 0.891 412 L HN 0.094 nan 8.230 nan 0.000 0.431 413 F N -0.258 119.580 119.950 -0.187 0.000 2.171 413 F HA -0.165 4.362 4.527 -0.001 0.000 0.300 413 F C 3.033 178.768 175.800 -0.109 0.000 1.090 413 F CA 1.303 59.230 58.000 -0.122 0.000 1.293 413 F CB -1.446 37.500 39.000 -0.090 0.000 1.013 413 F HN 0.323 nan 8.300 nan 0.000 0.486 414 S N -0.209 115.543 115.700 0.086 0.000 2.383 414 S HA -0.122 4.348 4.470 -0.001 0.000 0.227 414 S C 2.305 176.891 174.600 -0.024 0.000 1.026 414 S CA 0.772 58.980 58.200 0.013 0.000 0.981 414 S CB -0.051 63.145 63.200 -0.006 0.000 0.818 414 S HN 0.191 nan 8.310 nan 0.000 0.472 415 R N 0.593 121.069 120.500 -0.039 0.000 2.090 415 R HA 0.086 4.426 4.340 -0.001 0.000 0.228 415 R C 2.239 178.496 176.300 -0.072 0.000 1.110 415 R CA 1.109 57.174 56.100 -0.058 0.000 0.973 415 R CB -1.180 29.078 30.300 -0.071 0.000 0.869 415 R HN 0.405 nan 8.270 nan 0.000 0.440 416 V N 1.390 121.261 119.914 -0.072 0.000 2.759 416 V HA -0.163 3.957 4.120 -0.001 0.000 0.256 416 V C 1.986 178.018 176.094 -0.102 0.000 1.080 416 V CA 1.477 63.714 62.300 -0.104 0.000 1.101 416 V CB -0.396 31.355 31.823 -0.121 0.000 0.698 416 V HN 0.313 nan 8.190 nan 0.000 0.477 417 E N -0.043 120.106 120.200 -0.085 0.000 2.046 417 E HA -0.178 4.172 4.350 -0.001 0.000 0.190 417 E C 1.980 178.541 176.600 -0.064 0.000 0.982 417 E CA 1.283 57.634 56.400 -0.081 0.000 0.800 417 E CB -0.132 29.527 29.700 -0.068 0.000 0.756 417 E HN 0.544 nan 8.360 nan 0.000 0.449 418 D N 0.269 120.637 120.400 -0.055 0.000 2.116 418 D HA -0.160 4.479 4.640 -0.001 0.000 0.193 418 D C 1.968 178.239 176.300 -0.049 0.000 0.998 418 D CA 1.008 54.979 54.000 -0.047 0.000 0.836 418 D CB -0.323 40.452 40.800 -0.042 0.000 0.951 418 D HN 0.022 nan 8.370 nan 0.000 0.449 419 V N 0.643 120.519 119.914 -0.064 0.000 2.720 419 V HA -0.155 3.964 4.120 -0.001 0.000 0.256 419 V C 2.209 178.291 176.094 -0.020 0.000 1.082 419 V CA 1.031 63.290 62.300 -0.067 0.000 1.101 419 V CB -0.335 31.404 31.823 -0.140 0.000 0.693 419 V HN 0.238 nan 8.190 nan 0.000 0.479 420 L N -0.100 121.104 121.223 -0.032 0.000 2.585 420 L HA 0.365 4.704 4.340 -0.001 0.000 0.226 420 L C 1.830 178.669 176.870 -0.052 0.000 1.113 420 L CA 0.752 55.575 54.840 -0.029 0.000 0.876 420 L CB -0.356 41.668 42.059 -0.059 0.000 1.072 420 L HN 0.488 nan 8.230 nan 0.000 0.468 421 G N 1.148 109.919 108.800 -0.047 0.000 2.155 421 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.257 421 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.257 421 G C 0.276 175.140 174.900 -0.060 0.000 0.983 421 G CA 0.087 45.157 45.100 -0.049 0.000 0.676 421 G HN 0.250 nan 8.290 nan 0.000 0.528 422 L N 1.514 122.695 121.223 -0.070 0.000 2.436 422 L HA 0.385 4.725 4.340 -0.001 0.000 0.265 422 L C -1.140 175.692 176.870 -0.064 0.000 1.168 422 L CA -2.019 52.775 54.840 -0.078 0.000 0.815 422 L CB 0.262 42.262 42.059 -0.098 0.000 1.109 422 L HN -0.041 nan 8.230 nan 0.000 0.462 423 P HA -0.015 nan 4.420 nan 0.000 0.266 423 P C -0.900 176.371 177.300 -0.049 0.000 1.195 423 P CA -0.272 62.798 63.100 -0.049 0.000 0.768 423 P CB 0.423 32.095 31.700 -0.047 0.000 0.838 424 Q N 2.439 122.217 119.800 -0.037 0.000 2.361 424 Q HA -0.012 4.328 4.340 -0.001 0.000 0.276 424 Q C 0.749 176.733 176.000 -0.026 0.000 1.022 424 Q CA 0.710 56.496 55.803 -0.029 0.000 0.898 424 Q CB 0.031 28.758 28.738 -0.019 0.000 1.246 424 Q HN 0.499 nan 8.270 nan 0.000 0.410 425 N N 0.603 119.293 118.700 -0.017 0.000 2.901 425 N HA -0.154 4.585 4.740 -0.001 0.000 0.248 425 N C 0.494 175.981 175.510 -0.039 0.000 1.044 425 N CA 1.168 54.214 53.050 -0.007 0.000 0.847 425 N CB -1.449 37.038 38.487 0.001 0.000 1.127 425 N HN 0.503 nan 8.380 nan 0.000 0.562 426 T N 0.412 114.921 114.554 -0.075 0.000 2.821 426 T HA 0.042 4.392 4.350 -0.001 0.000 0.267 426 T C 1.075 175.669 174.700 -0.177 0.000 1.046 426 T CA 0.811 62.834 62.100 -0.127 0.000 1.139 426 T CB 0.075 68.863 68.868 -0.132 0.000 0.871 426 T HN 0.236 nan 8.240 nan 0.000 0.454 427 M N 2.498 121.998 119.600 -0.166 0.000 2.135 427 M HA 0.180 4.660 4.480 -0.001 0.000 0.345 427 M C -0.329 175.955 176.300 -0.027 0.000 1.340 427 M CA -0.174 54.978 55.300 -0.246 0.000 1.162 427 M CB 0.561 32.832 32.600 -0.548 0.000 1.570 427 M HN -0.183 nan 8.290 nan 0.000 0.454 428 K N 3.772 124.164 120.400 -0.014 0.000 2.098 428 K HA 0.541 4.861 4.320 -0.001 0.000 0.261 428 K C -0.705 176.064 176.600 0.281 0.000 0.987 428 K CA -0.477 55.897 56.287 0.146 0.000 0.916 428 K CB 2.032 34.637 32.500 0.175 0.000 1.039 428 K HN 0.711 nan 8.250 nan 0.000 0.455 429 I N 0.095 120.816 120.570 0.252 0.000 2.406 429 I HA 0.340 4.509 4.170 -0.001 0.000 0.290 429 I C -0.251 175.865 176.117 -0.001 0.000 0.999 429 I CA -0.548 60.876 61.300 0.208 0.000 1.124 429 I CB 1.520 39.584 38.000 0.105 0.000 1.289 429 I HN 0.604 nan 8.210 nan 0.000 0.441 430 G N 8.237 116.932 108.800 -0.176 0.000 2.320 430 G HA2 0.475 4.435 3.960 -0.001 0.000 0.300 430 G HA3 0.475 4.435 3.960 -0.001 0.000 0.300 430 G C -0.485 174.137 174.900 -0.464 0.000 1.126 430 G CA -0.521 43.999 45.100 -0.966 0.000 0.896 430 G HN 0.618 nan 8.290 nan 0.000 0.436 431 I N 3.924 124.409 120.570 -0.142 0.000 2.297 431 I HA 0.126 4.296 4.170 -0.001 0.000 0.291 431 I C 0.193 176.483 176.117 0.289 0.000 1.033 431 I CA -0.748 60.623 61.300 0.118 0.000 1.253 431 I CB 1.344 39.429 38.000 0.143 0.000 1.396 431 I HN 0.142 nan 8.210 nan 0.000 0.476 432 M N 5.228 124.974 119.600 0.244 0.000 2.252 432 M HA 0.016 4.495 4.480 -0.001 0.000 0.348 432 M C 0.093 176.469 176.300 0.127 0.000 1.334 432 M CA 0.310 55.726 55.300 0.192 0.000 1.071 432 M CB -0.104 32.588 32.600 0.153 0.000 1.763 432 M HN 0.386 nan 8.290 nan 0.000 0.452 433 D N 3.911 124.378 120.400 0.112 0.000 2.493 433 D HA 0.178 4.818 4.640 -0.001 0.000 0.235 433 D C 0.212 176.656 176.300 0.240 0.000 1.117 433 D CA 0.048 54.134 54.000 0.144 0.000 0.930 433 D CB 0.347 41.202 40.800 0.093 0.000 1.010 433 D HN 0.763 nan 8.370 nan 0.000 0.514 434 E N 1.959 122.248 120.200 0.147 0.000 2.948 434 E HA 0.152 4.501 4.350 -0.001 0.000 0.186 434 E C -0.662 175.929 176.600 -0.015 0.000 0.951 434 E CA -0.569 55.896 56.400 0.108 0.000 1.308 434 E CB 0.485 30.229 29.700 0.073 0.000 1.037 434 E HN 0.034 nan 8.360 nan 0.000 0.469 435 E N 0.891 121.050 120.200 -0.069 0.000 2.331 435 E HA 0.263 4.613 4.350 -0.001 0.000 0.275 435 E C -0.177 176.342 176.600 -0.135 0.000 0.895 435 E CA -0.654 55.611 56.400 -0.224 0.000 0.753 435 E CB 2.117 31.431 29.700 -0.644 0.000 1.216 435 E HN 0.050 nan 8.360 nan 0.000 0.434 436 R N 1.373 121.810 120.500 -0.105 0.000 2.094 436 R HA -0.111 4.228 4.340 -0.001 0.000 0.239 436 R C 1.959 178.244 176.300 -0.025 0.000 1.137 436 R CA 1.669 57.760 56.100 -0.016 0.000 0.943 436 R CB 0.141 30.478 30.300 0.063 0.000 0.850 436 R HN 0.354 nan 8.270 nan 0.000 0.433 437 R N -0.714 119.694 120.500 -0.153 0.000 2.127 437 R HA -0.108 4.232 4.340 -0.001 0.000 0.238 437 R C 1.976 178.181 176.300 -0.158 0.000 1.134 437 R CA 1.845 57.739 56.100 -0.343 0.000 0.975 437 R CB -0.171 29.839 30.300 -0.483 0.000 0.865 437 R HN 0.324 nan 8.270 nan 0.000 0.447 438 T N -0.368 114.129 114.554 -0.095 0.000 2.770 438 T HA -0.087 4.262 4.350 -0.001 0.000 0.263 438 T C 1.723 176.462 174.700 0.064 0.000 1.039 438 T CA 1.703 63.795 62.100 -0.013 0.000 1.142 438 T CB -0.208 68.652 68.868 -0.012 0.000 0.868 438 T HN 0.289 nan 8.240 nan 0.000 0.435 439 T N 2.340 116.954 114.554 0.100 0.000 2.699 439 T HA -0.119 4.230 4.350 -0.001 0.000 0.268 439 T C 2.122 176.895 174.700 0.122 0.000 1.036 439 T CA 1.687 63.905 62.100 0.198 0.000 1.147 439 T CB -0.477 68.557 68.868 0.276 0.000 0.862 439 T HN 0.438 nan 8.240 nan 0.000 0.446 440 V N -0.766 119.187 119.914 0.064 0.000 3.461 440 V HA 0.246 4.365 4.120 -0.001 0.000 0.267 440 V C 0.812 176.945 176.094 0.065 0.000 1.186 440 V CA 0.780 63.100 62.300 0.032 0.000 1.154 440 V CB -0.350 31.522 31.823 0.082 0.000 0.802 440 V HN 0.294 nan 8.190 nan 0.000 0.474 441 N N 0.195 118.940 118.700 0.075 0.000 2.497 441 N HA 0.275 5.014 4.740 -0.001 0.000 0.284 441 N C 0.789 176.366 175.510 0.111 0.000 1.459 441 N CA -0.085 53.011 53.050 0.077 0.000 0.899 441 N CB 1.404 39.903 38.487 0.019 0.000 1.316 441 N HN 0.393 nan 8.380 nan 0.000 0.500 442 L N 1.467 122.798 121.223 0.180 0.000 2.027 442 L HA -0.044 4.295 4.340 -0.001 0.000 0.206 442 L C 2.324 179.270 176.870 0.127 0.000 1.074 442 L CA 2.006 56.938 54.840 0.154 0.000 0.745 442 L CB -0.315 41.850 42.059 0.178 0.000 0.898 442 L HN 0.049 nan 8.230 nan 0.000 0.433 443 K N -0.364 120.115 120.400 0.133 0.000 2.044 443 K HA -0.226 4.094 4.320 -0.001 0.000 0.210 443 K C 1.997 178.740 176.600 0.239 0.000 1.049 443 K CA 1.882 58.282 56.287 0.187 0.000 0.927 443 K CB -0.466 32.136 32.500 0.171 0.000 0.713 443 K HN 0.450 nan 8.250 nan 0.000 0.443 444 A N 0.509 123.417 122.820 0.146 0.000 1.908 444 A HA -0.196 4.123 4.320 -0.001 0.000 0.218 444 A C 2.479 180.097 177.584 0.056 0.000 1.181 444 A CA 1.794 53.879 52.037 0.079 0.000 0.627 444 A CB -1.157 17.873 19.000 0.050 0.000 0.818 444 A HN 0.609 nan 8.150 nan 0.000 0.445 445 C N -0.576 118.770 119.300 0.077 0.000 2.413 445 C HA -0.125 4.334 4.460 -0.001 0.000 0.276 445 C C 2.554 177.606 174.990 0.103 0.000 1.236 445 C CA 1.028 60.090 59.018 0.073 0.000 1.735 445 C CB -1.425 26.362 27.740 0.078 0.000 2.031 445 C HN 0.636 nan 8.230 nan 0.000 0.474 446 I N 0.543 121.222 120.570 0.182 0.000 2.286 446 I HA -0.219 3.950 4.170 -0.001 0.000 0.248 446 I C 2.698 178.941 176.117 0.210 0.000 1.115 446 I CA 1.454 62.934 61.300 0.299 0.000 1.392 446 I CB -0.579 37.686 38.000 0.443 0.000 1.065 446 I HN 0.371 nan 8.210 nan 0.000 0.418 447 K N 1.128 121.520 120.400 -0.013 0.000 2.148 447 K HA -0.136 4.184 4.320 -0.001 0.000 0.204 447 K C 2.180 178.632 176.600 -0.246 0.000 1.050 447 K CA 1.350 57.322 56.287 -0.525 0.000 0.942 447 K CB -0.028 32.066 32.500 -0.677 0.000 0.724 447 K HN 0.317 nan 8.250 nan 0.000 0.446 448 A N 0.524 123.283 122.820 -0.102 0.000 1.969 448 A HA 0.004 4.323 4.320 -0.001 0.000 0.218 448 A C 1.725 179.282 177.584 -0.045 0.000 1.169 448 A CA 1.576 53.573 52.037 -0.066 0.000 0.635 448 A CB -0.124 18.859 19.000 -0.028 0.000 0.810 448 A HN 0.314 nan 8.150 nan 0.000 0.445 449 A N -0.964 121.849 122.820 -0.012 0.000 2.630 449 A HA 0.639 4.958 4.320 -0.001 0.000 0.290 449 A C 1.593 179.199 177.584 0.037 0.000 1.267 449 A CA 0.723 52.764 52.037 0.008 0.000 0.950 449 A CB -0.626 18.384 19.000 0.018 0.000 1.144 449 A HN 0.853 nan 8.150 nan 0.000 0.527 450 A N -0.258 122.566 122.820 0.007 0.000 2.139 450 A HA -0.181 4.138 4.320 -0.001 0.000 0.221 450 A C 1.560 179.179 177.584 0.059 0.000 1.159 450 A CA 2.000 54.068 52.037 0.053 0.000 0.662 450 A CB -0.148 18.808 19.000 -0.074 0.000 0.796 450 A HN 0.390 nan 8.150 nan 0.000 0.463 451 D N -2.426 117.991 120.400 0.029 0.000 2.433 451 D HA 0.197 4.837 4.640 -0.001 0.000 0.211 451 D C 1.769 178.088 176.300 0.032 0.000 1.114 451 D CA 0.197 54.212 54.000 0.026 0.000 0.837 451 D CB 0.189 40.997 40.800 0.014 0.000 0.984 451 D HN 0.437 nan 8.370 nan 