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 1pg4_1_B DATA FIRST_RESID 5 DATA SEQUENCE HKHAIPANIA DRCLINPEQY ETKYKQSIND PDTFWGEQGK ILDWITPYQK DATA SEQUENCE VKNTSFAPGN VSIKWYEDGT LNLAANCLDR HLQENGDRTA IIWEGDDTSQ DATA SEQUENCE SKHISYRELH RDVCRFANTL LDLGIKKGDV VAIYMPMVPE AAVAMLACAR DATA SEQUENCE IGAVHSVIFG GFSPEAVAGC IIDSSSRLVI TADEGVRAGR SIPLKKNVDD DATA SEQUENCE ALKNPNVTSV EHVIVLKRTG SDIDWQEGRD LWWRDLIEKA SPEHQPEAMN DATA SEQUENCE AEDPLFILYT SGSTGKPKGV LHTTGGYLVY AATTFKYVFD YHPGDIYWCT DATA SEQUENCE ADVGWVTGHS YLLYGPLACG ATTLMFEGVP NWPTPARMCQ VVDKHQVNIL DATA SEQUENCE YTAPTAIRAL MAEGDKAIEG TDRSSLRILG SVGEPINPEA WEWYWKKIGK DATA SEQUENCE EKCPVVDTWW QTETGGFMIT PLPGAIELKA GSATRPFFGV QPALVDNEGH DATA SEQUENCE PQEGATEGNL VITDSWPGQA RTLFGDHERF EQTYFSTFKN MYFSGDGARR DATA SEQUENCE DEDGYYWITG RVDDVLNVSG HRLGTAEIES ALVAHPKIAE AAVVGIPHAI DATA SEQUENCE KGQAIYAYVT LNHGEEPSPE LYAEVRNWVR KEIGPLATPD VLHWTDSLPK DATA SEQUENCE TRSGKIMRRI LRKIAAGDXX XXGDTSTLAD PGVVEKLLEE KQA 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 H HA 0.000 nan 4.556 nan 0.000 0.296 5 H C 0.000 175.180 175.328 -0.247 0.000 0.993 5 H CA 0.000 55.931 56.048 -0.195 0.000 1.023 5 H CB 0.000 29.638 29.762 -0.207 0.000 1.292 6 K N 2.474 122.739 120.400 -0.225 0.000 2.174 6 K HA 0.346 4.666 4.320 -0.000 0.000 0.275 6 K C -0.573 175.892 176.600 -0.225 0.000 1.015 6 K CA -0.740 55.433 56.287 -0.190 0.000 0.933 6 K CB 0.849 33.270 32.500 -0.131 0.000 1.025 6 K HN 0.700 nan 8.250 nan 0.000 0.463 7 H N 1.102 120.112 119.070 -0.100 0.000 2.552 7 H HA 0.186 4.742 4.556 -0.000 0.000 0.311 7 H C 0.005 175.350 175.328 0.027 0.000 1.071 7 H CA -0.442 55.576 56.048 -0.049 0.000 1.307 7 H CB 1.494 31.213 29.762 -0.071 0.000 1.416 7 H HN 0.739 nan 8.280 nan 0.000 0.464 8 A N 4.396 127.296 122.820 0.134 0.000 2.448 8 A HA 0.138 4.458 4.320 -0.000 0.000 0.239 8 A C 0.607 178.280 177.584 0.149 0.000 1.080 8 A CA -0.299 51.807 52.037 0.115 0.000 0.779 8 A CB 0.050 19.104 19.000 0.090 0.000 1.026 8 A HN 0.740 nan 8.150 nan 0.000 0.499 9 I N 2.115 122.751 120.570 0.110 0.000 2.452 9 I HA 0.148 4.318 4.170 -0.000 0.000 0.287 9 I C -1.858 174.320 176.117 0.101 0.000 1.079 9 I CA -1.447 59.916 61.300 0.105 0.000 1.387 9 I CB 0.702 38.748 38.000 0.077 0.000 1.404 9 I HN 0.435 nan 8.210 nan 0.000 0.522 10 P HA -0.022 nan 4.420 nan 0.000 0.265 10 P C 0.480 177.817 177.300 0.061 0.000 1.187 10 P CA 0.036 63.190 63.100 0.090 0.000 0.766 10 P CB 0.854 32.604 31.700 0.082 0.000 0.820 11 A N 4.194 127.044 122.820 0.050 0.000 1.883 11 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 11 A C 1.948 179.548 177.584 0.026 0.000 1.186 11 A CA 2.030 54.089 52.037 0.037 0.000 0.624 11 A CB -1.254 17.764 19.000 0.030 0.000 0.822 11 A HN 0.752 nan 8.150 nan 0.000 0.444 12 N N 0.399 119.109 118.700 0.017 0.000 2.149 12 N HA -0.164 4.576 4.740 -0.000 0.000 0.188 12 N C 1.510 177.021 175.510 0.002 0.000 1.019 12 N CA 1.882 54.932 53.050 0.001 0.000 0.857 12 N CB -0.510 37.970 38.487 -0.012 0.000 0.997 12 N HN 0.405 nan 8.380 nan 0.000 0.426 13 I N 1.687 122.268 120.570 0.020 0.000 2.286 13 I HA -0.046 4.124 4.170 -0.000 0.000 0.245 13 I C 2.667 178.811 176.117 0.046 0.000 1.104 13 I CA 0.876 62.194 61.300 0.031 0.000 1.397 13 I CB -1.565 36.465 38.000 0.051 0.000 1.072 13 I HN 0.179 nan 8.210 nan 0.000 0.417 14 A N 0.492 123.341 122.820 0.048 0.000 1.972 14 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 14 A C 1.899 179.513 177.584 0.050 0.000 1.169 14 A CA 1.800 53.870 52.037 0.053 0.000 0.635 14 A CB -0.558 18.472 19.000 0.050 0.000 0.810 14 A HN 0.342 nan 8.150 nan 0.000 0.446 15 D N -0.557 119.865 120.400 0.036 0.000 2.219 15 D HA -0.092 4.548 4.640 -0.000 0.000 0.205 15 D C 1.871 178.195 176.300 0.039 0.000 0.970 15 D CA 1.445 55.464 54.000 0.031 0.000 0.851 15 D CB -0.072 40.737 40.800 0.015 0.000 0.943 15 D HN 0.798 nan 8.370 nan 0.000 0.488 16 R N -0.259 120.265 120.500 0.039 0.000 2.531 16 R HA 0.221 4.561 4.340 -0.000 0.000 0.316 16 R C 0.703 177.121 176.300 0.197 0.000 0.955 16 R CA -0.286 55.855 56.100 0.068 0.000 1.120 16 R CB -0.891 29.353 30.300 -0.093 0.000 1.361 16 R HN 0.101 nan 8.270 nan 0.000 0.534 17 C N 0.371 119.766 119.300 0.159 0.000 2.665 17 C HA 0.227 4.687 4.460 -0.000 0.000 0.416 17 C C 1.749 176.860 174.990 0.202 0.000 1.305 17 C CA -0.739 58.401 59.018 0.203 0.000 1.903 17 C CB 0.076 27.897 27.740 0.136 0.000 2.704 17 C HN 0.518 nan 8.230 nan 0.000 0.629 18 L N 1.578 122.927 121.223 0.210 0.000 2.270 18 L HA 0.235 4.575 4.340 -0.000 0.000 0.210 18 L C 0.536 177.483 176.870 0.129 0.000 1.104 18 L CA 0.769 55.715 54.840 0.176 0.000 0.804 18 L CB -0.409 41.810 42.059 0.266 0.000 0.937 18 L HN 0.635 nan 8.230 nan 0.000 0.450 19 I N 1.012 121.657 120.570 0.124 0.000 2.468 19 I HA 0.199 4.369 4.170 -0.000 0.000 0.285 19 I C -0.697 175.482 176.117 0.104 0.000 1.039 19 I CA -0.649 60.702 61.300 0.084 0.000 1.074 19 I CB 1.276 39.326 38.000 0.084 0.000 1.228 19 I HN 0.127 nan 8.210 nan 0.000 0.436 20 N N 7.070 125.826 118.700 0.095 0.000 2.478 20 N HA 0.530 5.270 4.740 -0.000 0.000 0.275 20 N C -2.386 173.192 175.510 0.114 0.000 1.221 20 N CA -1.633 51.471 53.050 0.090 0.000 0.979 20 N CB 0.238 38.769 38.487 0.072 0.000 1.202 20 N HN 0.092 nan 8.380 nan 0.000 0.564 21 P HA -0.180 nan 4.420 nan 0.000 0.215 21 P C 1.381 178.772 177.300 0.152 0.000 1.163 21 P CA 3.073 66.244 63.100 0.119 0.000 0.894 21 P CB -0.237 31.512 31.700 0.082 0.000 0.791 22 E N 0.120 120.381 120.200 0.101 0.000 2.077 22 E HA -0.290 4.060 4.350 -0.000 0.000 0.193 22 E C 2.011 178.652 176.600 0.069 0.000 0.989 22 E CA 1.715 58.162 56.400 0.077 0.000 0.800 22 E CB -1.704 28.026 29.700 0.050 0.000 0.746 22 E HN 0.442 nan 8.360 nan 0.000 0.452 23 Q N -1.694 118.151 119.800 0.074 0.000 2.124 23 Q HA -0.094 4.246 4.340 -0.000 0.000 0.202 23 Q C 2.184 178.227 176.000 0.072 0.000 0.977 23 Q CA 1.573 57.401 55.803 0.041 0.000 0.850 23 Q CB -0.312 28.447 28.738 0.034 0.000 0.901 23 Q HN 0.792 nan 8.270 nan 0.000 0.429 24 Y N 1.434 121.787 120.300 0.089 0.000 2.145 24 Y HA -0.291 4.259 4.550 -0.000 0.000 0.286 24 Y C 2.445 178.460 175.900 0.192 0.000 1.145 24 Y CA 2.317 60.543 58.100 0.210 0.000 1.148 24 Y CB -0.641 37.878 38.460 0.098 0.000 0.981 24 Y HN 0.180 nan 8.280 nan 0.000 0.507 25 E N -0.046 120.153 120.200 -0.002 0.000 2.058 25 E HA -0.255 4.095 4.350 -0.000 0.000 0.194 25 E C 2.061 178.597 176.600 -0.108 0.000 0.997 25 E CA 2.694 59.051 56.400 -0.072 0.000 0.801 25 E CB -1.884 27.855 29.700 0.066 0.000 0.746 25 E HN 0.713 nan 8.360 nan 0.000 0.450 26 T N -1.194 113.309 114.554 -0.086 0.000 2.777 26 T HA -0.107 4.243 4.350 -0.000 0.000 0.266 26 T C 2.132 176.708 174.700 -0.206 0.000 1.040 26 T CA 1.463 63.498 62.100 -0.108 0.000 1.141 26 T CB -0.156 68.667 68.868 -0.075 0.000 0.868 26 T HN 0.459 nan 8.240 nan 0.000 0.444 27 K N -0.193 120.024 120.400 -0.304 0.000 2.057 27 K HA -0.022 4.298 4.320 -0.000 0.000 0.206 27 K C 2.151 178.287 176.600 -0.774 0.000 1.050 27 K CA 1.366 57.313 56.287 -0.566 0.000 0.935 27 K CB -0.400 31.549 32.500 -0.917 0.000 0.715 27 K HN 0.421 nan 8.250 nan 0.000 0.439 28 Y N 2.305 122.235 120.300 -0.616 0.000 2.145 28 Y HA -0.260 4.290 4.550 -0.000 0.000 0.286 28 Y C 2.307 177.980 175.900 -0.378 0.000 1.145 28 Y CA 1.653 59.483 58.100 -0.450 0.000 1.148 28 Y CB -0.022 38.098 38.460 -0.567 0.000 0.981 28 Y HN -0.107 nan 8.280 nan 0.000 0.507 29 K N 0.009 120.253 120.400 -0.261 0.000 2.032 29 K HA -0.302 4.018 4.320 -0.000 0.000 0.209 29 K C 2.370 178.795 176.600 -0.292 0.000 1.048 29 K CA 1.995 58.156 56.287 -0.210 0.000 0.927 29 K CB -0.300 32.148 32.500 -0.086 0.000 0.712 29 K HN 0.507 nan 8.250 nan 0.000 0.441 30 Q N 0.264 119.873 119.800 -0.317 0.000 2.119 30 Q HA -0.133 4.207 4.340 -0.000 0.000 0.201 30 Q C 1.924 177.702 176.000 -0.370 0.000 0.972 30 Q CA 1.802 57.453 55.803 -0.253 0.000 0.847 30 Q CB -0.043 28.606 28.738 -0.148 0.000 0.903 30 Q HN 0.451 nan 8.270 nan 0.000 0.433 31 S N -0.230 114.981 115.700 -0.815 0.000 2.419 31 S HA -0.105 4.364 4.470 -0.000 0.000 0.233 31 S C 1.746 176.101 174.600 -0.407 0.000 1.016 31 S CA 0.833 58.433 58.200 -1.000 0.000 0.974 31 S CB -0.129 62.093 63.200 -1.631 0.000 0.786 31 S HN 0.355 nan 8.310 nan 0.000 0.492 32 I N 2.058 122.369 120.570 -0.432 0.000 2.556 32 I HA 0.160 4.330 4.170 -0.000 0.000 0.251 32 I C 1.907 177.960 176.117 -0.107 0.000 1.105 32 I CA 0.664 61.816 61.300 -0.247 0.000 1.436 32 I CB -1.745 36.042 38.000 -0.356 0.000 1.139 32 I HN 0.253 nan 8.210 nan 0.000 0.438 33 N N 0.584 119.211 118.700 -0.121 0.000 2.270 33 N HA -0.121 4.619 4.740 -0.000 0.000 0.181 33 N C 0.321 175.817 175.510 -0.024 0.000 1.016 33 N CA 1.014 54.031 53.050 -0.056 0.000 0.870 33 N CB 0.131 38.584 38.487 -0.057 0.000 0.979 33 N HN 0.181 nan 8.380 nan 0.000 0.431 34 D N -1.046 119.339 120.400 -0.024 0.000 2.621 34 D HA 0.158 4.798 4.640 -0.000 0.000 0.274 34 D C -2.076 174.281 176.300 0.095 0.000 1.215 34 D CA -1.905 52.112 54.000 0.028 0.000 0.810 34 D CB 0.889 41.701 40.800 0.020 0.000 1.248 34 D HN 0.008 nan 8.370 nan 0.000 0.517 35 P HA -0.118 nan 4.420 nan 0.000 0.218 35 P C 0.846 178.400 177.300 0.424 0.000 1.148 35 P CA 0.802 64.131 63.100 0.381 0.000 0.822 35 P CB 0.747 32.732 31.700 0.474 0.000 0.784 36 D N -0.478 120.059 120.400 0.228 0.000 2.104 36 D HA -0.104 4.536 4.640 -0.000 0.000 0.194 36 D C 2.037 178.451 176.300 0.191 0.000 0.994 36 D CA 1.531 55.635 54.000 0.174 0.000 0.830 36 D CB -0.925 39.916 40.800 0.067 0.000 0.959 36 D HN 0.141 nan 8.370 nan 0.000 0.452 37 T N 0.148 114.788 114.554 0.144 0.000 2.812 37 T HA -0.095 4.255 4.350 -0.000 0.000 0.264 37 T C 1.697 176.452 174.700 0.092 0.000 1.042 37 T CA 0.506 62.668 62.100 0.105 0.000 1.140 37 T CB -0.402 68.504 68.868 0.063 0.000 0.870 37 T HN 0.099 nan 8.240 nan 0.000 0.445 38 F N 0.371 120.289 119.950 -0.054 0.000 2.051 38 F HA -0.086 4.441 4.527 -0.000 0.000 0.296 38 F C 1.810 177.505 175.800 -0.175 0.000 1.122 38 F CA 1.298 59.163 58.000 -0.226 0.000 1.201 38 F CB -0.446 38.289 39.000 -0.442 0.000 0.978 38 F HN 0.214 nan 8.300 nan 0.000 0.472 39 W N 0.177 121.632 121.300 0.258 0.000 2.519 39 W HA 0.083 4.743 4.660 -0.000 0.000 0.266 39 W C 2.570 179.246 176.519 0.261 0.000 1.253 39 W CA 0.765 58.260 57.345 0.251 0.000 1.274 39 W CB -0.921 28.774 29.460 0.393 0.000 1.114 39 W HN 0.141 nan 8.180 nan 0.000 0.596 40 G N 0.549 109.583 108.800 0.390 0.000 2.422 40 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.218 40 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.218 40 G C 1.246 176.337 174.900 0.318 0.000 1.146 40 G CA 1.058 46.398 45.100 0.400 0.000 0.769 40 G HN 0.301 nan 8.290 nan 0.000 0.547 41 E N -0.530 119.738 120.200 0.114 0.000 2.086 41 E HA -0.057 4.293 4.350 -0.000 0.000 0.190 41 E C 2.441 179.048 176.600 0.012 0.000 0.975 41 E CA 0.741 57.152 56.400 0.017 0.000 0.813 41 E CB -0.085 29.552 29.700 -0.106 0.000 0.768 41 E HN 0.322 nan 8.360 nan 0.000 0.457 42 Q N 0.802 120.545 119.800 -0.095 0.000 2.291 42 Q HA -0.058 4.282 4.340 -0.000 0.000 0.205 42 Q C 1.886 178.043 176.000 0.263 0.000 0.970 42 Q CA 1.492 57.290 55.803 -0.008 0.000 0.876 42 Q CB -0.496 28.096 28.738 -0.243 0.000 0.935 42 Q HN 0.277 nan 8.270 nan 0.000 0.455 43 G N 0.158 109.178 108.800 0.367 0.000 2.498 43 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.219 43 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.219 43 G C 1.139 176.286 174.900 0.411 0.000 1.119 43 G CA 0.427 45.718 45.100 0.320 0.000 0.766 43 G HN 0.189 nan 8.290 nan 0.000 0.552 44 K N 0.299 120.877 120.400 0.297 0.000 2.574 44 K HA 0.120 4.440 4.320 -0.000 0.000 0.193 44 K C 1.894 178.620 176.600 0.210 0.000 1.035 44 K CA -0.057 56.376 56.287 0.243 0.000 0.982 44 K CB -0.222 32.354 32.500 0.127 0.000 0.795 44 K HN 0.495 nan 8.250 nan 0.000 0.491 45 I N 0.504 121.196 120.570 0.203 0.000 2.756 45 I HA -0.119 4.051 4.170 -0.000 0.000 0.262 45 I C 0.104 176.283 176.117 0.103 0.000 1.225 45 I CA 0.565 61.948 61.300 0.138 0.000 1.472 45 I CB 0.295 38.374 38.000 0.132 0.000 1.094 45 I HN -0.012 nan 8.210 nan 0.000 0.454 46 L N 0.218 121.524 121.223 0.138 0.000 2.322 46 L HA 0.411 4.751 4.340 -0.000 0.000 0.269 46 L C -0.828 176.033 176.870 -0.016 0.000 1.012 46 L CA -1.081 53.743 54.840 -0.027 0.000 0.815 46 L CB 1.184 43.107 42.059 -0.227 0.000 1.295 46 L HN -0.154 nan 8.230 nan 0.000 0.438 47 D N 0.436 120.741 120.400 -0.158 0.000 2.277 47 D HA 0.306 4.946 4.640 -0.000 0.000 0.249 47 D C -1.156 175.005 176.300 -0.232 0.000 1.134 47 D CA 0.183 54.132 54.000 -0.086 0.000 0.863 47 D CB 0.881 41.620 40.800 -0.102 0.000 1.143 47 D HN 0.137 nan 8.370 nan 0.000 0.458 48 W N 2.288 123.566 121.300 -0.036 0.000 2.573 48 W HA 0.406 5.066 4.660 -0.000 0.000 0.326 48 W C 1.301 177.803 176.519 -0.029 0.000 1.049 48 W CA -0.680 56.649 57.345 -0.025 0.000 1.220 48 W CB 0.761 30.196 29.460 -0.042 0.000 1.373 48 W HN 0.341 nan 8.180 nan 0.000 0.507 49 I N 1.466 122.126 120.570 0.151 0.000 2.286 49 I HA -0.105 4.065 4.170 -0.000 0.000 0.245 49 I C 1.112 177.297 176.117 0.114 0.000 1.104 49 I CA 1.183 62.539 61.300 0.092 0.000 1.397 49 I CB -0.335 37.698 38.000 0.055 0.000 1.072 49 I HN 0.382 nan 8.210 nan 0.000 0.417 50 T N -0.757 113.899 114.554 0.170 0.000 2.881 50 T HA 0.435 4.785 4.350 -0.000 0.000 0.290 50 T C -2.692 172.085 174.700 0.129 0.000 1.000 50 T CA -2.105 60.065 62.100 0.116 0.000 0.978 50 T CB 2.042 70.967 68.868 0.096 0.000 0.997 50 T HN -0.150 nan 8.240 nan 0.000 0.443 51 P HA 0.169 nan 4.420 nan 0.000 0.272 51 P C -0.792 176.355 177.300 -0.256 0.000 1.223 51 P CA -0.357 62.581 63.100 -0.269 0.000 0.784 51 P CB 0.315 31.845 31.700 -0.284 0.000 0.923 52 Y N -1.460 118.665 120.300 -0.292 0.000 2.354 52 Y HA 0.595 5.145 4.550 -0.000 0.000 0.322 52 Y C 1.642 177.476 175.900 -0.110 0.000 1.253 52 Y CA -0.692 57.294 58.100 -0.191 0.000 1.272 52 Y CB -0.650 37.647 38.460 -0.271 0.000 1.255 52 Y HN 0.434 nan 8.280 nan 0.000 0.500 53 Q N 1.214 121.120 119.800 0.177 0.000 2.619 53 Q HA 0.347 4.687 4.340 -0.000 0.000 0.230 53 Q C 0.930 177.019 176.000 0.149 0.000 0.871 53 Q CA 0.744 56.615 55.803 0.113 0.000 0.934 53 Q CB -0.799 27.965 28.738 0.043 0.000 1.183 53 Q HN 0.963 nan 8.270 nan 0.000 0.631 54 K N 0.649 121.108 120.400 0.098 0.000 2.270 54 K HA 0.619 4.939 4.320 -0.000 0.000 0.276 54 K C 0.880 177.465 176.600 -0.024 0.000 1.023 54 K CA 0.242 56.539 56.287 0.016 0.000 0.955 54 K CB 1.176 33.658 32.500 -0.030 0.000 0.975 54 K HN 0.426 nan 8.250 nan 0.000 0.471 55 V N 1.299 121.139 119.914 -0.124 0.000 3.204 55 V HA 0.232 4.352 4.120 -0.000 0.000 0.218 55 V C 0.832 176.619 176.094 -0.512 0.000 1.159 55 V CA 0.367 62.498 62.300 -0.282 0.000 1.282 55 V CB 0.135 31.904 31.823 -0.091 0.000 1.225 55 V HN 0.830 nan 8.190 nan 0.000 0.509 56 K N 2.086 122.143 120.400 -0.572 0.000 2.248 56 K HA 0.291 4.611 4.320 -0.000 0.000 0.281 56 K C -0.775 175.409 176.600 -0.695 0.000 1.054 56 K CA -0.056 55.589 56.287 -1.070 0.000 0.903 56 K CB 0.353 32.314 32.500 -0.899 0.000 1.077 56 K HN 0.391 nan 8.250 nan 0.000 0.474 57 N N 3.139 121.386 118.700 -0.755 0.000 2.722 57 N HA 0.106 4.846 4.740 -0.000 0.000 0.242 57 N C -1.903 173.359 175.510 -0.413 0.000 1.398 57 N CA -0.355 52.432 53.050 -0.438 0.000 0.755 57 N CB 1.098 39.405 38.487 -0.301 0.000 1.268 57 N HN 0.665 nan 8.380 nan 0.000 0.522 58 T N -1.698 112.619 114.554 -0.395 0.000 2.901 58 T HA 0.809 5.159 4.350 -0.000 0.000 0.293 58 T C -0.797 173.775 174.700 -0.213 0.000 1.084 58 T CA -0.799 61.128 62.100 -0.288 0.000 1.008 58 T CB 1.844 70.514 68.868 -0.329 0.000 1.170 58 T HN 0.111 nan 8.240 nan 0.000 0.509 59 S N 0.056 115.688 115.700 -0.113 0.000 2.566 59 S HA 0.529 4.999 4.470 -0.000 0.000 0.273 59 S C -1.017 173.678 174.600 0.159 0.000 1.157 59 S CA -0.891 57.280 58.200 -0.049 0.000 0.938 59 S CB 0.759 63.945 63.200 -0.024 0.000 1.087 59 S HN 0.736 nan 8.310 nan 0.000 0.474 60 F N 2.405 122.336 119.950 -0.032 0.000 2.647 60 F HA 0.350 4.877 4.527 -0.000 0.000 0.300 60 F C 1.462 177.245 175.800 -0.028 0.000 1.106 60 F CA -0.680 57.279 58.000 -0.068 0.000 1.313 60 F CB 0.434 39.554 39.000 0.200 0.000 1.007 60 F HN 0.737 nan 8.300 nan 0.000 0.536 61 A N 1.764 124.672 122.820 0.148 0.000 2.565 61 A HA 0.118 4.438 4.320 -0.000 0.000 0.237 61 A C -2.269 175.357 177.584 0.069 0.000 1.053 61 A CA -0.993 51.104 52.037 0.100 0.000 0.755 61 A CB -0.516 18.521 19.000 0.061 0.000 0.980 61 A HN 0.024 nan 8.150 nan 0.000 0.506 62 P HA 0.068 nan 4.420 nan 0.000 0.259 62 P C 1.132 178.458 177.300 0.045 0.000 1.163 62 P CA 2.067 65.208 63.100 0.068 0.000 0.760 62 P CB 0.302 32.041 31.700 0.064 0.000 0.762 63 G N 2.869 111.690 108.800 0.036 0.000 2.244 63 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.274 63 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.274 63 G C 0.327 175.260 174.900 0.056 0.000 1.002 63 G CA 0.036 45.159 45.100 0.038 0.000 0.740 63 G HN 0.663 nan 8.290 nan 0.000 0.516 64 N N -0.642 118.086 118.700 0.047 0.000 2.639 64 N HA 0.216 4.956 4.740 -0.000 0.000 0.265 64 N C -0.361 175.181 175.510 0.054 0.000 1.689 64 N CA -0.163 52.927 53.050 0.067 0.000 0.813 64 N CB 1.441 39.955 38.487 0.045 0.000 1.353 64 N HN 0.094 nan 8.380 nan 0.000 0.510 65 V N 0.823 120.775 119.914 0.064 0.000 2.498 65 V HA 0.430 4.550 4.120 -0.000 0.000 0.279 65 V C 0.425 176.619 176.094 0.167 0.000 1.048 65 V CA -0.048 62.243 62.300 -0.014 0.000 0.967 65 V CB 1.499 33.084 31.823 -0.396 0.000 0.988 65 V HN 0.293 nan 8.190 nan 0.000 0.473 66 S N 5.708 121.460 115.700 0.086 0.000 2.677 66 S HA 0.714 5.184 4.470 -0.000 0.000 0.283 66 S C -1.064 173.555 174.600 0.031 0.000 1.159 66 S CA -0.502 57.725 58.200 0.047 0.000 1.001 66 S CB 0.749 63.940 63.200 -0.016 0.000 1.032 66 S HN 0.533 nan 8.310 nan 0.000 0.487 67 I N 4.758 125.350 120.570 0.036 0.000 2.411 67 I HA 0.490 4.660 4.170 -0.000 0.000 0.284 67 I C -0.543 175.558 176.117 -0.027 0.000 1.012 67 I CA -0.423 60.889 61.300 0.021 0.000 1.119 67 I CB 1.733 39.806 38.000 0.122 0.000 1.261 67 I HN 0.410 nan 8.210 nan 0.000 0.448 68 K N 5.274 125.581 120.400 -0.154 0.000 2.468 68 K HA 0.579 4.899 4.320 -0.000 0.000 0.252 68 K C -1.894 174.505 176.600 -0.335 0.000 0.932 68 K CA -0.721 55.486 56.287 -0.133 0.000 0.794 68 K CB 2.478 34.899 32.500 -0.131 0.000 1.241 68 K HN 0.331 nan 8.250 nan 0.000 0.428 69 W N 1.927 123.130 121.300 -0.160 0.000 2.957 69 W HA 0.274 4.934 4.660 -0.000 0.000 0.336 69 W C -0.474 175.946 176.519 -0.166 0.000 1.087 69 W CA -0.283 56.868 57.345 -0.323 0.000 1.235 69 W CB 0.801 30.015 29.460 -0.409 0.000 1.399 69 W HN 0.665 nan 8.180 nan 0.000 0.480 70 Y N 0.369 120.678 120.300 0.015 0.000 3.721 70 Y HA -0.427 4.123 4.550 -0.000 0.000 0.218 70 Y C 2.036 177.965 175.900 0.049 0.000 1.188 70 Y CA 1.079 59.091 58.100 -0.146 0.000 1.607 70 Y CB -1.484 36.820 38.460 -0.260 0.000 1.496 70 Y HN 0.637 nan 8.280 nan 0.000 0.626 71 E N 1.046 121.325 120.200 0.133 0.000 2.187 71 E HA -0.282 4.068 4.350 -0.000 0.000 0.199 71 E C 1.287 177.970 176.600 0.138 0.000 1.004 71 E CA 1.889 58.360 56.400 0.119 0.000 0.813 71 E CB -0.209 29.507 29.700 0.027 0.000 0.736 71 E HN 0.705 nan 8.360 nan 0.000 0.468 72 D N 0.801 121.283 120.400 0.138 0.000 2.328 72 D HA 0.117 4.757 4.640 -0.000 0.000 0.221 72 D C 0.704 177.107 176.300 0.172 0.000 1.072 72 D CA 0.300 54.376 54.000 0.127 0.000 0.850 72 D CB 0.004 40.854 40.800 0.084 0.000 0.922 72 D HN 0.209 nan 8.370 nan 0.000 0.516 73 G N -0.169 108.791 108.800 0.268 0.000 2.462 73 G HA2 0.551 4.511 3.960 -0.000 0.000 0.319 73 G HA3 0.551 4.511 3.960 -0.000 0.000 0.319 73 G C -0.349 174.833 174.900 0.469 0.000 1.171 73 G CA -0.440 44.875 45.100 0.357 0.000 0.920 73 G HN 0.215 nan 8.290 nan 0.000 0.499 74 T N -1.761 113.078 114.554 0.475 0.000 2.906 74 T HA 0.758 5.108 4.350 -0.000 0.000 0.295 74 T C -0.345 174.488 174.700 0.221 0.000 1.061 74 T CA -0.578 61.697 62.100 0.291 0.000 1.000 74 T CB 1.644 70.609 68.868 0.162 0.000 1.103 74 T HN 1.372 nan 8.240 nan 0.000 0.486 75 L N -0.816 120.412 121.223 0.009 0.000 3.064 75 L HA 0.812 5.152 4.340 -0.000 0.000 0.282 75 L C -2.017 174.772 176.870 -0.135 0.000 1.045 75 L CA -1.299 53.436 54.840 -0.174 0.000 0.986 75 L CB 1.861 43.558 42.059 -0.605 0.000 1.571 75 L HN 0.807 nan 8.230 nan 0.000 0.377 76 N N -0.395 118.209 118.700 -0.160 0.000 2.430 76 N HA 0.414 5.154 4.740 -0.000 0.000 0.290 76 N C 0.080 175.515 175.510 -0.125 0.000 1.063 76 N CA -0.712 52.279 53.050 -0.097 0.000 0.883 76 N CB 2.314 40.778 38.487 -0.039 0.000 1.465 76 N HN 0.867 nan 8.380 nan 0.000 0.493 77 L N 3.886 125.038 121.223 -0.118 0.000 2.046 77 L HA 0.011 4.351 4.340 -0.000 0.000 0.208 77 L C 1.993 178.824 176.870 -0.065 0.000 1.077 77 L CA 2.078 56.837 54.840 -0.135 0.000 0.747 77 L CB -0.234 41.709 42.059 -0.193 0.000 0.896 77 L HN 0.764 nan 8.230 nan 0.000 0.432 78 A N -0.196 122.616 122.820 -0.012 0.000 1.933 78 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 78 A C 2.429 180.054 177.584 0.068 0.000 1.175 78 A CA 1.659 53.728 52.037 0.054 0.000 0.628 78 A CB -0.970 18.070 19.000 0.067 0.000 0.814 78 A HN 0.608 nan 8.150 nan 0.000 0.444 79 A N -0.035 122.801 122.820 0.026 0.000 1.930 79 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 79 A C 1.973 179.526 177.584 -0.051 0.000 1.175 79 A CA 1.554 53.598 52.037 0.012 0.000 0.627 79 A CB -0.554 18.434 19.000 -0.020 0.000 0.815 79 A HN 0.577 nan 8.150 nan 0.000 0.443 80 N N -0.634 118.016 118.700 -0.082 0.000 2.331 80 N HA -0.093 4.647 4.740 -0.000 0.000 0.180 80 N C 1.290 176.787 175.510 -0.022 0.000 1.019 80 N CA 1.373 54.349 53.050 -0.122 0.000 0.881 80 N CB -0.203 38.195 38.487 -0.148 0.000 0.972 80 N HN 0.499 nan 8.380 nan 0.000 0.435 81 C N -0.251 119.103 119.300 0.091 0.000 2.673 81 C HA 0.329 4.789 4.460 -0.000 0.000 0.264 81 C C 2.152 177.403 174.990 0.435 0.000 1.304 81 C CA -0.173 59.000 59.018 0.259 0.000 1.727 81 C CB -0.634 27.229 27.740 0.206 0.000 1.932 81 C HN 0.316 nan 8.230 nan 0.000 0.563 82 L N -0.882 120.532 121.223 0.318 0.000 3.358 82 L HA 0.228 4.568 4.340 -0.000 0.000 0.169 82 L C 1.662 178.676 176.870 0.240 0.000 1.158 82 L CA 0.151 55.237 54.840 0.410 0.000 0.861 82 L CB -0.898 41.380 42.059 0.366 0.000 1.597 82 L HN -0.104 nan 8.230 nan 0.000 0.580 83 D N 1.487 121.996 