0.000 0.505 452 R N -0.790 119.735 120.500 0.042 0.000 2.470 452 R HA 0.188 4.527 4.340 -0.001 0.000 0.210 452 R C 0.350 176.690 176.300 0.067 0.000 0.873 452 R CA -0.117 56.023 56.100 0.065 0.000 1.015 452 R CB 1.192 31.546 30.300 0.090 0.000 1.348 452 R HN -0.081 nan 8.270 nan 0.000 0.650 453 V N 2.968 122.911 119.914 0.049 0.000 2.617 453 V HA -0.055 4.065 4.120 -0.001 0.000 0.304 453 V C 1.127 177.210 176.094 -0.017 0.000 1.040 453 V CA 0.652 62.979 62.300 0.044 0.000 1.149 453 V CB 1.361 33.252 31.823 0.114 0.000 0.914 453 V HN 0.202 nan 8.190 nan 0.000 0.487 454 V N 4.684 124.613 119.914 0.025 0.000 3.635 454 V HA 0.490 4.610 4.120 -0.001 0.000 0.266 454 V C 0.156 176.370 176.094 0.199 0.000 1.316 454 V CA 0.540 62.878 62.300 0.063 0.000 1.060 454 V CB -0.197 31.716 31.823 0.149 0.000 0.820 454 V HN 0.996 nan 8.190 nan 0.000 0.447 455 F N 0.320 120.415 119.950 0.242 0.000 2.741 455 F HA 0.831 5.357 4.527 -0.001 0.000 0.311 455 F C -1.357 174.659 175.800 0.361 0.000 1.149 455 F CA -2.655 55.536 58.000 0.318 0.000 0.930 455 F CB 1.002 40.138 39.000 0.227 0.000 1.312 455 F HN 0.053 nan 8.300 nan 0.000 0.450 456 I N 0.645 121.686 120.570 0.784 0.000 2.603 456 I HA 0.752 4.922 4.170 -0.001 0.000 0.300 456 I C -1.473 174.772 176.117 0.213 0.000 1.017 456 I CA -0.803 60.773 61.300 0.460 0.000 1.098 456 I CB 2.173 40.256 38.000 0.138 0.000 1.279 456 I HN 0.802 nan 8.210 nan 0.000 0.437 457 N N 2.081 120.828 118.700 0.078 0.000 2.336 457 N HA 0.354 5.093 4.740 -0.001 0.000 0.290 457 N C -0.960 174.432 175.510 -0.196 0.000 1.058 457 N CA -0.560 52.350 53.050 -0.234 0.000 0.865 457 N CB 1.876 40.028 38.487 -0.558 0.000 1.581 457 N HN 0.832 nan 8.380 nan 0.000 0.480 458 T N 0.720 115.123 114.554 -0.250 0.000 2.848 458 T HA 0.268 4.618 4.350 -0.001 0.000 0.283 458 T C 0.927 175.639 174.700 0.021 0.000 0.919 458 T CA -0.761 61.243 62.100 -0.160 0.000 1.071 458 T CB 0.185 68.792 68.868 -0.434 0.000 0.912 458 T HN 0.525 nan 8.240 nan 0.000 0.570 459 G N 3.273 112.117 108.800 0.074 0.000 3.213 459 G HA2 0.338 4.298 3.960 -0.001 0.000 0.263 459 G HA3 0.338 4.298 3.960 -0.001 0.000 0.263 459 G C 0.594 175.564 174.900 0.116 0.000 0.829 459 G CA -0.997 44.097 45.100 -0.011 0.000 1.983 459 G HN 0.883 nan 8.290 nan 0.000 0.616 460 F N 0.415 120.456 119.950 0.152 0.000 2.176 460 F HA -0.234 4.293 4.527 -0.001 0.000 0.301 460 F C 1.797 177.652 175.800 0.091 0.000 1.071 460 F CA 0.910 59.019 58.000 0.181 0.000 1.289 460 F CB -0.369 38.718 39.000 0.145 0.000 1.028 460 F HN 0.270 nan 8.300 nan 0.000 0.494 461 L N 0.403 121.176 121.223 -0.749 0.000 1.988 461 L HA -0.152 4.188 4.340 -0.001 0.000 0.207 461 L C 2.451 179.191 176.870 -0.216 0.000 1.071 461 L CA 1.552 56.055 54.840 -0.561 0.000 0.744 461 L CB -0.910 40.766 42.059 -0.639 0.000 0.893 461 L HN 0.053 nan 8.230 nan 0.000 0.433 462 D N -0.331 119.988 120.400 -0.136 0.000 2.178 462 D HA -0.183 4.457 4.640 -0.001 0.000 0.201 462 D C 2.282 178.545 176.300 -0.062 0.000 0.980 462 D CA 0.841 54.812 54.000 -0.049 0.000 0.842 462 D CB 0.032 40.847 40.800 0.026 0.000 0.948 462 D HN 0.030 nan 8.370 nan 0.000 0.472 463 R N 0.407 120.874 120.500 -0.055 0.000 2.081 463 R HA -0.060 4.280 4.340 -0.001 0.000 0.235 463 R C 2.043 178.262 176.300 -0.136 0.000 1.131 463 R CA 1.662 57.698 56.100 -0.106 0.000 0.960 463 R CB -0.957 29.232 30.300 -0.185 0.000 0.856 463 R HN 0.032 nan 8.270 nan 0.000 0.436 464 T N -0.628 113.937 114.554 0.020 0.000 2.746 464 T HA -0.070 4.279 4.350 -0.001 0.000 0.267 464 T C 1.729 176.356 174.700 -0.122 0.000 1.039 464 T CA 1.439 63.563 62.100 0.040 0.000 1.142 464 T CB -0.751 68.214 68.868 0.162 0.000 0.866 464 T HN 0.553 nan 8.240 nan 0.000 0.444 465 G N 1.103 109.839 108.800 -0.108 0.000 2.446 465 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.217 465 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.217 465 G C 1.338 176.156 174.900 -0.135 0.000 1.168 465 G CA 1.226 46.256 45.100 -0.117 0.000 0.771 465 G HN 0.466 nan 8.290 nan 0.000 0.551 466 D N -0.248 120.059 120.400 -0.155 0.000 2.219 466 D HA -0.041 4.598 4.640 -0.001 0.000 0.205 466 D C 2.306 178.503 176.300 -0.171 0.000 0.970 466 D CA 0.905 54.827 54.000 -0.130 0.000 0.851 466 D CB -0.043 40.691 40.800 -0.110 0.000 0.943 466 D HN 0.354 nan 8.370 nan 0.000 0.488 467 E N -0.130 119.866 120.200 -0.341 0.000 2.106 467 E HA -0.095 4.255 4.350 -0.001 0.000 0.192 467 E C 1.955 178.363 176.600 -0.320 0.000 0.984 467 E CA 0.930 57.026 56.400 -0.506 0.000 0.806 467 E CB -0.122 28.922 29.700 -1.094 0.000 0.750 467 E HN 0.384 nan 8.360 nan 0.000 0.458 468 I N -0.699 119.741 120.570 -0.217 0.000 2.233 468 I HA -0.188 3.981 4.170 -0.001 0.000 0.243 468 I C 2.266 178.331 176.117 -0.086 0.000 1.093 468 I CA 1.366 62.587 61.300 -0.131 0.000 1.380 468 I CB -0.398 37.548 38.000 -0.089 0.000 1.067 468 I HN 0.223 nan 8.210 nan 0.000 0.413 469 H N 0.784 119.776 119.070 -0.130 0.000 2.357 469 H HA -0.121 4.434 4.556 -0.001 0.000 0.301 469 H C 2.292 177.581 175.328 -0.066 0.000 1.082 469 H CA 2.038 58.029 56.048 -0.096 0.000 1.342 469 H CB 0.000 29.688 29.762 -0.124 0.000 1.389 469 H HN 0.052 nan 8.280 nan 0.000 0.511 470 T N -1.221 113.340 114.554 0.011 0.000 2.759 470 T HA -0.127 4.223 4.350 -0.001 0.000 0.269 470 T C 1.571 176.240 174.700 -0.052 0.000 1.042 470 T CA 1.726 63.840 62.100 0.024 0.000 1.140 470 T CB -0.259 68.649 68.868 0.067 0.000 0.864 470 T HN 0.180 nan 8.240 nan 0.000 0.455 471 S N -0.013 115.604 115.700 -0.138 0.000 2.601 471 S HA 0.279 4.748 4.470 -0.001 0.000 0.244 471 S C 1.321 175.777 174.600 -0.241 0.000 1.001 471 S CA -0.367 57.688 58.200 -0.242 0.000 0.984 471 S CB -0.056 62.996 63.200 -0.246 0.000 0.842 471 S HN 0.220 nan 8.310 nan 0.000 0.474 472 M N 2.260 121.748 119.600 -0.187 0.000 2.103 472 M HA -0.139 4.341 4.480 -0.001 0.000 0.255 472 M C 1.403 177.729 176.300 0.044 0.000 1.074 472 M CA 1.908 57.143 55.300 -0.109 0.000 1.090 472 M CB -0.281 32.177 32.600 -0.236 0.000 1.325 472 M HN 0.071 nan 8.290 nan 0.000 0.403 473 E N -0.596 119.603 120.200 -0.001 0.000 2.481 473 E HA 0.146 4.496 4.350 -0.001 0.000 0.195 473 E C 1.944 178.638 176.600 0.158 0.000 1.047 473 E CA 0.809 57.293 56.400 0.140 0.000 0.867 473 E CB -0.552 29.235 29.700 0.146 0.000 0.858 473 E HN 0.622 nan 8.360 nan 0.000 0.513 474 A N 1.102 123.826 122.820 -0.160 0.000 1.933 474 A HA 0.179 4.498 4.320 -0.001 0.000 0.218 474 A C 1.312 178.844 177.584 -0.087 0.000 1.175 474 A CA 1.604 53.548 52.037 -0.155 0.000 0.628 474 A CB -0.109 18.690 19.000 -0.336 0.000 0.814 474 A HN 0.338 nan 8.150 nan 0.000 0.444 475 G N -2.683 105.906 108.800 -0.351 0.000 2.362 475 G HA2 0.322 4.281 3.960 -0.001 0.000 0.288 475 G HA3 0.322 4.281 3.960 -0.001 0.000 0.288 475 G C -3.447 170.969 174.900 -0.806 0.000 1.305 475 G CA -0.388 44.252 45.100 -0.767 0.000 0.910 475 G HN 0.059 nan 8.290 nan 0.000 0.518 476 P HA 0.337 nan 4.420 nan 0.000 0.267 476 P C -0.128 177.237 177.300 0.109 0.000 1.205 476 P CA 0.061 63.112 63.100 -0.081 0.000 0.765 476 P CB 0.558 32.263 31.700 0.008 0.000 0.828 477 M N 2.594 122.363 119.600 0.283 0.000 2.283 477 M HA 0.184 4.663 4.480 -0.001 0.000 0.314 477 M C 0.663 177.259 176.300 0.494 0.000 1.153 477 M CA -1.054 54.414 55.300 0.280 0.000 1.084 477 M CB 0.613 33.315 32.600 0.170 0.000 1.468 477 M HN 0.184 nan 8.290 nan 0.000 0.474 478 V N 0.415 120.553 119.914 0.373 0.000 2.963 478 V HA 0.301 4.421 4.120 -0.001 0.000 0.306 478 V C 0.570 176.844 176.094 0.301 0.000 1.077 478 V CA -0.785 61.778 62.300 0.438 0.000 1.124 478 V CB -0.157 31.846 31.823 0.300 0.000 0.987 478 V HN 0.787 nan 8.190 nan 0.000 0.487 479 R N 2.248 122.912 120.500 0.272 0.000 2.811 479 R HA 0.095 4.434 4.340 -0.001 0.000 0.265 479 R C 1.647 177.939 176.300 -0.013 0.000 1.026 479 R CA 0.426 56.532 56.100 0.010 0.000 1.142 479 R CB 0.322 30.624 30.300 0.003 0.000 1.027 479 R HN 0.941 nan 8.270 nan 0.000 0.465 480 K N 0.816 121.150 120.400 -0.110 0.000 2.288 480 K HA -0.063 4.257 4.320 -0.001 0.000 0.201 480 K C 1.676 178.261 176.600 -0.025 0.000 1.048 480 K CA 1.426 57.674 56.287 -0.065 0.000 0.956 480 K CB -0.015 32.416 32.500 -0.114 0.000 0.746 480 K HN 0.719 nan 8.250 nan 0.000 0.461 481 G N 1.293 110.071 108.800 -0.038 0.000 2.443 481 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.219 481 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.219 481 G C 1.204 176.101 174.900 -0.005 0.000 1.131 481 G CA 0.976 46.053 45.100 -0.037 0.000 0.775 481 G HN 0.366 nan 8.290 nan 0.000 0.547 482 T N 1.319 115.894 114.554 0.035 0.000 3.088 482 T HA 0.095 4.445 4.350 -0.001 0.000 0.259 482 T C 2.363 177.096 174.700 0.056 0.000 1.122 482 T CA 0.157 62.292 62.100 0.058 0.000 1.095 482 T CB 0.011 68.950 68.868 0.118 0.000 0.930 482 T HN 0.021 nan 8.240 nan 0.000 0.508 483 M N 2.142 121.784 119.600 0.070 0.000 2.159 483 M HA -0.071 4.408 4.480 -0.001 0.000 0.263 483 M C 2.068 178.353 176.300 -0.026 0.000 1.063 483 M CA 1.497 56.862 55.300 0.110 0.000 1.110 483 M CB -0.808 31.904 32.600 0.187 0.000 1.374 483 M HN 0.275 nan 8.290 nan 0.000 0.411 484 K N 0.221 120.590 120.400 -0.052 0.000 2.281 484 K HA -0.060 4.260 4.320 -0.001 0.000 0.203 484 K C 1.277 177.776 176.600 -0.168 0.000 1.046 484 K CA 1.529 57.736 56.287 -0.133 0.000 0.938 484 K CB -0.955 31.475 32.500 -0.117 0.000 0.737 484 K HN 0.362 nan 8.250 nan 0.000 0.458 485 S N -0.589 115.040 115.700 -0.118 0.000 2.651 485 S HA 0.215 4.684 4.470 -0.001 0.000 0.246 485 S C -0.262 174.278 174.600 -0.099 0.000 1.039 485 S CA -0.943 57.194 58.200 -0.105 0.000 1.013 485 S CB -0.003 63.161 63.200 -0.059 0.000 0.861 485 S HN 0.002 nan 8.310 nan 0.000 0.485 486 Q N 1.713 121.416 119.800 -0.161 0.000 2.227 486 Q HA 0.434 4.774 4.340 -0.001 0.000 0.245 486 Q C -1.922 173.966 176.000 -0.186 0.000 0.926 486 Q CA -2.398 53.336 55.803 -0.114 0.000 0.895 486 Q CB 0.869 29.602 28.738 -0.009 0.000 1.230 486 Q HN 0.055 nan 8.270 nan 0.000 0.450 487 P HA -0.200 nan 4.420 nan 0.000 0.215 487 P C 1.262 178.550 177.300 -0.019 0.000 1.157 487 P CA 1.663 64.750 63.100 -0.022 0.000 0.874 487 P CB -0.237 31.491 31.700 0.047 0.000 0.790 488 W N 0.014 121.316 121.300 0.003 0.000 2.342 488 W HA -0.116 4.544 4.660 -0.001 0.000 0.297 488 W C 1.702 178.241 176.519 0.034 0.000 1.213 488 W CA 0.757 58.105 57.345 0.004 0.000 1.251 488 W CB -1.575 27.870 29.460 -0.026 0.000 1.136 488 W HN -0.056 nan 8.180 nan 0.000 0.526 489 I N 0.983 120.813 120.570 -1.233 0.000 2.584 489 I HA -0.174 3.996 4.170 -0.001 0.000 0.255 489 I C 2.509 178.425 176.117 -0.336 0.000 1.145 489 I CA 0.759 61.375 61.300 -1.139 0.000 1.462 489 I CB -0.135 36.904 38.000 -1.602 0.000 1.102 489 I HN -0.104 nan 8.210 nan 0.000 0.433 490 L N 0.512 121.566 121.223 -0.282 0.000 2.156 490 L HA -0.088 4.251 4.340 -0.001 0.000 0.208 490 L C 2.666 179.507 176.870 -0.048 0.000 1.095 490 L CA 1.094 55.849 54.840 -0.140 0.000 0.770 490 L CB -0.607 41.375 42.059 -0.128 0.000 0.914 490 L HN 0.226 nan 8.230 nan 0.000 0.439 491 A N -0.745 122.074 122.820 -0.002 0.000 2.014 491 A HA -0.226 4.094 4.320 -0.001 0.000 0.218 491 A C 2.139 179.809 177.584 0.143 0.000 1.163 491 A CA 1.100 53.175 52.037 0.064 0.000 0.652 491 A CB -0.600 18.444 19.000 0.074 0.000 0.808 491 A HN 0.536 nan 8.150 nan 0.000 0.449 492 Y N 0.466 120.777 120.300 0.018 0.000 2.243 492 Y HA -0.067 4.483 4.550 -0.001 0.000 0.293 492 Y C 2.118 178.054 175.900 0.060 0.000 1.124 492 Y CA 1.554 59.704 58.100 0.083 0.000 1.159 492 Y CB -0.093 38.449 38.460 0.136 0.000 1.008 492 Y HN 0.257 nan 8.280 nan 0.000 0.527 493 E N 0.905 121.012 120.200 -0.155 0.000 2.023 493 E HA -0.224 4.125 4.350 -0.001 0.000 0.196 493 E C 1.749 178.246 176.600 -0.172 0.000 1.003 493 E CA 1.767 58.011 56.400 -0.261 0.000 0.809 493 E CB -0.540 29.067 29.700 -0.154 0.000 0.755 493 E HN 0.581 nan 8.360 nan 0.000 0.449 494 D N -0.226 120.126 120.400 -0.080 0.000 2.123 494 D HA -0.158 4.482 4.640 -0.001 0.000 0.196 494 D C 1.905 178.176 176.300 -0.047 0.000 0.992 494 D CA 0.974 54.939 54.000 -0.059 0.000 0.833 494 D CB -0.486 40.300 40.800 -0.024 0.000 0.954 494 D HN 0.337 nan 8.370 nan 0.000 0.455 495 H N 0.478 119.495 119.070 -0.087 0.000 2.389 495 H HA -0.073 4.483 4.556 -0.001 0.000 0.299 495 H C 1.890 177.150 175.328 -0.114 0.000 1.081 495 H CA 1.102 57.111 56.048 -0.065 0.000 1.345 495 H CB 0.135 29.898 29.762 0.001 0.000 1.393 495 H HN 0.104 nan 8.280 nan 0.000 0.520 496 N N 0.632 119.236 118.700 -0.160 0.000 2.084 496 N HA -0.134 4.605 4.740 -0.001 0.000 0.190 496 N C 2.006 177.343 175.510 -0.287 0.000 1.030 496 N CA 1.559 54.460 53.050 -0.249 0.000 0.849 496 N CB 0.003 38.304 38.487 -0.309 0.000 1.012 496 N HN 0.182 nan 8.380 nan 0.000 0.423 497 V N 1.523 121.295 119.914 -0.236 0.000 2.358 497 V HA -0.161 3.959 4.120 -0.001 0.000 0.246 497 V C 1.789 177.748 176.094 -0.225 0.000 1.047 497 V CA 1.647 63.821 62.300 -0.210 0.000 1.035 497 V CB -0.614 31.119 31.823 -0.151 0.000 0.658 497 V HN 0.226 nan 8.190 nan 0.000 0.452 498 D N 0.787 121.052 120.400 -0.224 0.000 2.104 498 D HA -0.156 4.483 4.640 -0.001 0.000 0.194 498 D C 2.224 178.361 176.300 -0.272 0.000 0.994 498 D CA 1.844 55.715 54.000 -0.216 0.000 0.830 498 D CB -0.407 40.277 40.800 -0.193 0.000 0.959 498 D HN 0.435 nan 8.370 nan 0.000 0.452 499 A N 0.590 123.188 122.820 -0.370 0.000 1.873 499 A HA 0.032 4.351 4.320 -0.001 0.000 0.215 499 A C 2.380 179.715 177.584 -0.416 0.000 1.186 499 A CA 2.076 53.892 52.037 -0.368 0.000 0.616 499 A CB -1.154 17.608 19.000 -0.395 0.000 0.823 499 A HN 0.295 nan 8.150 nan 0.000 0.442 500 G N 0.025 108.485 108.800 -0.566 0.000 2.491 500 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.218 500 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.218 500 G C 1.548 176.130 174.900 -0.531 0.000 1.180 500 G CA 1.145 45.629 45.100 -1.026 0.000 0.774 500 G HN 0.416 nan 8.290 nan 0.000 0.562 501 L N 0.574 121.627 121.223 -0.282 0.000 2.131 501 L HA -0.037 4.303 4.340 -0.001 0.000 0.210 501 L C 3.213 180.022 176.870 -0.101 0.000 1.092 501 L CA 0.968 55.739 54.840 -0.114 0.000 0.759 501 L CB -0.338 41.661 42.059 -0.101 0.000 0.903 501 L HN 0.347 nan 8.230 nan 0.000 0.435 502 A N -0.487 122.232 122.820 -0.170 0.000 2.235 502 A HA 0.213 4.533 4.320 -0.001 0.000 0.208 502 A C 1.965 179.401 177.584 -0.246 0.000 1.172 502 A CA 0.965 52.897 52.037 -0.175 0.000 0.786 502 A CB -0.307 18.584 19.000 -0.181 0.000 0.804 502 A HN 0.339 nan 8.150 nan 0.000 0.479 503 A N -1.304 121.385 122.820 -0.218 0.000 2.423 503 A HA 0.468 4.788 4.320 -0.001 0.000 0.246 503 A C 1.439 179.066 177.584 0.072 0.000 1.278 503 A CA 0.682 52.580 52.037 -0.232 0.000 0.903 503 A CB -0.901 18.039 19.000 -0.100 0.000 0.997 503 A HN 1.698 nan 8.150 nan 0.000 0.510 504 G N -1.119 107.722 108.800 0.068 0.000 2.246 504 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.273 504 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.273 504 G C 0.339 175.352 174.900 0.188 0.000 1.055 504 G CA 0.412 45.570 45.100 0.096 0.000 0.851 504 G HN 0.323 nan 8.290 nan 0.000 0.500 505 F N 1.320 121.256 119.950 -0.023 0.000 2.293 505 F HA 0.111 4.637 4.527 -0.001 0.000 0.300 505 F C 2.071 177.880 175.800 0.015 0.000 1.086 505 F CA 1.051 59.058 58.000 0.012 0.000 1.375 505 F CB -0.057 38.952 39.000 0.016 0.000 1.045 505 F HN 0.212 nan 8.300 nan 0.000 0.516 506 S N -0.088 115.712 115.700 0.167 0.000 2.515 506 S HA 0.334 4.803 4.470 -0.001 0.000 0.285 506 S C 1.263 175.893 174.600 0.050 0.000 1.265 506 S CA 0.636 58.888 58.200 0.086 0.000 1.079 506 S CB -0.008 63.222 63.200 0.051 0.000 0.877 506 S HN 0.692 nan 8.310 nan 0.000 0.493 507 G N 3.707 112.529 108.800 0.037 0.000 2.205 507 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.261 507 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.261 507 G C 0.883 175.787 174.900 0.007 0.000 0.980 507 G CA 0.641 45.752 45.100 0.019 0.000 0.632 507 G HN 0.636 nan 8.290 nan 0.000 0.533 508 R N -0.323 120.173 120.500 -0.007 0.000 2.243 508 R HA 0.637 4.976 4.340 -0.001 0.000 0.193 508 R C 0.792 177.026 176.300 -0.110 0.000 0.933 508 R CA 0.964 57.029 56.100 -0.058 0.000 1.105 508 R CB 0.761 31.008 30.300 -0.089 0.000 1.169 508 R HN 0.929 nan 8.270 nan 0.000 0.599 509 A N 0.845 123.585 122.820 -0.133 0.000 2.604 509 A HA 0.363 4.683 4.320 -0.001 0.000 0.295 509 A C -1.505 176.168 177.584 0.148 0.000 1.067 509 A CA -0.757 51.198 52.037 -0.137 0.000 0.683 509 A CB 1.379 20.009 19.000 -0.617 0.000 1.281 509 A HN 0.058 nan 8.150 nan 0.000 0.407 510 Q N 0.366 120.328 119.800 0.268 0.000 2.352 510 Q HA 0.440 4.779 4.340 -0.001 0.000 0.260 510 Q C -0.649 175.586 176.000 0.391 0.000 0.976 510 Q CA -0.220 55.761 55.803 0.296 0.000 0.881 510 Q CB 1.384 30.276 28.738 0.257 0.000 1.235 510 Q HN 0.452 nan 8.270 nan 0.000 0.419 511 V N 2.051 122.097 119.914 0.219 0.000 2.328 511 V HA 0.504 4.623 4.120 -0.001 0.000 0.278 511 V C 0.377 176.465 176.094 -0.009 0.000 1.021 511 V CA -0.587 61.763 62.300 0.084 0.000 0.838 511 V CB 1.158 32.982 31.823 0.002 0.000 0.999 511 V HN 0.846 nan 8.190 nan 0.000 0.447 512 G N 4.096 112.830 108.800 -0.110 0.000 2.420 512 G HA2 0.679 4.639 3.960 -0.001 0.000 0.331 512 G HA3 0.679 4.639 3.960 -0.001 0.000 0.331 512 G C -0.779 173.959 174.900 -0.269 0.000 1.168 512 G CA -0.587 44.374 45.100 -0.232 0.000 0.936 512 G HN 0.567 nan 8.290 nan 0.000 0.479 513 K N -0.134 120.133 120.400 -0.220 0.000 2.331 513 K HA 0.631 4.950 4.320 -0.001 0.000 0.238 513 K C 0.664 177.127 176.600 -0.228 0.000 1.058 513 K CA -0.727 55.437 56.287 -0.205 0.000 0.871 513 K CB 2.059 34.496 32.500 -0.105 0.000 1.292 513 K HN 0.588 nan 8.250 nan 0.000 0.470 514 G N 0.485 109.239 108.800 -0.076 0.000 2.653 514 G HA2 0.250 4.209 3.960 -0.001 0.000 0.265 514 G HA3 0.250 4.209 3.960 -0.001 0.000 0.265 514 G C -0.436 174.643 174.900 0.299 0.000 1.237 514 G CA -0.321 44.861 45.100 0.137 0.000 0.946 514 G HN 0.442 nan 8.290 nan 0.000 0.522 515 M N 0.498 120.404 119.600 0.511 0.000 2.249 515 M HA 0.342 4.822 4.480 -0.001 0.000 0.351 515 M C -0.447 176.111 176.300 0.431 0.000 1.180 515 M CA -1.223 54.375 55.300 0.498 0.000 1.127 515 M CB 0.932 33.814 32.600 0.469 0.000 1.546 515 M HN 0.568 nan 8.290 nan 0.000 0.461 516 W N 6.200 127.598 121.300 0.164 0.000 2.335 516 W HA 0.239 4.899 4.660 -0.001 0.000 0.306 516 W C -0.215 176.362 176.519 0.097 0.000 1.216 516 W CA 0.166 57.566 57.345 0.091 0.000 1.237 516 W CB 1.111 30.579 29.460 0.014 0.000 1.243 516 W HN 0.906 nan 8.180 nan 0.000 0.493 517 T N 1.950 116.327 114.554 -0.295 0.000 3.044 517 T HA 0.133 4.483 4.350 -0.001 0.000 0.250 517 T C 0.739 175.322 174.700 -0.195 0.000 1.081 517 T CA 0.088 62.093 62.100 -0.157 0.000 1.040 517 T CB 0.192 68.983 68.868 -0.128 0.000 0.962 517 T HN 0.377 nan 8.240 nan 0.000 0.506 518 M N 3.916 123.245 119.600 -0.451 0.000 2.923 518 M HA 0.251 4.730 4.480 -0.001 0.000 0.311 518 M C 1.512 177.967 176.300 0.258 0.000 1.376 518 M CA -0.304 54.931 55.300 -0.110 0.000 1.468 518 M CB 0.592 33.093 32.600 -0.165 0.000 1.151 518 M HN 0.272 nan 8.290 nan 0.000 0.517 519 T N -2.216 112.443 114.554 0.175 0.000 2.929 519 T HA -0.092 4.258 4.350 -0.001 0.000 0.271 519 T C 1.189 175.982 174.700 0.155 0.000 1.085 519 T CA 1.150 63.364 62.100 0.189 0.000 1.125 519 T CB -0.038 68.892 68.868 0.102 0.000 0.874 519 T HN 0.528 nan 8.240 nan 0.000 0.494 520 E N 1.069 121.354 120.200 0.141 0.000 2.364 520 E HA 0.199 4.549 4.350 -0.001 0.000 0.196 520 E C 0.959 177.631 176.600 0.120 0.000 0.990 520 E CA 0.086 56.546 56.400 0.101 0.000 0.886 520 E CB 0.064 29.807 29.700 0.070 0.000 0.866 520 E HN 0.531 nan 8.360 nan 0.000 0.493 521 L N 2.159 123.507 121.223 0.208 0.000 2.480 521 L HA 0.180 4.519 4.340 -0.001 0.000 0.243 521 L C 1.364 178.355 176.870 0.201 0.000 1.315 521 L CA -0.272 54.708 54.840 0.234 0.000 1.231 521 L CB -0.168 42.075 42.059 0.306 0.000 1.444 521 L HN -0.083 nan 8.230 nan 0.000 0.409 522 M N 0.242 119.871 119.600 0.047 0.000 2.288 522 M HA -0.044 4.436 4.480 -0.001 0.000 0.266 522 M C 2.423 178.654 176.300 -0.114 0.000 1.072 522 M CA 1.001 56.245 55.300 -0.093 0.000 1.132 522 M CB -0.651 31.898 32.600 -0.085 0.000 1.386 522 M HN 0.592 nan 8.290 nan 0.000 0.432 523 A N 0.351 123.146 122.820 -0.041 0.000 1.933 523 A HA -0.181 4.139 4.320 -0.001 0.000 0.218 523 A C 1.889 179.468 177.584 -0.009 0.000 1.175 523 A CA 1.942 53.965 52.037 -0.022 0.000 0.628 523 A CB -0.623 18.379 19.000 0.004 0.000 0.814 523 A HN 0.344 nan 8.150 nan 0.000 0.444 524 D N -1.005 119.415 120.400 0.033 0.000 2.123 524 D HA -0.112 4.528 4.640 -0.001 0.000 0.200 524 D C 1.924 178.144 176.300 -0.134 0.000 0.976 524 D CA 1.257 55.314 54.000 0.096 0.000 0.831 524 D CB -0.296 40.715 40.800 0.351 0.000 0.974 524 D HN 0.462 nan 8.370 nan 0.000 0.469 525 M N 0.148 119.407 119.600 -0.568 0.000 2.175 525 M HA -0.133 4.347 4.480 -0.001 0.000 0.264 525 M C 1.696 177.724 176.300 -0.454 0.000 1.063 525 M CA 1.032 55.551 55.300 -1.301 0.000 1.119 525 M CB 0.137 31.636 32.600 -1.836 0.000 1.377 525 M HN -0.129 nan 8.290 nan 0.000 0.415 526 V N 0.437 120.224 119.914 -0.211 0.000 2.427 526 V HA -0.221 3.899 4.120 -0.001 0.000 0.248 526 V C 2.368 178.592 176.094 0.217 0.000 1.051 526 V CA 1.759 64.092 62.300 0.055 0.000 1.048 526 V CB -0.733 31.086 31.823 -0.006 0.000 0.666 526 V HN 0.502 nan 8.190 nan 0.000 0.456 527 E N -0.216 120.010 120.200 0.043 0.000 2.107 527 E HA -0.148 4.202 4.350 -0.001 0.000 0.191 527 E C 2.221 178.802 176.600 -0.032 0.000 0.982 527 E CA 1.753 58.169 56.400 0.026 0.000 0.809 527 E CB 0.104 29.821 29.700 0.028 0.000 0.756 527 E HN 0.579 nan 8.360 nan 0.000 0.459 528 T N 0.018 114.541 114.554 -0.052 0.000 3.021 528 T HA 0.025 4.375 4.350 -0.001 0.000 0.245 528 T C 1.811 176.455 174.700 -0.092 0.000 1.028 528 T CA 0.395 62.484 62.100 -0.018 0.000 1.139 528 T CB 0.208 69.170 68.868 0.157 0.000 0.884 528 T HN 0.014 nan 8.240 nan 0.000 0.457 529 K N 1.201 121.500 120.400 -0.168 0.000 2.288 529 K HA 0.132 4.451 4.320 -0.001 0.000 0.201 529 K C 2.172 178.567 176.600 -0.341 0.000 1.048 529 K CA 0.428 56.610 56.287 -0.175 0.000 0.956 529 K CB -0.268 32.096 32.500 -0.226 0.000 0.746 529 K HN 