120.400 0.182 0.000 2.154 83 D HA -0.257 4.383 4.640 -0.000 0.000 0.190 83 D C 1.913 178.154 176.300 -0.099 0.000 1.003 83 D CA 2.126 56.140 54.000 0.024 0.000 0.849 83 D CB -0.280 40.566 40.800 0.077 0.000 0.942 83 D HN 0.324 nan 8.370 nan 0.000 0.446 84 R N -0.076 120.310 120.500 -0.189 0.000 2.293 84 R HA -0.086 4.254 4.340 -0.000 0.000 0.219 84 R C 1.085 177.186 176.300 -0.332 0.000 1.091 84 R CA 1.193 57.126 56.100 -0.279 0.000 1.004 84 R CB -0.421 29.671 30.300 -0.346 0.000 0.865 84 R HN 0.386 nan 8.270 nan 0.000 0.469 85 H N 0.286 119.286 119.070 -0.117 0.000 2.575 85 H HA 0.171 4.727 4.556 -0.000 0.000 0.267 85 H C 1.864 177.093 175.328 -0.165 0.000 0.966 85 H CA 0.236 56.150 56.048 -0.223 0.000 1.165 85 H CB 0.337 29.775 29.762 -0.540 0.000 1.433 85 H HN 0.196 nan 8.280 nan 0.000 0.544 86 L N 0.305 121.515 121.223 -0.022 0.000 2.027 86 L HA -0.197 4.143 4.340 -0.000 0.000 0.206 86 L C 2.708 179.563 176.870 -0.026 0.000 1.074 86 L CA 1.332 56.154 54.840 -0.031 0.000 0.745 86 L CB -0.444 41.541 42.059 -0.123 0.000 0.898 86 L HN 0.212 nan 8.230 nan 0.000 0.433 87 Q N 0.171 119.948 119.800 -0.038 0.000 2.096 87 Q HA -0.260 4.080 4.340 -0.000 0.000 0.204 87 Q C 2.162 178.158 176.000 -0.008 0.000 0.982 87 Q CA 2.673 58.462 55.803 -0.023 0.000 0.850 87 Q CB 0.080 28.801 28.738 -0.027 0.000 0.901 87 Q HN 0.597 nan 8.270 nan 0.000 0.422 88 E N -0.382 119.815 120.200 -0.005 0.000 2.340 88 E HA 0.057 4.407 4.350 -0.000 0.000 0.198 88 E C 0.418 177.023 176.600 0.009 0.000 0.961 88 E CA 0.763 57.166 56.400 0.005 0.000 0.905 88 E CB 0.137 29.843 29.700 0.009 0.000 0.884 88 E HN 0.583 nan 8.360 nan 0.000 0.491 89 N N -0.814 117.884 118.700 -0.002 0.000 2.451 89 N HA 0.292 5.032 4.740 -0.000 0.000 0.271 89 N C 1.330 176.864 175.510 0.040 0.000 1.410 89 N CA 0.326 53.373 53.050 -0.005 0.000 0.884 89 N CB 1.350 39.785 38.487 -0.087 0.000 1.332 89 N HN 0.255 nan 8.380 nan 0.000 0.498 90 G N 0.324 109.160 108.800 0.060 0.000 2.432 90 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.219 90 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.219 90 G C 1.055 176.040 174.900 0.142 0.000 1.135 90 G CA 0.801 45.967 45.100 0.110 0.000 0.767 90 G HN 0.261 nan 8.290 nan 0.000 0.550 91 D N -0.386 120.079 120.400 0.108 0.000 2.348 91 D HA 0.028 4.668 4.640 -0.000 0.000 0.211 91 D C 1.367 177.747 176.300 0.133 0.000 0.998 91 D CA -0.091 53.972 54.000 0.105 0.000 0.873 91 D CB 0.263 41.106 40.800 0.072 0.000 0.925 91 D HN 0.284 nan 8.370 nan 0.000 0.524 92 R N 1.203 121.806 120.500 0.173 0.000 2.590 92 R HA 0.073 4.413 4.340 -0.000 0.000 0.274 92 R C -0.351 176.107 176.300 0.263 0.000 1.061 92 R CA 0.105 56.331 56.100 0.210 0.000 1.081 92 R CB 0.486 30.912 30.300 0.211 0.000 0.984 92 R HN -0.240 nan 8.270 nan 0.000 0.448 93 T N 3.715 118.387 114.554 0.196 0.000 2.834 93 T HA 0.160 4.510 4.350 -0.000 0.000 0.298 93 T C 0.876 175.604 174.700 0.046 0.000 0.966 93 T CA 0.163 62.337 62.100 0.125 0.000 1.141 93 T CB 1.439 70.397 68.868 0.150 0.000 0.905 93 T HN 0.753 nan 8.240 nan 0.000 0.535 94 A N 4.429 127.110 122.820 -0.231 0.000 1.871 94 A HA 0.388 4.708 4.320 -0.000 0.000 0.211 94 A C 0.720 178.127 177.584 -0.295 0.000 1.207 94 A CA 0.483 52.128 52.037 -0.653 0.000 0.620 94 A CB 0.134 18.383 19.000 -1.252 0.000 0.860 94 A HN 0.757 nan 8.150 nan 0.000 0.450 95 I N 0.446 120.888 120.570 -0.213 0.000 2.466 95 I HA 0.376 4.546 4.170 -0.000 0.000 0.289 95 I C -1.272 174.758 176.117 -0.145 0.000 1.026 95 I CA -0.360 60.855 61.300 -0.142 0.000 1.078 95 I CB 2.072 39.997 38.000 -0.125 0.000 1.249 95 I HN 0.104 nan 8.210 nan 0.000 0.429 96 I N 5.100 125.547 120.570 -0.204 0.000 2.312 96 I HA 0.193 4.363 4.170 -0.000 0.000 0.290 96 I C -1.063 174.883 176.117 -0.285 0.000 1.008 96 I CA -0.343 60.706 61.300 -0.418 0.000 1.226 96 I CB 1.130 38.757 38.000 -0.622 0.000 1.371 96 I HN 0.573 nan 8.210 nan 0.000 0.468 97 W N 7.883 128.953 121.300 -0.384 0.000 2.376 97 W HA 0.424 5.084 4.660 -0.000 0.000 0.312 97 W C -0.322 176.071 176.519 -0.209 0.000 1.060 97 W CA -0.650 56.547 57.345 -0.247 0.000 1.221 97 W CB 1.126 30.483 29.460 -0.172 0.000 1.281 97 W HN 0.348 nan 8.180 nan 0.000 0.456 98 E N 4.464 124.193 120.200 -0.785 0.000 2.129 98 E HA 0.532 4.882 4.350 -0.000 0.000 0.268 98 E C 0.319 176.346 176.600 -0.955 0.000 0.900 98 E CA -0.559 55.464 56.400 -0.628 0.000 0.755 98 E CB 0.994 30.532 29.700 -0.271 0.000 1.117 98 E HN 0.543 nan 8.360 nan 0.000 0.410 99 G N 3.012 111.139 108.800 -1.122 0.000 2.606 99 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.252 99 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.252 99 G C 0.550 175.279 174.900 -0.286 0.000 1.206 99 G CA -0.110 44.423 45.100 -0.944 0.000 0.861 99 G HN 0.742 nan 8.290 nan 0.000 0.561 100 D N -1.050 119.233 120.400 -0.196 0.000 2.149 100 D HA -0.136 4.504 4.640 -0.000 0.000 0.198 100 D C 0.532 176.972 176.300 0.234 0.000 0.990 100 D CA 1.003 54.984 54.000 -0.033 0.000 0.839 100 D CB 0.191 40.930 40.800 -0.101 0.000 0.948 100 D HN 0.291 nan 8.370 nan 0.000 0.460 101 D N -0.855 119.629 120.400 0.141 0.000 2.280 101 D HA 0.028 4.668 4.640 -0.000 0.000 0.236 101 D C 0.607 176.941 176.300 0.056 0.000 1.082 101 D CA 0.015 54.117 54.000 0.170 0.000 0.834 101 D CB 1.594 42.480 40.800 0.143 0.000 1.100 101 D HN -0.077 nan 8.370 nan 0.000 0.486 102 T N 1.698 116.281 114.554 0.048 0.000 2.946 102 T HA -0.171 4.179 4.350 -0.000 0.000 0.271 102 T C 1.779 176.469 174.700 -0.016 0.000 1.104 102 T CA 1.986 64.083 62.100 -0.005 0.000 1.114 102 T CB -0.010 68.841 68.868 -0.029 0.000 0.867 102 T HN 0.481 nan 8.240 nan 0.000 0.513 103 S N -0.037 115.666 115.700 0.004 0.000 2.507 103 S HA 0.055 4.525 4.470 -0.000 0.000 0.235 103 S C 0.703 175.321 174.600 0.030 0.000 0.988 103 S CA 0.084 58.293 58.200 0.014 0.000 0.944 103 S CB -0.068 63.145 63.200 0.023 0.000 0.762 103 S HN 0.417 nan 8.310 nan 0.000 0.526 104 Q N 2.058 121.866 119.800 0.013 0.000 2.325 104 Q HA 0.653 4.993 4.340 -0.000 0.000 0.262 104 Q C -0.452 175.514 176.000 -0.057 0.000 0.968 104 Q CA -0.202 55.629 55.803 0.046 0.000 0.877 104 Q CB 1.636 30.430 28.738 0.094 0.000 1.253 104 Q HN 0.554 nan 8.270 nan 0.000 0.448 105 S N 1.390 117.152 115.700 0.103 0.000 2.625 105 S HA 0.838 5.308 4.470 -0.000 0.000 0.271 105 S C -1.067 173.716 174.600 0.306 0.000 1.161 105 S CA -0.867 57.394 58.200 0.102 0.000 0.820 105 S CB 2.636 65.898 63.200 0.104 0.000 1.137 105 S HN 0.401 nan 8.310 nan 0.000 0.470 106 K N -0.060 120.506 120.400 0.276 0.000 2.557 106 K HA 0.500 4.820 4.320 -0.000 0.000 0.261 106 K C -2.326 174.311 176.600 0.062 0.000 0.932 106 K CA -0.455 55.981 56.287 0.249 0.000 0.829 106 K CB 1.594 34.246 32.500 0.253 0.000 1.358 106 K HN 0.829 nan 8.250 nan 0.000 0.430 107 H N 2.283 121.387 119.070 0.056 0.000 2.762 107 H HA 0.404 4.960 4.556 -0.000 0.000 0.310 107 H C -0.807 174.526 175.328 0.008 0.000 1.004 107 H CA -0.370 55.690 56.048 0.020 0.000 1.267 107 H CB 0.523 30.301 29.762 0.027 0.000 1.437 107 H HN 0.273 nan 8.280 nan 0.000 0.498 108 I N 2.895 123.488 120.570 0.038 0.000 2.307 108 I HA 0.166 4.336 4.170 -0.000 0.000 0.289 108 I C 0.468 176.570 176.117 -0.024 0.000 1.021 108 I CA -0.610 60.689 61.300 -0.001 0.000 1.224 108 I CB 0.870 38.835 38.000 -0.057 0.000 1.376 108 I HN 0.551 nan 8.210 nan 0.000 0.470 109 S N 4.688 120.403 115.700 0.025 0.000 2.600 109 S HA 0.161 4.631 4.470 -0.000 0.000 0.265 109 S C 1.011 175.623 174.600 0.020 0.000 1.325 109 S CA -0.209 58.022 58.200 0.052 0.000 1.002 109 S CB 0.622 63.883 63.200 0.103 0.000 0.921 109 S HN 0.519 nan 8.310 nan 0.000 0.554 110 Y N 0.699 121.038 120.300 0.065 0.000 2.207 110 Y HA -0.101 4.449 4.550 -0.000 0.000 0.287 110 Y C 2.892 178.857 175.900 0.109 0.000 1.156 110 Y CA 1.973 60.123 58.100 0.083 0.000 1.182 110 Y CB -0.256 38.254 38.460 0.083 0.000 0.979 110 Y HN 0.680 nan 8.280 nan 0.000 0.521 111 R N 0.459 121.092 120.500 0.221 0.000 2.075 111 R HA -0.175 4.165 4.340 -0.000 0.000 0.232 111 R C 1.974 178.375 176.300 0.169 0.000 1.126 111 R CA 1.858 58.057 56.100 0.165 0.000 0.963 111 R CB -0.111 30.257 30.300 0.113 0.000 0.858 111 R HN 0.424 nan 8.270 nan 0.000 0.435 112 E N 0.262 120.532 120.200 0.116 0.000 2.047 112 E HA -0.218 4.132 4.350 -0.000 0.000 0.191 112 E C 1.961 178.607 176.600 0.077 0.000 0.987 112 E CA 1.077 57.528 56.400 0.085 0.000 0.799 112 E CB -0.143 29.588 29.700 0.052 0.000 0.752 112 E HN 0.159 nan 8.360 nan 0.000 0.449 113 L N 1.318 122.572 121.223 0.052 0.000 2.046 113 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 113 L C 2.406 179.327 176.870 0.085 0.000 1.077 113 L CA 1.896 56.750 54.840 0.024 0.000 0.747 113 L CB -0.699 41.325 42.059 -0.058 0.000 0.896 113 L HN 0.268 nan 8.230 nan 0.000 0.432 114 H N -0.032 119.077 119.070 0.065 0.000 2.319 114 H HA -0.233 4.323 4.556 -0.000 0.000 0.299 114 H C 2.412 177.785 175.328 0.075 0.000 1.092 114 H CA 2.167 58.268 56.048 0.089 0.000 1.302 114 H CB 0.070 29.901 29.762 0.116 0.000 1.373 114 H HN 0.353 nan 8.280 nan 0.000 0.497 115 R N 0.241 120.815 120.500 0.124 0.000 2.083 115 R HA -0.125 4.215 4.340 -0.000 0.000 0.237 115 R C 1.921 178.219 176.300 -0.003 0.000 1.137 115 R CA 2.007 58.142 56.100 0.059 0.000 0.951 115 R CB -0.060 30.308 30.300 0.114 0.000 0.851 115 R HN 0.341 nan 8.270 nan 0.000 0.434 116 D N -0.275 120.140 120.400 0.026 0.000 2.178 116 D HA -0.106 4.534 4.640 -0.000 0.000 0.202 116 D C 1.909 178.229 176.300 0.033 0.000 0.974 116 D CA 0.999 55.024 54.000 0.043 0.000 0.841 116 D CB 0.012 40.853 40.800 0.069 0.000 0.953 116 D HN 0.117 nan 8.370 nan 0.000 0.478 117 V N 0.565 120.474 119.914 -0.008 0.000 2.427 117 V HA -0.235 3.884 4.120 -0.000 0.000 0.248 117 V C 2.638 178.691 176.094 -0.069 0.000 1.051 117 V CA 1.100 63.395 62.300 -0.009 0.000 1.048 117 V CB -0.333 31.477 31.823 -0.021 0.000 0.666 117 V HN 0.285 nan 8.190 nan 0.000 0.456 118 C N -0.397 118.813 119.300 -0.149 0.000 2.446 118 C HA -0.106 4.354 4.460 -0.000 0.000 0.277 118 C C 2.881 177.810 174.990 -0.102 0.000 1.275 118 C CA 0.729 59.663 59.018 -0.141 0.000 1.727 118 C CB -1.106 26.546 27.740 -0.146 0.000 2.010 118 C HN 0.494 nan 8.230 nan 0.000 0.486 119 R N -0.521 119.944 120.500 -0.058 0.000 2.081 119 R HA -0.126 4.214 4.340 -0.000 0.000 0.235 119 R C 2.062 178.300 176.300 -0.103 0.000 1.131 119 R CA 1.504 57.570 56.100 -0.057 0.000 0.960 119 R CB -0.578 29.710 30.300 -0.019 0.000 0.856 119 R HN 0.524 nan 8.270 nan 0.000 0.436 120 F N 1.199 121.013 119.950 -0.227 0.000 2.259 120 F HA -0.004 4.523 4.527 -0.000 0.000 0.298 120 F C 2.274 177.913 175.800 -0.268 0.000 1.088 120 F CA 0.806 58.622 58.000 -0.307 0.000 1.358 120 F CB -0.197 38.607 39.000 -0.326 0.000 1.040 120 F HN -0.032 nan 8.300 nan 0.000 0.505 121 A N 0.261 122.948 122.820 -0.220 0.000 1.902 121 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 121 A C 2.127 179.468 177.584 -0.405 0.000 1.181 121 A CA 1.922 53.735 52.037 -0.373 0.000 0.623 121 A CB -0.838 17.797 19.000 -0.608 0.000 0.818 121 A HN 0.419 nan 8.150 nan 0.000 0.443 122 N N -0.411 118.097 118.700 -0.321 0.000 2.244 122 N HA -0.093 4.647 4.740 -0.000 0.000 0.183 122 N C 1.708 177.065 175.510 -0.255 0.000 1.016 122 N CA 1.729 54.659 53.050 -0.200 0.000 0.866 122 N CB -0.619 37.810 38.487 -0.097 0.000 0.980 122 N HN 0.487 nan 8.380 nan 0.000 0.430 123 T N 1.988 116.314 114.554 -0.379 0.000 2.708 123 T HA -0.020 4.330 4.350 -0.000 0.000 0.266 123 T C 2.151 176.557 174.700 -0.490 0.000 1.037 123 T CA 0.712 62.527 62.100 -0.475 0.000 1.146 123 T CB -0.193 68.230 68.868 -0.743 0.000 0.865 123 T HN 0.141 nan 8.240 nan 0.000 0.435 124 L N 0.343 121.222 121.223 -0.575 0.000 2.017 124 L HA -0.055 4.285 4.340 -0.000 0.000 0.208 124 L C 2.511 179.240 176.870 -0.236 0.000 1.073 124 L CA 1.167 55.762 54.840 -0.408 0.000 0.745 124 L CB -0.636 41.212 42.059 -0.351 0.000 0.894 124 L HN 0.248 nan 8.230 nan 0.000 0.432 125 L N -0.474 120.629 121.223 -0.201 0.000 2.046 125 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 125 L C 2.125 178.932 176.870 -0.104 0.000 1.077 125 L CA 1.097 55.868 54.840 -0.115 0.000 0.747 125 L CB -0.625 41.391 42.059 -0.072 0.000 0.896 125 L HN 0.278 nan 8.230 nan 0.000 0.432 126 D N -0.234 120.086 120.400 -0.133 0.000 2.264 126 D HA -0.117 4.523 4.640 -0.000 0.000 0.208 126 D C 1.915 178.143 176.300 -0.120 0.000 0.966 126 D CA 0.873 54.805 54.000 -0.113 0.000 0.864 126 D CB 0.122 40.847 40.800 -0.124 0.000 0.933 126 D HN 0.143 nan 8.370 nan 0.000 0.499 127 L N -0.723 120.408 121.223 -0.154 0.000 2.591 127 L HA 0.246 4.586 4.340 -0.000 0.000 0.228 127 L C 1.510 178.345 176.870 -0.059 0.000 1.133 127 L CA 0.764 55.515 54.840 -0.149 0.000 0.880 127 L CB 0.032 41.958 42.059 -0.220 0.000 1.033 127 L HN 0.184 nan 8.230 nan 0.000 0.450 128 G N -1.047 107.720 108.800 -0.055 0.000 2.179 128 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.220 128 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.220 128 G C 0.308 175.196 174.900 -0.021 0.000 0.990 128 G CA -0.038 45.049 45.100 -0.022 0.000 0.646 128 G HN 0.099 nan 8.290 nan 0.000 0.517 129 I N 1.413 121.958 120.570 -0.042 0.000 2.556 129 I HA 0.378 4.548 4.170 -0.000 0.000 0.284 129 I C 0.735 176.837 176.117 -0.025 0.000 1.114 129 I CA 0.420 61.701 61.300 -0.032 0.000 1.418 129 I CB 0.760 38.729 38.000 -0.051 0.000 1.394 129 I HN 0.155 nan 8.210 nan 0.000 0.552 130 K N 4.253 124.649 120.400 -0.007 0.000 2.433 130 K HA 0.361 4.681 4.320 -0.000 0.000 0.252 130 K C -0.412 176.195 176.600 0.011 0.000 1.015 130 K CA -1.165 55.122 56.287 0.001 0.000 0.860 130 K CB 2.203 34.705 32.500 0.004 0.000 1.359 130 K HN 0.353 nan 8.250 nan 0.000 0.452 131 K N 0.452 120.862 120.400 0.015 0.000 2.511 131 K HA -0.080 4.240 4.320 -0.000 0.000 0.280 131 K C 0.632 177.245 176.600 0.022 0.000 1.008 131 K CA 1.693 57.992 56.287 0.020 0.000 1.050 131 K CB -0.200 32.313 32.500 0.021 0.000 0.889 131 K HN 0.789 nan 8.250 nan 0.000 0.484 132 G N 3.246 112.062 108.800 0.026 0.000 2.279 132 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.223 132 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.223 132 G C -0.343 174.585 174.900 0.046 0.000 1.015 132 G CA 0.105 45.227 45.100 0.036 0.000 0.621 132 G HN 0.722 nan 8.290 nan 0.000 0.506 133 D N 0.739 121.160 120.400 0.035 0.000 2.399 133 D HA 0.448 5.088 4.640 -0.000 0.000 0.241 133 D C 0.619 176.937 176.300 0.031 0.000 1.133 133 D CA 0.110 54.131 54.000 0.035 0.000 0.890 133 D CB 1.778 42.592 40.800 0.023 0.000 1.201 133 D HN 0.209 nan 8.370 nan 0.000 0.432 134 V N 2.096 122.023 119.914 0.020 0.000 2.439 134 V HA 0.262 4.382 4.120 -0.000 0.000 0.282 134 V C 0.286 176.391 176.094 0.019 0.000 1.039 134 V CA -0.645 61.653 62.300 -0.003 0.000 0.913 134 V CB 1.777 33.553 31.823 -0.079 0.000 0.983 134 V HN 0.214 nan 8.190 nan 0.000 0.460 135 V N 4.237 124.182 119.914 0.053 0.000 2.409 135 V HA 0.674 4.794 4.120 -0.000 0.000 0.291 135 V C 0.398 176.542 176.094 0.082 0.000 1.020 135 V CA -0.650 61.693 62.300 0.071 0.000 0.848 135 V CB 1.657 33.542 31.823 0.104 0.000 0.990 135 V HN 0.984 nan 8.190 nan 0.000 0.430 136 A N 6.532 129.381 122.820 0.048 0.000 2.328 136 A HA 0.806 5.126 4.320 -0.000 0.000 0.284 136 A C -0.425 177.190 177.584 0.053 0.000 1.160 136 A CA -0.235 51.825 52.037 0.037 0.000 0.818 136 A CB 0.164 19.153 19.000 -0.018 0.000 1.087 136 A HN 0.790 nan 8.150 nan 0.000 0.504 137 I N 2.547 123.147 120.570 0.050 0.000 2.411 137 I HA 0.171 4.341 4.170 -0.000 0.000 0.284 137 I C -1.281 174.866 176.117 0.050 0.000 1.012 137 I CA -0.219 61.101 61.300 0.033 0.000 1.119 137 I CB 1.391 39.370 38.000 -0.035 0.000 1.261 137 I HN 0.732 nan 8.210 nan 0.000 0.448 138 Y N 8.263 128.495 120.300 -0.114 0.000 2.915 138 Y HA 0.528 5.078 4.550 -0.000 0.000 0.350 138 Y C -0.768 175.034 175.900 -0.163 0.000 1.061 138 Y CA -0.851 57.155 58.100 -0.156 0.000 1.179 138 Y CB 0.379 38.758 38.460 -0.135 0.000 1.180 138 Y HN 0.391 nan 8.280 nan 0.000 0.605 139 M N 5.292 124.746 119.600 -0.244 0.000 2.662 139 M HA 0.524 5.004 4.480 -0.000 0.000 0.310 139 M C -2.466 173.631 176.300 -0.339 0.000 1.204 139 M CA -1.896 53.226 55.300 -0.296 0.000 0.891 139 M CB 1.939 34.394 32.600 -0.242 0.000 1.732 139 M HN 0.293 nan 8.290 nan 0.000 0.467 140 P HA 0.358 nan 4.420 nan 0.000 0.297 140 P C -0.666 176.525 177.300 -0.180 0.000 1.307 140 P CA -0.482 62.463 63.100 -0.259 0.000 0.773 140 P CB 0.770 32.330 31.700 -0.232 0.000 1.265 141 M N 1.042 120.583 119.600 -0.100 0.000 3.237 141 M HA 0.167 4.647 4.480 -0.000 0.000 0.266 141 M C -0.086 176.275 176.300 0.101 0.000 1.456 141 M CA -0.147 55.148 55.300 -0.008 0.000 1.593 141 M CB -1.263 31.356 32.600 0.031 0.000 1.129 141 M HN 0.127 nan 8.290 nan 0.000 0.547 142 V N 0.548 120.400 119.914 -0.104 0.000 2.962 142 V HA 0.571 4.691 4.120 -0.000 0.000 0.313 142 V C -2.393 173.431 176.094 -0.452 0.000 1.099 142 V CA -1.832 60.251 62.300 -0.363 0.000 0.971 142 V CB 1.697 33.225 31.823 -0.491 0.000 1.028 142 V HN 0.214 nan 8.190 nan 0.000 0.430 143 P HA -0.129 nan 4.420 nan 0.000 0.216 143 P C 1.232 178.291 177.300 -0.402 0.000 1.150 143 P CA 1.667 64.505 63.100 -0.436 0.000 0.843 143 P CB 0.233 31.651 31.700 -0.471 0.000 0.787 144 E N -0.497 119.369 120.200 -0.557 0.000 2.209 144 E HA -0.158 4.192 4.350 -0.000 0.000 0.196 144 E C 2.083 178.378 176.600 -0.508 0.000 0.993 144 E CA 1.404 57.385 56.400 -0.698 0.000 0.819 144 E CB -1.013 27.890 29.700 -1.328 0.000 0.745 144 E HN 0.199 nan 8.360 nan 0.000 0.477 145 A N 0.966 123.536 122.820 -0.417 0.000 1.902 145 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 145 A C 2.369 179.789 177.584 -0.275 0.000 1.181 145 A CA 1.824 53.673 52.037 -0.314 0.000 0.623 145 A CB -0.815 18.018 19.000 -0.279 0.000 0.818 145 A HN 0.308 nan 8.150 nan 0.000 0.443 146 A N -0.609 122.057 122.820 -0.256 0.000 1.930 146 A HA 0.045 4.365 4.320 -0.000 0.000 0.217 146 A C 2.210 179.703 177.584 -0.152 0.000 1.175 146 A CA 1.651 53.555 52.037 -0.221 0.000 0.627 146 A CB -0.884 18.001 19.000 -0.191 0.000 0.815 146 A HN 0.379 nan 8.150 nan 0.000 0.443 147 V N -0.024 119.807 119.914 -0.138 0.000 2.332 147 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 147 V C 3.052 179.097 176.094 -0.081 0.000 1.055 147 V CA 2.021 64.281 62.300 -0.067 0.000 1.038 147 V CB -1.277 30.550 31.823 0.007 0.000 0.651 147 V HN 0.612 nan 8.190 nan 0.000 0.450 148 A N -0.700 122.031 122.820 -0.149 0.000 1.902 148 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 148 A C 2.244 179.825 177.584 -0.004 0.000 1.181 148 A CA 2.220 54.183 52.037 -0.124 0.000 0.623 148 A CB -0.465 18.481 19.000 -0.089 0.000 0.818 148 A HN 0.494 nan 8.150 nan 0.000 0.443 149 M N -0.749 118.772 119.600 -0.131 0.000 2.086 149 M HA -0.093 4.387 4.480 -0.000 0.000 0.261 149 M C 2.125 178.487 176.300 0.103 0.000 1.067 149 M CA 1.451 56.634 55.300 -0.195 0.000 1.116 149 M CB -0.483 31.836 32.600 -0.468 0.000 1.348 149 M HN 0.355 nan 8.290 nan 0.000 0.407 150 L N -0.352 120.933 121.223 0.103 0.000 2.083 150 L HA -0.165 4.175 4.340 -0.000 0.000 0.209 150 L C 2.766 179.708 176.870 0.119 0.000 1.083 150 L CA 1.079 56.016 54.840 0.161 0.000 0.752 150 L CB -0.795 41.335 42.059 0.117 0.000 0.899 150 L HN 0.309 nan 8.230 nan 0.000 0.433 151 A N -1.066 121.824 122.820 0.116 0.000 1.930 151 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 151 A C 2.400 180.038 177.584 0.089 0.000 1.175 151 A CA 1.633 53.732 52.037 0.104 0.000 0.627 151 A CB -1.068 18.088 19.000 0.260 0.000 0.815 151 A HN 0.511 nan 8.150 nan 0.000 0.443 152 C N -1.019 118.373 119.300 0.153 0.000 2.432 152 C HA 0.045 4.505 4.460 -0.000 0.000 0.277 152 C C 3.331 178.397 174.990 0.127 0.000 1.249 152 C CA 0.839 59.947 59.018 0.150 0.000 1.725 152 C CB -1.302 26.582 27.740 0.241 0.000 2.028 152 C HN 0.704 nan 8.230 nan 0.000 0.477 153 A N 0.246 123.166 122.820 0.167 0.000 1.940 153 A HA -0.241 4.079 4.320 -0.000 0.000 0.219 153 A C 2.257 179.870 177.584 0.048 0.000 1.176 153 A CA 1.859 53.953 52.037 0.094 0.000 0.631 153 A CB -0.670 18.375 19.000 0.075 0.000 0.814 153 A HN 0.664 nan 8.150 nan 0.000 0.446 154 R N 0.137 120.668 120.500 0.052 0.000 2.096 154 R HA -0.105 4.235 4.340 -0.000 0.000 0.235 154 R C 1.801 178.139 176.300 0.063 0.000 1.127 154 R CA 1.846 57.974 56.100 0.047 0.000 0.968 154 R CB -0.378 29.934 30.300 0.020 0.000 0.861 154 R HN 0.746 nan 8.270 nan 0.000 0.440 155 I N -3.765 116.823 120.570 0.029 0.000 3.883 155 I HA 0.372 4.542 4.170 -0.000 0.000 0.326 155 I C 0.725 176.864 176.117 0.037 0.000 1.283 155 I CA 0.556 61.881 61.300 0.042 0.000 1.161 155 I CB 0.707 38.699 38.000 -0.013 0.000 1.012 155 I HN 0.263 nan 8.210 nan 0.000 0.421 156 G N 1.691 110.511 108.800 0.033 0.000 2.143 156 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.249 156 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.249 156 G C 0.340 175.255 174.900 0.025 0.000 0.981 156 G CA 0.019 45.134 45.100 0.024 0.000 0.665 156 G HN 0.927 nan 8.290 nan 0.000 0.528 157 A N -0.089 122.753 122.820 0.036 0.000 2.366 157 A HA 0.695 5.015 4.320 -0.000 0.000 0.272 157 A C 0.585 178.199 177.584 0.050 0.000 1.135 157 A CA 0.010 52.072 52.037 0.042 0.000 0.804 157 A CB 1.095 20.123 19.000 0.047 0.000 1.064 157 A HN 1.141 nan 8.150 nan 0.000 0.499 158 V N 4.831 124.763 119.914 0.030 0.000 2.427 158 V HA 0.198 4.318 4.120 -0.000 0.000 0.268 158 V C 0.341 176.466 176.094 0.051 0.000 1.046 158 V CA -0.245 62.053 62.300 -0.004 0.000 0.970 158 V CB -0.265 31.544 31.823 -0.023 0.000 1.001 158 V HN 1.024 nan 8.190 nan 0.000 0.476 159 H N 2.079 121.222 119.070 0.121 0.000 2.525 159 H HA 0.608 5.164 4.556 -0.000 0.000 0.339 159 H C 0.010 175.420 175.328 0.137 0.000 1.109 159 H CA -0.725 55.390 56.048 0.113 0.000 1.352 159 H CB 1.265 31.091 29.762 0.105 0.000 1.461 159 H HN 0.478 nan 8.280 nan 0.000 0.533 160 S N 3.700 119.565 115.700 0.274 0.000 2.269 160 S HA 0.309 4.779 4.470 -0.000 0.000 0.194 160 S C -0.842 173.874 174.600 0.194 0.000 1.547 160 S CA -0.786 57.550 58.200 0.226 0.000 1.186 160 S CB -0.658 62.625 63.200 0.139 0.000 1.069 160 S HN 0.542 nan 8.310 nan 0.000 0.473 161 V N 5.952 126.010 119.914 0.240 0.000 2.637 161 V HA 0.344 4.464 4.120 -0.000 0.000 0.296 161 V C 0.182 176.279 176.094 0.006 0.000 1.046 161 V CA 0.098 62.453 62.300 0.091 0.000 1.066 