0.285 nan 8.250 nan 0.000 0.461 530 I N 0.930 121.004 120.570 -0.827 0.000 2.381 530 I HA -0.338 3.831 4.170 -0.001 0.000 0.255 530 I C 1.895 177.803 176.117 -0.348 0.000 1.140 530 I CA 1.379 62.179 61.300 -0.833 0.000 1.404 530 I CB -0.142 37.421 38.000 -0.728 0.000 1.075 530 I HN 0.237 nan 8.210 nan 0.000 0.433 531 A N -0.087 122.589 122.820 -0.240 0.000 2.024 531 A HA -0.287 4.033 4.320 -0.001 0.000 0.220 531 A C 2.134 179.640 177.584 -0.131 0.000 1.164 531 A CA 1.872 53.817 52.037 -0.152 0.000 0.643 531 A CB -0.525 18.405 19.000 -0.116 0.000 0.806 531 A HN 0.655 nan 8.150 nan 0.000 0.451 532 Q N -0.583 119.146 119.800 -0.118 0.000 1.990 532 Q HA -0.105 4.235 4.340 -0.001 0.000 0.200 532 Q C -0.461 175.489 176.000 -0.083 0.000 0.980 532 Q CA 1.545 57.304 55.803 -0.073 0.000 0.832 532 Q CB -1.052 27.685 28.738 -0.001 0.000 0.897 532 Q HN 0.512 nan 8.270 nan 0.000 0.427 533 P HA -0.188 nan 4.420 nan 0.000 0.216 533 P C 0.790 178.014 177.300 -0.126 0.000 1.153 533 P CA 1.419 64.413 63.100 -0.177 0.000 0.858 533 P CB -0.083 31.368 31.700 -0.415 0.000 0.789 534 R N -0.384 120.036 120.500 -0.134 0.000 2.193 534 R HA 0.003 4.342 4.340 -0.001 0.000 0.229 534 R C 2.143 178.392 176.300 -0.084 0.000 1.110 534 R CA 1.279 57.318 56.100 -0.102 0.000 0.988 534 R CB -0.642 29.596 30.300 -0.104 0.000 0.871 534 R HN 0.155 nan 8.270 nan 0.000 0.458 535 A N -0.950 121.818 122.820 -0.087 0.000 2.275 535 A HA 0.304 4.624 4.320 -0.001 0.000 0.212 535 A C 1.254 178.793 177.584 -0.074 0.000 1.201 535 A CA 0.614 52.603 52.037 -0.081 0.000 0.843 535 A CB 0.224 19.170 19.000 -0.090 0.000 0.873 535 A HN 0.384 nan 8.150 nan 0.000 0.492 536 G N -1.946 106.816 108.800 -0.064 0.000 2.163 536 G HA2 0.127 4.086 3.960 -0.001 0.000 0.213 536 G HA3 0.127 4.086 3.960 -0.001 0.000 0.213 536 G C 0.353 175.238 174.900 -0.026 0.000 0.991 536 G CA 0.030 45.102 45.100 -0.048 0.000 0.653 536 G HN 1.534 nan 8.290 nan 0.000 0.518 537 A N 1.047 123.854 122.820 -0.021 0.000 2.438 537 A HA 0.657 4.976 4.320 -0.001 0.000 0.280 537 A C 1.611 179.257 177.584 0.103 0.000 1.160 537 A CA 1.120 53.168 52.037 0.018 0.000 0.821 537 A CB 0.208 19.214 19.000 0.010 0.000 1.101 537 A HN 1.534 nan 8.150 nan 0.000 0.515 538 S N 1.766 117.527 115.700 0.101 0.000 2.481 538 S HA 0.068 4.538 4.470 -0.001 0.000 0.231 538 S C 0.846 175.529 174.600 0.138 0.000 0.996 538 S CA 1.081 59.360 58.200 0.132 0.000 0.942 538 S CB -0.164 63.089 63.200 0.088 0.000 0.768 538 S HN 0.853 nan 8.310 nan 0.000 0.520 539 T N -0.089 114.544 114.554 0.131 0.000 2.843 539 T HA 0.707 5.057 4.350 -0.001 0.000 0.302 539 T C -1.793 173.020 174.700 0.189 0.000 1.232 539 T CA 0.023 62.197 62.100 0.124 0.000 1.009 539 T CB 1.703 70.590 68.868 0.033 0.000 1.254 539 T HN 0.592 nan 8.240 nan 0.000 0.504 540 A N 1.145 124.152 122.820 0.312 0.000 2.610 540 A HA 0.688 5.007 4.320 -0.001 0.000 0.291 540 A C -2.321 175.567 177.584 0.507 0.000 1.086 540 A CA -0.774 51.468 52.037 0.341 0.000 0.677 540 A CB 0.903 20.143 19.000 0.399 0.000 1.278 540 A HN 0.639 nan 8.150 nan 0.000 0.414 541 W N 0.939 122.308 121.300 0.115 0.000 2.417 541 W HA 0.549 5.209 4.660 -0.001 0.000 0.317 541 W C -0.006 176.585 176.519 0.120 0.000 1.121 541 W CA -0.590 56.808 57.345 0.089 0.000 1.208 541 W CB 1.499 30.998 29.460 0.064 0.000 1.253 541 W HN 0.829 nan 8.180 nan 0.000 0.533 542 V N 2.099 122.160 119.914 0.244 0.000 2.914 542 V HA 0.622 4.742 4.120 -0.001 0.000 0.314 542 V C -2.112 174.040 176.094 0.097 0.000 1.084 542 V CA -2.355 60.047 62.300 0.170 0.000 0.963 542 V CB 2.564 34.466 31.823 0.131 0.000 1.025 542 V HN 0.387 nan 8.190 nan 0.000 0.432 543 P HA 0.168 nan 4.420 nan 0.000 0.255 543 P C 0.271 177.564 177.300 -0.011 0.000 1.248 543 P CA 0.777 63.915 63.100 0.065 0.000 0.807 543 P CB 0.444 32.218 31.700 0.125 0.000 1.150 544 S N -2.011 113.676 115.700 -0.022 0.000 2.578 544 S HA 0.382 4.851 4.470 -0.001 0.000 0.272 544 S C -2.616 171.953 174.600 -0.051 0.000 1.145 544 S CA -1.111 57.045 58.200 -0.073 0.000 0.835 544 S CB 1.396 64.542 63.200 -0.090 0.000 1.104 544 S HN -0.298 nan 8.310 nan 0.000 0.458 545 P HA -0.113 nan 4.420 nan 0.000 0.216 545 P C 1.449 178.729 177.300 -0.032 0.000 1.153 545 P CA 1.944 65.021 63.100 -0.037 0.000 0.858 545 P CB -0.583 31.096 31.700 -0.035 0.000 0.789 546 T N 0.381 114.911 114.554 -0.040 0.000 2.652 546 T HA -0.143 4.207 4.350 -0.001 0.000 0.267 546 T C 2.077 176.748 174.700 -0.048 0.000 1.039 546 T CA 2.024 64.101 62.100 -0.039 0.000 1.153 546 T CB -0.973 67.872 68.868 -0.039 0.000 0.863 546 T HN 0.111 nan 8.240 nan 0.000 0.428 547 A N 1.385 124.180 122.820 -0.043 0.000 1.940 547 A HA 0.042 4.361 4.320 -0.001 0.000 0.219 547 A C 2.620 180.195 177.584 -0.014 0.000 1.176 547 A CA 2.068 54.075 52.037 -0.050 0.000 0.631 547 A CB -1.113 17.876 19.000 -0.019 0.000 0.814 547 A HN 0.534 nan 8.150 nan 0.000 0.446 548 A N -1.202 121.621 122.820 0.005 0.000 1.873 548 A HA -0.079 4.241 4.320 -0.001 0.000 0.215 548 A C 2.300 179.887 177.584 0.005 0.000 1.186 548 A CA 2.259 54.315 52.037 0.031 0.000 0.616 548 A CB -1.375 17.625 19.000 0.001 0.000 0.823 548 A HN 0.419 nan 8.150 nan 0.000 0.442 549 T N 0.513 115.050 114.554 -0.027 0.000 2.699 549 T HA -0.148 4.202 4.350 -0.001 0.000 0.268 549 T C 1.762 176.413 174.700 -0.080 0.000 1.036 549 T CA 1.693 63.763 62.100 -0.049 0.000 1.147 549 T CB -0.384 68.457 68.868 -0.045 0.000 0.862 549 T HN 0.369 nan 8.240 nan 0.000 0.446 550 L N -0.438 120.731 121.223 -0.091 0.000 2.095 550 L HA -0.013 4.326 4.340 -0.001 0.000 0.204 550 L C 2.593 179.354 176.870 -0.182 0.000 1.080 550 L CA 1.093 55.841 54.840 -0.153 0.000 0.759 550 L CB -0.481 41.474 42.059 -0.173 0.000 0.914 550 L HN 0.243 nan 8.230 nan 0.000 0.439 551 H N 0.599 119.541 119.070 -0.212 0.000 2.389 551 H HA -0.073 4.483 4.556 -0.001 0.000 0.299 551 H C 2.096 177.441 175.328 0.028 0.000 1.081 551 H CA 0.941 56.888 56.048 -0.168 0.000 1.345 551 H CB -0.025 29.770 29.762 0.054 0.000 1.393 551 H HN 0.252 nan 8.280 nan 0.000 0.520 552 A N 0.918 123.774 122.820 0.060 0.000 1.971 552 A HA -0.231 4.088 4.320 -0.001 0.000 0.222 552 A C 2.654 180.363 177.584 0.209 0.000 1.182 552 A CA 1.918 54.015 52.037 0.099 0.000 0.649 552 A CB -1.160 17.858 19.000 0.031 0.000 0.818 552 A HN 0.501 nan 8.150 nan 0.000 0.458 553 L N -1.778 119.465 121.223 0.034 0.000 2.079 553 L HA -0.263 4.077 4.340 -0.001 0.000 0.210 553 L C 2.464 179.466 176.870 0.220 0.000 1.081 553 L CA 1.894 56.785 54.840 0.085 0.000 0.752 553 L CB -0.838 41.164 42.059 -0.094 0.000 0.896 553 L HN 0.577 nan 8.230 nan 0.000 0.433 554 H N -2.077 117.057 119.070 0.107 0.000 2.456 554 H HA -0.166 4.390 4.556 -0.001 0.000 0.296 554 H C 1.708 176.947 175.328 -0.148 0.000 1.079 554 H CA 1.222 57.236 56.048 -0.058 0.000 1.322 554 H CB 0.057 29.712 29.762 -0.177 0.000 1.388 554 H HN 0.337 nan 8.280 nan 0.000 0.538 555 Y N -1.060 119.297 120.300 0.095 0.000 2.523 555 Y HA -0.038 4.512 4.550 -0.001 0.000 0.279 555 Y C 2.135 178.082 175.900 0.078 0.000 1.139 555 Y CA 0.288 58.398 58.100 0.017 0.000 1.296 555 Y CB 0.126 38.512 38.460 -0.124 0.000 1.045 555 Y HN 0.365 nan 8.280 nan 0.000 0.538 556 H N -0.521 118.735 119.070 0.311 0.000 2.470 556 H HA -0.071 4.485 4.556 -0.001 0.000 0.289 556 H C 1.751 177.147 175.328 0.114 0.000 1.033 556 H CA 1.178 57.336 56.048 0.183 0.000 1.331 556 H CB 0.351 30.273 29.762 0.266 0.000 1.414 556 H HN 0.456 nan 8.280 nan 0.000 0.545 557 Q N 0.690 120.664 119.800 0.291 0.000 2.063 557 Q HA 0.024 4.364 4.340 -0.001 0.000 0.194 557 Q C 0.468 176.594 176.000 0.211 0.000 0.974 557 Q CA 0.270 56.196 55.803 0.205 0.000 0.827 557 Q CB 0.486 29.324 28.738 0.166 0.000 0.902 557 Q HN 0.060 nan 8.270 nan 0.000 0.462 558 V N 2.818 122.810 119.914 0.129 0.000 2.637 558 V HA -0.031 4.088 4.120 -0.001 0.000 0.296 558 V C -0.016 176.091 176.094 0.022 0.000 1.046 558 V CA 0.038 62.363 62.300 0.042 0.000 1.066 558 V CB 1.118 32.903 31.823 -0.065 0.000 0.968 558 V HN 0.267 nan 8.190 nan 0.000 0.483 559 D N 4.027 124.360 120.400 -0.111 0.000 2.479 559 D HA 0.199 4.838 4.640 -0.001 0.000 0.218 559 D C 0.803 176.978 176.300 -0.208 0.000 1.131 559 D CA -0.150 53.611 54.000 -0.399 0.000 0.916 559 D CB 1.425 42.042 40.800 -0.304 0.000 1.022 559 D HN 0.233 nan 8.370 nan 0.000 0.515 560 V N 3.946 123.767 119.914 -0.154 0.000 2.295 560 V HA -0.263 3.857 4.120 -0.001 0.000 0.246 560 V C 2.565 178.620 176.094 -0.065 0.000 1.049 560 V CA 2.137 64.399 62.300 -0.064 0.000 1.024 560 V CB -0.725 31.114 31.823 0.026 0.000 0.648 560 V HN 0.659 nan 8.190 nan 0.000 0.447 561 A N 0.125 122.895 122.820 -0.083 0.000 1.903 561 A HA -0.264 4.055 4.320 -0.001 0.000 0.219 561 A C 2.452 180.002 177.584 -0.057 0.000 1.191 561 A CA 2.677 54.679 52.037 -0.059 0.000 0.638 561 A CB -0.999 17.962 19.000 -0.064 0.000 0.823 561 A HN 0.624 nan 8.150 nan 0.000 0.451 562 A N -0.736 122.037 122.820 -0.079 0.000 1.883 562 A HA -0.055 4.265 4.320 -0.001 0.000 0.217 562 A C 2.261 179.816 177.584 -0.049 0.000 1.186 562 A CA 2.025 54.026 52.037 -0.060 0.000 0.624 562 A CB -1.131 17.829 19.000 -0.067 0.000 0.822 562 A HN 0.501 nan 8.150 nan 0.000 0.444 563 V N 0.242 120.122 119.914 -0.056 0.000 2.332 563 V HA -0.353 3.766 4.120 -0.001 0.000 0.248 563 V C 2.677 178.746 176.094 -0.042 0.000 1.055 563 V CA 2.291 64.562 62.300 -0.049 0.000 1.038 563 V CB -1.038 30.752 31.823 -0.055 0.000 0.651 563 V HN 0.637 nan 8.190 nan 0.000 0.450 564 Q N -0.707 119.070 119.800 -0.037 0.000 2.077 564 Q HA -0.320 4.019 4.340 -0.001 0.000 0.206 564 Q C 2.405 178.387 176.000 -0.029 0.000 0.989 564 Q CA 1.897 57.682 55.803 -0.029 0.000 0.853 564 Q CB -0.273 28.457 28.738 -0.013 0.000 0.907 564 Q HN 0.530 nan 8.270 nan 0.000 0.418 565 Q N -0.161 119.623 119.800 -0.027 0.000 2.084 565 Q HA -0.080 4.260 4.340 -0.001 0.000 0.202 565 Q C 2.066 178.051 176.000 -0.026 0.000 0.978 565 Q CA 1.656 57.444 55.803 -0.024 0.000 0.844 565 Q CB -0.775 27.950 28.738 -0.022 0.000 0.898 565 Q HN 0.522 nan 8.270 nan 0.000 0.426 566 G N -0.564 108.219 108.800 -0.029 0.000 2.443 566 G HA2 -0.159 3.800 3.960 -0.001 0.000 0.219 566 G HA3 -0.159 3.800 3.960 -0.001 0.000 0.219 566 G C 1.162 176.043 174.900 -0.032 0.000 1.131 566 G CA 0.422 45.505 45.100 -0.029 0.000 0.775 566 G HN 0.333 nan 8.290 nan 0.000 0.547 567 L N 0.418 121.619 121.223 -0.037 0.000 2.529 567 L HA 0.336 4.675 4.340 -0.001 0.000 0.223 567 L C 1.838 178.681 176.870 -0.045 0.000 1.113 567 L CA -0.311 54.504 54.840 -0.043 0.000 0.861 567 L CB -0.064 41.964 42.059 -0.051 0.000 1.012 567 L HN 0.195 nan 8.230 nan 0.000 0.461 568 A N 0.192 122.988 122.820 -0.040 0.000 2.565 568 A HA 0.307 4.626 4.320 -0.001 0.000 0.237 568 A C 1.482 179.041 177.584 -0.041 0.000 1.053 568 A CA 0.914 52.926 52.037 -0.042 0.000 0.755 568 A CB -0.314 18.666 19.000 -0.032 0.000 0.980 568 A HN 0.607 nan 8.150 nan 0.000 0.506 569 G N 1.720 110.491 108.800 -0.049 0.000 2.253 569 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.251 569 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.251 569 G C 0.434 175.311 174.900 -0.039 0.000 0.998 569 G CA 0.671 45.746 45.100 -0.043 0.000 0.621 569 G HN 0.886 nan 8.290 nan 0.000 0.524 570 K N 0.338 120.713 120.400 -0.041 0.000 2.276 570 K HA 0.461 4.781 4.320 -0.001 0.000 0.259 570 K C 0.299 176.878 176.600 -0.035 0.000 1.001 570 K CA -0.090 56.177 56.287 -0.034 0.000 0.927 570 K CB 0.506 32.986 32.500 -0.033 0.000 0.969 570 K HN 0.182 nan 8.250 nan 0.000 0.490 571 R N 2.359 122.847 120.500 -0.019 0.000 2.629 571 R HA 0.142 4.481 4.340 -0.001 0.000 0.277 571 R C 0.093 176.400 176.300 0.012 0.000 1.637 571 R CA -0.215 55.883 56.100 -0.004 0.000 1.663 571 R CB 0.660 30.964 30.300 0.007 0.000 1.228 571 R HN 0.525 nan 8.270 nan 0.000 0.632 572 R N 0.286 120.791 120.500 0.008 0.000 2.325 572 R HA 0.228 4.567 4.340 -0.001 0.000 0.214 572 R C 0.181 176.501 176.300 0.034 0.000 0.961 572 R CA 0.234 56.340 56.100 0.010 0.000 1.086 572 R CB 0.639 30.933 30.300 -0.009 0.000 1.037 572 R HN 0.231 nan 8.270 nan 0.000 0.493 573 A N 0.497 123.357 122.820 0.067 0.000 2.465 573 A HA 0.371 4.690 4.320 -0.001 0.000 0.292 573 A C -0.132 177.505 177.584 0.087 0.000 1.041 573 A CA -0.793 51.295 52.037 0.085 0.000 0.718 573 A CB 1.128 20.205 19.000 0.129 0.000 1.266 573 A HN 0.150 nan 8.150 nan 0.000 0.403 574 T N -0.444 114.143 114.554 0.054 0.000 2.881 574 T HA 0.488 4.838 4.350 -0.001 0.000 0.278 574 T C 1.200 175.917 174.700 0.028 0.000 0.982 574 T CA 0.119 62.246 62.100 0.046 0.000 0.989 574 T CB 0.723 69.614 68.868 0.038 0.000 1.058 574 T HN 1.425 nan 8.240 nan 0.000 0.529 575 I N -1.264 119.323 120.570 0.028 0.000 3.111 575 I HA 0.153 4.323 4.170 -0.001 0.000 0.272 575 I C 2.092 178.233 176.117 0.040 0.000 1.268 575 I CA 0.940 62.251 61.300 0.017 0.000 1.467 575 I CB -0.308 37.709 38.000 0.027 0.000 1.087 575 I HN 0.867 nan 8.210 nan 0.000 0.467 576 E N 0.906 121.132 120.200 0.042 0.000 2.107 576 E HA -0.226 4.124 4.350 -0.001 0.000 0.191 576 E C 2.181 178.809 176.600 0.046 0.000 0.982 576 E CA 1.029 57.456 56.400 0.046 0.000 0.809 576 E CB -0.058 29.665 29.700 0.039 0.000 0.756 576 E HN 0.661 nan 8.360 nan 0.000 0.459 577 Q N 0.164 119.992 119.800 0.046 0.000 2.084 577 Q HA -0.113 4.226 4.340 -0.001 0.000 0.202 577 Q C 2.305 178.361 176.000 0.093 0.000 0.978 577 Q CA 1.348 57.186 55.803 0.058 0.000 0.844 577 Q CB -0.019 28.747 28.738 0.046 0.000 0.898 577 Q HN 0.352 nan 8.270 nan 0.000 0.426 578 L N 0.043 121.311 121.223 0.074 0.000 2.131 578 L HA -0.167 4.172 4.340 -0.001 0.000 0.210 578 L C 1.686 178.634 176.870 0.131 0.000 1.092 578 L CA 0.890 55.792 54.840 0.102 0.000 0.759 578 L CB -0.122 41.937 42.059 -0.000 0.000 0.903 578 L HN 0.264 nan 8.230 nan 0.000 0.435 579 L N -1.577 119.704 121.223 0.096 0.000 2.628 579 L HA 0.097 4.437 4.340 -0.001 0.000 0.229 579 L C 0.614 177.478 176.870 -0.010 0.000 1.137 579 L CA -0.264 54.623 54.840 0.078 0.000 0.909 579 L CB -0.345 41.808 42.059 0.155 0.000 1.137 579 L HN -0.033 nan 8.230 nan 0.000 0.470 580 T N 2.445 117.028 114.554 0.048 0.000 2.761 580 T HA 0.228 4.578 4.350 -0.001 0.000 0.287 580 T C 0.436 175.165 174.700 0.047 0.000 0.931 580 T CA 0.180 62.301 62.100 0.035 0.000 1.164 580 T CB 0.008 68.923 68.868 0.079 0.000 0.876 580 T HN 0.033 nan 8.240 nan 0.000 0.534 581 I N 7.687 128.223 120.570 -0.056 0.000 2.471 581 I HA 0.182 4.351 4.170 -0.001 0.000 0.286 581 I C -1.363 174.755 176.117 0.001 0.000 1.079 581 I CA -2.070 59.175 61.300 -0.092 0.000 1.398 581 I CB 0.874 38.777 38.000 -0.160 0.000 1.403 581 I HN 0.381 nan 8.210 nan 0.000 0.530 582 P HA 0.156 nan 4.420 nan 0.000 0.226 582 P C -0.368 176.993 177.300 0.101 0.000 1.783 582 P CA 0.084 63.282 63.100 0.163 0.000 0.980 582 P CB -0.162 31.725 31.700 0.311 0.000 1.967 583 L N 0.556 121.810 121.223 0.051 0.000 2.439 583 L HA 0.346 4.685 4.340 -0.001 0.000 0.261 583 L C 1.999 178.905 176.870 0.062 0.000 1.153 583 L CA -0.543 54.318 54.840 0.034 0.000 0.808 583 L CB 0.479 42.525 42.059 -0.022 0.000 1.126 583 L HN 0.029 nan 8.230 nan 0.000 0.460 584 A N 1.188 124.048 122.820 0.066 0.000 1.898 584 A HA -0.105 4.214 4.320 -0.001 0.000 0.216 584 A C 1.076 178.592 177.584 -0.113 0.000 1.181 584 A CA 0.873 52.911 52.037 0.003 0.000 0.620 584 A CB -0.374 18.583 19.000 -0.071 0.000 0.819 584 A HN 0.803 nan 8.150 nan 0.000 0.442 585 K N -0.459 119.879 120.400 -0.103 0.000 4.007 585 K HA -0.165 4.154 4.320 -0.001 0.000 0.279 585 K C -0.685 175.838 176.600 -0.129 0.000 0.919 585 K CA 0.610 56.840 56.287 -0.095 0.000 0.800 585 K CB -1.049 31.418 32.500 -0.054 0.000 1.572 585 K HN 0.635 nan 8.250 nan 0.000 0.443 586 E N -2.529 117.568 120.200 -0.171 0.000 2.957 586 E HA -0.258 4.091 4.350 -0.001 0.000 0.287 586 E C -0.376 176.080 176.600 -0.240 0.000 0.976 586 E CA 1.147 57.438 56.400 -0.181 0.000 0.907 586 E CB -1.474 28.154 29.700 -0.120 0.000 1.456 586 E HN 0.376 nan 8.360 nan 0.000 0.421 587 L N 0.327 121.333 121.223 -0.362 0.000 2.262 587 L HA 0.582 4.921 4.340 -0.001 0.000 0.288 587 L C -0.121 176.263 176.870 -0.810 0.000 1.035 587 L CA -0.341 54.208 54.840 -0.486 0.000 0.820 587 L CB 1.346 43.138 42.059 -0.446 0.000 1.204 587 L HN 0.119 nan 8.230 nan 0.000 0.424 588 A N 6.494 128.983 122.820 -0.552 0.000 2.280 588 A HA 0.448 4.767 4.320 -0.001 0.000 0.320 588 A C -0.650 176.727 177.584 -0.345 0.000 1.366 588 A CA -0.642 51.109 52.037 -0.476 0.000 0.938 588 A CB -0.076 18.781 19.000 -0.238 0.000 1.157 588 A HN 0.734 nan 8.150 nan 0.000 0.536 589 W N 2.204 123.460 121.300 -0.074 0.000 2.216 589 W HA 0.421 5.080 4.660 -0.001 0.000 0.326 589 W C 0.696 177.191 176.519 -0.041 0.000 1.319 589 W CA -0.428 56.891 57.345 -0.043 0.000 1.213 589 W CB 0.375 29.808 29.460 -0.046 0.000 1.171 589 W HN 0.818 nan 8.180 nan 0.000 0.557 590 A N 5.864 128.798 122.820 0.190 0.000 2.386 590 A HA 0.156 4.475 4.320 -0.001 0.000 0.246 590 A C -0.646 177.009 177.584 0.118 0.000 1.089 590 A CA -0.839 51.267 52.037 0.113 0.000 0.790 590 A CB -0.304 18.746 19.000 0.083 0.000 1.042 590 A HN 0.435 nan 8.150 nan 0.000 0.497 591 P HA -0.223 nan 4.420 nan 0.000 0.216 591 P C 0.422 177.763 177.300 0.069 0.000 1.154 591 P CA 2.093 65.231 63.100 0.065 0.000 0.865 591 P CB -0.125 31.601 31.700 0.044 0.000 0.789 592 D N -0.272 120.168 120.400 0.068 0.000 2.097 592 D HA -0.153 4.487 4.640 -0.001 0.000 0.195 592 D C 2.113 178.458 176.300 0.074 0.000 0.989 592 D CA 1.065 55.101 54.000 0.061 0.000 0.827 592 D CB -0.437 40.396 40.800 0.054 0.000 0.966 592 D HN 0.322 nan 8.370 nan 0.000 0.456 593 E N 0.079 120.341 120.200 0.104 0.000 2.058 593 E HA -0.180 4.170 4.350 -0.001 0.000 0.194 593 E C 2.200 178.852 176.600 0.086 0.000 0.997 593 E CA 0.787 57.255 56.400 0.113 0.000 0.801 593 E CB -0.102 29.713 29.700 0.191 0.000 0.746 593 E HN 0.361 nan 8.360 nan 0.000 0.450 594 I N 0.402 121.024 120.570 0.087 0.000 2.286 594 I HA -0.245 3.924 4.170 -0.001 0.000 0.248 594 I C 2.552 178.752 176.117 0.138 0.000 1.115 594 I CA 0.919 62.286 61.300 0.112 0.000 1.392 594 I CB -0.143 37.872 38.000 0.025 0.000 1.065 594 I HN -0.058 nan 8.210 nan 0.000 0.418 595 R N 0.913 121.463 120.500 0.084 0.000 2.148 595 R HA -0.130 4.209 4.340 -0.001 0.000 0.227 595 R C 2.083 178.409 176.300 0.042 0.000 1.103 595 R CA 1.168 57.303 56.100 0.059 0.000 0.983 595 R CB -0.190 30.137 30.300 0.044 0.000 0.874 595 R HN 0.392 nan 8.270 nan 0.000 0.451 596 E N -0.377 119.851 120.200 0.046 0.000 2.046 596 E HA -0.203 4.146 4.350 -0.001 0.000 0.190 596 E C 1.496 178.105 176.600 0.014 0.000 0.982 596 E CA 1.156 57.577 56.400 0.035 0.000 0.800 596 E CB 0.053 29.788 29.700 0.057 0.000 0.756 596 E HN 0.238 nan 8.360 nan 0.000 0.449 597 E N 0.115 120.311 120.200 -0.006 0.000 2.058 597 E HA -0.165 4.184 4.350 -0.001 0.000 0.194 597 E C 1.972 178.473 176.600 -0.165 0.000 0.997 597 E CA 1.438 57.757 56.400 -0.135 0.000 0.801 597 E CB -0.150 29.372 29.700 -0.297 0.000 0.746 597 E HN 0.098 nan 8.360 nan 0.000 0.450 598 V N 1.189 121.057 119.914 -0.078 0.000 2.261 598 V HA -0.264 3.856 4.120 -0.001 0.000 0.246 598 V C 1.922 177.986 176.094 -0.050 0.000 1.047 598 V CA 2.179 64.440 62.300 -0.064 0.000 1.015 598 V CB -0.697 31.139 31.823 0.021 0.000 0.642 598 V HN 0.281 nan 8.190 nan 0.000 0.446 599 D N 0.033 120.421 120.400 -0.020 0.000 2.092 599 D HA -0.181 4.458 4.640 -0.001 0.000 0.193 599 D C 2.107 178.399 176.300 -0.014 0.000 0.994 599 D CA 1.588 55.582 54.000 -0.010 0.000 0.828 599 D CB -0.521 40.280 40.800 0.001 0.000 0.963 599 D HN 0.375 nan 8.370 nan 0.000 0.450 600 N N 0.776 119.467 118.700 -0.015 0.000 2.021 600 N HA -0.167 4.573 4.740 -0.001 0.000 0.198 600 N C 1.398 176.883 175.510 -0.041 0.000 1.041 600 N CA 1.371 54.416 53.050 -0.008 0.000 0.862 600 N CB -0.388 38.096 38.487 -0.005 0.000 1.048 600 N HN 0.108 nan 8.380 nan 0.000 0.427 601 N N -0.201 118.445 118.700 -0.090 0.000 2.120 601 N HA -0.101 4.638 4.740 -0.001 0.000 0.188 601 N C 1.859 177.324 175.510 -0.075 0.000 1.024 601 N CA 1.111 54.094 53.050 -0.112 0.000 0.852 601 N CB -0.656 37.721 38.487 -0.185 0.000 1.003 601 N HN 0.346 nan 8.380 nan 0.000 0.424 602 C N 0.966 120.229 119.300 -0.061 0.000 2.422 602 C HA -0.066 4.394 4.460 -0.001 0.000 0.279 602 C C 2.823 177.810 174.990 -0.005 0.000 1.305 602 C CA 0.403 59.397 59.018 -0.041 0.000 1.757 602 C CB -0.932 26.787 27.740 -0.035 0.000 1.962 602 C HN 0.512 nan 8.230 nan 0.000 0.499 603 Q N 0.428 120.232 119.800 0.007 0.000 1.990 603 Q HA -0.159 4.181 4.340 -0.001 0.000 0.200 603 Q C 2.436 178.460 176.000 0.039 0.000 0.980 603 Q CA 1.697 57.520 55.803 0.033 0.000 0.832 603 Q CB -0.190 28.568 28.738 0.033 0.000 0.897 603 Q HN 0.573 nan 8.270 nan 0.000 0.427 604 S N 0.425 116.136 115.700 0.019 0.000 2.392 604 S HA -0.208 4.262 4.470 -0.001 0.000 0.232 604 S C 1.789 176.418 174.600 0.048 0.000 1.041 604 S CA 1.383 59.595 58.200 0.020 0.000 1.026 604 S CB -0.292 62.893 63.200 -0.025 0.000 0.845 604 S HN 0.302 nan 8.310 nan 0.000 0.465 605 I N 0.721 121.306 120.570 0.025 0.000 2.141 605 I HA -0.150 4.019 4.170 -0.001 0.000 0.236 605 I C 2.112 178.281 176.117 0.086 0.000 1.071 605 I CA 1.025 62.350 61.300 0.043 0.000 1.345 605 I CB -0.426 37.561 38.000 -0.021 0.000 1.066 605 I HN 0.188 nan 8.210 nan 0.000 0.406 606 L N 0.702 121.963 121.223 0.063 0.000 2.043 606 L HA -0.203 4.137 4.340 -0.001 0.000 0.212 606 L C 2.651 179.605 176.870 0.140 0.000 1.075 606 L CA 1.755 56.657 54.840 0.103 0.000 0.752 606 L CB -1.202 40.932 42.059 0.125 0.000 0.891 606 L HN 0.396 nan 8.230 nan 0.000 0.432 607 G N -1.173 107.704 108.800 0.129 0.000 2.476 607 G HA2 -0.366 3.594 3.960 -0.001 0.000 0.218 607 G HA3 -0.366 3.594 3.960 -0.001 0.000 0.218 607 G C 1.476 176.481 174.900 0.175 0.000 1.164 607 G CA 1.122 46.300 45.100 0.131 0.000 0.768 607 G HN 0.368 nan 8.290 nan 0.000 0.560 608 Y N 0.838 121.182 120.300 0.073 0.000 2.206 608 Y HA 0.027 4.576 4.550 -0.001 0.000 0.292 608 Y C 2.866 178.863 175.900 0.161 0.000 1.123 608 Y CA 1.231 59.397 58.100 0.109 0.000 1.142 608 Y CB -0.228 38.283 38.460 0.085 0.000 1.006 608 Y HN 0.024 nan 8.280 nan 0.000 0.518 609 V N -0.896 119.081 119.914 0.106 0.000 2.407 609 V HA -0.245 3.874 4.120 -0.001 0.000 0.248 609 V C 2.366 178.498 176.094 0.063 0.000 1.055 609 V CA 1.568 63.886 62.300 0.030 0.000 1.049 609 V CB -0.827 31.017 31.823 0.035 0.000 0.662 609 V HN 0.382 nan 8.190 nan 0.000 0.455 610 V N 0.242 120.219 119.914 0.104 0.000 2.407 610 V HA -0.208 3.912 4.120 -0.001 0.000 0.248 610 V C 2.543 178.696 176.094 0.099 0.000 1.055 610 V CA 2.031 64.418 62.300 0.146 0.000 1.049 610 V CB -0.420 31.567 31.823 0.274 0.000 0.662 610 V HN 0.509 nan 8.190 nan 0.000 0.455 611 R N -2.256 118.278 120.500 0.057 0.000 2.240 611 R HA -0.065 4.275 4.340 -0.001 0.000 0.203 611 R C 1.893 178.121 176.300 -0.120 0.000 1.011 611 R CA 1.044 57.134 56.100 -0.017 0.000 1.007 611 R CB -0.196 30.088 30.300 -0.026 0.000 0.911 611 R HN 0.644 nan 8.270 nan 0.000 0.468 612 W N 0.280 121.395 121.300 -0.309 0.000 2.452 612 W HA -0.103 4.556 4.660 -0.001 0.000 0.313 612 W C 1.967 178.318 176.519 -0.281 0.000 1.176 612 W CA 0.871 58.013 57.345 -0.339 0.000 1.350 612 W CB -0.072 29.136 29.460 -0.421 0.000 1.148 612 W HN -0.270 nan 8.180 nan 0.000 0.498 613 V N 0.405 120.377 119.914 0.097 0.000 2.407 613 V HA -0.244 3.876 4.120 -0.001 0.000 0.245 613 V C 1.597 177.300 176.094 -0.652 0.000 1.041 613 V CA 2.218 64.480 62.300 -0.064 0.000 1.040 613 V CB -0.680 31.161 31.823 0.031 0.000 0.671 613 V HN 0.033 nan 8.190 nan 0.000 0.455 614 D N -0.367 119.627 120.400 -0.676 0.000 2.084 614 D HA -0.126 4.513 4.640 -0.001 0.000 0.199 614 D C 2.195 178.072 176.300 -0.705 0.000 0.981 614 D CA 1.261 54.599 54.000 -1.103 0.000 0.841 614 D CB -0.163 40.398 40.800 -0.398 0.000 0.997 614 D HN 0.383 nan 8.370 nan 0.000 0.454 615 Q N -0.915 118.678 119.800 -0.346 0.000 2.392 615 Q HA 0.276 4.616 4.340 -0.001 0.000 0.203 615 Q C 0.690 176.533 176.000 -0.260 0.000 0.917 615 Q CA 0.410 56.082 55.803 -0.220 0.000 0.939 615 Q CB 0.958 29.630 28.738 -0.111 0.000 1.063 615 Q HN 0.333 nan 8.270 nan 0.000 0.516 616 G N 0.588 109.171 108.800 -0.361 0.000 2.176 616 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.252 616 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.252 616 G C -0.178 174.404 174.900 -0.529 0.000 1.024 616 G CA 0.088 44.914 45.100 -0.458 0.000 0.755 616 G HN 0.215 nan 8.290 nan 0.000 0.507 617 V N 0.326 119.943 119.914 -0.495 0.000 2.350 617 V HA 0.638 4.758 4.120 -0.001 0.000 0.276 617 V C 1.368 177.137 176.094 -0.541 0.000 1.028 617 V CA 0.534 62.595 62.300 -0.399 0.000 0.860 617 V CB 1.439 33.134 31.823 -0.214 0.000 0.990 617 V HN 0.560 nan 8.190 nan 0.000 0.453 618 G N 3.042 111.573 108.800 -0.448 0.000 3.189 618 G HA2 0.171 4.131 3.960 -0.001 0.000 0.225 618 G HA3 0.171 4.131 3.960 -0.001 0.000 0.225 618 G C 0.210 175.286 174.900 0.293 0.000 1.159 618 G CA 0.342 45.296 45.100 -0.244 0.000 0.763 618 G HN 0.715 nan 8.290 nan 0.000 0.549 619 C N 0.303 119.738 119.300 0.225 0.000 2.752 619 C HA 0.794 5.253 4.460 -0.001 0.000 0.360 619 C C -0.792 174.356 174.990 0.263 0.000 1.081 619 C CA -0.478 58.756 59.018 0.360 0.000 1.272 619 C CB 0.878 28.752 27.740 0.222 0.000 1.754 619 C HN 0.095 nan 8.230 nan 0.000 0.483 620 S N 3.713 119.609 115.700 0.326 0.000 2.546 620 S HA 0.482 4.952 4.470 -0.001 0.000 0.274 620 S C -1.259 173.442 174.600 0.169 0.000 1.121 620 S CA -0.656 57.675 58.200 0.218 0.000 0.887 620 S CB 1.705 65.029 63.200 0.207 0.000 1.094 620 S HN 0.776 nan 8.310 nan 0.000 0.474 621 K N 2.282 122.751 120.400 0.115 0.000 2.315 621 K HA 0.340 4.660 4.320 -0.001 0.000 0.291 621 K C -1.193 175.451 176.600 0.073 0.000 1.074 621 K CA 0.002 56.338 56.287 0.082 0.000 0.936 621 K CB 0.203 32.742 32.500 0.066 0.000 1.049 621 K HN 0.316 nan 8.250 nan 0.000 0.471 622 V N 6.980 126.937 119.914 0.071 0.000 2.378 622 V HA 0.240 4.360 4.120 -0.001 0.000 0.288 622 V C -2.261 173.857 176.094 0.040 0.000 1.016 622 V CA -2.314 60.023 62.300 0.062 0.000 0.840 622 V CB 1.448 33.324 31.823 0.088 0.000 0.994 622 V HN 0.645 nan 8.190 nan 0.000 0.431 623 P HA 0.232 nan 4.420 nan 0.000 0.275 623 P C -0.797 176.525 177.300 0.037 0.000 1.227 623 P CA -0.188 62.931 63.100 0.033 0.000 0.781 623 P CB 0.704 32.422 31.700 0.031 0.000 0.906 624 D N 1.924 122.350 120.400 0.044 0.000 2.539 624 D HA 0.105 4.745 4.640 -0.001 0.000 0.280 624 D C 0.663 177.012 176.300 0.082 0.000 1.208 624 D CA -0.530 53.505 54.000 0.058 0.000 1.088 624 D CB 0.134 40.965 40.800 0.052 0.000 1.149 624 D HN 0.144 nan 8.370 nan 0.000 0.596 625 I N -0.817 119.826 120.570 0.121 0.000 3.646 625 I HA -0.042 4.128 4.170 -0.001 0.000 0.301 625 I C 0.430 176.522 176.117 -0.042 0.000 1.276 625 I CA 0.548 61.882 61.300 0.057 0.000 1.254 625 I CB -0.514 37.499 38.000 0.023 0.000 1.020 625 I HN 0.283 nan 8.210 nan 0.000 0.473 626 H N -0.608 118.461 119.070 -0.002 0.000 3.058 626 H HA 0.279 4.834 4.556 -0.001 0.000 0.266 626 H C 0.034 175.365 175.328 0.004 0.000 1.135 626 H CA -0.397 55.652 56.048 0.001 0.000 1.174 626 H CB 0.194 29.955 29.762 -0.002 0.000 1.581 626 H HN 0.127 nan 8.280 nan 0.000 0.553 627 D N 0.156 120.623 120.400 0.111 0.000 2.981 627 D HA -0.132 4.507 4.640 -0.001 0.000 0.223 627 D C -0.549 175.786 176.300 0.058 0.000 1.151 627 D CA 0.417 54.456 54.000 0.065 0.000 0.827 627 D CB -1.542 39.284 40.800 0.043 0.000 1.101 627 D HN 0.149 nan 8.370 nan 0.000 0.426 628 V N 0.721 120.671 119.914 0.060 0.000 2.427 628 V HA 0.439 4.559 4.120 -0.001 0.000 0.268 628 V C 1.210 177.318 176.094 0.024 0.000 1.046 628 V CA -0.326 61.995 62.300 0.034 0.000 0.970 628 V CB 1.362 33.189 31.823 0.008 0.000 1.001 628 V HN 0.359 nan 8.190 nan 0.000 0.476 629 A N 7.214 130.052 122.820 0.029 0.000 2.548 629 A HA 0.457 4.777 4.320 -0.001 0.000 0.247 629 A C -0.262 177.330 177.584 0.014 0.000 1.067 629 A CA 0.270 52.324 52.037 0.029 0.000 0.757 629 A CB -0.224 18.799 19.000 0.038 0.000 0.996 629 A HN 0.808 nan 8.150 nan 0.000 0.504 630 L N 3.019 124.248 121.223 0.009 0.000 2.365 630 L HA 0.411 4.751 4.340 -0.001 0.000 0.273 630 L C 0.178 177.053 176.870 0.007 0.000 1.000 630 L CA -0.448 54.383 54.840 -0.014 0.000 0.819 630 L CB 2.049 44.087 42.059 -0.036 0.000 1.284 630 L HN 0.756 nan 8.230 nan 0.000 0.418 631 M N 4.060 123.661 119.600 0.002 0.000 2.264 631 M HA 0.174 4.654 4.480 -0.001 0.000 0.340 631 M C -0.610 175.682 176.300 -0.013 0.000 1.420 631 M CA -0.038 55.277 55.300 0.024 0.000 1.254 631 M CB 0.151 32.777 32.600 0.042 0.000 1.575 631 M HN 0.493 nan 8.290 nan 0.000 0.452 632 E N 3.555 123.748 120.200 -0.012 0.000 2.191 632 E HA 0.324 4.674 4.350 -0.001 0.000 0.278 632 E C -0.915 175.516 176.600 -0.282 0.000 0.972 632 E CA -0.438 55.866 56.400 -0.160 0.000 0.804 632 E CB 1.724 31.329 29.700 -0.159 0.000 1.110 632 E HN 0.641 nan 8.360 nan 0.000 0.394 633 D N 1.006 121.126 120.400 -0.467 0.000 3.096 633 D HA 0.218 4.858 4.640 -0.001 0.000 0.277 633 D C 0.871 176.789 176.300 -0.637 0.000 1.256 633 D CA -0.667 53.040 54.000 -0.488 0.000 1.044 633 D CB 0.456 41.256 40.800 0.001 0.000 1.318 633 D HN 0.141 nan 8.370 nan 0.000 0.622 634 R N -0.519 119.914 120.500 -0.112 0.000 2.066 634 R HA 0.063 4.403 4.340 -0.001 0.000 0.232 634 R C 2.134 178.383 176.300 -0.084 0.000 1.131 634 R CA 1.497 57.577 56.100 -0.032 0.000 0.955 634 R CB -0.644 29.728 30.300 0.121 0.000 0.851 634 R HN 0.526 nan 8.270 nan 0.000 0.432 635 A N 0.909 123.694 122.820 -0.059 0.000 1.917 635 A HA -0.231 4.088 4.320 -0.001 0.000 0.219 635 A C 2.280 179.776 177.584 -0.146 0.000 1.182 635 A CA 2.363 54.352 52.037 -0.079 0.000 0.633 635 A CB -1.025 17.929 19.000 -0.076 0.000 0.819 635 A HN 0.563 nan 8.150 nan 0.000 0.448 636 T N -2.283 112.151 114.554 -0.201 0.000 2.812 636 T HA -0.084 4.265 4.350 -0.001 0.000 0.264 636 T C 1.754 176.335 174.700 -0.199 0.000 1.042 636 T CA 1.321 63.295 62.100 -0.210 0.000 1.140 636 T CB -0.486 68.245 68.868 -0.230 0.000 0.870 636 T HN 0.196 nan 8.240 nan 0.000 0.445 637 L N 1.378 122.454 121.223 -0.245 0.000 2.079 637 L HA 0.113 4.452 4.340 -0.001 0.000 0.210 637 L C 2.773 179.574 176.870 -0.114 0.000 1.081 637 L CA 1.582 56.322 54.840 -0.166 0.000 0.752 637 L CB -0.870 41.108 42.059 -0.135 0.000 0.896 637 L HN 0.236 nan 8.230 nan 0.000 0.433 638 R N -0.441 119.996 120.500 -0.104 0.000 2.080 638 R HA -0.174 4.165 4.340 -0.001 0.000 0.236 638 R C 2.312 178.552 176.300 -0.099 0.000 1.137 638 R CA 2.269 58.319 56.100 -0.084 0.000 0.943 638 R CB -0.384 29.881 30.300 -0.058 0.000 0.846 638 R HN 0.437 nan 8.270 nan 0.000 0.431 639 I N 0.319 120.823 120.570 -0.110 0.000 2.099 639 I HA -0.332 3.838 4.170 -0.001 0.000 0.239 639 I C 2.406 178.443 176.117 -0.133 0.000 1.066 639 I CA 1.586 62.818 61.300 -0.113 0.000 1.324 639 I CB -0.482 37.454 38.000 -0.107 0.000 1.037 639 I HN 0.194 nan 8.210 nan 0.000 0.401 640 S N 0.894 116.512 115.700 -0.137 0.000 2.377 640 S HA -0.274 4.196 4.470 -0.001 0.000 0.224 640 S C 2.222 176.733 174.600 -0.148 0.000 1.042 640 S CA 2.280 60.391 58.200 -0.149 0.000 1.086 640 S CB -0.715 62.411 63.200 -0.123 0.000 0.995 640 S HN 0.676 nan 8.310 nan 0.000 0.428 641 S N 1.600 117.231 115.700 -0.115 0.000 2.353 641 S HA -0.211 4.258 4.470 -0.001 0.000 0.222 641 S C 1.942 176.490 174.600 -0.088 0.000 1.035 641 S CA 1.183 59.325 58.200 -0.097 0.000 1.025 641 S CB -0.696 62.458 63.200 -0.077 0.000 0.902 641 S HN 0.292 nan 8.310 nan 0.000 0.440 642 Q N 1.111 120.863 119.800 -0.079 0.000 2.014 642 Q HA -0.046 4.294 4.340 -0.001 0.000 0.207 642 Q C 2.314 178.266 176.000 -0.081 0.000 0.993 642 Q CA 1.378 57.151 55.803 -0.049 0.000 0.850 642 Q CB -1.108 27.605 28.738 -0.043 0.000 0.916 642 Q HN 0.504 nan 8.270 nan 0.000 0.417 643 L N 0.547 121.678 121.223 -0.155 0.000 2.021 643 L HA -0.216 4.124 4.340 -0.001 0.000 0.215 643 L C 2.209 178.880 176.870 -0.331 0.000 1.074 643 L CA 1.691 56.367 54.840 -0.272 0.000 0.760 643 L CB -0.899 40.926 42.059 -0.391 0.000 0.889 643 L HN 0.296 nan 8.230 nan 0.000 0.433 644 L N -0.618 120.442 121.223 -0.273 0.000 2.131 644 L HA -0.181 4.158 4.340 -0.001 0.000 0.210 644 L C 2.735 179.589 176.870 -0.027 0.000 1.092 644 L CA 1.053 55.783 54.840 -0.184 0.000 0.759 644 L CB -0.646 41.325 42.059 -0.147 0.000 0.903 644 L HN 0.333 nan 8.230 nan 0.000 0.435 645 A N -0.055 122.753 122.820 -0.020 0.000 1.898 645 A HA -0.232 4.087 4.320 -0.001 0.000 0.216 645 A C 2.118 179.761 177.584 0.098 0.000 1.181 645 A CA 1.744 53.801 52.037 0.034 0.000 0.620 645 A CB -0.723 18.294 19.000 0.027 0.000 0.819 645 A HN 0.487 nan 8.150 nan 0.000 0.442 646 N N -1.277 117.490 118.700 0.111 0.000 2.043 646 N HA -0.228 4.511 4.740 -0.001 0.000 0.193 646 N C 1.671 177.423 175.510 0.403 0.000 1.037 646 N CA 1.910 55.097 53.050 0.228 0.000 0.851 646 N CB -0.256 38.334 38.487 0.173 0.000 1.027 646 N HN 0.607 nan 8.380 nan 0.000 0.422 647 W N 1.530 122.855 121.300 0.042 0.000 2.364 647 W HA -0.030 4.630 4.660 -0.001 0.000 0.281 647 W C 2.269 178.824 176.519 0.060 0.000 1.219 647 W CA 0.185 57.554 57.345 0.039 0.000 1.220 647 W CB -0.938 28.494 29.460 -0.046 0.000 1.127 647 W HN 0.158 nan 8.180 nan 0.000 0.556 648 L N -0.298 121.078 121.223 0.255 0.000 2.044 648 L HA -0.139 4.201 4.340 -0.001 0.000 0.205 648 L C 2.693 