161 V CB 0.824 32.703 31.823 0.093 0.000 0.968 161 V HN 0.719 nan 8.190 nan 0.000 0.483 162 I N 5.238 125.761 120.570 -0.078 0.000 2.418 162 I HA 0.303 4.473 4.170 -0.000 0.000 0.287 162 I C -0.232 175.732 176.117 -0.254 0.000 1.008 162 I CA -0.607 60.531 61.300 -0.271 0.000 1.104 162 I CB 1.491 39.347 38.000 -0.240 0.000 1.264 162 I HN 0.511 nan 8.210 nan 0.000 0.438 163 F N 5.216 124.736 119.950 -0.717 0.000 2.623 163 F HA 0.096 4.623 4.527 -0.000 0.000 0.383 163 F C 1.503 177.146 175.800 -0.261 0.000 1.077 163 F CA 0.085 57.701 58.000 -0.641 0.000 1.268 163 F CB 0.979 39.387 39.000 -0.985 0.000 1.053 163 F HN 0.625 nan 8.300 nan 0.000 0.571 164 G N 3.965 112.185 108.800 -0.967 0.000 2.501 164 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.220 164 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.220 164 G C 1.484 175.946 174.900 -0.731 0.000 1.114 164 G CA 0.538 45.070 45.100 -0.946 0.000 0.757 164 G HN 1.019 nan 8.290 nan 0.000 0.559 165 G N -0.386 107.720 108.800 -1.155 0.000 2.920 165 G HA2 0.192 4.152 3.960 -0.000 0.000 0.208 165 G HA3 0.192 4.152 3.960 -0.000 0.000 0.208 165 G C 0.138 175.145 174.900 0.179 0.000 1.159 165 G CA -0.582 44.300 45.100 -0.364 0.000 0.784 165 G HN 0.191 nan 8.290 nan 0.000 0.535 166 F N 2.204 122.176 119.950 0.036 0.000 2.471 166 F HA 0.315 4.842 4.527 -0.000 0.000 0.353 166 F C 1.437 177.263 175.800 0.044 0.000 1.113 166 F CA -1.328 56.730 58.000 0.098 0.000 1.262 166 F CB 1.059 40.118 39.000 0.099 0.000 1.146 166 F HN 0.038 nan 8.300 nan 0.000 0.578 167 S N 3.802 119.542 115.700 0.067 0.000 2.624 167 S HA 0.289 4.759 4.470 -0.000 0.000 0.263 167 S C -1.966 172.617 174.600 -0.029 0.000 1.287 167 S CA -1.030 57.167 58.200 -0.004 0.000 0.990 167 S CB 1.146 64.291 63.200 -0.092 0.000 0.950 167 S HN 0.370 nan 8.310 nan 0.000 0.561 168 P HA -0.084 nan 4.420 nan 0.000 0.216 168 P C 1.428 178.658 177.300 -0.118 0.000 1.150 168 P CA 1.254 64.291 63.100 -0.105 0.000 0.837 168 P CB 0.043 31.692 31.700 -0.086 0.000 0.786 169 E N -0.096 120.032 120.200 -0.119 0.000 2.072 169 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 169 E C 1.946 178.483 176.600 -0.104 0.000 0.985 169 E CA 1.539 57.865 56.400 -0.125 0.000 0.801 169 E CB -1.079 28.522 29.700 -0.166 0.000 0.750 169 E HN 0.048 nan 8.360 nan 0.000 0.452 170 A N -0.095 122.671 122.820 -0.090 0.000 1.898 170 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 170 A C 2.477 180.094 177.584 0.056 0.000 1.181 170 A CA 1.485 53.502 52.037 -0.034 0.000 0.620 170 A CB -0.673 18.249 19.000 -0.129 0.000 0.819 170 A HN 0.192 nan 8.150 nan 0.000 0.442 171 V N -0.066 119.840 119.914 -0.014 0.000 2.343 171 V HA -0.248 3.872 4.120 -0.000 0.000 0.247 171 V C 3.066 179.052 176.094 -0.180 0.000 1.051 171 V CA 1.903 64.103 62.300 -0.167 0.000 1.036 171 V CB -1.231 30.346 31.823 -0.410 0.000 0.654 171 V HN 0.609 nan 8.190 nan 0.000 0.451 172 A N 0.556 123.286 122.820 -0.150 0.000 1.908 172 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 172 A C 2.435 179.945 177.584 -0.123 0.000 1.181 172 A CA 2.058 54.017 52.037 -0.130 0.000 0.627 172 A CB -1.297 17.639 19.000 -0.106 0.000 0.818 172 A HN 0.536 nan 8.150 nan 0.000 0.445 173 G N -0.849 107.881 108.800 -0.116 0.000 2.446 173 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.217 173 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.217 173 G C 1.606 176.372 174.900 -0.222 0.000 1.168 173 G CA 1.371 46.399 45.100 -0.120 0.000 0.771 173 G HN 0.536 nan 8.290 nan 0.000 0.551 174 C N 0.323 119.415 119.300 -0.347 0.000 2.432 174 C HA 0.065 4.525 4.460 -0.000 0.000 0.277 174 C C 2.840 177.619 174.990 -0.351 0.000 1.249 174 C CA 0.484 59.095 59.018 -0.678 0.000 1.725 174 C CB -1.024 26.351 27.740 -0.608 0.000 2.028 174 C HN 0.469 nan 8.230 nan 0.000 0.477 175 I N 0.735 121.178 120.570 -0.212 0.000 2.286 175 I HA -0.212 3.958 4.170 -0.000 0.000 0.248 175 I C 2.296 178.369 176.117 -0.073 0.000 1.115 175 I CA 1.700 62.925 61.300 -0.125 0.000 1.392 175 I CB -0.386 37.542 38.000 -0.121 0.000 1.065 175 I HN 0.338 nan 8.210 nan 0.000 0.418 176 I N 0.619 121.146 120.570 -0.071 0.000 2.252 176 I HA -0.309 3.861 4.170 -0.000 0.000 0.245 176 I C 2.192 178.332 176.117 0.038 0.000 1.102 176 I CA 1.750 63.038 61.300 -0.020 0.000 1.385 176 I CB -0.374 37.611 38.000 -0.025 0.000 1.064 176 I HN 0.240 nan 8.210 nan 0.000 0.414 177 D N 0.363 120.789 120.400 0.043 0.000 2.144 177 D HA -0.164 4.476 4.640 -0.000 0.000 0.200 177 D C 2.116 178.598 176.300 0.303 0.000 0.978 177 D CA 1.474 55.586 54.000 0.188 0.000 0.833 177 D CB 0.165 41.111 40.800 0.242 0.000 0.961 177 D HN 0.299 nan 8.370 nan 0.000 0.470 178 S N -1.663 114.116 115.700 0.131 0.000 2.548 178 S HA 0.120 4.590 4.470 -0.000 0.000 0.215 178 S C 0.810 175.425 174.600 0.025 0.000 0.976 178 S CA 0.197 58.356 58.200 -0.068 0.000 0.908 178 S CB 0.181 63.271 63.200 -0.185 0.000 0.781 178 S HN 0.058 nan 8.310 nan 0.000 0.519 179 S N 1.490 117.232 115.700 0.069 0.000 3.614 179 S HA -0.143 4.327 4.470 -0.000 0.000 0.360 179 S C 0.163 174.773 174.600 0.016 0.000 1.023 179 S CA 0.522 58.755 58.200 0.055 0.000 1.114 179 S CB -2.203 61.060 63.200 0.104 0.000 0.907 179 S HN 0.727 nan 8.310 nan 0.000 0.470 180 S N 0.613 116.304 115.700 -0.016 0.000 2.546 180 S HA 0.101 4.571 4.470 -0.000 0.000 0.290 180 S C 1.429 176.019 174.600 -0.017 0.000 1.290 180 S CA -0.269 57.919 58.200 -0.020 0.000 1.069 180 S CB 0.645 63.826 63.200 -0.031 0.000 0.846 180 S HN 0.502 nan 8.310 nan 0.000 0.495 181 R N 0.448 120.944 120.500 -0.007 0.000 2.254 181 R HA 0.252 4.591 4.340 -0.000 0.000 0.195 181 R C -0.188 176.106 176.300 -0.010 0.000 0.957 181 R CA 0.260 56.353 56.100 -0.011 0.000 1.024 181 R CB 0.084 30.385 30.300 0.001 0.000 0.952 181 R HN 0.458 nan 8.270 nan 0.000 0.484 182 L N -0.591 120.634 121.223 0.002 0.000 2.466 182 L HA 0.432 4.772 4.340 -0.000 0.000 0.258 182 L C -1.611 175.268 176.870 0.017 0.000 0.973 182 L CA -0.879 53.972 54.840 0.018 0.000 0.826 182 L CB 2.470 44.552 42.059 0.038 0.000 1.372 182 L HN -0.343 nan 8.230 nan 0.000 0.409 183 V N 5.098 125.020 119.914 0.014 0.000 2.487 183 V HA 0.549 4.669 4.120 -0.000 0.000 0.298 183 V C -0.309 175.820 176.094 0.058 0.000 1.028 183 V CA -0.372 61.937 62.300 0.015 0.000 0.860 183 V CB 1.719 33.523 31.823 -0.033 0.000 0.991 183 V HN 0.607 nan 8.190 nan 0.000 0.427 184 I N 4.086 124.714 120.570 0.096 0.000 2.362 184 I HA 0.623 4.793 4.170 -0.000 0.000 0.289 184 I C 0.153 176.332 176.117 0.104 0.000 0.994 184 I CA 0.139 61.529 61.300 0.149 0.000 1.158 184 I CB 1.906 40.034 38.000 0.212 0.000 1.315 184 I HN 0.703 nan 8.210 nan 0.000 0.451 185 T N 4.101 118.709 114.554 0.091 0.000 2.647 185 T HA 0.855 5.205 4.350 -0.000 0.000 0.295 185 T C -1.594 173.107 174.700 0.003 0.000 1.126 185 T CA -0.408 61.716 62.100 0.040 0.000 1.040 185 T CB 1.872 70.805 68.868 0.107 0.000 1.472 185 T HN 0.645 nan 8.240 nan 0.000 0.500 186 A N 0.404 123.198 122.820 -0.044 0.000 2.479 186 A HA 0.659 4.979 4.320 -0.000 0.000 0.296 186 A C 0.610 178.203 177.584 0.015 0.000 1.121 186 A CA -0.037 51.983 52.037 -0.028 0.000 0.743 186 A CB 1.159 20.086 19.000 -0.123 0.000 1.323 186 A HN 0.885 nan 8.150 nan 0.000 0.415 187 D N 0.218 120.671 120.400 0.089 0.000 2.092 187 D HA -0.078 4.562 4.640 -0.000 0.000 0.193 187 D C 0.288 176.603 176.300 0.024 0.000 0.994 187 D CA 1.909 55.972 54.000 0.105 0.000 0.828 187 D CB -0.031 40.882 40.800 0.189 0.000 0.963 187 D HN 0.663 nan 8.370 nan 0.000 0.450 188 E N -1.687 118.502 120.200 -0.019 0.000 2.413 188 E HA 0.619 4.969 4.350 -0.000 0.000 0.277 188 E C -0.705 175.829 176.600 -0.111 0.000 0.958 188 E CA -0.943 55.417 56.400 -0.067 0.000 0.779 188 E CB 2.211 31.883 29.700 -0.046 0.000 1.278 188 E HN 0.177 nan 8.360 nan 0.000 0.456 189 G N 0.068 108.778 108.800 -0.150 0.000 2.441 189 G HA2 0.548 4.508 3.960 -0.000 0.000 0.334 189 G HA3 0.548 4.508 3.960 -0.000 0.000 0.334 189 G C -0.955 173.860 174.900 -0.142 0.000 1.161 189 G CA -0.435 44.564 45.100 -0.169 0.000 0.935 189 G HN 0.192 nan 8.290 nan 0.000 0.488 190 V N 0.969 120.806 119.914 -0.128 0.000 2.409 190 V HA 0.678 4.798 4.120 -0.000 0.000 0.291 190 V C 0.101 176.082 176.094 -0.188 0.000 1.020 190 V CA -0.739 61.479 62.300 -0.137 0.000 0.848 190 V CB 1.283 33.058 31.823 -0.080 0.000 0.990 190 V HN 0.822 nan 8.190 nan 0.000 0.430 191 R N 4.285 124.636 120.500 -0.248 0.000 2.508 191 R HA 0.600 4.940 4.340 -0.000 0.000 0.283 191 R C 0.067 176.102 176.300 -0.442 0.000 1.120 191 R CA 0.204 56.130 56.100 -0.290 0.000 0.958 191 R CB 1.530 31.706 30.300 -0.207 0.000 1.215 191 R HN 1.275 nan 8.270 nan 0.000 0.427 192 A N 2.814 125.261 122.820 -0.622 0.000 2.791 192 A HA -0.142 4.178 4.320 -0.000 0.000 0.292 192 A C 1.089 177.545 177.584 -1.879 0.000 1.487 192 A CA 1.570 52.852 52.037 -1.259 0.000 0.760 192 A CB -2.154 16.458 19.000 -0.646 0.000 1.031 192 A HN 2.075 nan 8.150 nan 0.000 0.503 193 G N -2.219 105.563 108.800 -1.696 0.000 2.189 193 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.267 193 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.267 193 G C 0.215 174.868 174.900 -0.413 0.000 0.975 193 G CA 1.157 45.699 45.100 -0.931 0.000 0.644 193 G HN 1.270 nan 8.290 nan 0.000 0.537 194 R N -0.104 120.154 120.500 -0.404 0.000 2.732 194 R HA 0.644 4.984 4.340 -0.000 0.000 0.278 194 R C -0.560 175.630 176.300 -0.183 0.000 0.976 194 R CA -0.479 55.484 56.100 -0.228 0.000 0.963 194 R CB 1.554 31.733 30.300 -0.202 0.000 1.150 194 R HN 0.137 nan 8.270 nan 0.000 0.478 195 S N 1.901 117.527 115.700 -0.123 0.000 2.442 195 S HA 0.436 4.906 4.470 -0.000 0.000 0.297 195 S C -0.092 174.447 174.600 -0.101 0.000 1.131 195 S CA -0.607 57.531 58.200 -0.103 0.000 1.092 195 S CB 0.644 63.803 63.200 -0.068 0.000 0.998 195 S HN 0.339 nan 8.310 nan 0.000 0.478 196 I N 5.769 126.267 120.570 -0.120 0.000 2.339 196 I HA 0.317 4.487 4.170 -0.000 0.000 0.290 196 I C -2.077 173.972 176.117 -0.114 0.000 0.994 196 I CA -2.566 58.659 61.300 -0.124 0.000 1.191 196 I CB 1.719 39.618 38.000 -0.168 0.000 1.343 196 I HN 0.339 nan 8.210 nan 0.000 0.458 197 P HA 0.091 nan 4.420 nan 0.000 0.268 197 P C -0.211 177.051 177.300 -0.064 0.000 1.205 197 P CA 0.146 63.217 63.100 -0.048 0.000 0.771 197 P CB 1.874 33.563 31.700 -0.018 0.000 0.858 198 L N 1.756 122.952 121.223 -0.045 0.000 2.658 198 L HA 0.123 4.463 4.340 -0.000 0.000 0.201 198 L C 2.370 179.317 176.870 0.128 0.000 1.050 198 L CA 0.214 55.037 54.840 -0.029 0.000 0.893 198 L CB -0.679 41.232 42.059 -0.247 0.000 1.503 198 L HN 0.215 nan 8.230 nan 0.000 0.485 199 K N 1.645 122.080 120.400 0.058 0.000 2.063 199 K HA -0.222 4.098 4.320 -0.000 0.000 0.208 199 K C 1.951 178.572 176.600 0.034 0.000 1.048 199 K CA 1.867 58.183 56.287 0.049 0.000 0.928 199 K CB -0.149 32.375 32.500 0.040 0.000 0.713 199 K HN 0.037 nan 8.250 nan 0.000 0.442 200 K N -0.101 120.321 120.400 0.037 0.000 2.097 200 K HA -0.149 4.171 4.320 -0.000 0.000 0.206 200 K C 1.561 178.169 176.600 0.014 0.000 1.049 200 K CA 1.659 57.958 56.287 0.021 0.000 0.933 200 K CB -0.140 32.373 32.500 0.021 0.000 0.717 200 K HN 0.166 nan 8.250 nan 0.000 0.442 201 N N 0.417 119.147 118.700 0.050 0.000 2.166 201 N HA -0.127 4.613 4.740 -0.000 0.000 0.186 201 N C 1.735 177.219 175.510 -0.043 0.000 1.019 201 N CA 1.045 54.116 53.050 0.036 0.000 0.856 201 N CB -0.271 38.308 38.487 0.155 0.000 0.993 201 N HN -0.000 nan 8.380 nan 0.000 0.426 202 V N 1.590 121.488 119.914 -0.025 0.000 2.358 202 V HA -0.188 3.932 4.120 -0.000 0.000 0.246 202 V C 1.638 177.673 176.094 -0.099 0.000 1.047 202 V CA 1.558 63.795 62.300 -0.107 0.000 1.035 202 V CB -0.472 31.316 31.823 -0.058 0.000 0.658 202 V HN 0.183 nan 8.190 nan 0.000 0.452 203 D N 0.314 120.671 120.400 -0.071 0.000 2.116 203 D HA -0.181 4.459 4.640 -0.000 0.000 0.193 203 D C 1.908 178.166 176.300 -0.070 0.000 0.998 203 D CA 1.639 55.594 54.000 -0.075 0.000 0.836 203 D CB -0.395 40.374 40.800 -0.052 0.000 0.951 203 D HN 0.412 nan 8.370 nan 0.000 0.449 204 D N 0.080 120.444 120.400 -0.060 0.000 2.178 204 D HA -0.061 4.579 4.640 -0.000 0.000 0.201 204 D C 1.950 178.203 176.300 -0.078 0.000 0.980 204 D CA 1.117 55.081 54.000 -0.060 0.000 0.842 204 D CB -0.284 40.486 40.800 -0.051 0.000 0.948 204 D HN 0.166 nan 8.370 nan 0.000 0.472 205 A N 0.526 123.286 122.820 -0.101 0.000 1.930 205 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 205 A C 2.194 179.715 177.584 -0.105 0.000 1.175 205 A CA 0.658 52.624 52.037 -0.119 0.000 0.627 205 A CB -0.627 18.271 19.000 -0.170 0.000 0.815 205 A HN 0.219 nan 8.150 nan 0.000 0.443 206 L N -0.886 120.274 121.223 -0.104 0.000 2.551 206 L HA -0.054 4.286 4.340 -0.000 0.000 0.228 206 L C 1.924 178.746 176.870 -0.079 0.000 1.153 206 L CA 0.718 55.501 54.840 -0.096 0.000 0.851 206 L CB -0.314 41.681 42.059 -0.107 0.000 0.959 206 L HN 0.360 nan 8.230 nan 0.000 0.451 207 K N -0.251 120.106 120.400 -0.071 0.000 2.432 207 K HA -0.026 4.294 4.320 -0.000 0.000 0.196 207 K C 0.847 177.417 176.600 -0.051 0.000 1.038 207 K CA -0.130 56.124 56.287 -0.056 0.000 0.986 207 K CB -0.053 32.418 32.500 -0.048 0.000 0.782 207 K HN 0.175 nan 8.250 nan 0.000 0.485 208 N N 2.519 121.185 118.700 -0.057 0.000 2.440 208 N HA -0.026 4.714 4.740 -0.000 0.000 0.265 208 N C -1.683 173.801 175.510 -0.043 0.000 1.239 208 N CA -1.097 51.923 53.050 -0.050 0.000 0.909 208 N CB 1.108 39.560 38.487 -0.057 0.000 1.066 208 N HN -0.034 nan 8.380 nan 0.000 0.474 209 P HA -0.123 nan 4.420 nan 0.000 0.223 209 P C 0.308 177.592 177.300 -0.028 0.000 1.144 209 P CA 1.060 64.142 63.100 -0.029 0.000 0.783 209 P CB 0.423 32.110 31.700 -0.022 0.000 0.771 210 N N -0.320 118.363 118.700 -0.027 0.000 2.467 210 N HA 0.015 4.755 4.740 -0.000 0.000 0.184 210 N C 0.241 175.734 175.510 -0.028 0.000 1.106 210 N CA 0.311 53.348 53.050 -0.022 0.000 0.892 210 N CB 0.259 38.736 38.487 -0.017 0.000 0.969 210 N HN 0.097 nan 8.380 nan 0.000 0.454 211 V N 2.034 121.924 119.914 -0.040 0.000 2.353 211 V HA 0.111 4.231 4.120 -0.000 0.000 0.264 211 V C 1.125 177.190 176.094 -0.048 0.000 1.049 211 V CA 0.211 62.482 62.300 -0.048 0.000 0.896 211 V CB 0.787 32.571 31.823 -0.066 0.000 1.025 211 V HN 0.272 nan 8.190 nan 0.000 0.475 212 T N -1.153 113.377 114.554 -0.040 0.000 3.058 212 T HA 0.013 4.363 4.350 -0.000 0.000 0.278 212 T C 1.426 176.100 174.700 -0.044 0.000 0.974 212 T CA 0.463 62.537 62.100 -0.042 0.000 0.893 212 T CB 0.319 69.168 68.868 -0.030 0.000 1.138 212 T HN 0.607 nan 8.240 nan 0.000 0.529 213 S N 0.765 116.441 115.700 -0.040 0.000 2.486 213 S HA 0.245 4.715 4.470 -0.000 0.000 0.220 213 S C 0.628 175.195 174.600 -0.054 0.000 1.011 213 S CA -0.218 57.961 58.200 -0.036 0.000 0.921 213 S CB -0.452 62.739 63.200 -0.014 0.000 0.785 213 S HN 0.318 nan 8.310 nan 0.000 0.517 214 V N 3.149 123.020 119.914 -0.071 0.000 2.446 214 V HA 0.186 4.306 4.120 -0.000 0.000 0.276 214 V C 0.874 176.884 176.094 -0.139 0.000 1.030 214 V CA 0.137 62.383 62.300 -0.090 0.000 1.033 214 V CB 0.466 32.232 31.823 -0.095 0.000 0.993 214 V HN 0.472 nan 8.190 nan 0.000 0.477 215 E N 2.870 122.969 120.200 -0.168 0.000 2.251 215 E HA 0.153 4.503 4.350 -0.000 0.000 0.194 215 E C 0.127 176.352 176.600 -0.624 0.000 0.964 215 E CA 0.405 56.598 56.400 -0.345 0.000 0.868 215 E CB 0.444 29.975 29.700 -0.282 0.000 0.828 215 E HN 0.742 nan 8.360 nan 0.000 0.481 216 H N -1.016 117.998 119.070 -0.094 0.000 3.008 216 H HA 0.408 4.964 4.556 -0.000 0.000 0.354 216 H C -1.234 174.018 175.328 -0.126 0.000 1.252 216 H CA -0.706 55.270 56.048 -0.121 0.000 1.117 216 H CB 2.003 31.702 29.762 -0.104 0.000 1.857 216 H HN -0.208 nan 8.280 nan 0.000 0.547 217 V N 3.087 122.986 119.914 -0.025 0.000 2.482 217 V HA 0.282 4.402 4.120 -0.000 0.000 0.295 217 V C 0.138 176.174 176.094 -0.098 0.000 1.026 217 V CA -0.491 61.755 62.300 -0.089 0.000 0.856 217 V CB 1.581 33.288 31.823 -0.194 0.000 1.001 217 V HN 0.473 nan 8.190 nan 0.000 0.424 218 I N 5.120 125.700 120.570 0.016 0.000 2.342 218 I HA 0.431 4.601 4.170 -0.000 0.000 0.291 218 I C -0.444 175.758 176.117 0.141 0.000 1.010 218 I CA -0.486 60.874 61.300 0.101 0.000 1.308 218 I CB 1.664 39.803 38.000 0.231 0.000 1.400 218 I HN 0.285 nan 8.210 nan 0.000 0.488 219 V N 7.192 127.199 119.914 0.155 0.000 2.409 219 V HA 0.309 4.429 4.120 -0.000 0.000 0.291 219 V C -0.258 176.094 176.094 0.430 0.000 1.020 219 V CA -0.747 61.660 62.300 0.179 0.000 0.848 219 V CB 1.750 33.552 31.823 -0.034 0.000 0.990 219 V HN 0.430 nan 8.190 nan 0.000 0.430 220 L N 4.540 125.933 121.223 0.284 0.000 2.305 220 L HA 0.474 4.814 4.340 -0.000 0.000 0.281 220 L C 0.258 177.265 176.870 0.228 0.000 1.085 220 L CA 0.043 54.985 54.840 0.170 0.000 0.813 220 L CB 0.893 42.799 42.059 -0.255 0.000 1.157 220 L HN 0.676 nan 8.230 nan 0.000 0.436 221 K N 4.020 124.551 120.400 0.219 0.000 2.250 221 K HA 0.160 4.480 4.320 -0.000 0.000 0.285 221 K C 0.649 177.227 176.600 -0.036 0.000 1.097 221 K CA -0.269 56.087 56.287 0.116 0.000 0.913 221 K CB 0.458 32.862 32.500 -0.160 0.000 1.179 221 K HN 0.718 nan 8.250 nan 0.000 0.462 222 R N 1.732 122.213 120.500 -0.031 0.000 2.146 222 R HA 0.012 4.352 4.340 -0.000 0.000 0.206 222 R C 1.450 177.719 176.300 -0.052 0.000 1.049 222 R CA 1.905 57.954 56.100 -0.085 0.000 1.029 222 R CB 0.183 30.417 30.300 -0.109 0.000 0.949 222 R HN 0.645 nan 8.270 nan 0.000 0.471 223 T N -4.799 109.740 114.554 -0.024 0.000 2.975 223 T HA 0.267 4.617 4.350 -0.000 0.000 0.261 223 T C 1.217 175.908 174.700 -0.014 0.000 0.984 223 T CA 0.278 62.366 62.100 -0.019 0.000 0.911 223 T CB 0.599 69.457 68.868 -0.017 0.000 1.127 223 T HN 0.303 nan 8.240 nan 0.000 0.514 224 G N 1.497 110.294 108.800 -0.005 0.000 2.153 224 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.252 224 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.252 224 G C 0.187 175.097 174.900 0.017 0.000 0.994 224 G CA 0.294 45.384 45.100 -0.017 0.000 0.698 224 G HN 0.739 nan 8.290 nan 0.000 0.521 225 S N 0.663 116.388 115.700 0.041 0.000 2.584 225 S HA 0.343 4.813 4.470 -0.000 0.000 0.270 225 S C 0.363 175.007 174.600 0.074 0.000 1.346 225 S CA -0.404 57.822 58.200 0.043 0.000 1.018 225 S CB 0.602 63.822 63.200 0.034 0.000 0.899 225 S HN 0.341 nan 8.310 nan 0.000 0.542 226 D N 2.325 122.759 120.400 0.058 0.000 2.401 226 D HA 0.271 4.911 4.640 -0.000 0.000 0.254 226 D C 0.238 176.593 176.300 0.092 0.000 1.192 226 D CA 0.293 54.336 54.000 0.072 0.000 0.885 226 D CB 0.106 40.935 40.800 0.048 0.000 1.147 226 D HN 0.441 nan 8.370 nan 0.000 0.478 227 I N -1.692 118.958 120.570 0.135 0.000 3.002 227 I HA 0.473 4.643 4.170 -0.000 0.000 0.310 227 I C -0.359 175.857 176.117 0.165 0.000 1.087 227 I CA -1.118 60.269 61.300 0.145 0.000 1.017 227 I CB 2.261 40.373 38.000 0.188 0.000 1.226 227 I HN -0.127 nan 8.210 nan 0.000 0.443 228 D N 1.810 122.294 120.400 0.140 0.000 2.329 228 D HA 0.262 4.902 4.640 -0.000 0.000 0.246 228 D C -1.473 174.970 176.300 0.239 0.000 1.111 228 D CA 0.242 54.330 54.000 0.146 0.000 0.941 228 D CB 1.766 42.610 40.800 0.073 0.000 1.169 228 D HN 0.551 nan 8.370 nan 0.000 0.441 229 W N 1.159 122.437 121.300 -0.036 0.000 3.097 229 W HA 0.163 4.823 4.660 0.000 0.000 0.335 229 W C -1.187 175.299 176.519 -0.054 0.000 1.114 229 W CA -0.645 56.658 57.345 -0.070 0.000 1.231 229 W CB 1.986 31.411 29.460 -0.059 0.000 1.388 229 W HN 0.194 nan 8.180 nan 0.000 0.485 230 Q N 4.489 124.093 119.800 -0.326 0.000 2.400 230 Q HA 0.150 4.490 4.340 -0.000 0.000 0.255 230 Q C 0.064 175.931 176.000 -0.222 0.000 1.008 230 Q CA -0.118 55.561 55.803 -0.206 0.000 0.841 230 Q CB 0.831 29.433 28.738 -0.225 0.000 1.220 230 Q HN 0.481 nan 8.270 nan 0.000 0.474 231 E N 2.879 123.085 120.200 0.010 0.000 2.481 231 E HA 0.193 4.543 4.350 -0.000 0.000 0.263 231 E C 0.577 177.178 176.600 0.002 0.000 0.992 231 E CA 0.519 56.968 56.400 0.082 0.000 0.938 231 E CB 0.244 30.010 29.700 0.110 0.000 0.933 231 E HN 0.847 nan 8.360 nan 0.000 0.453 232 G N 3.792 112.617 108.800 0.042 0.000 2.990 232 G HA2 -0.463 3.497 3.960 -0.000 0.000 0.225 232 G HA3 -0.463 3.497 3.960 -0.000 0.000 0.225 232 G C 1.188 176.116 174.900 0.047 0.000 1.304 232 G CA 0.552 45.678 45.100 0.044 0.000 0.816 232 G HN 0.643 nan 8.290 nan 0.000 0.528 233 R N 1.243 121.694 120.500 -0.081 0.000 2.062 233 R HA 0.047 4.387 4.340 -0.000 0.000 0.226 233 R C -0.023 176.190 176.300 -0.146 0.000 1.125 233 R CA 1.341 57.369 56.100 -0.120 0.000 0.966 233 R CB -0.223 29.947 30.300 -0.217 0.000 0.861 233 R HN 0.438 nan 8.270 nan 0.000 0.433 234 D N 0.938 121.053 120.400 -0.476 0.000 2.304 234 D HA 0.281 4.921 4.640 -0.000 0.000 0.250 234 D C -0.513 175.462 176.300 -0.541 0.000 1.107 234 D CA 0.186 53.660 54.000 -0.875 0.000 0.885 234 D CB 1.526 41.102 40.800 -2.039 0.000 1.192 234 D HN 0.144 nan 8.370 nan 0.000 0.436 235 L N 1.042 122.068 121.223 -0.329 0.000 2.445 235 L HA 0.423 4.763 4.340 -0.000 0.000 0.262 235 L C -0.812 176.170 176.870 0.187 0.000 0.974 235 L CA -1.081 53.795 54.840 0.060 0.000 0.822 235 L CB 1.923 43.976 42.059 -0.009 0.000 1.339 235 L HN 0.286 nan 8.230 nan 0.000 0.409 236 W N 1.983 123.540 121.300 0.428 0.000 2.287 236 W HA 0.100 4.760 4.660 -0.000 0.000 0.313 236 W C 1.003 177.690 176.519 0.280 0.000 1.267 236 W CA -0.206 57.353 57.345 0.357 0.000 1.201 236 W CB 0.932 30.520 29.460 0.213 0.000 1.196 236 W HN 0.615 nan 8.180 nan 0.000 0.536 237 W N 4.234 125.778 121.300 0.406 0.000 2.317 237 W HA -0.278 4.382 4.660 -0.000 0.000 0.318 237 W C 1.985 178.629 176.519 0.208 0.000 1.227 237 W CA 1.924 59.429 57.345 0.266 0.000 1.269 237 W CB -0.467 29.101 29.460 0.178 0.000 1.155 237 W HN 0.511 nan 8.180 nan 0.000 0.484 238 R N 0.543 121.368 120.500 0.542 0.000 2.083 238 R HA -0.193 4.147 4.340 -0.000 0.000 0.237 238 R C 1.924 178.325 176.300 0.168 0.000 1.137 238 R CA 2.322 58.611 56.100 0.315 0.000 0.951 238 R CB -0.651 29.756 30.300 0.179 0.000 0.851 238 R HN 0.012 nan 8.270 nan 0.000 0.434 239 D N 0.441 120.958 120.400 0.194 0.000 2.149 239 D HA -0.172 4.468 4.640 -0.000 0.000 0.198 239 D C 1.975 178.314 176.300 0.066 0.000 0.990 239 D CA 1.173 55.251 54.000 0.130 0.000 0.839 239 D CB -0.109 40.809 40.800 0.196 0.000 0.948 239 D HN 0.315 nan 8.370 nan 0.000 0.460 240 L N 0.291 121.541 121.223 0.046 0.000 2.023 240 L HA -0.017 4.323 4.340 -0.000 0.000 0.205 240 L C 2.600 179.401 176.870 -0.115 0.000 1.073 240 L CA 0.537 55.339 54.840 -0.064 0.000 0.745 240 L CB -0.211 41.771 42.059 -0.129 0.000 0.900 240 L HN -0.030 nan 8.230 nan 0.000 0.435 241 I N -0.138 120.349 120.570 -0.139 0.000 2.394 241 I HA -0.251 3.919 4.170 -0.000 0.000 0.251 241 I C 2.285 178.377 176.117 -0.042 0.000 1.136 241 I CA 1.252 62.475 61.300 -0.128 0.000 1.425 241 I CB 0.091 37.991 38.000 -0.165 0.000 1.079 241 I HN 0.323 nan 8.210 nan 0.000 0.425 242 E N 0.721 120.918 120.200 -0.005 0.000 2.268 242 E HA -0.228 4.122 4.350 -0.000 0.000 0.195 242 E C 1.723 178.320 176.600 -0.006 0.000 0.995 242 E CA 1.044 57.449 56.400 0.009 0.000 0.836 242 E CB 0.137 29.851 29.700 0.024 0.000 0.763 242 E HN 0.601 nan 8.360 nan 0.000 0.491 243 K N -0.350 120.037 120.400 -0.021 0.000 2.367 243 K HA 0.298 4.618 4.320 -0.000 0.000 0.194 243 K C 0.525 177.101 176.600 -0.039 0.000 1.027 243 K CA 0.027 56.299 56.287 -0.025 0.000 1.075 243 K CB 0.674 33.159 32.500 -0.025 0.000 0.845 243 K HN -0.110 nan 8.250 nan 0.000 0.529 244 A N 1.539 124.325 122.820 -0.057 0.000 2.351 244 A HA 0.265 4.585 4.320 -0.000 0.000 0.257 244 A C -0.139 177.421 177.584 -0.040 0.000 1.087 244 A CA -0.435 51.560 52.037 -0.070 0.000 0.798 244 A CB 0.884 19.813 19.000 -0.117 0.000 1.033 244 A HN 0.293 nan 8.150 nan 0.000 0.488 245 S N 1.674 117.355 115.700 -0.031 0.000 2.548 245 S HA 0.371 4.841 4.470 -0.000 0.000 0.277 245 S C -1.454 173.147 174.600 0.001 0.000 1.315 245 S CA -1.125 57.071 58.200 -0.007 0.000 1.050 245 S CB 0.591 63.792 63.200 0.003 0.000 0.918 245 S HN 0.529 nan 8.310 nan 0.000 0.497 246 P HA 0.142 nan 4.420 nan 0.000 0.253 246 P C -0.558 176.768 177.300 0.044 0.000 1.260 246 P CA 0.218 63.332 63.100 0.023 0.000 0.800 246 P CB 0.139 31.861 31.700 0.037 0.000 1.162 247 E N 0.818 121.048 120.200 0.050 0.000 2.109 247 E HA 0.314 4.664 4.350 -0.000 0.000 0.278 247 E C -0.816 175.841 176.600 0.096 0.000 0.954 247 E CA -0.349 56.090 56.400 0.066 0.000 0.779 247 E CB 1.181 30.906 29.700 0.041 0.000 1.093 247 E HN 0.253 nan 8.360 nan 0.000 0.401 248 H N 1.620 120.686 119.070 -0.007 0.000 3.042 248 H HA 0.148 4.704 4.556 -0.000 0.000 0.345 248 H C -1.131 174.201 175.328 0.005 0.000 1.052 248 H CA -0.522 55.515 56.048 -0.018 0.000 1.311 248 H CB 0.937 30.669 29.762 -0.049 0.000 1.810 248 H HN 0.106 nan 8.280 nan 0.000 0.505 249 Q N 5.517 124.976 119.800 -0.568 0.000 2.274 249 Q HA 0.286 4.626 4.340 -0.000 0.000 0.256 249 Q C -2.392 173.379 176.000 -0.383 0.000 0.927 249 Q CA -2.167 53.438 55.803 -0.329 0.000 0.939 249 Q CB 1.308 29.917 28.738 -0.215 0.000 1.201 249 Q HN 0.562 nan 8.270 nan 0.000 0.426 250 P HA 0.073 nan 4.420 nan 0.000 0.271 250 P C -0.242 177.051 177.300 -0.012 0.000 1.226 250 P CA 0.004 63.117 63.100 0.022 0.000 0.765 250 P CB 0.809 32.544 31.700 0.058 0.000 0.835 251 E N 1.506 121.717 120.200 0.019 0.000 2.283 251 E HA 0.465 4.815 4.350 -0.000 0.000 0.267 251 E C 0.034 176.644 176.600 0.016 0.000 1.045 251 E CA -0.742 55.663 56.400 0.008 0.000 0.884 251 E CB 1.188 30.900 29.700 0.020 0.000 1.106 251 E HN 0.379 nan 8.360 nan 0.000 0.408 252 A N 2.920 125.749 122.820 0.015 0.000 2.363 252 A HA 0.424 4.744 4.320 -0.000 0.000 0.270 252 A C -0.091 177.508 177.584 0.026 0.000 1.121 252 A CA -0.308 51.742 52.037 0.020 0.000 0.800 252 A CB 0.156 19.176 19.000 0.033 0.000 1.052 252 A HN 0.386 nan 8.150 nan 0.000 0.493 253 M N 1.924 121.536 119.600 0.021 0.000 2.436 253 M HA 0.286 4.766 4.480 -0.000 0.000 0.331 253 M C -0.187 176.145 176.300 0.054 0.000 1.135 253 M CA -0.680 54.635 55.300 0.026 0.000 0.987 253 M CB 1.101 33.703 32.600 0.004 0.000 1.687 253 M HN 0.768 nan 8.290 nan 0.000 0.445 254 N N 0.362 119.102 118.700 0.065 0.000 2.482 254 N HA 0.294 5.034 4.740 -0.000 0.000 0.260 254 N C 1.070 176.656 175.510 0.127 0.000 1.236 254 N CA 0.052 53.164 53.050 0.105 0.000 0.938 254 N CB 0.868 39.403 38.487 0.080 0.000 1.128 254 N HN 0.781 nan 8.380 nan 0.000 0.448 255 A N 1.337 124.290 122.820 0.220 0.000 1.978 255 A HA -0.169 4.151 4.320 -0.000 0.000 0.220 255 A C 1.339 179.027 177.584 0.173 0.000 1.170 255 A CA 1.379 53.581 52.037 0.274 0.000 0.636 255 A CB -0.135 19.145 19.000 0.467 0.000 0.810 255 A HN 0.636 nan 8.150 nan 0.000 0.448 256 E N 0.956 121.230 120.200 0.123 0.000 2.444 256 E HA 0.072 4.422 4.350 -0.000 0.000 0.191 256 E C -0.784 175.827 176.600 0.019 0.000 1.041 256 E CA -0.166 56.272 56.400 0.063 0.000 0.883 256 E CB -0.141 29.584 29.700 0.042 0.000 1.024 256 E HN 0.490 nan 8.360 nan 0.000 0.470 257 D N 2.590 123.004 120.400 0.024 0.000 2.389 257 D HA 0.082 4.722 4.640 -0.000 0.000 0.247 257 D C -2.162 174.121 176.300 -0.028 0.000 1.128 257 D CA -1.645 52.356 54.000 0.001 0.000 0.884 257 D CB 0.829 41.634 40.800 0.009 0.000 1.194 257 D HN -0.018 nan 8.370 nan 0.000 0.441 258 P HA -0.049 nan 4.420 nan 0.000 0.268 258 P C 0.293 177.535 177.300 -0.097 0.000 1.204 258 P CA -0.266 62.789 63.100 -0.075 0.000 0.768 258 P CB 1.170 32.852 31.700 -0.030 0.000 0.842 259 L N 4.724 125.838 121.223 -0.182 0.000 2.347 259 L HA 0.370 4.710 4.340 -0.000 0.000 0.196 259 L C 0.324 177.067 176.870 -0.212 0.000 1.072 259 L CA 1.295 56.023 54.840 -0.187 0.000 0.817 259 L CB -0.149 41.773 42.059 -0.229 0.000 1.029 259 L HN 0.474 nan 8.230 nan 0.000 0.478 260 F N -1.558 118.214 119.950 -0.296 0.000 2.713 260 F HA 0.671 5.198 4.527 -0.000 0.000 0.311 260 F C -1.381 174.325 175.800 -0.157 0.000 1.141 260 F CA -1.900 55.889 58.000 -0.351 0.000 0.939 260 F CB 0.524 39.183 39.000 -0.568 0.000 1.325 260 F HN -0.218 nan 8.300 nan 0.000 0.453 261 I N 2.513 123.244 120.570 0.269 0.000 2.545 261 I HA 0.549 4.719 4.170 -0.000 0.000 0.292 261 I C -1.341 174.896 176.117 0.199 0.000 1.040 261 I CA -0.817 60.540 61.300 0.095 0.000 1.068 261 I CB 2.245 40.145 38.000 -0.166 0.000 1.251 261 I HN 0.570 nan 8.210 nan 0.000 0.424 262 L N 5.965 127.245 121.223 0.095 0.000 2.404 262 L HA 0.438 4.778 4.340 -0.000 0.000 0.272 262 L C -1.235 175.624 176.870 -0.017 0.000 0.980 262 L CA -0.704 54.192 54.840 0.093 0.000 0.836 262 L CB 1.614 43.754 42.059 0.134 0.000 1.238 262 L HN 0.432 nan 8.230 nan 0.000 0.408 263 Y N 1.930 122.328 120.300 0.164 0.000 2.465 263 Y HA 0.203 4.753 4.550 -0.000 0.000 0.331 263 Y C 0.699 176.767 175.900 0.281 0.000 1.102 263 Y CA 0.303 58.534 58.100 0.217 0.000 1.358 263 Y CB 0.837 39.437 38.460 0.233 0.000 1.213 263 Y HN 0.391 nan 8.280 nan 0.000 0.525 264 T N 2.416 117.154 114.554 0.307 0.000 2.861 264 T HA 0.319 4.669 4.350 -0.000 0.000 0.287 264 T C -0.304 174.536 174.700 0.232 0.000 1.003 264 T CA -1.069 61.192 62.100 0.269 0.000 0.977 264 T CB 1.141 70.133 68.868 0.207 0.000 0.996 264 T HN 0.457 nan 8.240 nan 0.000 0.448 265 S N 1.648 117.462 115.700 0.190 0.000 2.562 265 S HA 0.570 5.040 4.470 -0.000 0.000 0.281 265 S C 0.764 175.420 174.600 0.093 0.000 1.333 265 S CA -0.642 57.635 58.200 0.128 0.000 1.052 265 S CB 0.688 63.939 63.200 0.084 0.000 0.884 265 S HN 0.926 nan 8.310 nan 0.000 0.506 266 G N 0.328 109.169 108.800 0.068 0.000 2.685 266 G HA2 0.449 4.409 3.960 -0.000 0.000 0.298 266 G HA3 0.449 4.409 3.960 -0.000 0.000 0.298 266 G C 0.733 175.633 174.900 0.000 0.000 1.277 266 G CA -0.497 44.618 45.100 0.025 0.000 0.986 266 G HN 0.586 nan 8.290 nan 0.000 0.487 267 S N -1.416 114.264 115.700 -0.034 0.000 2.400 267 S HA -0.024 4.446 4.470 -0.000 0.000 0.232 267 S C 1.286 175.876 174.600 -0.016 0.000 1.025 267 S CA 1.960 60.142 58.200 -0.030 0.000 0.993 267 S CB -0.392 62.777 63.200 -0.052 0.000 0.808 267 S HN 1.173 nan 8.310 nan 0.000 0.478 268 T N -2.783 111.761 114.554 -0.017 0.000 2.883 268 T HA 0.661 5.011 4.350 -0.000 0.000 0.296 268 T C 0.394 175.101 174.700 0.013 0.000 1.117 268 T CA -0.115 61.983 62.100 -0.004 0.000 1.006 268 T CB 1.092 69.952 68.868 -0.014 0.000 1.191 268 T HN 0.944 nan 8.240 nan 0.000 0.508 269 G N 0.204 109.017 108.800 0.022 0.000 2.806 269 G HA2 0.330 4.290 3.960 -0.000 0.000 0.236 269 G HA3 0.330 4.290 3.960 -0.000 0.000 0.236 269 G C -0.034 174.897 174.900 0.052 0.000 1.387 269 G CA 0.152 45.275 45.100 0.037 0.000 0.884 269 G HN 1.493 nan 8.290 nan 0.000 0.560 270 K N 0.253 120.693 120.400 0.067 0.000 2.102 270 K HA 0.775 5.095 4.320 -0.000 0.000 0.244 270 K C -1.648 175.032 176.600 0.133 0.000 1.021 270 K CA -0.424 55.912 56.287 0.082 0.000 0.913 270 K CB -0.381 32.163 32.500 0.075 0.000 1.062 270 K HN 0.775 nan 8.250 nan 0.000 0.485 271 P HA 0.130 nan 4.420 nan 0.000 0.266 271 P C -0.801 176.724 177.300 0.375 0.000 1.195 271 P CA -0.061 63.205 63.100 0.276 0.000 0.768 271 P CB 0.515 32.428 31.700 0.355 0.000 0.838 272 K N 1.525 122.114 120.400 0.314 0.000 2.203 272 K HA 0.479 4.799 4.320 -0.000 0.000 0.251 272 K C 0.464 177.082 176.600 0.030 0.000 0.944 272 K CA -0.708 55.736 56.287 0.262 0.000 0.829 272 K CB 1.651 34.275 32.500 0.207 0.000 1.125 272 K HN 0.511 nan 8.250 nan 0.000 0.430 273 G N 1.250 109.895 108.800 -0.258 0.000 2.519 273 G HA2 0.254 4.214 3.960 -0.000 0.000 0.306 273 G HA3 0.254 4.214 3.960 -0.000 0.000 0.306 273 G C -0.068 174.701 174.900 -0.218 0.000 0.965 273 G CA -0.420 44.249 45.100 -0.718 0.000 1.291 273 G HN 0.232 nan 8.290 nan 0.000 0.450 274 V N 4.071 123.908 119.914 -0.128 0.000 2.485 274 V HA 0.083 4.203 4.120 -0.000 0.000 0.287 274 V C 0.621 176.615 176.094 -0.167 0.000 1.022 274 V CA -0.093 62.166 62.300 -0.069 0.000 1.067 274 V CB 0.921 32.759 31.823 0.024 0.000 0.967 274 V HN 0.604 nan 8.190 nan 0.000 0.479 275 L N 6.026 127.088 121.223 -0.269 0.000 2.295 275 L HA 0.564 4.904 4.340 -0.000 0.000 0.285 275 L C -0.271 176.257 176.870 -0.571 0.000 1.035 275 L CA -0.295 54.347 54.840 -0.329 0.000 0.806 275 L CB 0.796 42.747 42.059 -0.180 0.000 1.214 275 L HN 0.618 nan 8.230 nan 0.000 0.426 276 H N 2.610 121.305 119.070 -0.624 0.000 2.492 276 H HA 0.399 4.955 4.556 -0.000 0.000 0.345 276 H C -0.215 174.778 175.328 -0.558 0.000 1.136 276 H CA -0.290 55.340 56.048 -0.696 0.000 1.202 276 H CB 1.989 30.977 29.762 -1.289 0.000 1.524 276 H HN 0.737 nan 8.280 nan 0.000 0.506 277 T N -0.659 113.782 114.554 -0.189 0.000 2.924 277 T HA 0.189 4.539 4.350 -0.000 0.000 0.301 277 T C 1.143 175.808 174.700 -0.058 0.000 1.120 277 T CA -0.329 61.702 62.100 -0.115 0.000 0.940 277 T CB 0.429 69.275 68.868 -0.038 0.000 1.591 277 T HN 0.438 nan 8.240 nan 0.000 0.578 278 T N -0.228 114.332 114.554 0.010 0.000 2.898 278 T HA 0.249 4.599 4.350 -0.000 0.000 0.241 278 T C 2.230 176.978 174.700 0.080 0.000 1.024 278 T CA 0.658 62.777 62.100 0.032 0.000 1.174 278 T CB -1.096 67.763 68.868 -0.016 0.000 0.873 278 T HN 0.724 nan 8.240 nan 0.000 0.422 279 G N 1.417 110.294 108.800 0.128 0.000 2.552 279 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.216 279 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.216 279 G C 1.760 176.828 174.900 0.279 0.000 1.240 279 G CA 1.105 46.332 45.100 0.211 0.000 0.796 279 G HN 0.547 nan 8.290 nan 0.000 0.568 280 G N -0.273 108.748 108.800 0.367 0.000 2.440 280 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.218 280 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.218 280 G C 1.679 176.612 174.900 0.056 0.000 1.154 280 G CA 1.347 46.564 45.100 0.195 0.000 0.767 280 G HN 0.473 nan 8.290 nan 0.000 0.552 281 Y N 0.758 121.055 120.300 -0.005 0.000 2.097 281 Y HA -0.119 4.431 4.550 -0.000 0.000 0.282 281 Y C 2.466 178.368 175.900 0.005 0.000 1.152 281 Y CA 1.809 59.898 58.100 -0.017 0.000 1.136 281 Y CB -0.469 37.956 38.460 -0.059 0.000 0.975 281 Y HN 0.136 nan 8.280 nan 0.000 0.498 282 L N -0.529 120.603 121.223 -0.151 0.000 2.093 282 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 282 L C 2.312 179.076 176.870 -0.176 0.000 1.085 282 L CA 1.432 56.119 54.840 -0.255 0.000 0.755 282 L CB -0.914 41.063 42.059 -0.137 0.000 0.904 282 L HN 0.202 nan 8.230 nan 0.000 0.435 283 V N -1.232 118.662 119.914 -0.033 0.000 2.295 283 V HA -0.348 3.771 4.120 -0.000 0.000 0.246 283 V C 2.246 178.412 176.094 0.120 0.000 1.049 283 V CA 2.166 64.524 62.300 0.096 0.000 1.024 283 V CB -0.841 31.124 31.823 0.237 0.000 0.648 283 V HN 0.536 nan 8.190 nan 0.000 0.447 284 Y N 0.664 120.906 120.300 -0.098 0.000 2.200 284 Y HA -0.184 4.366 4.550 -0.000 0.000 0.290 284 Y C 2.422 178.203 175.900 -0.198 0.000 1.137 284 Y CA 1.504 59.551 58.100 -0.087 0.000 1.163 284 Y CB -0.240 38.117 38.460 -0.173 0.000 0.988 284 Y HN 0.192 nan 8.280 nan 0.000 0.518 285 A N -0.029 122.570 122.820 -0.369 0.000 1.898 285 A HA -0.133 4.186 4.320 -0.000 0.000 0.216 285 A C 2.326 179.709 177.584 -0.335 0.000 1.181 285 A CA 1.690 53.393 52.037 -0.557 0.000 0.620 285 A CB -1.328 17.206 19.000 -0.777 0.000 0.819 285 A HN 0.528 nan 8.150 nan 0.000 0.442 286 A N -1.105 121.592 122.820 -0.206 0.000 1.898 286 A HA -0.034 4.286 4.320 -0.000 0.000 0.216 286 A C 2.303 179.879 177.584 -0.013 0.000 1.181 286 A CA 2.185 54.176 52.037 -0.077 0.000 0.620 286 A CB -1.168 17.801 19.000 -0.051 0.000 0.819 286 A HN 0.416 nan 8.150 nan 0.000 0.442 287 T N 0.418 114.973 114.554 0.003 0.000 2.708 287 T HA -0.148 4.202 4.350 -0.000 0.000 0.266 287 T C 2.212 176.937 174.700 0.043 0.000 1.037 287 T CA 2.282 64.442 62.100 0.101 0.000 1.146 287 T CB -0.742 68.391 68.868 0.442 0.000 0.865 287 T HN 0.799 nan 8.240 nan 0.000 0.435 288 T N 0.942 115.333 114.554 -0.272 0.000 2.746 288 T HA -0.100 4.250 4.350 -0.000 0.000 0.267 288 T C 1.754 176.281 174.700 -0.289 0.000 1.039 288 T CA 1.019 62.739 62.100 -0.633 0.000 1.142 288 T CB -0.875 67.311 68.868 -1.136 0.000 0.866 288 T HN 0.329 nan 8.240 nan 0.000 0.444 289 F N 2.594 122.416 119.950 -0.213 0.000 2.069 289 F HA 0.011 4.538 4.527 -0.000 0.000 0.298 289 F C 2.427 178.259 175.800 0.053 0.000 1.113 289 F CA 1.673 59.690 58.000 0.029 0.000 1.214 289 F CB -0.338 38.660 39.000 -0.003 0.000 0.978 289 F HN 0.062 nan 8.300 nan 0.000 0.474 290 K N -0.712 119.600 120.400 -0.147 0.000 2.009 290 K HA -0.233 4.087 4.320 -0.000 0.000 0.210 290 K C 2.200 178.695 176.600 -0.176 0.000 1.049 290 K CA 2.225 58.370 56.287 -0.235 0.000 0.929 290 K CB -0.638 31.688 32.500 -0.290 0.000 0.714 290 K HN 0.470 nan 8.250 nan 0.000 0.440 291 Y N -0.387 119.966 120.300 0.088 0.000 2.286 291 Y HA -0.120 4.430 4.550 -0.000 0.000 0.293 291 Y C 2.212 178.125 175.900 0.023 0.000 1.124 291 Y CA 0.205 58.386 58.100 0.135 0.000 1.178 291 Y CB 0.281 38.942 38.460 0.335 0.000 1.010 291 Y HN -0.123 nan 8.280 nan 0.000 0.536 292 V N -0.915 119.005 119.914 0.009 0.000 2.453 292 V HA -0.245 3.875 4.120 -0.000 0.000 0.247 292 V C 1.280 177.143 176.094 -0.385 0.000 1.048 292 V CA 1.626 63.770 62.300 -0.261 0.000 1.049 292 V CB -0.514 31.011 31.823 -0.497 0.000 0.672 292 V HN 0.336 nan 8.190 nan 0.000 0.457 293 F N -0.472 119.393 119.950 -0.142 0.000 2.732 293 F HA 0.227 4.754 4.527 -0.000 0.000 0.303 293 F C 1.057 176.828 175.800 -0.047 0.000 1.110 293 F CA 0.217 58.129 58.000 -0.148 0.000 1.355 293 F CB -0.059 38.740 39.000 -0.335 0.000 1.081 293 F HN 0.157 nan 8.300 nan 0.000 0.565 294 D N 0.667 121.143 120.400 0.128 0.000 2.686 294 D HA -0.326 4.314 4.640 -0.000 0.000 0.235 294 D C -0.198 176.253 176.300 0.251 0.000 1.160 294 D CA 0.331 54.453 54.000 0.204 0.000 0.645 294 D CB -1.405 39.535 40.800 0.234 0.000 1.039 294 D HN 0.415 nan 8.370 nan 0.000 0.423 295 Y N 1.086 121.380 120.300 -0.010 0.000 2.632 295 Y HA 0.308 4.858 4.550 -0.000 0.000 0.329 295 Y C 0.004 175.923 175.900 0.032 0.000 1.174 295 Y CA 0.242 58.349 58.100 0.011 0.000 1.469 295 Y CB 0.348 38.714 38.460 -0.157 0.000 1.242 295 Y HN 0.175 nan 8.280 nan 0.000 0.540 296 H N 6.372 124.963 119.070 -0.798 0.000 2.572 296 H HA 0.383 4.939 4.556 -0.000 0.000 0.359 296 H C -2.468 172.330 175.328 -0.883 0.000 1.134 296 H CA -2.351 53.316 56.048 -0.634 0.000 1.187 296 H CB 1.298 30.911 29.762 -0.249 0.000 1.597 296 H HN 0.514 nan 8.280 nan 0.000 0.524 297 P HA -0.009 nan 4.420 nan 0.000 0.260 297 P C 0.832 178.104 177.300 -0.047 0.000 1.172 297 P CA 1.789 64.788 63.100 -0.169 0.000 0.760 297 P CB 0.436 32.122 31.700 -0.024 0.000 0.773 298 G N 2.137 110.985 108.800 0.081 0.000 2.213 298 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.236 298 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.236 298 G C -0.050 174.938 174.900 0.146 0.000 0.991 298 G CA -0.372 44.796 45.100 0.112 0.000 0.629 298 G HN 0.492 nan 8.290 nan 0.000 0.517 299 D N 1.153 121.646 120.400 0.156 0.000 2.424 299 D HA 0.386 5.026 4.640 -0.000 0.000 0.244 299 D C 0.856 177.353 176.300 0.329 0.000 1.134 299 D CA 0.095 54.229 54.000 0.223 0.000 0.881 299 D CB 0.698 41.645 40.800 0.245 0.000 1.191 299 D HN 0.139 nan 8.370 nan 0.000 0.445 300 I N 2.994 123.719 120.570 0.257 0.000 2.304 300 I HA 0.115 4.285 4.170 -0.000 0.000 0.291 300 I C -0.236 176.067 176.117 0.310 0.000 1.018 300 I CA -0.606 60.844 61.300 0.250 0.000 1.260 300 I CB -0.155 37.946 38.000 0.168 0.000 1.390 300 I HN 0.299 nan 8.210 nan 0.000 0.475 301 Y N 7.399 127.827 120.300 0.213 0.000 2.377 301 Y HA 0.499 5.049 4.550 -0.000 0.000 0.339 301 Y C -1.324 174.738 175.900 0.271 0.000 1.011 301 Y CA -0.698 57.534 58.100 0.220 0.000 1.093 301 Y CB 1.489 40.111 38.460 0.269 0.000 1.201 301 Y HN 0.590 nan 8.280 nan 0.000 0.455 302 W N 8.456 129.354 121.300 -0.670 0.000 2.687 302 W HA 0.508 5.168 4.660 0.000 0.000 0.328 302 W C -1.856 174.322 176.519 -0.569 0.000 1.012 302 W CA -1.765 55.291 57.345 -0.481 0.000 1.262 302 W CB 0.858 30.199 29.460 -0.198 0.000 1.331 302 W HN 0.848 nan 8.180 nan 0.000 0.433 303 C N 6.659 125.827 119.300 -0.220 0.000 2.295 303 C HA 0.535 4.995 4.460 -0.000 0.000 0.331 303 C C 1.615 176.565 174.990 -0.066 0.000 1.280 303 C CA 0.359 59.330 59.018 -0.080 0.000 1.746 303 C CB 0.205 28.167 27.740 0.369 0.000 2.328 303 C HN 0.776 nan 8.230 nan 0.000 0.521 304 T N 2.796 117.175 114.554 -0.291 0.000 3.100 304 T HA 0.248 4.598 4.350 -0.000 0.000 0.253 304 T C 0.813 175.568 174.700 0.092 0.000 1.118 304 T CA 0.595 62.616 62.100 -0.131 0.000 1.058 304 T CB -0.191 68.484 68.868 -0.322 0.000 0.953 304 T HN 1.182 nan 8.240 nan 0.000 0.515 305 A N 1.626 124.505 122.820 0.098 0.000 2.498 305 A HA 0.347 4.667 4.320 -0.000 0.000 0.239 305 A C 0.149 177.903 177.584 0.284 0.000 1.068 305 A CA -0.386 51.772 52.037 0.201 0.000 0.766 305 A CB -0.354 18.780 19.000 0.224 0.000 1.003 305 A HN 0.570 nan 8.150 nan 0.000 0.497 306 D N 1.045 121.665 120.400 0.366 0.000 2.399 306 D HA 0.123 4.763 4.640 -0.000 0.000 0.241 306 D C 1.129 177.522 176.300 0.156 0.000 1.133 306 D CA 0.434 54.583 54.000 0.247 0.000 0.890 306 D CB 0.968 41.913 40.800 0.241 0.000 1.201 306 D HN 0.245 nan 8.370 nan 0.000 0.432 307 V N 3.510 123.463 119.914 0.065 0.000 2.720 307 V HA -0.047 4.073 4.120 -0.000 0.000 0.256 307 V C 1.802 177.905 176.094 0.016 0.000 1.082 307 V CA 2.297 64.601 62.300 0.006 0.000 1.101 307 V CB -0.615 31.144 31.823 -0.107 0.000 0.693 307 V HN 0.768 nan 8.190 nan 0.000 0.479 308 G N -1.315 107.413 108.800 -0.119 0.000 2.744 308 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.211 308 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.211 308 G C 0.279 174.968 174.900 -0.352 0.000 1.143 308 G CA -0.274 44.670 45.100 -0.260 0.000 0.788 308 G HN 0.618 nan 8.290 nan 0.000 0.534 309 W N -2.078 119.271 121.300 0.082 0.000 2.576 309 W HA 0.481 5.141 4.660 -0.000 0.000 0.360 309 W C 1.122 177.618 176.519 -0.040 0.000 1.109 309 W CA -1.272 56.061 57.345 -0.021 0.000 1.237 309 W CB 1.453 30.892 29.460 -0.036 0.000 1.369 309 W HN -0.246 nan 8.180 nan 0.000 0.609 310 V N 1.155 121.188 119.914 0.198 0.000 2.490 310 V HA -0.262 3.858 4.120 -0.000 0.000 0.250 310 V C 1.650 178.024 176.094 0.467 0.000 1.061 310 V CA 2.769 65.165 62.300 0.159 0.000 1.064 310 V CB -0.577 31.362 31.823 0.193 0.000 0.670 310 V HN 0.822 nan 8.190 nan 0.000 0.461 311 T N 0.046 114.880 114.554 0.467 0.000 2.788 311 T HA -0.088 4.262 4.350 -0.000 0.000 0.268 311 T C 1.691 176.762 174.700 0.619 0.000 1.044 311 T CA 1.411 63.966 62.100 0.758 0.000 1.139 311 T CB -0.646 68.538 68.868 0.527 0.000 0.867 311 T HN 0.667 nan 8.240 nan 0.000 0.454 312 G N 0.532 109.602 108.800 0.449 0.000 2.402 312 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.216 312 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.216 312 G C 1.262 176.286 174.900 0.206 0.000 1.162 312 G CA 0.615 45.907 45.100 0.320 0.000 0.777 312 G HN 0.468 nan 8.290 nan 0.000 0.539 313 H N 0.948 120.019 119.070 0.001 0.000 2.270 313 H HA 0.026 4.582 4.556 -0.000 0.000 0.299 313 H C 3.030 178.310 175.328 -0.080 0.000 1.077 313 H CA 1.699 57.632 56.048 -0.193 0.000 1.294 313 H CB -0.349 29.266 29.762 -0.245 0.000 1.371 313 H HN 0.298 nan 8.280 nan 0.000 0.491 314 S N -0.729 115.110 115.700 0.233 0.000 2.387 314 S HA -0.067 4.403 4.470 -0.000 0.000 0.226 314 S C 1.001 175.200 174.600 -0.669 0.000 1.026 314 S CA 1.021 59.097 58.200 -0.207 0.000 0.972 314 S CB -0.021 62.907 63.200 -0.454 0.000 0.814 314 S HN 0.459 nan 8.310 nan 0.000 0.477 315 Y N -0.196 120.266 120.300 0.270 0.000 2.500 315 Y HA 0.479 5.029 4.550 -0.000 0.000 0.246 315 Y C 1.366 177.491 175.900 0.376 0.000 1.146 315 Y CA -0.329 57.963 58.100 0.319 0.000 1.230 315 Y CB 0.311 39.156 38.460 0.643 0.000 1.214 315 Y HN 0.126 nan 8.280 nan 0.000 0.526 316 L N -1.144 120.263 121.223 0.306 0.000 2.362 316 L HA 0.145 4.485 4.340 -0.000 0.000 0.204 316 L C 1.165 178.063 176.870 0.047 0.000 1.060 316 L CA 0.767 55.766 54.840 0.265 0.000 0.827 316 L CB 0.273 42.454 42.059 0.202 0.000 1.027 316 L HN 0.207 nan 8.230 nan 0.000 0.474 317 L N -2.157 118.993 121.223 -0.122 0.000 2.783 317 L HA 0.034 4.374 4.340 -0.000 0.000 0.174 317 L C 2.388 179.146 176.870 -0.187 0.000 1.235 317 L CA 0.027 54.719 54.840 -0.247 0.000 0.862 317 L CB -0.814 40.946 42.059 -0.499 0.000 1.249 317 L HN 0.021 nan 8.230 nan 0.000 0.518 318 Y N 1.314 121.551 120.300 -0.105 0.000 2.097 318 Y HA -0.152 4.398 4.550 -0.000 0.000 0.282 318 Y C 2.561 178.304 175.900 -0.261 0.000 1.152 318 Y CA 1.155 59.188 58.100 -0.111 0.000 1.136 318 Y CB -1.616 36.870 38.460 0.044 0.000 0.975 318 Y HN 0.164 nan 8.280 nan 0.000 0.498 319 G N 0.431 109.074 108.800 -0.263 0.000 2.433 319 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.216 319 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.216 319 G C -0.456 173.972 174.900 -0.788 0.000 1.186 319 G CA 1.093 45.920 45.100 -0.455 0.000 