179.618 176.870 0.092 0.000 1.075 648 L CA 1.341 56.263 54.840 0.137 0.000 0.747 648 L CB -0.500 41.609 42.059 0.085 0.000 0.903 648 L HN -0.245 nan 8.230 nan 0.000 0.435 649 R N -0.878 119.680 120.500 0.096 0.000 2.193 649 R HA -0.166 4.174 4.340 -0.001 0.000 0.229 649 R C 1.028 177.169 176.300 -0.267 0.000 1.110 649 R CA 1.517 57.578 56.100 -0.066 0.000 0.988 649 R CB -0.233 30.025 30.300 -0.072 0.000 0.871 649 R HN 0.483 nan 8.270 nan 0.000 0.458 650 H N -2.254 116.842 119.070 0.044 0.000 2.674 650 H HA 0.357 4.912 4.556 -0.001 0.000 0.274 650 H C 0.479 175.812 175.328 0.009 0.000 1.121 650 H CA 0.252 56.314 56.048 0.023 0.000 1.132 650 H CB 1.060 30.836 29.762 0.024 0.000 1.606 650 H HN 0.273 nan 8.280 nan 0.000 0.558 651 G N 1.164 110.019 108.800 0.091 0.000 2.295 651 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.287 651 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.287 651 G C 0.929 175.849 174.900 0.034 0.000 1.055 651 G CA 0.708 45.839 45.100 0.052 0.000 0.922 651 G HN 0.342 nan 8.290 nan 0.000 0.503 652 V N -0.177 119.748 119.914 0.018 0.000 2.591 652 V HA 0.166 4.285 4.120 -0.001 0.000 0.249 652 V C 1.726 177.810 176.094 -0.016 0.000 1.053 652 V CA 1.924 64.169 62.300 -0.091 0.000 1.068 652 V CB -0.544 31.020 31.823 -0.433 0.000 0.689 652 V HN 0.827 nan 8.190 nan 0.000 0.462 653 I N -1.942 118.674 120.570 0.076 0.000 2.957 653 I HA 0.728 4.897 4.170 -0.001 0.000 0.310 653 I C -0.050 176.108 176.117 0.068 0.000 1.063 653 I CA -0.583 60.772 61.300 0.091 0.000 1.033 653 I CB 2.230 40.320 38.000 0.151 0.000 1.230 653 I HN 0.095 nan 8.210 nan 0.000 0.447 654 T N -0.745 113.839 114.554 0.051 0.000 2.936 654 T HA 0.297 4.646 4.350 -0.001 0.000 0.282 654 T C 1.145 175.867 174.700 0.035 0.000 1.003 654 T CA -0.039 62.084 62.100 0.037 0.000 1.005 654 T CB 1.503 70.387 68.868 0.027 0.000 1.097 654 T HN 0.818 nan 8.240 nan 0.000 0.532 655 S N 1.005 116.721 115.700 0.026 0.000 2.374 655 S HA -0.170 4.300 4.470 -0.001 0.000 0.227 655 S C 2.383 176.994 174.600 0.018 0.000 1.037 655 S CA 0.940 59.152 58.200 0.020 0.000 1.024 655 S CB -1.321 61.888 63.200 0.016 0.000 0.861 655 S HN 1.053 nan 8.310 nan 0.000 0.456 656 A N 2.426 125.259 122.820 0.021 0.000 1.902 656 A HA -0.130 4.189 4.320 -0.001 0.000 0.217 656 A C 1.978 179.574 177.584 0.020 0.000 1.181 656 A CA 1.682 53.731 52.037 0.020 0.000 0.623 656 A CB -0.992 18.020 19.000 0.020 0.000 0.818 656 A HN 0.425 nan 8.150 nan 0.000 0.443 657 D N -0.288 120.127 120.400 0.025 0.000 2.133 657 D HA -0.136 4.504 4.640 -0.001 0.000 0.195 657 D C 2.013 178.325 176.300 0.020 0.000 0.997 657 D CA 1.481 55.498 54.000 0.028 0.000 0.840 657 D CB -0.396 40.429 40.800 0.043 0.000 0.947 657 D HN 0.196 nan 8.370 nan 0.000 0.452 658 V N 0.518 120.441 119.914 0.015 0.000 2.295 658 V HA -0.242 3.877 4.120 -0.001 0.000 0.246 658 V C 2.489 178.571 176.094 -0.019 0.000 1.049 658 V CA 1.489 63.785 62.300 -0.007 0.000 1.024 658 V CB -0.330 31.482 31.823 -0.018 0.000 0.648 658 V HN 0.054 nan 8.190 nan 0.000 0.447 659 R N 1.094 121.591 120.500 -0.006 0.000 2.097 659 R HA -0.169 4.171 4.340 -0.001 0.000 0.236 659 R C 2.225 178.525 176.300 0.000 0.000 1.135 659 R CA 2.271 58.377 56.100 0.010 0.000 0.934 659 R CB -1.250 29.067 30.300 0.028 0.000 0.846 659 R HN 0.438 nan 8.270 nan 0.000 0.431 660 A N -0.779 122.039 122.820 -0.002 0.000 1.940 660 A HA -0.199 4.120 4.320 -0.001 0.000 0.219 660 A C 2.356 179.932 177.584 -0.014 0.000 1.176 660 A CA 2.233 54.264 52.037 -0.011 0.000 0.631 660 A CB -1.083 17.920 19.000 0.004 0.000 0.814 660 A HN 0.505 nan 8.150 nan 0.000 0.446 661 S N -0.642 115.055 115.700 -0.006 0.000 2.345 661 S HA -0.061 4.409 4.470 -0.001 0.000 0.220 661 S C 1.956 176.553 174.600 -0.006 0.000 1.031 661 S CA 1.229 59.426 58.200 -0.004 0.000 0.996 661 S CB -0.490 62.708 63.200 -0.003 0.000 0.882 661 S HN 0.492 nan 8.310 nan 0.000 0.445 662 L N 1.400 122.613 121.223 -0.016 0.000 2.043 662 L HA -0.153 4.186 4.340 -0.001 0.000 0.212 662 L C 2.752 179.665 176.870 0.071 0.000 1.075 662 L CA 1.681 56.522 54.840 0.000 0.000 0.752 662 L CB -0.588 41.403 42.059 -0.114 0.000 0.891 662 L HN 0.443 nan 8.230 nan 0.000 0.432 663 E N -0.176 119.985 120.200 -0.065 0.000 2.150 663 E HA -0.225 4.124 4.350 -0.001 0.000 0.193 663 E C 2.182 178.676 176.600 -0.177 0.000 0.985 663 E CA 1.179 57.337 56.400 -0.403 0.000 0.814 663 E CB -0.035 29.424 29.700 -0.402 0.000 0.752 663 E HN 0.572 nan 8.360 nan 0.000 0.466 664 R N -0.157 120.323 120.500 -0.035 0.000 2.189 664 R HA 0.063 4.403 4.340 -0.001 0.000 0.203 664 R C 1.878 178.216 176.300 0.062 0.000 1.012 664 R CA 0.345 56.464 56.100 0.032 0.000 1.015 664 R CB 0.028 30.343 30.300 0.025 0.000 0.938 664 R HN -0.015 nan 8.270 nan 0.000 0.472 665 M N 1.287 120.923 119.600 0.059 0.000 2.236 665 M HA 0.150 4.630 4.480 -0.001 0.000 0.266 665 M C 2.378 178.756 176.300 0.130 0.000 1.070 665 M CA 1.367 56.713 55.300 0.077 0.000 1.137 665 M CB -0.966 31.667 32.600 0.055 0.000 1.378 665 M HN 0.336 nan 8.290 nan 0.000 0.426 666 A N 1.057 123.989 122.820 0.187 0.000 1.908 666 A HA -0.114 4.205 4.320 -0.001 0.000 0.218 666 A C -0.321 177.435 177.584 0.286 0.000 1.181 666 A CA 1.607 53.824 52.037 0.300 0.000 0.627 666 A CB -2.079 17.207 19.000 0.477 0.000 0.818 666 A HN 0.335 nan 8.150 nan 0.000 0.445 667 P HA -0.068 nan 4.420 nan 0.000 0.219 667 P C 1.368 178.756 177.300 0.146 0.000 1.150 667 P CA 0.677 63.898 63.100 0.201 0.000 0.814 667 P CB -0.104 31.704 31.700 0.180 0.000 0.787 668 L N -0.822 120.476 121.223 0.125 0.000 2.056 668 L HA -0.134 4.206 4.340 -0.001 0.000 0.207 668 L C 2.245 179.164 176.870 0.082 0.000 1.078 668 L CA 1.351 56.244 54.840 0.088 0.000 0.749 668 L CB -1.109 40.992 42.059 0.070 0.000 0.901 668 L HN -0.130 nan 8.230 nan 0.000 0.433 669 V N -2.472 117.506 119.914 0.107 0.000 2.759 669 V HA -0.196 3.923 4.120 -0.001 0.000 0.256 669 V C 1.806 177.944 176.094 0.073 0.000 1.080 669 V CA 1.370 63.722 62.300 0.087 0.000 1.101 669 V CB -0.766 31.131 31.823 0.123 0.000 0.698 669 V HN 0.372 nan 8.190 nan 0.000 0.477 670 D N 0.501 121.002 120.400 0.169 0.000 2.123 670 D HA -0.110 4.529 4.640 -0.001 0.000 0.200 670 D C 2.301 178.662 176.300 0.100 0.000 0.976 670 D CA 1.147 55.292 54.000 0.242 0.000 0.831 670 D CB -0.269 40.696 40.800 0.275 0.000 0.974 670 D HN 0.339 nan 8.370 nan 0.000 0.469 671 R N 0.827 121.371 120.500 0.073 0.000 2.081 671 R HA -0.134 4.206 4.340 -0.001 0.000 0.235 671 R C 2.135 178.436 176.300 0.002 0.000 1.131 671 R CA 1.292 57.417 56.100 0.042 0.000 0.960 671 R CB 0.026 30.353 30.300 0.044 0.000 0.856 671 R HN 0.363 nan 8.270 nan 0.000 0.436 672 Q N -1.145 118.644 119.800 -0.018 0.000 2.311 672 Q HA -0.066 4.273 4.340 -0.001 0.000 0.203 672 Q C 0.791 176.725 176.000 -0.110 0.000 0.954 672 Q CA 1.232 57.010 55.803 -0.043 0.000 0.885 672 Q CB -0.163 28.559 28.738 -0.026 0.000 0.963 672 Q HN 0.260 nan 8.270 nan 0.000 0.471 673 N N 0.404 118.972 118.700 -0.220 0.000 2.336 673 N HA 0.185 4.924 4.740 -0.001 0.000 0.189 673 N C 1.207 176.547 175.510 -0.283 0.000 1.113 673 N CA 0.477 53.261 53.050 -0.444 0.000 0.858 673 N CB 0.341 38.129 38.487 -1.166 0.000 0.970 673 N HN 0.363 nan 8.380 nan 0.000 0.471 674 A N -0.131 122.640 122.820 -0.083 0.000 2.070 674 A HA 0.006 4.325 4.320 -0.001 0.000 0.220 674 A C 2.101 179.708 177.584 0.040 0.000 1.159 674 A CA 1.484 53.544 52.037 0.038 0.000 0.656 674 A CB -0.742 18.288 19.000 0.048 0.000 0.800 674 A HN 0.340 nan 8.150 nan 0.000 0.453 675 G N -1.084 107.719 108.800 0.004 0.000 2.813 675 G HA2 0.049 4.009 3.960 -0.001 0.000 0.209 675 G HA3 0.049 4.009 3.960 -0.001 0.000 0.209 675 G C 0.165 175.080 174.900 0.025 0.000 1.150 675 G CA 0.060 45.170 45.100 0.016 0.000 0.785 675 G HN 0.374 nan 8.290 nan 0.000 0.535 676 D N 0.188 120.605 120.400 0.029 0.000 2.350 676 D HA 0.187 4.827 4.640 -0.001 0.000 0.249 676 D C 1.673 178.025 176.300 0.086 0.000 1.119 676 D CA -0.249 53.782 54.000 0.053 0.000 0.886 676 D CB 2.211 43.048 40.800 0.062 0.000 1.195 676 D HN -0.075 nan 8.370 nan 0.000 0.437 677 V N 2.912 122.864 119.914 0.063 0.000 2.427 677 V HA -0.186 3.934 4.120 -0.001 0.000 0.248 677 V C 2.100 178.237 176.094 0.071 0.000 1.051 677 V CA 2.013 64.347 62.300 0.057 0.000 1.048 677 V CB -0.511 31.333 31.823 0.036 0.000 0.666 677 V HN 0.659 nan 8.190 nan 0.000 0.456 678 A N -1.866 121.005 122.820 0.084 0.000 2.132 678 A HA 0.093 4.412 4.320 -0.001 0.000 0.213 678 A C 1.066 178.723 177.584 0.122 0.000 1.154 678 A CA -0.037 52.050 52.037 0.083 0.000 0.753 678 A CB -0.343 18.692 19.000 0.058 0.000 0.826 678 A HN 0.495 nan 8.150 nan 0.000 0.469 679 Y N 2.169 122.481 120.300 0.019 0.000 2.442 679 Y HA 0.327 4.877 4.550 -0.001 0.000 0.330 679 Y C 0.287 176.211 175.900 0.041 0.000 1.129 679 Y CA -0.309 57.807 58.100 0.026 0.000 1.365 679 Y CB 0.390 38.864 38.460 0.023 0.000 1.233 679 Y HN 0.133 nan 8.280 nan 0.000 0.529 680 R N 7.918 128.091 120.500 -0.545 0.000 2.393 680 R HA 0.347 4.687 4.340 -0.001 0.000 0.315 680 R C -2.744 173.128 176.300 -0.713 0.000 0.952 680 R CA -1.893 53.954 56.100 -0.422 0.000 0.842 680 R CB 1.427 31.636 30.300 -0.152 0.000 1.163 680 R HN 0.519 nan 8.270 nan 0.000 0.450 681 P HA 0.235 nan 4.420 nan 0.000 0.281 681 P C 0.235 177.453 177.300 -0.137 0.000 1.249 681 P CA -0.437 62.502 63.100 -0.268 0.000 0.810 681 P CB 1.015 32.710 31.700 -0.007 0.000 1.008 682 M N 1.157 120.747 119.600 -0.017 0.000 2.134 682 M HA 0.040 4.520 4.480 -0.001 0.000 0.262 682 M C 1.274 177.427 176.300 -0.245 0.000 1.076 682 M CA 1.086 56.387 55.300 0.002 0.000 1.143 682 M CB -0.598 32.146 32.600 0.240 0.000 1.346 682 M HN 0.352 nan 8.290 nan 0.000 0.421 683 A N 1.365 124.032 122.820 -0.255 0.000 2.483 683 A HA 0.190 4.509 4.320 -0.001 0.000 0.238 683 A C -1.626 175.716 177.584 -0.402 0.000 1.070 683 A CA -0.993 50.670 52.037 -0.624 0.000 0.770 683 A CB -0.494 18.380 19.000 -0.209 0.000 1.008 683 A HN 0.253 nan 8.150 nan 0.000 0.497 684 P HA 0.027 nan 4.420 nan 0.000 0.238 684 P C 0.122 176.873 177.300 -0.916 0.000 1.183 684 P CA 0.214 62.912 63.100 -0.670 0.000 0.813 684 P CB 0.189 31.705 31.700 -0.307 0.000 0.944 685 N N 0.427 118.769 118.700 -0.596 0.000 2.807 685 N HA 0.116 4.856 4.740 -0.001 0.000 0.259 685 N C 0.416 175.683 175.510 -0.405 0.000 1.149 685 N CA -0.298 52.510 53.050 -0.402 0.000 1.042 685 N CB -0.316 38.046 38.487 -0.208 0.000 1.367 685 N HN -0.072 nan 8.380 nan 0.000 0.516 686 F N 0.416 120.194 119.950 -0.287 0.000 2.171 686 F HA -0.103 4.424 4.527 -0.001 0.000 0.300 686 F C 1.825 177.476 175.800 -0.248 0.000 1.090 686 F CA 0.688 58.360 58.000 -0.546 0.000 1.293 686 F CB 0.229 38.519 39.000 -1.184 0.000 1.013 686 F HN 0.272 nan 8.300 nan 0.000 0.486 687 D N -0.440 119.993 120.400 0.055 0.000 2.317 687 D HA -0.076 4.564 4.640 -0.001 0.000 0.211 687 D C 0.399 176.751 176.300 0.087 0.000 0.966 687 D CA 0.893 54.963 54.000 0.118 0.000 0.876 687 D CB -0.336 40.522 40.800 0.097 0.000 0.927 687 D HN 0.298 nan 8.370 nan 0.000 0.519 688 D N -0.007 120.413 120.400 0.032 0.000 2.894 688 D HA 0.074 4.714 4.640 -0.001 