0.779 319 G HN 0.329 nan 8.290 nan 0.000 0.543 320 P HA -0.035 nan 4.420 nan 0.000 0.216 320 P C 2.111 179.045 177.300 -0.609 0.000 1.153 320 P CA 0.839 63.062 63.100 -1.461 0.000 0.848 320 P CB -0.132 30.859 31.700 -1.182 0.000 0.787 321 L N -0.627 120.422 121.223 -0.290 0.000 2.093 321 L HA -0.089 4.251 4.340 -0.000 0.000 0.208 321 L C 2.765 179.674 176.870 0.065 0.000 1.085 321 L CA 1.365 56.192 54.840 -0.021 0.000 0.755 321 L CB -1.137 40.963 42.059 0.068 0.000 0.904 321 L HN -0.057 nan 8.230 nan 0.000 0.435 322 A N -0.967 121.854 122.820 0.001 0.000 1.972 322 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 322 A C 2.175 179.825 177.584 0.110 0.000 1.169 322 A CA 1.679 53.767 52.037 0.086 0.000 0.635 322 A CB -0.954 18.029 19.000 -0.029 0.000 0.810 322 A HN 0.558 nan 8.150 nan 0.000 0.446 323 C N -1.133 118.112 119.300 -0.092 0.000 2.626 323 C HA 0.433 4.893 4.460 -0.000 0.000 0.266 323 C C 1.916 176.798 174.990 -0.180 0.000 1.317 323 C CA 0.158 59.130 59.018 -0.077 0.000 1.716 323 C CB -1.237 26.432 27.740 -0.118 0.000 1.819 323 C HN 1.067 nan 8.230 nan 0.000 0.578 324 G N 0.772 109.294 108.800 -0.464 0.000 2.147 324 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.244 324 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.244 324 G C 0.148 174.920 174.900 -0.214 0.000 1.005 324 G CA 0.315 44.922 45.100 -0.821 0.000 0.713 324 G HN 0.880 nan 8.290 nan 0.000 0.515 325 A N -0.673 122.028 122.820 -0.200 0.000 2.272 325 A HA 0.794 5.114 4.320 -0.000 0.000 0.275 325 A C 0.691 178.360 177.584 0.141 0.000 1.096 325 A CA 0.703 52.705 52.037 -0.058 0.000 0.822 325 A CB 0.610 19.339 19.000 -0.451 0.000 1.088 325 A HN 0.735 nan 8.150 nan 0.000 0.495 326 T N 1.333 116.020 114.554 0.220 0.000 2.733 326 T HA 0.479 4.829 4.350 -0.000 0.000 0.294 326 T C -0.058 174.744 174.700 0.169 0.000 0.956 326 T CA 0.167 62.367 62.100 0.167 0.000 0.987 326 T CB 0.583 69.560 68.868 0.182 0.000 0.920 326 T HN 0.691 nan 8.240 nan 0.000 0.470 327 T N 3.911 118.521 114.554 0.093 0.000 2.823 327 T HA 0.631 4.981 4.350 -0.000 0.000 0.279 327 T C -0.679 174.058 174.700 0.061 0.000 0.998 327 T CA -0.734 61.471 62.100 0.174 0.000 0.994 327 T CB 0.629 69.582 68.868 0.143 0.000 0.960 327 T HN 0.467 nan 8.240 nan 0.000 0.448 328 L N 5.867 127.132 121.223 0.070 0.000 2.282 328 L HA 0.645 4.985 4.340 -0.000 0.000 0.288 328 L C -0.280 176.593 176.870 0.006 0.000 1.033 328 L CA -0.690 54.077 54.840 -0.123 0.000 0.807 328 L CB 1.116 42.928 42.059 -0.412 0.000 1.209 328 L HN 0.697 nan 8.230 nan 0.000 0.423 329 M N 5.758 125.352 119.600 -0.010 0.000 2.072 329 M HA 0.316 4.796 4.480 -0.000 0.000 0.331 329 M C -1.654 174.712 176.300 0.110 0.000 1.004 329 M CA -0.661 54.726 55.300 0.145 0.000 0.952 329 M CB 1.001 33.718 32.600 0.194 0.000 1.511 329 M HN 0.545 nan 8.290 nan 0.000 0.422 330 F N 4.142 124.103 119.950 0.018 0.000 2.410 330 F HA 0.281 4.808 4.527 -0.000 0.000 0.349 330 F C 0.993 176.807 175.800 0.022 0.000 1.117 330 F CA -0.443 57.515 58.000 -0.070 0.000 1.104 330 F CB 1.064 40.170 39.000 0.177 0.000 1.122 330 F HN 0.770 nan 8.300 nan 0.000 0.483 331 E N 3.242 123.139 120.200 -0.505 0.000 2.216 331 E HA 0.097 4.447 4.350 -0.000 0.000 0.192 331 E C 0.996 177.215 176.600 -0.635 0.000 0.988 331 E CA 0.794 56.965 56.400 -0.382 0.000 0.834 331 E CB 0.047 29.638 29.700 -0.183 0.000 0.772 331 E HN 0.896 nan 8.360 nan 0.000 0.479 332 G N 0.331 108.273 108.800 -1.430 0.000 3.134 332 G HA2 0.427 4.387 3.960 -0.000 0.000 0.158 332 G HA3 0.427 4.387 3.960 -0.000 0.000 0.158 332 G C -0.361 174.233 174.900 -0.509 0.000 1.334 332 G CA 0.113 44.672 45.100 -0.901 0.000 1.001 332 G HN 0.188 nan 8.290 nan 0.000 0.600 333 V N -2.177 117.774 119.914 0.061 0.000 2.769 333 V HA 0.614 4.734 4.120 -0.000 0.000 0.312 333 V C -1.721 174.761 176.094 0.647 0.000 1.061 333 V CA -1.825 60.693 62.300 0.363 0.000 0.931 333 V CB 2.223 34.182 31.823 0.226 0.000 1.010 333 V HN 0.492 nan 8.190 nan 0.000 0.433 334 P HA -0.127 nan 4.420 nan 0.000 0.223 334 P C 0.489 177.936 177.300 0.245 0.000 1.144 334 P CA 1.708 65.000 63.100 0.321 0.000 0.783 334 P CB -0.169 31.634 31.700 0.172 0.000 0.771 335 N N -3.351 115.506 118.700 0.261 0.000 2.351 335 N HA 0.140 4.880 4.740 -0.000 0.000 0.254 335 N C -0.711 174.953 175.510 0.257 0.000 1.241 335 N CA -0.811 52.362 53.050 0.205 0.000 0.883 335 N CB -0.031 38.548 38.487 0.153 0.000 1.202 335 N HN 0.042 nan 8.380 nan 0.000 0.512 336 W N 2.509 123.893 121.300 0.140 0.000 2.883 336 W HA 0.457 5.117 4.660 -0.000 0.000 0.335 336 W C -2.268 174.326 176.519 0.124 0.000 1.083 336 W CA -1.858 55.553 57.345 0.111 0.000 1.233 336 W CB 1.974 31.491 29.460 0.095 0.000 1.412 336 W HN -0.187 nan 8.180 nan 0.000 0.490 337 P HA -0.030 nan 4.420 nan 0.000 0.229 337 P C 0.286 177.295 177.300 -0.485 0.000 1.160 337 P CA 1.279 63.579 63.100 -1.334 0.000 0.777 337 P CB 0.523 31.445 31.700 -1.297 0.000 0.814 338 T N -5.806 108.615 114.554 -0.221 0.000 2.887 338 T HA 0.466 4.816 4.350 -0.000 0.000 0.292 338 T C -2.564 172.140 174.700 0.006 0.000 1.087 338 T CA -2.147 59.901 62.100 -0.085 0.000 1.009 338 T CB 1.904 70.721 68.868 -0.085 0.000 1.203 338 T HN -0.380 nan 8.240 nan 0.000 0.518 339 P HA 0.088 nan 4.420 nan 0.000 0.223 339 P C 1.149 178.496 177.300 0.078 0.000 1.144 339 P CA 0.925 64.066 63.100 0.069 0.000 0.783 339 P CB -0.157 31.583 31.700 0.067 0.000 0.771 340 A N -1.045 121.802 122.820 0.046 0.000 2.251 340 A HA -0.003 4.317 4.320 -0.000 0.000 0.209 340 A C 2.168 179.768 177.584 0.028 0.000 1.187 340 A CA 0.386 52.447 52.037 0.040 0.000 0.823 340 A CB -0.757 18.250 19.000 0.011 0.000 0.846 340 A HN -0.070 nan 8.150 nan 0.000 0.486 341 R N 0.272 120.792 120.500 0.033 0.000 2.094 341 R HA -0.190 4.150 4.340 -0.000 0.000 0.239 341 R C 2.004 178.314 176.300 0.016 0.000 1.137 341 R CA 2.510 58.624 56.100 0.023 0.000 0.943 341 R CB -0.722 29.636 30.300 0.096 0.000 0.850 341 R HN 0.565 nan 8.270 nan 0.000 0.433 342 M N -0.763 118.885 119.600 0.080 0.000 2.073 342 M HA -0.268 4.212 4.480 -0.000 0.000 0.258 342 M C 1.992 178.387 176.300 0.158 0.000 1.070 342 M CA 2.286 57.674 55.300 0.145 0.000 1.103 342 M CB -0.283 32.379 32.600 0.102 0.000 1.321 342 M HN 0.360 nan 8.290 nan 0.000 0.405 343 C N 0.294 119.647 119.300 0.089 0.000 2.432 343 C HA -0.088 4.372 4.460 -0.000 0.000 0.280 343 C C 2.492 177.487 174.990 0.008 0.000 1.353 343 C CA 0.712 59.763 59.018 0.055 0.000 1.766 343 C CB -1.194 26.561 27.740 0.025 0.000 1.924 343 C HN 0.631 nan 8.230 nan 0.000 0.509 344 Q N -0.020 119.767 119.800 -0.020 0.000 2.123 344 Q HA -0.114 4.226 4.340 -0.000 0.000 0.199 344 Q C 2.314 178.240 176.000 -0.123 0.000 0.966 344 Q CA 1.247 57.008 55.803 -0.071 0.000 0.845 344 Q CB -0.098 28.594 28.738 -0.077 0.000 0.907 344 Q HN 0.566 nan 8.270 nan 0.000 0.439 345 V N 0.037 119.865 119.914 -0.144 0.000 2.358 345 V HA -0.219 3.901 4.120 -0.000 0.000 0.246 345 V C 2.193 178.183 176.094 -0.173 0.000 1.047 345 V CA 1.292 63.426 62.300 -0.275 0.000 1.035 345 V CB -0.417 31.050 31.823 -0.593 0.000 0.658 345 V HN 0.182 nan 8.190 nan 0.000 0.452 346 V N 0.369 120.287 119.914 0.007 0.000 2.287 346 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 346 V C 2.301 178.390 176.094 -0.008 0.000 1.053 346 V CA 2.344 64.689 62.300 0.075 0.000 1.027 346 V CB -0.678 31.223 31.823 0.129 0.000 0.646 346 V HN 0.571 nan 8.190 nan 0.000 0.447 347 D N -0.370 120.000 120.400 -0.049 0.000 2.097 347 D HA -0.156 4.484 4.640 -0.000 0.000 0.197 347 D C 2.159 178.386 176.300 -0.122 0.000 0.984 347 D CA 1.309 55.267 54.000 -0.070 0.000 0.826 347 D CB -0.264 40.492 40.800 -0.073 0.000 0.973 347 D HN 0.404 nan 8.370 nan 0.000 0.460 348 K N 0.062 120.332 120.400 -0.216 0.000 2.074 348 K HA -0.168 4.152 4.320 -0.000 0.000 0.209 348 K C 1.209 177.537 176.600 -0.454 0.000 1.048 348 K CA 1.250 57.309 56.287 -0.380 0.000 0.926 348 K CB 0.074 32.231 32.500 -0.572 0.000 0.713 348 K HN 0.256 nan 8.250 nan 0.000 0.444 349 H N 0.035 119.052 119.070 -0.088 0.000 2.594 349 H HA 0.136 4.692 4.556 -0.000 0.000 0.279 349 H C -0.120 175.197 175.328 -0.019 0.000 1.042 349 H CA 0.056 56.070 56.048 -0.058 0.000 1.177 349 H CB 0.839 30.513 29.762 -0.146 0.000 1.524 349 H HN 0.233 nan 8.280 nan 0.000 0.537 350 Q N 0.357 120.184 119.800 0.045 0.000 2.451 350 Q HA -0.137 4.203 4.340 -0.000 0.000 0.305 350 Q C -0.115 175.933 176.000 0.078 0.000 1.345 350 Q CA 0.223 56.054 55.803 0.047 0.000 0.854 350 Q CB -2.285 26.480 28.738 0.046 0.000 1.162 350 Q HN 0.193 nan 8.270 nan 0.000 0.440 351 V N 0.927 120.897 119.914 0.092 0.000 2.599 351 V HA -0.102 4.018 4.120 -0.000 0.000 0.300 351 V C 1.591 177.750 176.094 0.108 0.000 1.034 351 V CA 1.164 63.542 62.300 0.129 0.000 1.115 351 V CB 0.637 32.579 31.823 0.199 0.000 0.934 351 V HN 0.481 nan 8.190 nan 0.000 0.485 352 N N 3.442 122.217 118.700 0.126 0.000 2.414 352 N HA 0.335 5.075 4.740 -0.000 0.000 0.177 352 N C -0.186 175.389 175.510 0.109 0.000 1.062 352 N CA 0.132 53.242 53.050 0.101 0.000 0.890 352 N CB 0.495 39.050 38.487 0.113 0.000 1.070 352 N HN 0.577 nan 8.380 nan 0.000 0.454 353 I N 1.438 122.092 120.570 0.140 0.000 2.478 353 I HA 0.287 4.457 4.170 -0.000 0.000 0.287 353 I C -1.566 174.553 176.117 0.004 0.000 1.042 353 I CA -0.875 60.494 61.300 0.115 0.000 1.067 353 I CB 2.265 40.403 38.000 0.230 0.000 1.233 353 I HN -0.089 nan 8.210 nan 0.000 0.431 354 L N 7.904 129.132 121.223 0.009 0.000 2.325 354 L HA 0.520 4.860 4.340 -0.000 0.000 0.281 354 L C -1.686 175.217 176.870 0.054 0.000 1.004 354 L CA -0.438 54.375 54.840 -0.045 0.000 0.823 354 L CB 1.192 43.246 42.059 -0.009 0.000 1.236 354 L HN 0.456 nan 8.230 nan 0.000 0.415 355 Y N 4.533 124.686 120.300 -0.245 0.000 2.332 355 Y HA 0.687 5.237 4.550 -0.000 0.000 0.326 355 Y C -0.419 175.404 175.900 -0.128 0.000 0.978 355 Y CA -0.328 57.735 58.100 -0.062 0.000 1.205 355 Y CB 1.366 39.806 38.460 -0.033 0.000 1.131 355 Y HN 0.791 nan 8.280 nan 0.000 0.462 356 T N 3.379 117.815 114.554 -0.195 0.000 2.626 356 T HA 0.906 5.256 4.350 -0.000 0.000 0.279 356 T C -1.384 173.115 174.700 -0.334 0.000 0.983 356 T CA -0.185 61.714 62.100 -0.334 0.000 1.059 356 T CB 1.020 69.703 68.868 -0.310 0.000 1.396 356 T HN 0.762 nan 8.240 nan 0.000 0.519 357 A N 1.093 123.739 122.820 -0.290 0.000 2.340 357 A HA 0.729 5.049 4.320 -0.000 0.000 0.331 357 A C -2.112 175.329 177.584 -0.237 0.000 1.140 357 A CA -1.641 50.244 52.037 -0.253 0.000 0.801 357 A CB 0.977 19.831 19.000 -0.243 0.000 1.234 357 A HN 0.604 nan 8.150 nan 0.000 0.469 358 P HA -0.136 nan 4.420 nan 0.000 0.216 358 P C 1.522 178.742 177.300 -0.134 0.000 1.150 358 P CA 2.025 65.036 63.100 -0.148 0.000 0.843 358 P CB 0.162 31.819 31.700 -0.072 0.000 0.787 359 T N -0.793 113.683 114.554 -0.130 0.000 2.720 359 T HA -0.167 4.183 4.350 -0.000 0.000 0.268 359 T C 1.846 176.488 174.700 -0.096 0.000 1.037 359 T CA 1.716 63.755 62.100 -0.101 0.000 1.144 359 T CB -0.893 67.907 68.868 -0.113 0.000 0.864 359 T HN 0.057 nan 8.240 nan 0.000 0.444 360 A N 0.916 123.667 122.820 -0.114 0.000 1.898 360 A HA 0.010 4.330 4.320 -0.000 0.000 0.216 360 A C 2.269 179.789 177.584 -0.107 0.000 1.181 360 A CA 1.104 53.090 52.037 -0.085 0.000 0.620 360 A CB -0.717 18.230 19.000 -0.088 0.000 0.819 360 A HN 0.526 nan 8.150 nan 0.000 0.442 361 I N -0.793 119.678 120.570 -0.165 0.000 2.179 361 I HA -0.287 3.883 4.170 -0.000 0.000 0.242 361 I C 2.757 178.729 176.117 -0.242 0.000 1.088 361 I CA 1.467 62.664 61.300 -0.171 0.000 1.357 361 I CB -0.322 37.522 38.000 -0.260 0.000 1.051 361 I HN 0.294 nan 8.210 nan 0.000 0.409 362 R N 0.591 120.973 120.500 -0.197 0.000 2.115 362 R HA -0.074 4.266 4.340 -0.000 0.000 0.230 362 R C 2.418 178.591 176.300 -0.212 0.000 1.111 362 R CA 1.251 57.222 56.100 -0.215 0.000 0.976 362 R CB -0.382 29.847 30.300 -0.117 0.000 0.870 362 R HN 0.361 nan 8.270 nan 0.000 0.445 363 A N 1.178 123.915 122.820 -0.138 0.000 1.930 363 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 363 A C 2.116 179.630 177.584 -0.117 0.000 1.175 363 A CA 1.062 53.048 52.037 -0.085 0.000 0.627 363 A CB -0.351 18.635 19.000 -0.023 0.000 0.815 363 A HN 0.160 nan 8.150 nan 0.000 0.443 364 L N -1.478 119.648 121.223 -0.162 0.000 2.131 364 L HA -0.060 4.280 4.340 -0.000 0.000 0.206 364 L C 2.750 179.368 176.870 -0.420 0.000 1.087 364 L CA 1.372 56.127 54.840 -0.143 0.000 0.767 364 L CB -0.403 41.673 42.059 0.028 0.000 0.917 364 L HN 0.549 nan 8.230 nan 0.000 0.441 365 M N 0.112 119.156 119.600 -0.926 0.000 2.213 365 M HA -0.185 4.295 4.480 -0.000 0.000 0.263 365 M C 2.210 178.153 176.300 -0.596 0.000 1.062 365 M CA 1.849 56.288 55.300 -1.435 0.000 1.105 365 M CB -0.083 31.657 32.600 -1.434 0.000 1.385 365 M HN 0.232 nan 8.290 nan 0.000 0.417 366 A N -0.046 122.566 122.820 -0.348 0.000 2.070 366 A HA -0.110 4.210 4.320 -0.000 0.000 0.220 366 A C 1.675 179.201 177.584 -0.097 0.000 1.159 366 A CA 1.406 53.338 52.037 -0.176 0.000 0.656 366 A CB -0.444 18.487 19.000 -0.116 0.000 0.800 366 A HN 0.583 nan 8.150 nan 0.000 0.453 367 E N -0.706 119.445 120.200 -0.081 0.000 2.474 367 E HA 0.271 4.621 4.350 -0.000 0.000 0.195 367 E C 1.404 178.039 176.600 0.058 0.000 1.039 367 E CA 0.545 56.946 56.400 0.001 0.000 0.881 367 E CB -0.402 29.314 29.700 0.026 0.000 0.970 367 E HN 0.607 nan 8.360 nan 0.000 0.486 368 G N 2.377 111.219 108.800 0.070 0.000 2.566 368 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.280 368 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.280 368 G C 0.516 175.613 174.900 0.328 0.000 1.225 368 G CA 0.420 45.652 45.100 0.220 0.000 0.966 368 G HN 0.240 nan 8.290 nan 0.000 0.560 369 D N 0.702 121.236 120.400 0.224 0.000 2.351 369 D HA 0.044 4.684 4.640 -0.000 0.000 0.216 369 D C 2.339 178.710 176.300 0.119 0.000 0.968 369 D CA 1.139 55.232 54.000 0.155 0.000 0.899 369 D CB -0.062 40.788 40.800 0.084 0.000 0.907 369 D HN 0.548 nan 8.370 nan 0.000 0.514 370 K N 0.128 120.597 120.400 0.117 0.000 2.280 370 K HA -0.010 4.310 4.320 -0.000 0.000 0.202 370 K C 1.842 178.500 176.600 0.097 0.000 1.047 370 K CA 0.871 57.206 56.287 0.080 0.000 0.942 370 K CB 0.093 32.631 32.500 0.063 0.000 0.739 370 K HN 0.062 nan 8.250 nan 0.000 0.457 371 A N 1.194 124.115 122.820 0.168 0.000 2.119 371 A HA -0.013 4.307 4.320 -0.000 0.000 0.216 371 A C 1.843 179.504 177.584 0.128 0.000 1.152 371 A CA 0.778 52.932 52.037 0.194 0.000 0.708 371 A CB -0.427 18.805 19.000 0.387 0.000 0.805 371 A HN 0.464 nan 8.150 nan 0.000 0.460 372 I N -4.478 116.140 120.570 0.079 0.000 4.240 372 I HA 0.310 4.480 4.170 -0.000 0.000 0.331 372 I C 0.393 176.506 176.117 -0.007 0.000 1.381 372 I CA -0.286 61.018 61.300 0.007 0.000 1.136 372 I CB 0.015 37.978 38.000 -0.061 0.000 1.137 372 I HN 0.086 nan 8.210 nan 0.000 0.411 373 E N 2.729 122.936 120.200 0.010 0.000 2.585 373 E HA 0.182 4.532 4.350 -0.000 0.000 0.252 373 E C 1.344 177.935 176.600 -0.015 0.000 0.981 373 E CA 1.229 57.628 56.400 -0.002 0.000 0.943 373 E CB 0.175 29.880 29.700 0.008 0.000 0.923 373 E HN 0.610 nan 8.360 nan 0.000 0.486 374 G N 3.256 112.042 108.800 -0.024 0.000 2.179 374 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.260 374 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.260 374 G C 0.318 175.196 174.900 -0.037 0.000 0.977 374 G CA 0.629 45.711 45.100 -0.030 0.000 0.641 374 G HN 0.775 nan 8.290 nan 0.000 0.533 375 T N -2.737 111.794 114.554 -0.038 0.000 2.929 375 T HA 0.674 5.024 4.350 -0.000 0.000 0.284 375 T C 0.553 175.222 174.700 -0.053 0.000 1.014 375 T CA 0.400 62.474 62.100 -0.044 0.000 1.051 375 T CB 2.502 71.348 68.868 -0.037 0.000 1.028 375 T HN 0.030 nan 8.240 nan 0.000 0.485 376 D N 0.475 120.843 120.400 -0.054 0.000 2.320 376 D HA 0.114 4.754 4.640 -0.000 0.000 0.228 376 D C 1.211 177.469 176.300 -0.071 0.000 0.978 376 D CA 0.252 54.217 54.000 -0.060 0.000 0.905 376 D CB 0.113 40.882 40.800 -0.053 0.000 1.051 376 D HN 0.741 nan 8.370 nan 0.000 0.471 377 R N -1.284 119.178 120.500 -0.063 0.000 3.994 377 R HA -0.168 4.172 4.340 -0.000 0.000 0.403 377 R C 1.319 177.572 176.300 -0.077 0.000 1.126 377 R CA 0.739 56.797 56.100 -0.070 0.000 1.143 377 R CB -2.169 28.070 30.300 -0.102 0.000 1.695 377 R HN 0.080 nan 8.270 nan 0.000 0.555 378 S N -0.088 115.571 115.700 -0.068 0.000 2.474 378 S HA -0.129 4.341 4.470 -0.000 0.000 0.235 378 S C 1.752 176.322 174.600 -0.051 0.000 0.997 378 S CA 1.291 59.451 58.200 -0.067 0.000 0.949 378 S CB 0.008 63.174 63.200 -0.058 0.000 0.766 378 S HN 0.651 nan 8.310 nan 0.000 0.517 379 S N 1.095 116.775 115.700 -0.033 0.000 2.481 379 S HA 0.125 4.595 4.470 -0.000 0.000 0.231 379 S C 0.607 175.201 174.600 -0.009 0.000 0.996 379 S CA 0.057 58.250 58.200 -0.013 0.000 0.942 379 S CB -0.592 62.613 63.200 0.008 0.000 0.768 379 S HN 0.354 nan 8.310 nan 0.000 0.520 380 L N 1.533 122.739 121.223 -0.028 0.000 2.453 380 L HA 0.307 4.647 4.340 -0.000 0.000 0.272 380 L C 1.576 178.417 176.870 -0.049 0.000 1.182 380 L CA -0.156 54.664 54.840 -0.033 0.000 0.858 380 L CB 0.508 42.525 42.059 -0.071 0.000 1.120 380 L HN 0.205 nan 8.230 nan 0.000 0.474 381 R N 2.462 122.949 120.500 -0.022 0.000 2.561 381 R HA 0.393 4.733 4.340 -0.000 0.000 0.213 381 R C -0.479 175.817 176.300 -0.006 0.000 0.885 381 R CA -0.159 55.928 56.100 -0.022 0.000 1.002 381 R CB 0.988 31.285 30.300 -0.005 0.000 1.432 381 R HN 0.356 nan 8.270 nan 0.000 0.651 382 I N 2.017 122.604 120.570 0.028 0.000 2.582 382 I HA 0.396 4.566 4.170 -0.000 0.000 0.292 382 I C -0.628 175.522 176.117 0.055 0.000 1.066 382 I CA -0.659 60.681 61.300 0.067 0.000 1.053 382 I CB 2.084 40.183 38.000 0.165 0.000 1.241 382 I HN 0.014 nan 8.210 nan 0.000 0.421 383 L N 4.060 125.296 121.223 0.022 0.000 2.319 383 L HA 0.923 5.263 4.340 -0.000 0.000 0.267 383 L C 0.256 177.253 176.870 0.212 0.000 1.011 383 L CA -0.580 54.265 54.840 0.009 0.000 0.818 383 L CB 2.458 44.291 42.059 -0.377 0.000 1.316 383 L HN 0.729 nan 8.230 nan 0.000 0.432 384 G N -0.228 108.819 108.800 0.412 0.000 2.690 384 G HA2 0.561 4.521 3.960 -0.000 0.000 0.293 384 G HA3 0.561 4.521 3.960 -0.000 0.000 0.293 384 G C -1.892 173.333 174.900 0.542 0.000 1.399 384 G CA -0.334 45.093 45.100 0.546 0.000 0.890 384 G HN 0.413 nan 8.290 nan 0.000 0.485 385 S N -0.821 115.124 115.700 0.409 0.000 2.547 385 S HA 0.780 5.250 4.470 -0.000 0.000 0.281 385 S C -1.304 173.382 174.600 0.144 0.000 1.118 385 S CA -0.570 57.724 58.200 0.158 0.000 0.947 385 S CB 1.776 65.051 63.200 0.124 0.000 1.053 385 S HN 1.571 nan 8.310 nan 0.000 0.482 386 V N 3.800 123.685 119.914 -0.048 0.000 3.178 386 V HA 0.795 4.915 4.120 -0.000 0.000 0.302 386 V C 0.745 176.770 176.094 -0.115 0.000 1.262 386 V CA 0.719 63.013 62.300 -0.010 0.000 1.030 386 V CB 1.424 33.253 31.823 0.011 0.000 1.074 386 V HN 1.738 nan 8.190 nan 0.000 0.438 387 G N 3.182 111.909 108.800 -0.122 0.000 2.258 387 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.233 387 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.233 387 G C -0.019 174.798 174.900 -0.138 0.000 1.006 387 G CA 0.981 45.958 45.100 -0.205 0.000 0.620 387 G HN 1.749 nan 8.290 nan 0.000 0.511 388 E N -0.908 119.260 120.200 -0.052 0.000 2.427 388 E HA 0.520 4.870 4.350 -0.000 0.000 0.279 388 E C -3.371 173.260 176.600 0.051 0.000 1.120 388 E CA -1.766 54.631 56.400 -0.005 0.000 0.869 388 E CB 0.477 30.145 29.700 -0.054 0.000 1.393 388 E HN 0.088 nan 8.360 nan 0.000 0.443 389 P HA 0.287 nan 4.420 nan 0.000 0.272 389 P C -0.831 176.524 177.300 0.092 0.000 1.230 389 P CA -0.277 62.883 63.100 0.101 0.000 0.788 389 P CB 0.511 32.272 31.700 0.102 0.000 0.949 390 I N 1.683 122.331 120.570 0.131 0.000 2.468 390 I HA 0.275 4.445 4.170 -0.000 0.000 0.285 390 I C -0.490 175.738 176.117 0.187 0.000 1.039 390 I CA -1.089 60.302 61.300 0.151 0.000 1.074 390 I CB 1.095 39.213 38.000 0.197 0.000 1.228 390 I HN 0.371 nan 8.210 nan 0.000 0.436 391 N N 7.440 126.233 118.700 0.155 0.000 2.415 391 N HA 0.300 5.040 4.740 -0.000 0.000 0.248 391 N C -2.283 173.350 175.510 0.205 0.000 1.271 391 N CA -1.115 52.026 53.050 0.152 0.000 0.913 391 N CB 0.147 38.697 38.487 0.105 0.000 1.129 391 N HN 0.259 nan 8.380 nan 0.000 0.444 392 P HA -0.248 nan 4.420 nan 0.000 0.216 392 P C 1.045 178.508 177.300 0.272 0.000 1.154 392 P CA 1.524 64.730 63.100 0.178 0.000 0.865 392 P CB 0.096 31.850 31.700 0.090 0.000 0.789 393 E N -0.442 119.884 120.200 0.211 0.000 2.038 393 E HA -0.227 4.123 4.350 -0.000 0.000 0.195 393 E C 1.932 178.711 176.600 0.298 0.000 1.000 393 E CA 1.453 57.988 56.400 0.225 0.000 0.803 393 E CB -0.567 29.218 29.700 0.143 0.000 0.750 393 E HN 0.083 nan 8.360 nan 0.000 0.448 394 A N 0.476 123.449 122.820 0.255 0.000 1.898 394 A HA -0.184 4.136 4.320 -0.000 0.000 0.216 394 A C 1.900 179.731 177.584 0.411 0.000 1.181 394 A CA 1.327 53.521 52.037 0.262 0.000 0.620 394 A CB -1.240 17.842 19.000 0.137 0.000 0.819 394 A HN 0.687 nan 8.150 nan 0.000 0.442 395 W N 0.904 122.340 121.300 0.227 0.000 2.335 395 W HA -0.209 4.451 4.660 -0.000 0.000 0.311 395 W C 2.565 179.273 176.519 0.315 0.000 1.213 395 W CA 3.395 60.895 57.345 0.259 0.000 1.274 395 W CB -0.228 29.321 29.460 0.150 0.000 1.148 395 W HN 0.445 nan 8.180 nan 0.000 0.498 396 E N -0.431 120.186 120.200 0.695 0.000 2.051 396 E HA -0.286 4.064 4.350 -0.000 0.000 0.192 396 E C 1.508 178.375 176.600 0.446 0.000 0.991 396 E CA 1.486 58.241 56.400 0.591 0.000 0.799 396 E CB -1.792 28.205 29.700 0.495 0.000 0.748 396 E HN 0.621 nan 8.360 nan 0.000 0.449 397 W N -0.409 121.037 121.300 0.244 0.000 2.355 397 W HA -0.188 4.472 4.660 -0.000 0.000 0.309 397 W C 2.242 178.855 176.519 0.156 0.000 1.206 397 W CA 2.068 59.515 57.345 0.170 0.000 1.284 397 W CB -0.362 29.179 29.460 0.136 0.000 1.145 397 W HN 0.388 nan 8.180 nan 0.000 0.502 398 Y N -0.408 120.080 120.300 0.313 0.000 2.114 398 Y HA -0.267 4.283 4.550 -0.000 0.000 0.284 398 Y C 2.166 177.963 175.900 -0.172 0.000 1.143 398 Y CA 2.197 60.344 58.100 0.078 0.000 1.135 398 Y CB -1.578 36.927 38.460 0.075 0.000 0.980 398 Y HN 0.170 nan 8.280 nan 0.000 0.499 399 W N 1.653 122.684 121.300 -0.447 0.000 2.358 399 W HA -0.181 4.479 4.660 -0.000 0.000 0.303 399 W C 2.505 178.772 176.519 -0.421 0.000 1.208 399 W CA 2.820 59.774 57.345 -0.653 0.000 1.274 399 W CB -0.325 28.572 29.460 -0.939 0.000 1.138 399 W HN 0.075 nan 8.180 nan 0.000 0.515 400 K N -0.015 120.229 120.400 -0.259 0.000 2.044 400 K HA -0.109 4.211 4.320 -0.000 0.000 0.204 400 K C 2.120 178.428 176.600 -0.486 0.000 1.045 400 K CA 1.030 57.071 56.287 -0.411 0.000 0.951 400 K CB -0.212 32.217 32.500 -0.118 0.000 0.738 400 K HN -0.130 nan 8.250 nan 0.000 0.443 401 K N 0.773 120.805 120.400 -0.613 0.000 2.062 401 K HA -0.025 4.295 4.320 -0.000 0.000 0.205 401 K C 2.156 178.422 176.600 -0.557 0.000 1.051 401 K CA 0.841 56.699 56.287 -0.715 0.000 0.941 401 K CB -0.056 31.618 32.500 -1.376 0.000 0.719 401 K HN 0.234 nan 8.250 nan 0.000 0.440 402 I N -0.055 120.196 120.570 -0.532 0.000 2.339 402 I HA -0.025 4.145 4.170 -0.000 0.000 0.245 402 I C 2.169 178.062 176.117 -0.374 0.000 1.096 402 I CA 1.268 62.357 61.300 -0.352 0.000 1.408 402 I CB -1.527 36.348 38.000 -0.209 0.000 1.092 402 I HN 0.097 nan 8.210 nan 0.000 0.423 403 G N 0.155 108.654 108.800 -0.502 0.000 2.985 403 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.209 403 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.209 403 G C 0.853 175.448 174.900 -0.510 0.000 1.165 403 G CA -0.122 44.680 45.100 -0.498 0.000 0.776 403 G HN 0.396 nan 8.290 nan 0.000 0.541 404 K N 0.106 120.203 120.400 -0.505 0.000 3.016 404 K HA -0.222 4.098 4.320 -0.000 0.000 0.262 404 K C 0.412 176.658 176.600 -0.589 0.000 1.043 404 K CA 0.794 56.810 56.287 -0.452 0.000 0.761 404 K CB -1.378 30.939 32.500 -0.305 0.000 1.230 404 K HN 0.610 nan 8.250 nan 0.000 0.485 405 E N -1.904 117.684 120.200 -1.020 0.000 2.722 405 E HA -0.319 4.031 4.350 -0.000 0.000 0.265 405 E C 0.159 176.282 176.600 -0.795 0.000 1.081 405 E CA 1.492 56.955 56.400 -1.562 0.000 0.781 405 E CB -0.720 28.328 29.700 -1.087 0.000 1.372 405 E HN 0.575 nan 8.360 nan 0.000 0.423 406 K N -0.880 119.180 120.400 -0.567 0.000 2.440 406 K HA 0.200 4.520 4.320 -0.000 0.000 0.207 406 K C -0.018 176.486 176.600 -0.159 0.000 1.112 406 K CA 0.208 56.343 56.287 -0.254 0.000 1.036 406 K CB 1.031 33.409 32.500 -0.203 0.000 0.935 406 K HN 0.055 nan 8.250 nan 0.000 0.564 407 C N 2.490 121.649 119.300 -0.235 0.000 2.351 407 C HA 0.471 4.931 4.460 -0.000 0.000 0.326 407 C C -2.450 172.553 174.990 0.021 0.000 1.272 407 C CA -2.072 56.878 59.018 -0.112 0.000 1.650 407 C CB 1.226 28.854 27.740 -0.187 0.000 2.257 407 C HN 0.117 nan 8.230 nan 0.000 0.505 408 P HA 0.262 nan 4.420 nan 0.000 0.272 408 P C -0.893 176.451 177.300 0.073 0.000 1.223 408 P CA -0.116 63.065 63.100 0.135 0.000 0.784 408 P CB 0.495 32.261 31.700 0.110 0.000 0.923 409 V N 3.520 123.496 119.914 0.103 0.000 2.334 409 V HA 0.171 4.291 4.120 -0.000 0.000 0.281 409 V C 0.136 176.324 176.094 0.156 0.000 1.016 409 V CA -0.669 61.673 62.300 0.071 0.000 0.832 409 V CB 1.409 33.172 31.823 -0.099 0.000 0.999 409 V HN 0.346 nan 8.190 nan 0.000 0.439 410 V N 1.390 121.365 119.914 0.102 0.000 2.353 410 V HA 0.455 4.575 4.120 -0.000 0.000 0.264 410 V C 0.019 176.129 176.094 0.027 0.000 1.049 410 V CA -0.404 61.890 62.300 -0.009 0.000 0.896 410 V CB 1.162 32.864 31.823 -0.202 0.000 1.025 410 V HN 0.768 nan 8.190 nan 0.000 0.475 411 D N 5.288 125.719 120.400 0.053 0.000 2.441 411 D HA 0.225 4.865 4.640 -0.000 0.000 0.221 411 D C 0.583 176.881 176.300 -0.004 0.000 1.156 411 D CA -0.004 54.051 54.000 0.092 0.000 0.896 411 D CB 1.023 41.905 40.800 0.136 0.000 1.028 411 D HN 0.895 nan 8.370 nan 0.000 0.509 412 T N 1.603 116.132 114.554 -0.042 0.000 2.728 412 T HA 0.326 4.676 4.350 -0.000 0.000 0.296 412 T C -0.321 174.526 174.700 0.246 0.000 0.940 412 T CA -0.994 61.021 62.100 -0.142 0.000 1.013 412 T CB 0.310 68.716 68.868 -0.770 0.000 0.912 412 T HN 0.373 nan 8.240 nan 0.000 0.484 413 W N 8.095 129.480 121.300 0.141 0.000 2.433 413 W HA 0.667 5.327 4.660 -0.000 0.000 0.315 413 W C -1.200 175.587 176.519 0.448 0.000 1.087 413 W CA -0.371 57.108 57.345 0.224 0.000 1.205 413 W CB 0.776 30.293 29.460 0.094 0.000 1.288 413 W HN 0.885 nan 8.180 nan 0.000 0.504 414 W N 4.215 124.901 121.300 -1.024 0.000 2.743 414 W HA 0.529 5.189 4.660 -0.000 0.000 0.434 414 W C -1.902 174.185 176.519 -0.720 0.000 1.048 414 W CA -1.063 55.714 57.345 -0.947 0.000 1.170 414 W CB 0.126 29.487 29.460 -0.165 0.000 1.466 414 W HN 0.456 nan 8.180 nan 0.000 0.596 415 Q N -0.507 119.118 119.800 -0.293 0.000 2.590 415 Q HA 0.345 4.685 4.340 -0.000 0.000 0.295 415 Q C 0.456 176.448 176.000 -0.013 0.000 0.973 415 Q CA -0.720 54.910 55.803 -0.288 0.000 0.768 415 Q CB 2.672 31.352 28.738 -0.097 0.000 1.479 415 Q HN 0.348 nan 8.270 nan 0.000 0.419 416 T N 0.461 115.008 114.554 -0.012 0.000 2.737 416 T HA -0.178 4.172 4.350 -0.000 0.000 0.269 416 T C 0.934 175.859 174.700 0.375 0.000 1.040 416 T CA 2.057 64.272 62.100 0.192 0.000 1.142 416 T CB -0.074 68.889 68.868 0.158 0.000 0.861 416 T HN 0.491 nan 8.240 nan 0.000 0.456 417 E N 0.731 121.080 120.200 0.248 0.000 2.418 417 E HA -0.028 4.322 4.350 -0.000 0.000 0.197 417 E C 2.214 178.990 176.600 0.294 0.000 1.026 417 E CA 1.038 57.544 56.400 0.177 0.000 0.862 417 E CB -0.154 29.568 29.700 0.036 0.000 0.799 417 E HN 0.666 nan 8.360 nan 0.000 0.518 418 T N -4.424 110.417 114.554 0.479 0.000 3.069 418 T HA 0.346 4.696 4.350 -0.000 0.000 0.252 418 T C 1.734 176.902 174.700 0.780 0.000 1.053 418 T CA 0.344 62.863 62.100 0.698 0.000 0.964 418 T CB 0.486 69.614 68.868 0.434 0.000 1.005 418 T HN 0.201 nan 8.240 nan 0.000 0.532 419 G N 0.822 110.079 108.800 0.763 0.000 2.674 419 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.236 419 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.236 419 G C 0.545 175.699 174.900 0.425 0.000 1.178 419 G CA 0.037 45.461 45.100 0.540 0.000 0.721 419 G HN 1.419 nan 8.290 nan 0.000 0.515 420 G N -1.654 107.366 108.800 0.365 0.000 2.721 420 G HA2 0.615 4.575 3.960 -0.000 0.000 0.296 420 G HA3 0.615 4.575 3.960 -0.000 0.000 0.296 420 G C -0.272 174.467 174.900 -0.267 0.000 1.383 420 G CA -0.681 44.260 45.100 -0.266 0.000 0.788 420 G HN 0.595 nan 8.290 nan 0.000 0.500 421 F N 0.953 120.456 119.950 -0.746 0.000 2.635 421 F HA 0.019 4.546 4.527 -0.000 0.000 0.379 421 F C 1.693 177.396 175.800 -0.160 0.000 1.094 421 F CA -0.148 57.476 58.000 -0.625 0.000 1.300 421 F CB 0.540 39.069 39.000 -0.786 0.000 1.035 421 F HN 0.078 nan 8.300 nan 0.000 0.581 422 M N 3.177 122.909 119.600 0.220 0.000 2.971 422 M HA 0.308 4.788 4.480 -0.000 0.000 0.238 422 M C 0.171 176.657 176.300 0.310 0.000 1.582 422 M CA 0.793 56.236 55.300 0.239 0.000 1.223 422 M CB 0.339 33.045 32.600 0.178 0.000 1.238 422 M HN 0.336 nan 8.290 nan 0.000 0.568 423 I N 0.551 121.347 120.570 0.377 0.000 2.410 423 I HA 0.434 4.604 4.170 -0.000 0.000 0.286 423 I C -0.382 175.799 176.117 0.106 0.000 1.009 423 I CA -0.263 61.155 61.300 0.197 0.000 1.111 423 I CB 1.995 40.063 38.000 0.115 0.000 1.262 423 I HN 0.102 nan 8.210 nan 0.000 0.443 424 T N 7.033 121.573 114.554 -0.024 0.000 2.893 424 T HA 0.438 4.788 4.350 -0.000 0.000 0.337 424 T C -3.015 171.564 174.700 -0.202 0.000 1.587 424 T CA -1.005 61.009 62.100 -0.143 0.000 1.066 424 T CB 2.241 70.937 68.868 -0.286 0.000 1.414 424 T HN 0.293 nan 8.240 nan 0.000 0.488 425 P HA 0.599 nan 4.420 nan 0.000 0.280 425 P C -1.314 175.859 177.300 -0.213 0.000 1.272 425 P CA -0.675 62.276 63.100 -0.249 0.000 0.819 425 P CB 0.943 32.538 31.700 -0.175 0.000 1.122 426 L N 2.828 123.928 121.223 -0.206 0.000 2.333 426 L HA 0.363 4.703 4.340 -0.000 0.000 0.280 426 L C -1.142 175.689 176.870 -0.065 0.000 1.004 426 L CA -2.238 52.535 54.840 -0.111 0.000 0.820 426 L CB 1.351 43.358 42.059 -0.086 0.000 1.247 426 L HN 0.271 nan 8.230 nan 0.000 0.416 427 P HA -0.180 nan 4.420 nan 0.000 0.218 427 P C 0.884 178.211 177.300 0.045 0.000 1.154 427 P CA 1.694 64.811 63.100 0.029 0.000 0.872 427 P CB 0.364 32.098 31.700 0.057 0.000 0.790 428 G N -1.940 106.893 108.800 0.054 0.000 3.337 428 G HA2 0.370 4.330 3.960 -0.000 0.000 0.246 428 G HA3 0.370 4.330 3.960 -0.000 0.000 0.246 428 G C 1.176 176.105 174.900 0.048 0.000 1.131 428 G CA 0.607 45.743 45.100 0.062 0.000 0.773 428 G HN 0.443 nan 8.290 nan 0.000 0.544 429 A N -0.153 122.673 122.820 0.010 0.000 2.141 429 A HA 0.592 4.912 4.320 -0.000 0.000 0.201 429 A C 0.461 177.996 177.584 -0.082 0.000 1.344 429 A CA 0.172 52.203 52.037 -0.011 0.000 0.971 429 A CB 0.547 19.547 19.000 -0.000 0.000 1.035 429 A HN 0.211 nan 8.150 nan 0.000 0.480 430 I N 1.304 121.800 120.570 -0.123 0.000 2.436 430 I HA 0.252 4.422 4.170 -0.000 0.000 0.289 430 I C -0.723 175.389 176.117 -0.009 0.000 1.010 430 I CA -0.529 60.690 61.300 -0.135 0.000 1.098 430 I CB 2.013 39.816 38.000 -0.328 0.000 1.266 430 I HN 0.188 nan 8.210 nan 0.000 0.434 431 E N 5.975 126.221 120.200 0.077 0.000 2.373 431 E HA 0.340 4.690 4.350 -0.000 0.000 0.267 431 E C -0.929 175.777 176.600 0.176 0.000 1.032 431 E CA -0.371 56.100 56.400 0.119 0.000 0.889 431 E CB 1.209 30.968 29.700 0.099 0.000 0.984 431 E HN 0.386 nan 8.360 nan 0.000 0.425 432 L N 2.625 123.938 121.223 0.151 0.000 2.357 432 L HA 0.399 4.739 4.340 -0.000 0.000 0.273 432 L C 0.215 177.088 176.870 0.005 0.000 1.080 432 L CA -0.484 54.432 54.840 0.127 0.000 0.803 432 L CB 0.637 42.814 42.059 0.196 0.000 1.174 432 L HN 0.271 nan 8.230 nan 0.000 0.443 433 K N 1.990 122.322 120.400 -0.112 0.000 2.413 433 K HA 0.533 4.853 4.320 -0.000 0.000 0.257 433 K C -0.600 175.681 176.600 -0.532 0.000 0.946 433 K CA -0.691 55.451 56.287 -0.242 0.000 0.823 433 K CB 2.152 34.566 32.500 -0.143 0.000 1.109 433 K HN 0.705 nan 8.250 nan 0.000 0.427 434 A N 1.765 124.079 122.820 -0.843 0.000 2.553 434 A HA 0.343 4.663 4.320 -0.000 0.000 0.258 434 A C 1.234 178.545 177.584 -0.455 0.000 1.069 434 A CA 1.298 52.527 52.037 -1.346 0.000 0.767 434 A CB -0.805 17.546 19.000 -1.082 0.000 0.997 434 A HN 1.031 nan 8.150 nan 0.000 0.512 435 G N 1.227 109.815 108.800 -0.352 0.000 2.176 435 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.232 435 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.232 435 G C 0.472 175.268 174.900 -0.174 0.000 0.986 435 G CA 0.505 45.614 45.100 0.014 0.000 0.643 435 G HN 1.800 nan 8.290 nan 0.000 0.522 436 S N -0.052 115.276 115.700 -0.620 0.000 2.451 436 S HA 0.739 5.209 4.470 -0.000 0.000 0.301 436 S C 1.353 175.705 174.600 -0.414 0.000 1.116 436 S CA 0.634 58.263 58.200 -0.951 0.000 1.093 436 S CB 1.455 63.621 63.200 -1.724 0.000 1.017 436 S HN 1.516 nan 8.310 nan 0.000 0.482 437 A N 3.750 126.398 122.820 -0.287 0.000 2.168 437 A HA 0.243 4.563 4.320 -0.000 0.000 0.215 437 A C 1.492 178.950 177.584 -0.209 0.000 1.152 437 A CA 1.575 53.536 52.037 -0.126 0.000 0.716 437 A CB -1.439 17.568 19.000 0.011 0.000 0.794 437 A HN 1.988 nan 8.150 nan 0.000 0.465 438 T N -2.437 111.915 114.554 -0.337 0.000 14.129 438 T HA -0.290 4.060 4.350 -0.000 0.000 0.419 438 T C 0.271 174.723 174.700 -0.412 0.000 1.441 438 T CA 1.339 63.094 62.100 -0.574 0.000 2.333 438 T CB -1.103 67.329 68.868 -0.728 0.000 2.760 438 T HN 0.759 nan 8.240 nan 0.000 0.274 439 R N 2.848 123.075 120.500 -0.454 0.000 2.720 439 R HA 0.669 5.009 4.340 -0.000 0.000 0.272 439 R C -2.382 173.844 176.300 -0.124 0.000 0.991 439 R CA -2.112 53.836 56.100 -0.252 0.000 1.010 439 R CB 1.217 31.296 30.300 -0.368 0.000 1.141 439 R HN 0.592 nan 8.270 nan 0.000 0.494 440 P HA -0.063 nan 4.420 nan 0.000 0.271 440 P C -0.785 176.639 177.300 0.208 0.000 1.218 440 P CA 0.019 63.162 63.100 0.073 0.000 0.780 440 P CB 0.524 32.287 31.700 0.106 0.000 0.901 441 F N 2.385 122.422 119.950 0.144 0.000 2.399 441 F HA 0.302 4.829 4.527 -0.000 0.000 0.313 441 F C 0.492 176.503 175.800 0.352 0.000 1.202 441 F CA -0.572 57.494 58.000 0.110 0.000 1.192 441 F CB 0.059 39.122 39.000 0.106 0.000 1.256 441 F HN 0.187 nan 8.300 nan 0.000 0.558 442 F N 2.121 121.795 119.950 -0.460 0.000 2.623 442 F HA 0.246 4.773 4.527 -0.000 0.000 0.383 442 F C 1.461 177.396 175.800 0.224 0.000 1.077 442 F CA 0.615 58.415 58.000 -0.333 0.000 1.268 442 F CB -0.187 38.384 39.000 -0.714 0.000 1.053 442 F HN 0.733 nan 8.300 nan 0.000 0.571 443 G N 1.874 110.808 108.800 0.224 0.000 2.179 443 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.260 443 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.260 443 G C -0.380 174.800 174.900 0.466 0.000 0.977 443 G CA -0.045 45.368 45.100 0.522 0.000 0.641 443 G HN 0.568 nan 8.290 nan 0.000 0.533 444 V N 1.289 121.452 119.914 0.414 0.000 2.370 444 V HA 0.493 4.613 4.120 -0.000 0.000 0.283 444 V C 0.229 176.523 176.094 0.334 0.000 1.023 444 V CA -0.339 62.156 62.300 0.325 0.000 0.857 444 V CB 1.614 33.599 31.823 0.271 0.000 0.985 444 V HN 0.370 nan 8.190 nan 0.000 0.443 445 Q N 6.803 126.773 119.800 0.282 0.000 2.506 445 Q HA 0.332 4.672 4.340 -0.000 0.000 0.242 445 Q C -2.526 173.608 176.000 0.224 0.000 1.060 445 Q CA -1.653 54.314 55.803 0.273 0.000 0.826 445 Q CB 2.135 31.020 28.738 0.245 0.000 1.169 445 Q HN 0.526 nan 8.270 nan 0.000 0.521 446 P HA 0.452 nan 4.420 nan 0.000 0.279 446 P C -1.077 176.305 177.300 0.137 0.000 1.252 446 P CA -0.227 62.900 63.100 0.045 0.000 0.811 446 P CB 1.566 33.083 31.700 -0.305 0.000 1.035 447 A N 1.569 124.469 122.820 0.132 0.000 2.612 447 A HA 0.675 4.995 4.320 -0.000 0.000 0.293 447 A C -1.557 176.094 177.584 0.113 0.000 1.075 447 A CA -0.709 51.421 52.037 0.155 0.000 0.680 447 A CB 0.993 20.067 19.000 0.123 0.000 1.279 447 A HN 0.419 nan 8.150 nan 0.000 0.411 448 L N 1.654 122.930 121.223 0.089 0.000 2.325 448 L HA 0.691 5.031 4.340 -0.000 0.000 0.281 448 L C -0.394 176.433 176.870 -0.072 0.000 1.004 448 L CA -1.052 53.802 54.840 0.023 0.000 0.823 448 L CB 1.641 43.737 42.059 0.063 0.000 1.236 448 L HN 0.705 nan 8.230 nan 0.000 0.415 449 V N -1.218 118.567 119.914 -0.216 0.000 2.769 449 V HA 0.622 4.742 4.120 -0.000 0.000 0.312 449 V C -0.472 175.430 176.094 -0.320 0.000 1.061 449 V CA -0.896 61.211 62.300 -0.322 0.000 0.931 449 V CB 1.883 33.333 31.823 -0.621 0.000 1.010 449 V HN 0.755 nan 8.190 nan 0.000 0.433 450 D N 2.157 122.442 120.400 -0.192 0.000 2.398 450 D HA 0.134 4.774 4.640 -0.000 0.000 0.264 450 D C 0.686 176.921 176.300 -0.109 0.000 1.263 450 D CA -0.394 53.545 54.000 -0.101 0.000 1.037 450 D CB 0.075 40.872 40.800 -0.004 0.000 1.101 450 D HN 0.417 nan 8.370 nan 0.000 0.551 451 N N -0.860 117.846 118.700 0.009 0.000 2.550 451 N HA -0.072 4.668 4.740 -0.000 0.000 0.186 451 N C 0.481 176.058 175.510 0.112 0.000 1.110 451 N CA 0.465 53.578 53.050 0.105 0.000 0.912 451 N CB -0.014 38.510 38.487 0.062 0.000 0.968 451 N HN 0.423 nan 8.380 nan 0.000 0.448 452 E N -0.851 119.339 120.200 -0.018 0.000 2.474 452 E HA 0.231 4.581 4.350 -0.000 0.000 0.195 452 E C 1.081 177.492 176.600 -0.315 0.000 1.039 452 E CA 0.109 56.408 56.400 -0.167 0.000 0.881 452 E CB 0.106 29.657 29.700 -0.249 0.000 0.970 452 E HN 0.284 nan 8.360 nan 0.000 0.486 453 G N 0.791 109.474 108.800 -0.196 0.000 2.176 453 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.253 453 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.253 453 G C -0.211 174.525 174.900 -0.272 0.000 0.979 453 G CA -0.116 44.841 45.100 -0.239 0.000 0.641 453 G HN 0.309 nan 8.290 nan 0.000 0.530 454 H N 1.683 120.711 119.070 -0.069 0.000 2.690 454 H HA 0.322 4.878 4.556 -0.000 0.000 0.314 454 H C -2.049 173.234 175.328 -0.076 0.000 1.069 454 H CA -1.425 54.595 56.048 -0.047 0.000 1.436 454 H CB 0.955 30.704 29.762 -0.022 0.000 1.462 454 H HN 0.243 nan 8.280 nan 0.000 0.511 455 P HA -0.025 nan 4.420 nan 0.000 0.268 455 P C -0.318 177.000 177.300 0.030 0.000 1.204 455 P CA -0.187 62.927 63.100 0.024 0.000 0.768 455 P CB 0.964 32.692 31.700 0.047 0.000 0.842 456 Q N 2.366 122.173 119.800 0.012 0.000 2.290 456 Q HA 0.312 4.652 4.340 -0.000 0.000 0.259 456 Q C 0.312 176.321 176.000 0.014 0.000 0.941 456 Q CA -0.421 55.388 55.803 0.010 0.000 0.912 456 Q CB 1.617 30.353 28.738 -0.003 0.000 1.244 456 Q HN 0.449 nan 8.270 nan 0.000 0.441 457 E N 0.498 120.704 120.200 0.011 0.000 2.232 457 E HA 0.654 5.004 4.350 -0.000 0.000 0.265 457 E C 0.591 177.189 176.600 -0.003 0.000 1.001 457 E CA -0.347 56.060 56.400 0.011 0.000 0.870 457 E CB 1.083 30.792 29.700 0.015 0.000 1.175 457 E HN 0.728 nan 8.360 nan 0.000 0.407 458 G N 0.741 109.538 108.800 -0.005 0.000 2.645 458 G HA2 -0.154 3.805 3.960 -0.000 0.000 0.246 458 G HA3 -0.154 3.805 3.960 -0.000 0.000 0.246 458 G C -0.125 174.753 174.900 -0.037 0.000 1.322 458 G CA -0.270 44.819 45.100 -0.018 0.000 0.898 458 G HN 0.776 nan 8.290 nan 0.000 0.573 459 A N -0.083 122.712 122.820 -0.042 0.000 2.476 459 A HA 0.656 4.976 4.320 -0.000 0.000 0.275 459 A C 0.819 178.371 177.584 -0.053 0.000 1.133 459 A CA 2.069 54.072 52.037 -0.056 0.000 0.797 459 A CB -0.023 18.942 19.000 -0.058 0.000 1.081 459 A HN 2.235 nan 8.150 nan 0.000 0.510 460 T N 0.859 115.379 114.554 -0.056 0.000 2.630 460 T HA 0.601 4.951 4.350 -0.000 0.000 0.300 460 T C -2.021 172.658 174.700 -0.035 0.000 1.261 460 T CA 0.004 62.079 62.100 -0.042 0.000 1.060 460 T CB 1.079 69.931 68.868 -0.027 0.000 1.670 460 T HN 0.929 nan 8.240 nan 0.000 0.473 461 E N 0.010 120.198 120.200 -0.019 0.000 2.412 461 E HA 0.659 5.009 4.350 -0.000 0.000 0.279 461 E C -0.345 176.257 176.600 0.003 0.000 0.984 461 E CA -0.712 55.687 56.400 -0.002 0.000 0.788 461 E CB 1.405 31.101 29.700 -0.006 0.000 1.277 461 E HN 1.156 nan 8.360 nan 0.000 0.455 462 G N 0.902 109.711 108.800 0.016 0.000 2.356 462 G HA2 0.143 4.103 3.960 -0.000 0.000 0.281 462 G HA3 0.143 4.103 3.960 -0.000 0.000 0.281 462 G C -1.381 173.533 174.900 0.023 0.000 1.246 462 G CA -0.940 44.160 45.100 0.000 0.000 0.889 462 G HN 0.394 nan 8.290 nan 0.000 0.486 463 N N 0.695 119.380 118.700 -0.025 0.000 2.470 463 N HA 0.288 5.028 4.740 -0.000 0.000 0.268 463 N C -0.551 175.004 175.510 0.075 0.000 1.136 463 N CA -0.250 52.843 53.050 0.071 0.000 0.961 463 N CB 2.052 40.477 38.487 -0.103 0.000 1.067 463 N HN 0.413 nan 8.380 nan 0.000 0.468 464 L N 4.367 125.710 121.223 0.200 0.000 2.315 464 L HA 0.238 4.578 4.340 -0.000 0.000 0.283 464 L C -0.224 176.792 176.870 0.244 0.000 1.089 464 L CA -0.297 54.611 54.840 0.113 0.000 0.833 464 L CB 0.332 42.347 42.059 -0.073 0.000 1.170 464 L HN 0.325 nan 8.230 nan 0.000 0.442 465 V N 3.561 123.584 119.914 0.182 0.000 3.074 465 V HA 0.677 4.797 4.120 -0.000 0.000 0.314 465 V C -0.541 175.730 176.094 0.294 0.000 1.117 465 V CA -0.906 61.559 62.300 0.275 0.000 1.014 465 V CB 2.280 34.219 31.823 0.193 0.000 1.057 465 V HN 0.500 nan 8.190 nan 0.000 0.438 466 I N 2.476 123.319 120.570 0.455 0.000 2.418 466 I HA 0.361 4.531 4.170 -0.000 0.000 0.287 466 I C 1.281 177.759 176.117 0.601 0.000 1.008 466 I CA 0.077 61.665 61.300 0.480 0.000 1.104 466 I CB 1.569 39.882 38.000 0.523 0.000 1.264 466 I HN 1.005 nan 8.210 nan 0.000 0.438 467 T N 0.076 114.909 114.554 0.465 0.000 3.148 467 T HA 0.105 4.455 4.350 -0.000 0.000 0.253 467 T C 0.414 175.369 174.700 0.425 0.000 1.134 467 T CA 0.366 62.735 62.100 0.448 0.000 1.051 467 T CB 0.284 69.323 68.868 0.284 0.000 0.959 467 T HN 0.554 nan 8.240 nan 0.000 0.525 468 D N -0.319 120.365 120.400 0.473 0.000 2.615 468 D HA 0.409 5.049 4.640 -0.000 0.000 0.267 468 D C -1.189 175.368 176.300 0.428 0.000 1.236 468 D CA -0.502 53.589 54.000 0.151 0.000 0.839 468 D CB 2.252 43.132 40.800 0.134 0.000 1.380 468 D HN 0.062 nan 8.370 nan 0.000 0.433 469 S N -0.180 115.600 115.700 0.134 0.000 2.624 469 S HA 0.705 5.175 4.470 -0.000 0.000 0.263 469 S C -0.991 173.992 174.600 0.639 0.000 1.287 469 S CA -0.442 58.002 58.200 0.407 0.000 0.990 469 S CB 0.328 63.656 63.200 0.214 0.000 0.950 469 S HN 0.353 nan 8.310 nan 0.000 0.561 470 W N 0.864 122.259 121.300 0.158 0.000 3.107 470 W HA 0.535 5.195 4.660 -0.000 0.000 0.331 470 W C -2.886 172.940 176.519 -1.156 0.000 1.204 470 W CA -2.003 55.090 57.345 -0.420 0.000 1.184 470 W CB -0.014 29.225 29.460 -0.369 0.000 1.421 470 W HN 0.352 nan 8.180 nan 0.000 0.544 471 P HA -0.126 nan 4.420 nan 0.000 0.217 471 P C 1.617 178.315 177.300 -1.004 0.000 1.151 471 P CA 2.994 64.879 63.100 -2.026 0.000 0.849 471 P CB 0.052 30.811 31.700 -1.569 0.000 0.787 472 G N -1.259 107.030 108.800 -0.852 0.000 2.985 472 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.209 472 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.209 472 G C 0.479 175.298 174.900 -0.136 0.000 1.165 472 G CA -0.165 44.773 45.100 -0.271 0.000 0.776 472 G HN 0.294 nan 8.290 nan 0.000 0.541 473 Q N 0.895 120.223 119.800 -0.787 0.000 2.315 473 Q HA 0.419 4.759 4.340 -0.000 0.000 0.289 473 Q C 0.559 176.399 176.000 -0.266 0.000 1.044 473 Q CA -0.438 54.912 55.803 -0.753 0.000 0.920 473 Q CB 0.594 28.419 28.738 -1.521 0.000 1.214 473 Q HN 0.221 nan 8.270 nan 0.000 0.392 474 A N 4.284 126.965 122.820 -0.231 0.000 2.531 474 A HA 0.018 4.338 4.320 -0.000 0.000 0.236 474 A C 0.495 177.899 177.584 -0.301 0.000 1.062 474 A CA -0.197 51.522 52.037 -0.531 0.000 0.760 474 A CB 0.397 19.110 19.000 -0.480 0.000 0.995 474 A HN 0.908 nan 8.150 nan 0.000 0.501 475 R N 0.265 120.517 120.500 -0.414 0.000 2.189 475 R HA 0.152 4.492 4.340 -0.000 0.000 0.203 475 R C 0.672 176.488 176.300 -0.808 0.000 1.012 475 R CA 1.211 57.093 56.100 -0.364 0.000 1.015 475 R CB -0.462 29.694 30.300 -0.239 0.000 0.938 475 R HN 0.845 nan 8.270 nan 0.000 0.472 476 T N -1.095 112.808 114.554 -1.084 0.000 2.654 476 T HA 0.421 4.771 4.350 -0.000 0.000 0.303 476 T C -1.899 172.408 174.700 -0.655 0.000 1.656 476 T CA -0.655 60.638 62.100 -1.344 0.000 0.971 476 T CB 0.446 69.065 68.868 -0.415 0.000 1.811 476 T HN -0.061 nan 8.240 nan 0.000 0.483 477 L N 2.342 123.424 121.223 -0.235 0.000 2.313 477 L HA 0.573 4.913 4.340 -0.000 0.000 0.283 477 L C -0.273 176.624 176.870 0.044 0.000 1.013 477 L CA -0.966 53.893 54.840 0.032 0.000 0.816 477 L CB 1.315 43.504 42.059 0.217 0.000 1.236 477 L HN 0.700 nan 8.230 nan 0.000 0.419 478 F N 3.136 123.040 119.950 -0.077 0.000 2.604 478 F HA 0.140 4.667 4.527 -0.000 0.000 0.393 478 F C 1.427 177.243 175.800 0.027 0.000 1.043 478 F CA 1.454 59.429 58.000 -0.040 0.000 1.227 478 F CB 0.457 39.431 39.000 -0.044 0.000 1.016 478 F HN 0.779 nan 8.300 nan 0.000 0.556 479 G N 3.784 112.209 108.800 -0.625 0.000 2.175 479 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.265 479 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.265 479 G C -0.019 174.820 174.900 -0.102 0.000 0.979 479 G CA 0.488 45.354 45.100 -0.389 0.000 0.663 479 G HN 0.835 nan 8.290 nan 0.000 