0.000 0.248 688 D C -0.363 175.959 176.300 0.038 0.000 1.291 688 D CA 0.054 54.068 54.000 0.022 0.000 0.840 688 D CB 0.185 40.974 40.800 -0.017 0.000 1.044 688 D HN -0.168 nan 8.370 nan 0.000 0.484 689 S N 0.124 115.887 115.700 0.105 0.000 2.746 689 S HA 0.266 4.736 4.470 -0.001 0.000 0.273 689 S C 1.078 175.812 174.600 0.224 0.000 1.172 689 S CA -0.628 57.666 58.200 0.156 0.000 1.116 689 S CB -0.005 63.295 63.200 0.166 0.000 1.057 689 S HN 0.056 nan 8.310 nan 0.000 0.483 690 I N 4.070 124.763 120.570 0.206 0.000 2.185 690 I HA -0.222 3.948 4.170 -0.001 0.000 0.246 690 I C 2.802 179.047 176.117 0.213 0.000 1.088 690 I CA 2.000 63.430 61.300 0.216 0.000 1.347 690 I CB -0.528 37.633 38.000 0.268 0.000 1.041 690 I HN 0.759 nan 8.210 nan 0.000 0.415 691 A N 0.553 123.512 122.820 0.231 0.000 1.859 691 A HA -0.286 4.034 4.320 -0.001 0.000 0.217 691 A C 2.302 180.005 177.584 0.198 0.000 1.198 691 A CA 2.006 54.152 52.037 0.182 0.000 0.629 691 A CB -1.231 17.871 19.000 0.169 0.000 0.830 691 A HN 0.442 nan 8.150 nan 0.000 0.446 692 F N 0.344 120.368 119.950 0.123 0.000 2.069 692 F HA -0.183 4.344 4.527 -0.001 0.000 0.298 692 F C 1.993 177.846 175.800 0.089 0.000 1.113 692 F CA 2.026 60.101 58.000 0.126 0.000 1.214 692 F CB -0.372 38.746 39.000 0.197 0.000 0.978 692 F HN 0.143 nan 8.300 nan 0.000 0.474 693 L N -0.306 121.053 121.223 0.227 0.000 2.187 693 L HA -0.222 4.118 4.340 -0.001 0.000 0.213 693 L C 2.656 179.526 176.870 0.000 0.000 1.100 693 L CA 1.069 55.972 54.840 0.105 0.000 0.765 693 L CB -0.954 41.203 42.059 0.163 0.000 0.904 693 L HN 0.293 nan 8.230 nan 0.000 0.437 694 A N -0.252 122.577 122.820 0.016 0.000 1.872 694 A HA -0.108 4.211 4.320 -0.001 0.000 0.214 694 A C 2.547 180.087 177.584 -0.073 0.000 1.187 694 A CA 1.442 53.470 52.037 -0.014 0.000 0.614 694 A CB -0.756 18.253 19.000 0.014 0.000 0.826 694 A HN 0.363 nan 8.150 nan 0.000 0.442 695 A N -0.835 121.922 122.820 -0.105 0.000 1.908 695 A HA -0.267 4.052 4.320 -0.001 0.000 0.218 695 A C 2.209 179.668 177.584 -0.208 0.000 1.181 695 A CA 1.887 53.833 52.037 -0.152 0.000 0.627 695 A CB -0.619 18.275 19.000 -0.177 0.000 0.818 695 A HN 0.638 nan 8.150 nan 0.000 0.445 696 Q N -0.817 118.804 119.800 -0.299 0.000 2.167 696 Q HA -0.184 4.156 4.340 -0.001 0.000 0.202 696 Q C 1.997 177.921 176.000 -0.127 0.000 0.970 696 Q CA 1.515 57.161 55.803 -0.263 0.000 0.855 696 Q CB -0.090 28.458 28.738 -0.317 0.000 0.911 696 Q HN 0.817 nan 8.270 nan 0.000 0.438 697 E N 0.004 120.151 120.200 -0.089 0.000 2.072 697 E HA -0.140 4.209 4.350 -0.001 0.000 0.191 697 E C 1.950 178.519 176.600 -0.050 0.000 0.985 697 E CA 0.652 57.023 56.400 -0.049 0.000 0.801 697 E CB 0.045 29.728 29.700 -0.028 0.000 0.750 697 E HN 0.354 nan 8.360 nan 0.000 0.452 698 L N 0.381 121.564 121.223 -0.067 0.000 2.456 698 L HA -0.127 4.213 4.340 -0.001 0.000 0.224 698 L C 1.866 178.701 176.870 -0.058 0.000 1.148 698 L CA 0.582 55.385 54.840 -0.062 0.000 0.825 698 L CB -0.071 41.944 42.059 -0.074 0.000 0.937 698 L HN 0.173 nan 8.230 nan 0.000 0.450 699 I N -1.599 118.932 120.570 -0.065 0.000 2.962 699 I HA -0.103 4.066 4.170 -0.001 0.000 0.246 699 I C 1.917 178.014 176.117 -0.032 0.000 1.091 699 I CA 0.403 61.669 61.300 -0.056 0.000 1.469 699 I CB -0.054 37.900 38.000 -0.077 0.000 1.324 699 I HN -0.022 nan 8.210 nan 0.000 0.461 700 L N 0.031 121.233 121.223 -0.035 0.000 2.456 700 L HA -0.087 4.253 4.340 -0.001 0.000 0.224 700 L C 1.806 178.673 176.870 -0.005 0.000 1.148 700 L CA 1.048 55.878 54.840 -0.016 0.000 0.825 700 L CB -0.208 41.840 42.059 -0.018 0.000 0.937 700 L HN 0.302 nan 8.230 nan 0.000 0.450 701 S N -1.319 114.376 115.700 -0.007 0.000 2.937 701 S HA 0.152 4.622 4.470 -0.001 0.000 0.252 701 S C 1.501 176.107 174.600 0.011 0.000 1.022 701 S CA 0.197 58.399 58.200 0.004 0.000 1.079 701 S CB 0.568 63.770 63.200 0.002 0.000 1.035 701 S HN 0.314 nan 8.310 nan 0.000 0.594 702 G N 1.520 110.325 108.800 0.008 0.000 2.408 702 G HA2 0.071 4.031 3.960 -0.001 0.000 0.217 702 G HA3 0.071 4.031 3.960 -0.001 0.000 0.217 702 G C 1.550 176.499 174.900 0.081 0.000 1.150 702 G CA 0.634 45.744 45.100 0.018 0.000 0.776 702 G HN 0.722 nan 8.290 nan 0.000 0.542 703 A N 0.092 122.961 122.820 0.081 0.000 2.125 703 A HA -0.008 4.311 4.320 -0.001 0.000 0.219 703 A C 2.202 179.887 177.584 0.168 0.000 1.156 703 A CA 1.808 53.911 52.037 0.110 0.000 0.671 703 A CB -0.155 18.865 19.000 0.034 0.000 0.794 703 A HN 0.435 nan 8.150 nan 0.000 0.459 704 Q N -0.871 118.997 119.800 0.113 0.000 2.319 704 Q HA 0.144 4.484 4.340 -0.001 0.000 0.209 704 Q C 0.002 176.041 176.000 0.065 0.000 0.884 704 Q CA -0.012 55.846 55.803 0.090 0.000 0.938 704 Q CB 0.325 29.092 28.738 0.048 0.000 1.098 704 Q HN 0.433 nan 8.270 nan 0.000 0.517 705 Q N 2.006 121.822 119.800 0.026 0.000 2.352 705 Q HA 0.170 4.510 4.340 -0.001 0.000 0.260 705 Q C -2.254 173.643 176.000 -0.172 0.000 0.976 705 Q CA -2.359 53.412 55.803 -0.054 0.000 0.881 705 Q CB 0.021 28.712 28.738 -0.078 0.000 1.235 705 Q HN 0.077 nan 8.270 nan 0.000 0.419 706 P HA -0.024 nan 4.420 nan 0.000 0.270 706 P C -0.480 176.583 177.300 -0.396 0.000 1.242 706 P CA 0.075 63.094 63.100 -0.136 0.000 0.768 706 P CB 0.416 32.123 31.700 0.013 0.000 0.820 707 N N 3.001 121.334 118.700 -0.613 0.000 2.681 707 N HA -0.230 4.509 4.740 -0.001 0.000 0.250 707 N C 1.046 175.919 175.510 -1.062 0.000 1.133 707 N CA 1.672 54.253 53.050 -0.782 0.000 0.732 707 N CB -1.791 36.303 38.487 -0.656 0.000 1.107 707 N HN 0.860 nan 8.380 nan 0.000 0.559 708 G N -1.355 106.741 108.800 -1.173 0.000 2.168 708 G HA2 -0.386 3.574 3.960 -0.001 0.000 0.263 708 G HA3 -0.386 3.574 3.960 -0.001 0.000 0.263 708 G C 0.093 174.789 174.900 -0.339 0.000 0.977 708 G CA 0.537 45.262 45.100 -0.624 0.000 0.659 708 G HN 0.599 nan 8.290 nan 0.000 0.533 709 Y N 0.565 120.754 120.300 -0.186 0.000 2.597 709 Y HA 0.273 4.823 4.550 -0.001 0.000 0.336 709 Y C 2.165 178.000 175.900 -0.109 0.000 1.216 709 Y CA 0.709 58.741 58.100 -0.112 0.000 1.463 709 Y CB 0.838 39.247 38.460 -0.085 0.000 1.303 709 Y HN 0.229 nan 8.280 nan 0.000 0.576 710 T N -2.737 111.869 114.554 0.086 0.000 3.054 710 T HA 0.108 4.458 4.350 -0.001 0.000 0.255 710 T C 0.966 175.618 174.700 -0.079 0.000 1.035 710 T CA 0.114 62.197 62.100 -0.028 0.000 0.941 710 T CB 0.040 68.871 68.868 -0.061 0.000 1.026 710 T HN 0.628 nan 8.240 nan 0.000 0.533 711 E N 2.335 122.503 120.200 -0.053 0.000 2.051 711 E HA -0.016 4.334 4.350 -0.001 0.000 0.192 711 E C -0.735 175.794 176.600 -0.119 0.000 0.991 711 E CA 1.427 57.752 56.400 -0.125 0.000 0.799 711 E CB -1.002 28.564 29.700 -0.223 0.000 0.748 711 E HN 0.424 nan 8.360 nan 0.000 0.449 712 P HA -0.216 nan 4.420 nan 0.000 0.215 712 P C 1.129 178.432 177.300 0.005 0.000 1.163 712 P CA 1.441 64.526 63.100 -0.026 0.000 0.894 712 P CB -0.038 31.659 31.700 -0.005 0.000 0.791 713 I N -2.144 118.412 120.570 -0.024 0.000 2.233 713 I HA -0.172 3.997 4.170 -0.001 0.000 0.243 713 I C 2.387 178.478 176.117 -0.044 0.000 1.093 713 I CA 1.125 62.411 61.300 -0.025 0.000 1.380 713 I CB -0.866 37.107 38.000 -0.046 0.000 1.067 713 I HN -0.135 nan 8.210 nan 0.000 0.413 714 L N 0.164 121.291 121.223 -0.161 0.000 2.012 714 L HA -0.251 4.089 4.340 -0.001 0.000 0.210 714 L C 2.756 179.617 176.870 -0.014 0.000 1.073 714 L CA 1.633 56.257 54.840 -0.361 0.000 0.748 714 L CB -1.007 40.382 42.059 -1.117 0.000 0.891 714 L HN 0.315 nan 8.230 nan 0.000 0.431 715 H N -0.692 118.361 119.070 -0.029 0.000 2.321 715 H HA -0.157 4.399 4.556 -0.001 0.000 0.300 715 H C 2.485 177.892 175.328 0.130 0.000 1.087 715 H CA 1.385 57.525 56.048 0.153 0.000 1.319 715 H CB 0.141 29.979 29.762 0.127 0.000 1.379 715 H HN 0.223 nan 8.280 nan 0.000 0.501 716 R N 1.040 121.661 120.500 0.201 0.000 2.075 716 R HA -0.119 4.221 4.340 -0.001 0.000 0.232 716 R C 2.302 178.677 176.300 0.126 0.000 1.126 716 R CA 1.118 57.300 56.100 0.135 0.000 0.963 716 R CB 0.022 30.377 30.300 0.092 0.000 0.858 716 R HN 0.127 nan 8.270 nan 0.000 0.435 717 R N -0.133 120.439 120.500 0.120 0.000 2.115 717 R HA -0.065 4.274 4.340 -0.001 0.000 0.226 717 R C 2.312 178.729 176.300 0.195 0.000 1.100 717 R CA 1.338 57.519 56.100 0.134 0.000 0.980 717 R CB -0.147 30.210 30.300 0.096 0.000 0.875 717 R HN 0.049 nan 8.270 nan 0.000 0.445 718 R N 0.241 120.874 120.500 0.221 0.000 2.073 718 R HA 0.038 4.378 4.340 -0.001 0.000 0.229 718 R C 1.982 178.401 176.300 0.198 0.000 1.120 718 R CA 1.393 57.633 56.100 0.234 0.000 0.967 718 R CB -0.152 30.330 30.300 0.303 0.000 0.862 718 R HN 0.035 nan 8.270 nan 0.000 0.436 719 R N 0.437 121.032 120.500 0.159 0.000 2.094 719 R HA -0.184 4.156 4.340 -0.001 0.000 0.239 719 R C 2.133 178.509 176.300 0.126 0.000 1.137 719 R CA 2.104 58.277 56.100 0.122 0.000 0.943 719 R CB -0.387 29.978 30.300 0.109 0.000 0.850 719 R HN 0.419 nan 8.270 nan 0.000 0.433 720 E N -0.338 119.941 120.200 0.132 0.000 2.035 720 E HA -0.276 4.073 4.350 -0.001 0.000 0.204 720 E C 1.799 178.479 176.600 0.132 0.000 1.025 720 E CA 1.973 58.442 56.400 0.116 0.000 0.835 720 E CB -0.297 29.475 29.700 0.120 0.000 0.764 720 E HN 0.260 nan 8.360 nan 0.000 0.457 721 F N 1.523 121.499 119.950 0.045 0.000 2.091 721 F HA -0.267 4.259 4.527 -0.001 0.000 0.299 721 F C 2.293 178.104 175.800 0.018 0.000 1.103 721 F CA 1.745 59.765 58.000 0.034 0.000 1.228 721 F CB 0.028 39.055 39.000 0.044 0.000 0.984 721 F HN -0.089 nan 8.300 nan 0.000 0.477 722 K N 0.075 120.661 120.400 0.309 0.000 2.057 722 K HA -0.181 4.139 4.320 -0.001 0.000 0.207 722 K C 2.273 178.899 176.600 0.043 0.000 1.049 722 K CA 1.163 57.562 56.287 0.187 0.000 0.931 722 K CB -0.547 32.038 32.500 0.143 0.000 0.714 722 K HN 0.403 nan 8.250 nan 0.000 0.440 723 A N 1.881 124.717 122.820 0.027 0.000 1.873 723 A HA -0.119 4.200 4.320 -0.001 0.000 0.215 723 A C 1.150 178.699 177.584 -0.059 0.000 1.186 723 A CA 0.925 52.958 52.037 -0.007 0.000 0.616 723 A CB -0.214 18.790 19.000 0.008 0.000 0.823 723 A HN 0.198 nan 8.150 nan 0.000 0.442 724 R N -0.214 120.220 120.500 -0.109 0.000 4.164 724 R HA 0.460 4.800 4.340 -0.001 0.000 0.195 724 R C 0.276 176.383 176.300 -0.322 0.000 1.712 724 R CA 0.710 56.696 56.100 -0.189 0.000 1.457 724 R CB -0.577 29.604 30.300 -0.199 0.000 1.387 724 R HN 0.480 nan 8.270 nan 0.000 0.785 725 A N -0.216 122.483 122.820 -0.202 0.000 2.260 725 A HA 0.215 4.534 4.320 -0.001 0.000 0.153 725 A C 1.363 178.900 177.584 -0.079 0.000 1.906 725 A CA 0.401 52.332 52.037 -0.178 0.000 1.444 725 A CB -0.175 18.736 19.000 -0.149 0.000 1.615 725 A HN 0.403 nan 8.150 nan 0.000 0.356 726 A N 0.786 123.573 122.820 -0.055 0.000 2.044 726 A HA 0.356 4.676 4.320 -0.001 0.000 0.213 726 A C 1.128 178.690 177.584 -0.037 0.000 1.169 726 A CA 1.161 53.179 52.037 -0.032 0.000 0.724 726 A CB -0.334 18.656 19.000 -0.016 0.000 0.840 726 A HN 0.746 nan 8.150 nan 0.000 0.463 727 E N 0.000 120.171 120.200 -0.049 0.000 2.725 727 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 727 E CA 0.000 56.374 56.400 -0.044 0.000 0.976 727 E CB 0.000 29.673 29.700 -0.045 0.000 0.812 727 E HN 0.000 nan 8.360 nan 0.000 0.440