0.533 480 D N -1.602 118.787 120.400 -0.018 0.000 2.823 480 D HA 0.277 4.917 4.640 -0.000 0.000 0.255 480 D C 0.789 177.169 176.300 0.133 0.000 1.257 480 D CA -0.518 53.522 54.000 0.066 0.000 0.803 480 D CB -0.046 40.811 40.800 0.094 0.000 1.384 480 D HN 0.215 nan 8.370 nan 0.000 0.541 481 H N 1.319 120.411 119.070 0.037 0.000 2.423 481 H HA 0.033 4.589 4.556 -0.000 0.000 0.297 481 H C 1.368 176.813 175.328 0.195 0.000 1.075 481 H CA 1.916 58.029 56.048 0.109 0.000 1.342 481 H CB 0.675 30.458 29.762 0.034 0.000 1.395 481 H HN 0.338 nan 8.280 nan 0.000 0.530 482 E N -0.029 120.248 120.200 0.128 0.000 2.077 482 E HA -0.224 4.126 4.350 -0.000 0.000 0.193 482 E C 2.300 178.933 176.600 0.056 0.000 0.989 482 E CA 1.045 57.487 56.400 0.071 0.000 0.800 482 E CB -0.052 29.690 29.700 0.069 0.000 0.746 482 E HN 0.387 nan 8.360 nan 0.000 0.452 483 R N 0.245 120.797 120.500 0.086 0.000 2.120 483 R HA -0.160 4.180 4.340 -0.000 0.000 0.234 483 R C 2.133 178.510 176.300 0.127 0.000 1.123 483 R CA 1.007 57.156 56.100 0.080 0.000 0.975 483 R CB -0.287 30.069 30.300 0.094 0.000 0.866 483 R HN 0.138 nan 8.270 nan 0.000 0.446 484 F N 1.790 121.760 119.950 0.032 0.000 2.075 484 F HA -0.154 4.373 4.527 -0.000 0.000 0.297 484 F C 1.687 177.626 175.800 0.232 0.000 1.113 484 F CA 2.013 60.111 58.000 0.164 0.000 1.218 484 F CB -0.234 38.772 39.000 0.009 0.000 0.984 484 F HN 0.090 nan 8.300 nan 0.000 0.472 485 E N -0.331 119.865 120.200 -0.006 0.000 2.051 485 E HA -0.305 4.045 4.350 -0.000 0.000 0.192 485 E C 2.209 178.847 176.600 0.064 0.000 0.991 485 E CA 1.462 57.852 56.400 -0.016 0.000 0.799 485 E CB -0.446 29.210 29.700 -0.074 0.000 0.748 485 E HN 0.609 nan 8.360 nan 0.000 0.449 486 Q N 0.564 120.365 119.800 0.001 0.000 2.046 486 Q HA -0.146 4.194 4.340 -0.000 0.000 0.200 486 Q C 2.071 177.995 176.000 -0.126 0.000 0.975 486 Q CA 1.924 57.704 55.803 -0.039 0.000 0.836 486 Q CB 0.001 28.715 28.738 -0.038 0.000 0.896 486 Q HN 0.149 nan 8.270 nan 0.000 0.428 487 T N -0.097 114.323 114.554 -0.223 0.000 2.684 487 T HA -0.176 4.173 4.350 -0.000 0.000 0.267 487 T C 1.047 175.351 174.700 -0.659 0.000 1.036 487 T CA 1.822 63.628 62.100 -0.491 0.000 1.148 487 T CB -0.295 68.118 68.868 -0.759 0.000 0.863 487 T HN 0.455 nan 8.240 nan 0.000 0.436 488 Y N -1.381 118.724 120.300 -0.325 0.000 2.481 488 Y HA 0.367 4.917 4.550 -0.000 0.000 0.258 488 Y C 1.071 176.454 175.900 -0.861 0.000 1.103 488 Y CA -0.273 57.412 58.100 -0.691 0.000 1.287 488 Y CB 0.343 38.209 38.460 -0.989 0.000 1.108 488 Y HN 0.162 nan 8.280 nan 0.000 0.529 489 F N -1.720 118.160 119.950 -0.118 0.000 2.772 489 F HA 0.209 4.736 4.527 -0.000 0.000 0.316 489 F C 1.677 177.437 175.800 -0.067 0.000 1.114 489 F CA -0.112 57.835 58.000 -0.088 0.000 1.191 489 F CB 0.219 39.140 39.000 -0.132 0.000 1.065 489 F HN -0.053 nan 8.300 nan 0.000 0.534 490 S N -2.166 113.544 115.700 0.017 0.000 2.497 490 S HA -0.007 4.463 4.470 -0.000 0.000 0.218 490 S C 1.651 176.162 174.600 -0.149 0.000 1.023 490 S CA 0.680 58.860 58.200 -0.033 0.000 0.913 490 S CB -0.464 62.709 63.200 -0.045 0.000 0.800 490 S HN 0.144 nan 8.310 nan 0.000 0.505 491 T N 1.601 115.979 114.554 -0.295 0.000 2.770 491 T HA 0.212 4.562 4.350 -0.000 0.000 0.263 491 T C -0.154 174.045 174.700 -0.835 0.000 1.039 491 T CA 0.890 62.585 62.100 -0.676 0.000 1.142 491 T CB -0.366 67.884 68.868 -1.030 0.000 0.868 491 T HN 0.504 nan 8.240 nan 0.000 0.435 492 F N 1.860 121.734 119.950 -0.127 0.000 2.513 492 F HA 0.379 4.906 4.527 -0.000 0.000 0.358 492 F C -0.058 175.753 175.800 0.018 0.000 1.118 492 F CA -1.540 56.401 58.000 -0.098 0.000 1.037 492 F CB 0.975 39.878 39.000 -0.162 0.000 1.276 492 F HN -0.405 nan 8.300 nan 0.000 0.446 493 K N 3.503 124.006 120.400 0.171 0.000 2.530 493 K HA -0.081 4.239 4.320 -0.000 0.000 0.280 493 K C 0.605 177.348 176.600 0.239 0.000 1.004 493 K CA 0.471 56.862 56.287 0.172 0.000 1.071 493 K CB 0.012 32.585 32.500 0.122 0.000 0.876 493 K HN 0.739 nan 8.250 nan 0.000 0.487 494 N N 0.355 119.230 118.700 0.293 0.000 2.782 494 N HA -0.215 4.524 4.740 -0.000 0.000 0.251 494 N C -0.557 175.287 175.510 0.555 0.000 1.101 494 N CA 1.179 54.463 53.050 0.389 0.000 0.764 494 N CB -1.031 37.616 38.487 0.267 0.000 1.122 494 N HN 0.568 nan 8.380 nan 0.000 0.561 495 M N -0.360 119.552 119.600 0.520 0.000 2.550 495 M HA 0.284 4.764 4.480 -0.000 0.000 0.292 495 M C -0.592 175.902 176.300 0.323 0.000 1.221 495 M CA -0.814 54.806 55.300 0.532 0.000 0.873 495 M CB 2.308 35.132 32.600 0.373 0.000 1.727 495 M HN 0.054 nan 8.290 nan 0.000 0.459 496 Y N 2.332 122.706 120.300 0.124 0.000 2.383 496 Y HA 0.444 4.994 4.550 -0.000 0.000 0.344 496 Y C -1.490 174.470 175.900 0.099 0.000 0.986 496 Y CA -0.731 57.187 58.100 -0.303 0.000 1.175 496 Y CB 0.435 38.843 38.460 -0.088 0.000 1.152 496 Y HN 0.489 nan 8.280 nan 0.000 0.511 497 F N 6.299 125.808 119.950 -0.735 0.000 2.391 497 F HA 0.268 4.795 4.527 -0.000 0.000 0.359 497 F C 1.161 176.605 175.800 -0.593 0.000 1.122 497 F CA -1.103 56.670 58.000 -0.379 0.000 1.120 497 F CB 1.042 39.972 39.000 -0.117 0.000 1.142 497 F HN 0.615 nan 8.300 nan 0.000 0.483 498 S N 3.468 118.933 115.700 -0.393 0.000 2.453 498 S HA 0.146 4.616 4.470 -0.000 0.000 0.231 498 S C 1.670 175.993 174.600 -0.462 0.000 1.005 498 S CA 0.605 58.665 58.200 -0.233 0.000 0.949 498 S CB -0.637 62.776 63.200 0.355 0.000 0.774 498 S HN 1.757 nan 8.310 nan 0.000 0.510 499 G N 0.552 108.591 108.800 -1.268 0.000 2.176 499 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.253 499 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.253 499 G C -0.353 174.365 174.900 -0.304 0.000 0.979 499 G CA 0.241 44.759 45.100 -0.970 0.000 0.641 499 G HN 0.560 nan 8.290 nan 0.000 0.530 500 D N 0.193 120.530 120.400 -0.106 0.000 2.272 500 D HA 0.614 5.254 4.640 -0.000 0.000 0.247 500 D C 0.634 177.009 176.300 0.126 0.000 0.990 500 D CA 0.691 54.733 54.000 0.070 0.000 0.931 500 D CB 1.525 42.406 40.800 0.135 0.000 1.195 500 D HN 0.402 nan 8.370 nan 0.000 0.477 501 G N -0.841 108.016 108.800 0.095 0.000 2.454 501 G HA2 0.712 4.672 3.960 -0.000 0.000 0.329 501 G HA3 0.712 4.672 3.960 -0.000 0.000 0.329 501 G C -1.262 173.663 174.900 0.042 0.000 1.177 501 G CA -0.465 44.693 45.100 0.097 0.000 0.951 501 G HN 0.551 nan 8.290 nan 0.000 0.485 502 A N 0.839 123.690 122.820 0.052 0.000 2.601 502 A HA 0.879 5.199 4.320 -0.000 0.000 0.291 502 A C -0.600 177.041 177.584 0.095 0.000 1.075 502 A CA -0.874 51.204 52.037 0.068 0.000 0.671 502 A CB 1.504 20.525 19.000 0.034 0.000 1.277 502 A HN 1.267 nan 8.150 nan 0.000 0.417 503 R N 0.313 120.891 120.500 0.130 0.000 2.803 503 R HA 0.874 5.214 4.340 -0.000 0.000 0.276 503 R C -0.598 175.757 176.300 0.091 0.000 0.978 503 R CA -0.831 55.314 56.100 0.074 0.000 0.939 503 R CB 1.890 32.196 30.300 0.010 0.000 1.179 503 R HN 0.727 nan 8.270 nan 0.000 0.472 504 R N 1.490 121.958 120.500 -0.053 0.000 2.561 504 R HA 0.194 4.534 4.340 -0.000 0.000 0.297 504 R C -1.107 175.155 176.300 -0.063 0.000 0.969 504 R CA -0.603 55.375 56.100 -0.204 0.000 0.879 504 R CB 1.333 31.308 30.300 -0.542 0.000 1.178 504 R HN 0.938 nan 8.270 nan 0.000 0.445 505 D N 2.794 123.227 120.400 0.055 0.000 2.478 505 D HA 0.135 4.775 4.640 -0.000 0.000 0.274 505 D C 1.141 177.434 176.300 -0.011 0.000 1.234 505 D CA 0.068 54.078 54.000 0.017 0.000 1.069 505 D CB 0.179 41.027 40.800 0.079 0.000 1.113 505 D HN 0.545 nan 8.370 nan 0.000 0.571 506 E N -0.549 119.633 120.200 -0.029 0.000 2.209 506 E HA -0.172 4.178 4.350 -0.000 0.000 0.196 506 E C 1.244 177.840 176.600 -0.007 0.000 0.993 506 E CA 1.673 58.056 56.400 -0.029 0.000 0.819 506 E CB -0.873 28.800 29.700 -0.044 0.000 0.745 506 E HN 0.534 nan 8.360 nan 0.000 0.477 507 D N -1.348 119.056 120.400 0.006 0.000 2.340 507 D HA 0.210 4.850 4.640 -0.000 0.000 0.220 507 D C 1.349 177.754 176.300 0.175 0.000 1.039 507 D CA 0.922 54.956 54.000 0.057 0.000 0.866 507 D CB 0.637 41.404 40.800 -0.056 0.000 0.913 507 D HN 0.593 nan 8.370 nan 0.000 0.523 508 G N 0.562 109.426 108.800 0.107 0.000 2.157 508 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.248 508 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.248 508 G C -0.043 174.873 174.900 0.027 0.000 0.979 508 G CA -0.345 44.775 45.100 0.033 0.000 0.650 508 G HN 0.221 nan 8.290 nan 0.000 0.529 509 Y N 0.115 120.351 120.300 -0.107 0.000 2.359 509 Y HA 0.557 5.106 4.550 -0.000 0.000 0.330 509 Y C 0.837 176.616 175.900 -0.202 0.000 1.143 509 Y CA -0.766 57.258 58.100 -0.127 0.000 1.318 509 Y CB 0.305 38.689 38.460 -0.128 0.000 1.234 509 Y HN 0.198 nan 8.280 nan 0.000 0.522 510 Y N 0.996 121.231 120.300 -0.109 0.000 2.352 510 Y HA 0.317 4.867 4.550 -0.000 0.000 0.326 510 Y C -0.979 174.760 175.900 -0.270 0.000 1.166 510 Y CA -0.809 57.243 58.100 -0.079 0.000 1.182 510 Y CB 0.955 39.333 38.460 -0.136 0.000 1.216 510 Y HN 0.517 nan 8.280 nan 0.000 0.474 511 W N 4.422 125.768 121.300 0.076 0.000 2.463 511 W HA 0.456 5.116 4.660 -0.000 0.000 0.316 511 W C -1.373 175.143 176.519 -0.005 0.000 1.004 511 W CA -0.753 56.608 57.345 0.028 0.000 1.309 511 W CB 0.709 30.167 29.460 -0.003 0.000 1.288 511 W HN 0.140 nan 8.180 nan 0.000 0.423 512 I N 3.439 124.073 120.570 0.106 0.000 2.517 512 I HA 0.027 4.197 4.170 -0.000 0.000 0.285 512 I C 1.488 177.661 176.117 0.093 0.000 1.106 512 I CA 0.281 61.586 61.300 0.007 0.000 1.402 512 I CB 0.149 38.105 38.000 -0.073 0.000 1.399 512 I HN 0.570 nan 8.210 nan 0.000 0.535 513 T N 1.651 116.251 114.554 0.076 0.000 3.086 513 T HA 0.460 4.810 4.350 -0.000 0.000 0.250 513 T C 0.776 175.518 174.700 0.070 0.000 1.074 513 T CA 0.162 62.310 62.100 0.080 0.000 0.988 513 T CB 0.230 69.137 68.868 0.065 0.000 0.988 513 T HN 1.060 nan 8.240 nan 0.000 0.530 514 G N 1.435 110.279 108.800 0.074 0.000 2.479 514 G HA2 0.040 4.000 3.960 -0.000 0.000 0.686 514 G HA3 0.040 4.000 3.960 -0.000 0.000 0.686 514 G C -1.260 173.684 174.900 0.074 0.000 1.295 514 G CA -1.360 43.786 45.100 0.077 0.000 0.922 514 G HN 0.398 nan 8.290 nan 0.000 0.582 515 R N -0.170 120.369 120.500 0.064 0.000 2.570 515 R HA 0.290 4.630 4.340 -0.000 0.000 0.277 515 R C 1.624 177.956 176.300 0.054 0.000 1.039 515 R CA 0.464 56.593 56.100 0.047 0.000 1.065 515 R CB 0.769 31.084 30.300 0.026 0.000 0.964 515 R HN 1.352 nan 8.270 nan 0.000 0.428 516 V N -1.924 118.032 119.914 0.069 0.000 3.578 516 V HA 0.067 4.187 4.120 -0.000 0.000 0.290 516 V C 0.460 176.608 176.094 0.090 0.000 1.376 516 V CA -0.019 62.343 62.300 0.104 0.000 1.083 516 V CB -0.288 31.648 31.823 0.188 0.000 0.911 516 V HN 0.630 nan 8.190 nan 0.000 0.433 517 D N -0.339 120.087 120.400 0.043 0.000 2.567 517 D HA 0.216 4.856 4.640 -0.000 0.000 0.275 517 D C -0.306 176.001 176.300 0.011 0.000 1.195 517 D CA -0.801 53.212 54.000 0.022 0.000 1.087 517 D CB 0.140 40.922 40.800 -0.030 0.000 1.165 517 D HN 0.061 nan 8.370 nan 0.000 0.609 518 D N -0.363 120.038 120.400 0.002 0.000 3.085 518 D HA 0.200 4.840 4.640 -0.000 0.000 0.243 518 D C -0.522 175.781 176.300 0.005 0.000 1.232 518 D CA -0.044 53.960 54.000 0.007 0.000 0.913 518 D CB 0.116 40.920 40.800 0.007 0.000 1.108 518 D HN 0.033 nan 8.370 nan 0.000 0.468 519 V N 1.525 121.441 119.914 0.003 0.000 2.495 519 V HA 0.347 4.467 4.120 -0.000 0.000 0.298 519 V C 0.431 176.530 176.094 0.008 0.000 1.031 519 V CA -0.789 61.513 62.300 0.003 0.000 0.871 519 V CB 2.264 34.084 31.823 -0.006 0.000 0.988 519 V HN 0.091 nan 8.190 nan 0.000 0.432 520 L N 3.419 124.646 121.223 0.007 0.000 2.387 520 L HA 0.565 4.905 4.340 -0.000 0.000 0.266 520 L C 0.106 176.971 176.870 -0.008 0.000 1.059 520 L CA -0.514 54.331 54.840 0.008 0.000 0.801 520 L CB 1.076 43.144 42.059 0.014 0.000 1.223 520 L HN 0.657 nan 8.230 nan 0.000 0.456 521 N N 0.198 118.893 118.700 -0.010 0.000 2.682 521 N HA 0.384 5.124 4.740 -0.000 0.000 0.252 521 N C -1.610 173.881 175.510 -0.032 0.000 1.081 521 N CA -0.332 52.696 53.050 -0.036 0.000 0.844 521 N CB 1.191 39.658 38.487 -0.032 0.000 1.167 521 N HN 0.242 nan 8.380 nan 0.000 0.523 522 V N 2.507 122.406 119.914 -0.025 0.000 2.328 522 V HA 0.293 4.413 4.120 -0.000 0.000 0.278 522 V C 0.632 176.725 176.094 -0.002 0.000 1.021 522 V CA -0.544 61.752 62.300 -0.006 0.000 0.838 522 V CB 1.028 32.861 31.823 0.016 0.000 0.999 522 V HN 0.823 nan 8.190 nan 0.000 0.447 523 S N 3.935 119.607 115.700 -0.047 0.000 3.533 523 S HA -0.210 4.260 4.470 -0.000 0.000 0.347 523 S C 1.375 175.769 174.600 -0.342 0.000 1.101 523 S CA 1.340 59.484 58.200 -0.094 0.000 1.009 523 S CB -1.323 61.901 63.200 0.039 0.000 0.916 523 S HN 2.221 nan 8.310 nan 0.000 0.496 524 G N -0.358 108.248 108.800 -0.324 0.000 2.136 524 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.242 524 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.242 524 G C -0.398 174.095 174.900 -0.677 0.000 0.989 524 G CA 0.468 45.294 45.100 -0.458 0.000 0.682 524 G HN 0.863 nan 8.290 nan 0.000 0.522 525 H N -0.835 118.060 119.070 -0.292 0.000 2.489 525 H HA 0.573 5.129 4.556 -0.000 0.000 0.343 525 H C 0.398 175.552 175.328 -0.290 0.000 1.086 525 H CA -0.816 54.980 56.048 -0.420 0.000 1.198 525 H CB 1.168 30.720 29.762 -0.351 0.000 1.490 525 H HN 0.269 nan 8.280 nan 0.000 0.504 526 R N 4.062 124.438 120.500 -0.207 0.000 2.267 526 R HA 0.334 4.674 4.340 -0.000 0.000 0.319 526 R C -1.327 174.945 176.300 -0.047 0.000 1.067 526 R CA -0.169 55.863 56.100 -0.114 0.000 0.936 526 R CB 0.078 30.305 30.300 -0.121 0.000 1.006 526 R HN 0.578 nan 8.270 nan 0.000 0.452 527 L N 3.054 124.266 121.223 -0.018 0.000 2.388 527 L HA 0.513 4.853 4.340 -0.000 0.000 0.264 527 L C 0.256 177.131 176.870 0.009 0.000 0.998 527 L CA -1.205 53.636 54.840 0.001 0.000 0.817 527 L CB 2.347 44.403 42.059 -0.004 0.000 1.338 527 L HN 0.789 nan 8.230 nan 0.000 0.414 528 G N -0.067 108.742 108.800 0.016 0.000 2.338 528 G HA2 0.368 4.328 3.960 -0.000 0.000 0.298 528 G HA3 0.368 4.328 3.960 -0.000 0.000 0.298 528 G C 0.587 175.496 174.900 0.016 0.000 1.140 528 G CA -0.148 44.963 45.100 0.018 0.000 0.860 528 G HN 0.676 nan 8.290 nan 0.000 0.470 529 T N 2.750 117.315 114.554 0.018 0.000 2.708 529 T HA -0.174 4.176 4.350 -0.000 0.000 0.266 529 T C 2.855 177.571 174.700 0.026 0.000 1.037 529 T CA 1.957 64.072 62.100 0.025 0.000 1.146 529 T CB -0.197 68.686 68.868 0.027 0.000 0.865 529 T HN 0.654 nan 8.240 nan 0.000 0.435 530 A N 2.089 124.922 122.820 0.021 0.000 1.908 530 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 530 A C 2.209 179.809 177.584 0.027 0.000 1.181 530 A CA 2.064 54.114 52.037 0.023 0.000 0.627 530 A CB -0.658 18.353 19.000 0.018 0.000 0.818 530 A HN 0.806 nan 8.150 nan 0.000 0.445 531 E N -0.127 120.088 120.200 0.024 0.000 2.150 531 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 531 E C 1.827 178.438 176.600 0.019 0.000 0.985 531 E CA 1.334 57.746 56.400 0.021 0.000 0.814 531 E CB -0.466 29.241 29.700 0.013 0.000 0.752 531 E HN 0.649 nan 8.360 nan 0.000 0.466 532 I N 1.379 121.960 120.570 0.019 0.000 2.286 532 I HA -0.192 3.978 4.170 -0.000 0.000 0.245 532 I C 2.296 178.441 176.117 0.047 0.000 1.104 532 I CA 1.274 62.587 61.300 0.022 0.000 1.397 532 I CB -0.289 37.720 38.000 0.015 0.000 1.072 532 I HN 0.127 nan 8.210 nan 0.000 0.417 533 E N 0.670 120.898 120.200 0.047 0.000 2.077 533 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 533 E C 2.334 178.977 176.600 0.071 0.000 0.989 533 E CA 1.537 57.971 56.400 0.056 0.000 0.800 533 E CB -0.096 29.631 29.700 0.046 0.000 0.746 533 E HN 0.331 nan 8.360 nan 0.000 0.452 534 S N 0.710 116.448 115.700 0.064 0.000 2.382 534 S HA -0.171 4.299 4.470 -0.000 0.000 0.228 534 S C 2.108 176.780 174.600 0.120 0.000 1.027 534 S CA 0.969 59.215 58.200 0.076 0.000 0.991 534 S CB -0.193 63.040 63.200 0.056 0.000 0.823 534 S HN 0.391 nan 8.310 nan 0.000 0.469 535 A N 1.390 124.279 122.820 0.116 0.000 1.902 535 A HA -0.020 4.300 4.320 -0.000 0.000 0.217 535 A C 2.125 179.932 177.584 0.372 0.000 1.181 535 A CA 1.171 53.312 52.037 0.175 0.000 0.623 535 A CB -0.728 18.313 19.000 0.067 0.000 0.818 535 A HN 0.445 nan 8.150 nan 0.000 0.443 536 L N -0.495 120.880 121.223 0.253 0.000 2.017 536 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 536 L C 2.434 179.406 176.870 0.171 0.000 1.073 536 L CA 1.164 56.142 54.840 0.230 0.000 0.745 536 L CB -0.470 41.654 42.059 0.108 0.000 0.894 536 L HN 0.246 nan 8.230 nan 0.000 0.432 537 V N -0.077 119.919 119.914 0.137 0.000 2.759 537 V HA -0.203 3.917 4.120 -0.000 0.000 0.256 537 V C 2.579 178.736 176.094 0.105 0.000 1.080 537 V CA 1.365 63.722 62.300 0.094 0.000 1.101 537 V CB -0.824 31.043 31.823 0.072 0.000 0.698 537 V HN 0.464 nan 8.190 nan 0.000 0.477 538 A N -1.328 121.615 122.820 0.206 0.000 2.067 538 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 538 A C 1.421 179.065 177.584 0.100 0.000 1.158 538 A CA 0.601 52.787 52.037 0.248 0.000 0.661 538 A CB -0.631 18.625 19.000 0.425 0.000 0.801 538 A HN 0.618 nan 8.150 nan 0.000 0.452 539 H N 0.401 119.309 119.070 -0.270 0.000 2.886 539 H HA 0.117 4.673 4.556 -0.000 0.000 0.329 539 H C -1.821 173.240 175.328 -0.445 0.000 1.044 539 H CA -1.455 54.037 56.048 -0.926 0.000 1.456 539 H CB 1.091 30.179 29.762 -1.123 0.000 1.464 539 H HN 0.018 nan 8.280 nan 0.000 0.573 540 P HA -0.135 nan 4.420 nan 0.000 0.218 540 P C 0.604 177.863 177.300 -0.067 0.000 1.146 540 P CA 1.786 64.721 63.100 -0.276 0.000 0.813 540 P CB 0.264 31.756 31.700 -0.346 0.000 0.778 541 K N -1.530 118.959 120.400 0.147 0.000 2.374 541 K HA 0.180 4.500 4.320 -0.000 0.000 0.196 541 K C 0.530 177.158 176.600 0.047 0.000 1.023 541 K CA 0.049 56.393 56.287 0.096 0.000 1.103 541 K CB 0.296 32.852 32.500 0.094 0.000 0.848 541 K HN 0.213 nan 8.250 nan 0.000 0.528 542 I N 0.594 121.199 120.570 0.058 0.000 2.359 542 I HA 0.138 4.308 4.170 -0.000 0.000 0.294 542 I C 0.813 176.946 176.117 0.026 0.000 0.987 542 I CA -0.372 60.946 61.300 0.030 0.000 1.225 542 I CB 1.842 39.849 38.000 0.013 0.000 1.366 542 I HN -0.004 nan 8.210 nan 0.000 0.466 543 A N 4.932 127.770 122.820 0.030 0.000 1.956 543 A HA 0.182 4.502 4.320 -0.000 0.000 0.212 543 A C 0.657 178.256 177.584 0.024 0.000 1.188 543 A CA 0.729 52.776 52.037 0.015 0.000 0.675 543 A CB 0.292 19.294 19.000 0.003 0.000 0.845 543 A HN 0.780 nan 8.150 nan 0.000 0.455 544 E N -2.475 117.748 120.200 0.039 0.000 2.407 544 E HA 0.617 4.967 4.350 -0.000 0.000 0.279 544 E C -1.677 174.953 176.600 0.051 0.000 1.012 544 E CA -0.405 56.018 56.400 0.038 0.000 0.800 544 E CB 1.915 31.631 29.700 0.027 0.000 1.276 544 E HN 0.507 nan 8.360 nan 0.000 0.452 545 A N 1.083 123.932 122.820 0.048 0.000 2.574 545 A HA 0.846 5.165 4.320 -0.000 0.000 0.297 545 A C -1.742 175.876 177.584 0.058 0.000 1.062 545 A CA -0.044 52.028 52.037 0.059 0.000 0.686 545 A CB 1.841 20.874 19.000 0.055 0.000 1.285 545 A HN 0.660 nan 8.150 nan 0.000 0.403 546 A N 1.123 123.999 122.820 0.093 0.000 2.385 546 A HA 0.663 4.983 4.320 -0.000 0.000 0.290 546 A C -1.058 176.641 177.584 0.191 0.000 1.094 546 A CA -0.397 51.691 52.037 0.086 0.000 0.729 546 A CB 1.052 20.044 19.000 -0.013 0.000 1.194 546 A HN 1.378 nan 8.150 nan 0.000 0.442 547 V N 3.348 123.343 119.914 0.134 0.000 2.435 547 V HA 0.670 4.790 4.120 -0.000 0.000 0.290 547 V C 0.156 176.338 176.094 0.148 0.000 1.030 547 V CA -0.290 62.099 62.300 0.149 0.000 0.881 547 V CB 1.355 33.226 31.823 0.080 0.000 0.983 547 V HN 1.159 nan 8.190 nan 0.000 0.445 548 V N 1.905 121.937 119.914 0.196 0.000 3.078 548 V HA 1.027 5.147 4.120 -0.000 0.000 0.311 548 V C 0.113 176.283 176.094 0.127 0.000 1.138 548 V CA -0.553 61.834 62.300 0.144 0.000 1.007 548 V CB 1.887 33.803 31.823 0.155 0.000 1.045 548 V HN 0.905 nan 8.190 nan 0.000 0.432 549 G N 2.102 110.950 108.800 0.081 0.000 2.367 549 G HA2 0.737 4.697 3.960 -0.000 0.000 0.314 549 G HA3 0.737 4.697 3.960 -0.000 0.000 0.314 549 G C -0.616 174.320 174.900 0.061 0.000 1.130 549 G CA -0.629 44.514 45.100 0.071 0.000 0.864 549 G HN 1.477 nan 8.290 nan 0.000 0.486 550 I N -0.511 120.104 120.570 0.075 0.000 2.785 550 I HA 0.616 4.786 4.170 -0.000 0.000 0.302 550 I C -2.829 173.337 176.117 0.082 0.000 1.069 550 I CA -3.153 58.183 61.300 0.059 0.000 1.045 550 I CB 2.611 40.651 38.000 0.066 0.000 1.236 550 I HN 0.170 nan 8.210 nan 0.000 0.429 551 P HA 0.115 nan 4.420 nan 0.000 0.266 551 P C -1.410 175.962 177.300 0.120 0.000 1.195 551 P CA 0.571 63.714 63.100 0.071 0.000 0.768 551 P CB 0.132 31.852 31.700 0.034 0.000 0.838 552 H N 1.276 120.353 119.070 0.012 0.000 3.017 552 H HA 0.498 5.054 4.556 -0.000 0.000 0.340 552 H C 0.809 176.136 175.328 -0.001 0.000 1.014 552 H CA -0.415 55.639 56.048 0.010 0.000 1.341 552 H CB 1.288 31.058 29.762 0.014 0.000 1.739 552 H HN 0.319 nan 8.280 nan 0.000 0.506 553 A N 4.911 127.565 122.820 -0.276 0.000 1.986 553 A HA -0.166 4.154 4.320 -0.000 0.000 0.220 553 A C 1.394 178.943 177.584 -0.059 0.000 1.171 553 A CA 1.929 53.874 52.037 -0.154 0.000 0.640 553 A CB -0.324 18.561 19.000 -0.192 0.000 0.811 553 A HN 0.640 nan 8.150 nan 0.000 0.451 554 I N -1.603 118.994 120.570 0.044 0.000 3.136 554 I HA 0.012 4.182 4.170 -0.000 0.000 0.262 554 I C 1.820 178.034 176.117 0.162 0.000 1.132 554 I CA 0.966 62.342 61.300 0.125 0.000 1.450 554 I CB -1.133 36.960 38.000 0.154 0.000 1.315 554 I HN 0.251 nan 8.210 nan 0.000 0.460 555 K N 0.900 121.491 120.400 0.318 0.000 2.432 555 K HA 0.130 4.450 4.320 -0.000 0.000 0.196 555 K C 1.493 178.124 176.600 0.052 0.000 1.038 555 K CA 0.744 57.076 56.287 0.076 0.000 0.986 555 K CB 0.271 32.695 32.500 -0.127 0.000 0.782 555 K HN 0.480 nan 8.250 nan 0.000 0.485 556 G N 1.175 110.034 108.800 0.099 0.000 4.526 556 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.217 556 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.217 556 G C -0.048 174.900 174.900 0.079 0.000 1.428 556 G CA -0.093 45.041 45.100 0.057 0.000 0.928 556 G HN 0.348 nan 8.290 nan 0.000 0.639 557 Q N 0.460 120.294 119.800 0.058 0.000 2.372 557 Q HA 0.680 5.020 4.340 -0.000 0.000 0.273 557 Q C -0.440 175.575 176.000 0.024 0.000 1.078 557 Q CA -0.151 55.687 55.803 0.059 0.000 0.806 557 Q CB 2.348 31.108 28.738 0.036 0.000 1.332 557 Q HN 1.044 nan 8.270 nan 0.000 0.435 558 A N 2.446 125.292 122.820 0.043 0.000 2.337 558 A HA 0.689 5.009 4.320 -0.000 0.000 0.331 558 A C -0.550 177.055 177.584 0.034 0.000 1.137 558 A CA -0.680 51.344 52.037 -0.022 0.000 0.807 558 A CB 0.684 19.685 19.000 0.001 0.000 1.250 558 A HN 0.732 nan 8.150 nan 0.000 0.468 559 I N 1.712 122.286 120.570 0.006 0.000 2.337 559 I HA 0.140 4.310 4.170 -0.000 0.000 0.291 559 I C -0.949 175.193 176.117 0.041 0.000 1.046 559 I CA 0.085 61.402 61.300 0.028 0.000 1.324 559 I CB 0.359 38.352 38.000 -0.011 0.000 1.409 559 I HN 0.644 nan 8.210 nan 0.000 0.494 560 Y N 6.759 127.031 120.300 -0.046 0.000 2.334 560 Y HA 0.658 5.208 4.550 -0.000 0.000 0.336 560 Y C -0.261 175.575 175.900 -0.107 0.000 0.960 560 Y CA -0.917 57.126 58.100 -0.096 0.000 1.164 560 Y CB 1.338 39.751 38.460 -0.079 0.000 1.155 560 Y HN 0.585 nan 8.280 nan 0.000 0.478 561 A N 6.244 128.926 122.820 -0.229 0.000 2.287 561 A HA 0.545 4.865 4.320 -0.000 0.000 0.317 561 A C -1.914 175.537 177.584 -0.221 0.000 1.220 561 A CA -0.505 51.461 52.037 -0.119 0.000 0.835 561 A CB 0.027 18.936 19.000 -0.152 0.000 1.180 561 A HN 0.725 nan 8.150 nan 0.000 0.500 562 Y N 1.664 121.943 120.300 -0.034 0.000 2.336 562 Y HA 0.438 4.988 4.550 -0.000 0.000 0.335 562 Y C 0.238 176.078 175.900 -0.100 0.000 1.046 562 Y CA -0.074 57.962 58.100 -0.106 0.000 1.198 562 Y CB 1.345 39.744 38.460 -0.102 0.000 1.182 562 Y HN 0.370 nan 8.280 nan 0.000 0.502 563 V N 3.236 123.163 119.914 0.020 0.000 2.531 563 V HA 0.374 4.494 4.120 -0.000 0.000 0.301 563 V C -0.298 175.918 176.094 0.204 0.000 1.034 563 V CA -0.924 61.427 62.300 0.084 0.000 0.865 563 V CB 2.073 33.912 31.823 0.027 0.000 0.995 563 V HN 0.748 nan 8.190 nan 0.000 0.424 564 T N 6.458 121.105 114.554 0.155 0.000 2.749 564 T HA 0.609 4.959 4.350 -0.000 0.000 0.287 564 T C -0.164 174.617 174.700 0.135 0.000 0.970 564 T CA -0.219 61.971 62.100 0.149 0.000 0.980 564 T CB 0.588 69.513 68.868 0.094 0.000 0.924 564 T HN 0.340 nan 8.240 nan 0.000 0.456 565 L N 3.496 124.801 121.223 0.137 0.000 2.357 565 L HA 0.423 4.763 4.340 -0.000 0.000 0.273 565 L C 0.962 177.872 176.870 0.067 0.000 1.080 565 L CA -1.148 53.734 54.840 0.071 0.000 0.803 565 L CB 0.598 42.648 42.059 -0.015 0.000 1.174 565 L HN 0.522 nan 8.230 nan 0.000 0.443 566 N N 0.064 118.786 118.700 0.036 0.000 2.371 566 N HA 0.088 4.828 4.740 -0.000 0.000 0.243 566 N C -0.168 175.411 175.510 0.114 0.000 1.287 566 N CA -0.141 52.925 53.050 0.027 0.000 0.911 566 N CB 0.310 38.791 38.487 -0.009 0.000 1.142 566 N HN 0.501 nan 8.380 nan 0.000 0.451 567 H N -0.587 118.471 119.070 -0.019 0.000 2.852 567 H HA 0.128 4.684 4.556 -0.000 0.000 0.362 567 H C 1.262 176.570 175.328 -0.032 0.000 1.122 567 H CA 0.359 56.393 56.048 -0.024 0.000 1.419 567 H CB 0.517 30.269 29.762 -0.016 0.000 1.401 567 H HN 0.842 nan 8.280 nan 0.000 0.609 568 G N 1.620 110.460 108.800 0.066 0.000 2.267 568 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.257 568 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.257 568 G C -0.012 174.875 174.900 -0.022 0.000 0.998 568 G CA 0.007 45.113 45.100 0.011 0.000 0.620 568 G HN 0.565 nan 8.290 nan 0.000 0.529 569 E N 1.848 122.033 120.200 -0.025 0.000 2.130 569 E HA 0.592 4.942 4.350 -0.000 0.000 0.284 569 E C 0.308 176.828 176.600 -0.132 0.000 1.018 569 E CA 0.570 56.925 56.400 -0.074 0.000 0.817 569 E CB 0.981 30.640 29.700 -0.070 0.000 1.078 569 E HN 0.871 nan 8.360 nan 0.000 0.396 570 E N 3.066 123.169 120.200 -0.161 0.000 2.195 570 E HA 0.515 4.865 4.350 -0.000 0.000 0.271 570 E C -2.599 173.808 176.600 -0.323 0.000 0.923 570 E CA -2.253 54.022 56.400 -0.208 0.000 0.790 570 E CB 0.702 30.319 29.700 -0.138 0.000 1.155 570 E HN 0.132 nan 8.360 nan 0.000 0.402 571 P HA 0.277 nan 4.420 nan 0.000 0.267 571 P C -0.700 176.433 177.300 -0.278 0.000 1.205 571 P CA 0.189 62.894 63.100 -0.659 0.000 0.765 571 P CB 0.839 32.005 31.700 -0.889 0.000 0.828 572 S N 2.427 118.029 115.700 -0.163 0.000 2.625 572 S HA 0.535 5.005 4.470 -0.000 0.000 0.271 572 S C -2.430 172.207 174.600 0.062 0.000 1.161 572 S CA -1.459 56.717 58.200 -0.040 0.000 0.820 572 S CB 1.432 64.603 63.200 -0.049 0.000 1.137 572 S HN 0.023 nan 8.310 nan 0.000 0.470 573 P HA -0.094 nan 4.420 nan 0.000 0.216 573 P C 1.476 178.852 177.300 0.127 0.000 1.150 573 P CA 1.049 64.197 63.100 0.079 0.000 0.837 573 P CB 0.117 31.834 31.700 0.027 0.000 0.786 574 E N -0.208 120.041 120.200 0.081 0.000 2.051 574 E HA -0.178 4.172 4.350 -0.000 0.000 0.192 574 E C 1.844 178.506 176.600 0.103 0.000 0.991 574 E CA 1.093 57.541 56.400 0.080 0.000 0.799 574 E CB -0.778 28.948 29.700 0.044 0.000 0.748 574 E HN 0.075 nan 8.360 nan 0.000 0.449 575 L N 0.408 121.677 121.223 0.077 0.000 2.093 575 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 575 L C 2.356 179.349 176.870 0.206 0.000 1.085 575 L CA 1.580 56.452 54.840 0.053 0.000 0.755 575 L CB -0.908 41.084 42.059 -0.112 0.000 0.904 575 L HN 0.173 nan 8.230 nan 0.000 0.435 576 Y N -0.222 120.209 120.300 0.218 0.000 2.145 576 Y HA -0.261 4.289 4.550 -0.000 0.000 0.286 576 Y C 2.425 178.416 175.900 0.151 0.000 1.145 576 Y CA 2.058 60.347 58.100 0.316 0.000 1.148 576 Y CB -0.341 38.278 38.460 0.265 0.000 0.981 576 Y HN 0.263 nan 8.280 nan 0.000 0.507 577 A N -0.244 122.759 122.820 0.305 0.000 1.898 577 A HA -0.219 4.101 4.320 -0.000 0.000 0.216 577 A C 2.175 179.840 177.584 0.134 0.000 1.181 577 A CA 1.775 53.929 52.037 0.195 0.000 0.620 577 A CB -0.844 18.251 19.000 0.159 0.000 0.819 577 A HN 0.606 nan 8.150 nan 0.000 0.442 578 E N -0.240 120.038 120.200 0.130 0.000 2.077 578 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 578 E C 1.888 178.567 176.600 0.132 0.000 0.989 578 E CA 1.458 57.942 56.400 0.139 0.000 0.800 578 E CB -0.103 29.673 29.700 0.127 0.000 0.746 578 E HN 0.331 nan 8.360 nan 0.000 0.452 579 V N 1.071 121.000 119.914 0.025 0.000 2.307 579 V HA -0.244 3.876 4.120 -0.000 0.000 0.245 579 V C 2.403 178.525 176.094 0.047 0.000 1.045 579 V CA 1.974 64.255 62.300 -0.032 0.000 1.024 579 V CB -0.485 31.288 31.823 -0.082 0.000 0.651 579 V HN 0.258 nan 8.190 nan 0.000 0.449 580 R N 0.360 120.848 120.500 -0.021 0.000 2.073 580 R HA -0.142 4.198 4.340 -0.000 0.000 0.234 580 R C 2.156 178.491 176.300 0.059 0.000 1.134 580 R CA 1.686 57.773 56.100 -0.021 0.000 0.952 580 R CB -0.524 29.754 30.300 -0.037 0.000 0.850 580 R HN 0.493 nan 8.270 nan 0.000 0.433 581 N N 0.239 118.999 118.700 0.101 0.000 2.381 581 N HA -0.200 4.540 4.740 -0.000 0.000 0.182 581 N C 1.237 176.836 175.510 0.149 0.000 1.025 581 N CA 0.761 53.876 53.050 0.107 0.000 0.888 581 N CB -0.252 38.305 38.487 0.116 0.000 0.965 581 N HN 0.433 nan 8.380 nan 0.000 0.438 582 W N 1.558 122.882 121.300 0.039 0.000 2.381 582 W HA -0.108 4.552 4.660 -0.000 0.000 0.301 582 W C 1.289 177.826 176.519 0.030 0.000 1.205 582 W CA 0.848 58.236 57.345 0.072 0.000 1.285 582 W CB -0.061 29.498 29.460 0.166 0.000 1.133 582 W HN -0.170 nan 8.180 nan 0.000 0.521 583 V N 1.337 121.315 119.914 0.107 0.000 2.427 583 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 583 V C 2.598 178.634 176.094 -0.096 0.000 1.051 583 V CA 2.175 64.464 62.300 -0.019 0.000 1.048 583 V CB -0.976 30.862 31.823 0.025 0.000 0.666 583 V HN 0.146 nan 8.190 nan 0.000 0.456 584 R N 0.365 120.832 120.500 -0.057 0.000 2.096 584 R HA -0.206 4.134 4.340 -0.000 0.000 0.235 584 R C 2.389 178.621 176.300 -0.114 0.000 1.127 584 R CA 1.906 57.968 56.100 -0.063 0.000 0.968 584 R CB -0.159 30.128 30.300 -0.022 0.000 0.861 584 R HN 0.501 nan 8.270 nan 0.000 0.440 585 K N -0.027 120.269 120.400 -0.173 0.000 2.116 585 K HA -0.090 4.230 4.320 -0.000 0.000 0.203 585 K C 1.601 178.007 176.600 -0.322 0.000 1.052 585 K CA 1.106 57.249 56.287 -0.239 0.000 0.952 585 K CB 0.202 32.524 32.500 -0.297 0.000 0.729 585 K HN 0.091 nan 8.250 nan 0.000 0.446 586 E N 0.384 120.323 120.200 -0.435 0.000 2.107 586 E HA -0.099 4.251 4.350 -0.000 0.000 0.191 586 E C 1.968 178.421 176.600 -0.245 0.000 0.982 586 E CA 1.160 57.324 56.400 -0.393 0.000 0.809 586 E CB 0.190 29.623 29.700 -0.444 0.000 0.756 586 E HN 0.443 nan 8.360 nan 0.000 0.459 587 I N -1.618 118.824 120.570 -0.213 0.000 3.739 587 I HA 0.256 4.426 4.170 -0.000 0.000 0.272 587 I C 0.949 176.931 176.117 -0.225 0.000 1.167 587 I CA 0.446 61.611 61.300 -0.225 0.000 1.386 587 I CB 1.069 38.957 38.000 -0.186 0.000 1.490 587 I HN 0.059 nan 8.210 nan 0.000 0.452 588 G N 0.877 109.592 108.800 -0.143 0.000 2.353 588 G HA2 0.038 3.998 3.960 -0.000 0.000 0.308 588 G HA3 0.038 3.998 3.960 -0.000 0.000 0.308 588 G C -2.634 172.242 174.900 -0.041 0.000 1.418 588 G CA -0.445 44.609 45.100 -0.076 0.000 0.966 588 G HN -0.188 nan 8.290 nan 0.000 0.638 589 P HA -0.070 nan 4.420 nan 0.000 0.219 589 P C 2.001 179.308 177.300 0.010 0.000 1.146 589 P CA 0.861 63.963 63.100 0.004 0.000 0.808 589 P CB 0.217 31.925 31.700 0.014 0.000 0.779 590 L N -0.873 120.364 121.223 0.023 0.000 2.275 590 L HA -0.057 4.283 4.340 -0.000 0.000 0.215 590 L C 2.347 179.209 176.870 -0.014 0.000 1.119 590 L CA 1.244 56.085 54.840 0.002 0.000 0.790 590 L CB -0.750 41.280 42.059 -0.048 0.000 0.919 590 L HN -0.029 nan 8.230 nan 0.000 0.443 591 A N -1.242 121.560 122.820 -0.029 0.000 2.345 591 A HA 0.129 4.449 4.320 -0.000 0.000 0.225 591 A C 0.866 178.431 177.584 -0.032 0.000 1.243 591 A CA -0.127 51.889 52.037 -0.035 0.000 0.875 591 A CB -0.292 18.674 19.000 -0.056 0.000 0.929 591 A HN 0.189 nan 8.150 nan 0.000 0.502 592 T N 3.543 118.079 114.554 -0.029 0.000 2.867 592 T HA 0.291 4.641 4.350 -0.000 0.000 0.297 592 T C -2.570 172.101 174.700 -0.049 0.000 0.989 592 T CA -0.309 61.771 62.100 -0.033 0.000 1.159 592 T CB 0.478 69.334 68.868 -0.021 0.000 0.928 592 T HN 0.136 nan 8.240 nan 0.000 0.538 593 P HA 0.106 nan 4.420 nan 0.000 0.267 593 P C 0.419 177.650 177.300 -0.114 0.000 1.205 593 P CA -0.117 62.915 63.100 -0.112 0.000 0.765 593 P CB 0.530 32.122 31.700 -0.180 0.000 0.828 594 D N 1.146 121.487 120.400 -0.098 0.000 2.249 594 D HA 0.019 4.659 4.640 -0.000 0.000 0.205 594 D C 0.265 176.511 176.300 -0.091 0.000 0.962 594 D CA 1.160 55.119 54.000 -0.069 0.000 0.860 594 D CB 0.459 41.225 40.800 -0.056 0.000 0.955 594 D HN 0.121 nan 8.370 nan 0.000 0.505 595 V N 1.587 121.373 119.914 -0.213 0.000 2.686 595 V HA 0.333 4.453 4.120 -0.000 0.000 0.306 595 V C -0.483 175.253 176.094 -0.597 0.000 1.065 595 V CA -0.707 61.375 62.300 -0.364 0.000 0.894 595 V CB 2.837 34.336 31.823 -0.539 0.000 1.004 595 V HN -0.073 nan 8.190 nan 0.000 0.424 596 L N 4.203 125.063 121.223 -0.604 0.000 2.325 596 L HA 0.556 4.896 4.340 -0.000 0.000 0.281 596 L C -0.456 175.920 176.870 -0.824 0.000 1.004 596 L CA -0.448 53.861 54.840 -0.884 0.000 0.823 596 L CB 1.434 42.659 42.059 -1.390 0.000 1.236 596 L HN 0.765 nan 8.230 nan 0.000 0.415 597 H N 3.388 121.935 119.070 -0.873 0.000 2.638 597 H HA 0.257 4.813 4.556 -0.000 0.000 0.303 597 H C -1.256 173.867 175.328 -0.341 0.000 1.034 597 H CA -0.882 54.825 56.048 -0.568 0.000 1.225 597 H CB 0.676 30.138 29.762 -0.501 0.000 1.394 597 H HN 0.514 nan 8.280 nan 0.000 0.477 598 W N 4.560 126.024 121.300 0.275 0.000 2.253 598 W HA 0.302 4.962 4.660 -0.000 0.000 0.322 598 W C 0.450 177.107 176.519 0.230 0.000 1.342 598 W CA -0.242 57.207 57.345 0.174 0.000 1.218 598 W CB 1.192 30.725 29.460 0.122 0.000 1.205 598 W HN 0.440 nan 8.180 nan 0.000 0.551 599 T N 1.378 116.132 114.554 0.332 0.000 2.786 599 T HA 0.161 4.511 4.350 -0.000 0.000 0.316 599 T C -0.655 174.138 174.700 0.156 0.000 1.503 599 T CA -0.647 61.581 62.100 0.214 0.000 1.019 599 T CB 1.463 70.375 68.868 0.073 0.000 1.415 599 T HN 0.435 nan 8.240 nan 0.000 0.496 600 D N 1.184 121.658 120.400 0.123 0.000 2.527 600 D HA 0.233 4.873 4.640 -0.000 0.000 0.224 600 D C 0.251 176.590 176.300 0.066 0.000 1.217 600 D CA -0.017 54.040 54.000 0.095 0.000 0.819 600 D CB 0.851 41.710 40.800 0.097 0.000 1.061 600 D HN 0.337 nan 8.370 nan 0.000 0.515 601 S N 0.777 116.512 115.700 0.059 0.000 2.481 601 S HA 0.259 4.729 4.470 -0.000 0.000 0.243 601 S C 0.709 175.299 174.600 -0.016 0.000 1.152 601 S CA -0.340 57.879 58.200 0.032 0.000 1.168 601 S CB 0.276 63.508 63.200 0.055 0.000 0.835 601 S HN 0.181 nan 8.310 nan 0.000 0.474 602 L N 4.162 125.367 121.223 -0.029 0.000 2.462 602 L HA 0.212 4.552 4.340 -0.000 0.000 0.272 602 L C -1.915 174.911 176.870 -0.074 0.000 1.166 602 L CA -1.469 53.321 54.840 -0.083 0.000 0.880 602 L CB 0.153 42.175 42.059 -0.061 0.000 1.142 602 L HN 0.073 nan 8.230 nan 0.000 0.473 603 P HA 0.202 nan 4.420 nan 0.000 0.276 603 P C -1.114 176.148 177.300 -0.064 0.000 1.243 603 P CA -0.212 62.841 63.100 -0.078 0.000 0.768 603 P CB 1.038 32.680 31.700 -0.097 0.000 0.856 604 K N 1.073 121.449 120.400 -0.041 0.000 2.482 604 K HA 0.444 4.764 4.320 -0.000 0.000 0.257 604 K C 0.444 177.030 176.600 -0.024 0.000 0.969 604 K CA -0.722 55.546 56.287 -0.032 0.000 0.842 604 K CB 1.916 34.402 32.500 -0.024 0.000 1.359 604 K HN 0.421 nan 8.250 nan 0.000 0.441 605 T N -1.559 112.982 114.554 -0.021 0.000 2.754 605 T HA 0.179 4.529 4.350 -0.000 0.000 0.286 605 T C 1.091 175.784 174.700 -0.012 0.000 0.997 605 T CA -0.425 61.666 62.100 -0.016 0.000 0.982 605 T CB 0.732 69.591 68.868 -0.015 0.000 1.027 605 T HN 0.536 nan 8.240 nan 0.000 0.529 606 R N 0.315 120.809 120.500 -0.009 0.000 2.189 606 R HA -0.033 4.307 4.340 -0.000 0.000 0.223 606 R C 2.564 178.860 176.300 -0.007 0.000 1.092 606 R CA 1.257 57.353 56.100 -0.007 0.000 0.989 606 R CB -0.337 29.960 30.300 -0.005 0.000 0.876 606 R HN 0.839 nan 8.270 nan 0.000 0.457 607 S N -1.193 114.503 115.700 -0.008 0.000 2.558 607 S HA 0.131 4.601 4.470 -0.000 0.000 0.217 607 S C 1.372 175.968 174.600 -0.008 0.000 0.975 607 S CA 0.383 58.579 58.200 -0.007 0.000 0.912 607 S CB 0.813 64.009 63.200 -0.007 0.000 0.776 607 S HN 0.467 nan 8.310 nan 0.000 0.526 608 G N -0.105 108.689 108.800 -0.009 0.000 2.179 608 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.220 608 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.220 608 G C 0.143 175.035 174.900 -0.012 0.000 0.990 608 G CA 0.005 45.099 45.100 -0.010 0.000 0.646 608 G HN 1.024 nan 8.290 nan 0.000 0.517 609 K N -0.190 120.201 120.400 -0.014 0.000 2.298 609 K HA 0.903 5.223 4.320 -0.000 0.000 0.280 609 K C 0.826 177.413 176.600 -0.023 0.000 1.032 609 K CA 0.380 56.657 56.287 -0.016 0.000 0.958 609 K CB 0.085 32.576 32.500 -0.015 0.000 0.978 609 K HN 1.970 nan 8.250 nan 0.000 0.472 610 I N 1.742 122.297 120.570 -0.025 0.000 2.692 610 I HA 0.555 4.724 4.170 -0.000 0.000 0.284 610 I C 0.568 176.660 176.117 -0.043 0.000 1.159 610 I CA -0.466 60.811 61.300 -0.038 0.000 1.423 610 I CB 0.212 38.190 38.000 -0.037 0.000 1.380 610 I HN 0.752 nan 8.210 nan 0.000 0.580 611 M N 5.790 125.354 119.600 -0.060 0.000 2.036 611 M HA 0.430 4.910 4.480 -0.000 0.000 0.337 611 M C 0.893 177.144 176.300 -0.082 0.000 1.012 611 M CA -0.199 55.066 55.300 -0.059 0.000 0.962 611 M CB 0.947 33.514 32.600 -0.055 0.000 1.423 611 M HN 0.792 nan 8.290 nan 0.000 0.405 612 R N 0.605 121.068 120.500 -0.062 0.000 2.173 612 R HA 0.059 4.399 4.340 -0.000 0.000 0.208 612 R C 1.859 178.127 176.300 -0.053 0.000 1.035 612 R CA 0.459 56.519 56.100 -0.066 0.000 1.004 612 R CB 0.221 30.503 30.300 -0.029 0.000 0.917 612 R HN 0.593 nan 8.270 nan 0.000 0.462 613 R N 2.087 122.565 120.500 -0.037 0.000 2.096 613 R HA -0.170 4.170 4.340 -0.000 0.000 0.240 613 R C 2.326 178.604 176.300 -0.036 0.000 1.139 613 R CA 2.057 58.142 56.100 -0.026 0.000 0.952 613 R CB -0.401 29.889 30.300 -0.017 0.000 0.854 613 R HN 0.302 nan 8.270 nan 0.000 0.436 614 I N -1.525 119.014 120.570 -0.051 0.000 2.315 614 I HA -0.194 3.976 4.170 -0.000 0.000 0.248 614 I C 2.066 178.138 176.117 -0.075 0.000 1.117 614 I CA 1.208 62.475 61.300 -0.055 0.000 1.404 614 I CB -0.520 37.445 38.000 -0.058 0.000 1.071 614 I HN 0.140 nan 8.210 nan 0.000 0.419 615 L N 0.823 121.965 121.223 -0.136 0.000 2.046 615 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 615 L C 3.008 179.862 176.870 -0.025 0.000 1.077 615 L CA 1.488 56.198 54.840 -0.217 0.000 0.747 615 L CB -0.602 41.185 42.059 -0.454 0.000 0.896 615 L HN 0.292 nan 8.230 nan 0.000 0.432 616 R N 0.585 121.072 120.500 -0.021 0.000 2.073 616 R HA -0.158 4.182 4.340 -0.000 0.000 0.234 616 R C 2.351 178.635 176.300 -0.027 0.000 1.134 616 R CA 1.357 57.454 56.100 -0.005 0.000 0.952 616 R CB 0.016 30.316 30.300 0.000 0.000 0.850 616 R HN 0.246 nan 8.270 nan 0.000 0.433 617 K N 0.286 120.673 120.400 -0.022 0.000 2.057 617 K HA -0.144 4.176 4.320 -0.000 0.000 0.207 617 K C 2.162 178.748 176.600 -0.023 0.000 1.049 617 K CA 1.509 57.784 56.287 -0.020 0.000 0.931 617 K CB -0.205 32.286 32.500 -0.015 0.000 0.714 617 K HN 0.319 nan 8.250 nan 0.000 0.440 618 I N 1.160 121.723 120.570 -0.011 0.000 2.252 618 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 618 I C 2.549 178.637 176.117 -0.048 0.000 1.102 618 I CA 0.993 62.300 61.300 0.011 0.000 1.385 618 I CB -0.407 37.638 38.000 0.075 0.000 1.064 618 I HN 0.111 nan 8.210 nan 0.000 0.414 619 A N 0.615 123.346 122.820 -0.150 0.000 1.972 619 A HA -0.079 4.241 4.320 -0.000 0.000 0.219 619 A C 2.423 179.843 177.584 -0.273 0.000 1.169 619 A CA 1.704 53.434 52.037 -0.512 0.000 0.635 619 A CB -0.577 17.885 19.000 -0.896 0.000 0.810 619 A HN 0.436 nan 8.150 nan 0.000 0.446 620 A N -2.343 120.398 122.820 -0.132 0.000 2.123 620 A HA 0.403 4.723 4.320 -0.000 0.000 0.214 620 A C 1.916 179.479 177.584 -0.034 0.000 1.152 620 A CA 1.379 53.381 52.037 -0.059 0.000 0.728 620 A CB -0.575 18.406 19.000 -0.032 0.000 0.814 620 A HN 1.783 nan 8.150 nan 0.000 0.464 621 G N -2.504 106.275 108.800 -0.035 0.000 2.238 621 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.217 621 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.217 621 G C 0.323 175.218 174.900 -0.008 0.000 0.996 621 G CA 0.969 46.061 45.100 -0.014 0.000 0.632 621 G HN 1.083 nan 8.290 nan 0.000 0.503 628 D N 0.862 121.256 120.400 -0.010 0.000 2.395 628 D HA 0.369 5.009 4.640 -0.000 0.000 0.213 628 D C 1.954 178.246 176.300 -0.013 0.000 1.110 628 D CA 1.257 55.250 54.000 -0.012 0.000 0.835 628 D CB -0.563 40.227 40.800 -0.016 0.000 0.965 628 D HN 0.152 nan 8.370 nan 0.000 0.505 629 T N 0.634 115.182 114.554 -0.011 0.000 2.685 629 T HA -0.230 4.120 4.350 -0.000 0.000 0.268 629 T C 2.564 177.260 174.700 -0.008 0.000 1.034 629 T CA 2.338 64.432 62.100 -0.010 0.000 1.149 629 T CB -0.345 68.519 68.868 -0.006 0.000 0.860 629 T HN 0.634 nan 8.240 nan 0.000 0.449 630 S N 0.550 116.246 115.700 -0.006 0.000 2.423 630 S HA -0.094 4.376 4.470 -0.000 0.000 0.231 630 S C 2.080 176.677 174.600 -0.006 0.000 1.014 630 S CA 1.520 59.717 58.200 -0.005 0.000 0.965 630 S CB -0.776 62.421 63.200 -0.004 0.000 0.785 630 S HN 0.481 nan 8.310 nan 0.000 0.495 631 T N 1.117 115.666 114.554 -0.008 0.000 3.113 631 T HA 0.307 4.657 4.350 -0.000 0.000 0.256 631 T C 0.451 175.144 174.700 -0.011 0.000 1.131 631 T CA -0.157 61.938 62.100 -0.009 0.000 1.074 631 T CB -0.686 68.176 68.868 -0.010 0.000 0.944 631 T HN 0.358 nan 8.240 nan 0.000 0.516 632 L N 0.905 122.121 121.223 -0.012 0.000 2.417 632 L HA 0.393 4.733 4.340 -0.000 0.000 0.268 632 L C 1.873 178.736 176.870 -0.010 0.000 1.158 632 L CA -0.443 54.388 54.840 -0.015 0.000 0.819 632 L CB 0.599 42.648 42.059 -0.018 0.000 1.112 632 L HN 0.069 nan 8.230 nan 0.000 0.458 633 A N 1.277 124.091 122.820 -0.011 0.000 2.015 633 A HA -0.112 4.208 4.320 -0.000 0.000 0.219 633 A C 0.667 178.248 177.584 -0.004 0.000 1.163 633 A CA 1.354 53.387 52.037 -0.007 0.000 0.646 633 A CB -0.225 18.771 19.000 -0.007 0.000 0.806 633 A HN 0.779 nan 8.150 nan 0.000 0.448 634 D N -2.746 117.651 120.400 -0.005 0.000 2.364 634 D HA 0.441 5.081 4.640 -0.000 0.000 0.251 634 D C -1.056 175.243 176.300 -0.002 0.000 1.282 634 D CA -0.547 53.452 54.000 -0.001 0.000 0.927 634 D CB 1.690 42.491 40.800 0.002 0.000 1.267 634 D HN 0.032 nan 8.370 nan 0.000 0.531 635 P HA -0.046 nan 4.420 nan 0.000 0.221 635 P C 1.298 178.600 177.300 0.004 0.000 1.145 635 P CA 1.592 64.692 63.100 -0.001 0.000 0.795 635 P CB -0.070 31.630 31.700 -0.000 0.000 0.775 636 G N -0.181 108.623 108.800 0.007 0.000 2.559 636 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.216 636 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.216 636 G C 1.665 176.577 174.900 0.019 0.000 1.126 636 G CA 1.276 46.384 45.100 0.014 0.000 0.778 636 G HN 0.503 nan 8.290 nan 0.000 0.543 637 V N -1.337 118.584 119.914 0.013 0.000 2.667 637 V HA -0.091 4.029 4.120 -0.000 0.000 0.252 637 V C 2.593 178.700 176.094 0.022 0.000 1.065 637 V CA 1.317 63.627 62.300 0.016 0.000 1.083 637 V CB -0.635 31.186 31.823 -0.002 0.000 0.692 637 V HN 0.125 nan 8.190 nan 0.000 0.468 638 V N 1.306 121.228 119.914 0.012 0.000 2.261 638 V HA -0.200 3.920 4.120 -0.000 0.000 0.246 638 V C 3.336 179.453 176.094 0.039 0.000 1.047 638 V CA 2.816 65.126 62.300 0.017 0.000 1.015 638 V CB -1.569 30.258 31.823 0.006 0.000 0.642 638 V HN 0.722 nan 8.190 nan 0.000 0.446 639 E N 0.511 120.731 120.200 0.034 0.000 2.118 639 E HA -0.311 4.039 4.350 -0.000 0.000 0.195 639 E C 2.282 178.917 176.600 0.058 0.000 0.992 639 E CA 2.516 58.941 56.400 0.040 0.000 0.804 639 E CB -0.889 28.830 29.700 0.031 0.000 0.741 639 E HN 0.747 nan 8.360 nan 0.000 0.458 640 K N 0.477 120.916 120.400 0.065 0.000 2.025 640 K HA 0.212 4.532 4.320 -0.000 0.000 0.207 640 K C 2.410 179.091 176.600 0.135 0.000 1.049 640 K CA 1.179 57.518 56.287 0.088 0.000 0.933 640 K CB -0.855 31.695 32.500 0.082 0.000 0.714 640 K HN 0.432 nan 8.250 nan 0.000 0.438 641 L N 0.374 121.686 121.223 0.148 0.000 2.079 641 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 641 L C 2.780 179.799 176.870 0.247 0.000 1.081 641 L CA 1.132 56.122 54.840 0.250 0.000 0.752 641 L CB -0.536 41.637 42.059 0.190 0.000 0.896 641 L HN 0.301 nan 8.230 nan 0.000 0.433 642 L N -0.071 121.239 121.223 0.145 0.000 2.017 642 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 642 L C 3.215 180.137 176.870 0.088 0.000 1.073 642 L CA 1.862 56.764 54.840 0.104 0.000 0.745 642 L CB -1.160 40.939 42.059 0.066 0.000 0.894 642 L HN 0.361 nan 8.230 nan 0.000 0.432 643 E N 0.684 120.934 120.200 0.083 0.000 2.077 643 E HA -0.263 4.087 4.350 -0.000 0.000 0.193 643 E C 1.898 178.532 176.600 0.057 0.000 0.989 643 E CA 1.657 58.094 56.400 0.062 0.000 0.800 643 E CB -0.723 29.013 29.700 0.061 0.000 0.746 643 E HN 0.694 nan 8.360 nan 0.000 0.452 644 E N -0.322 119.934 120.200 0.093 0.000 2.072 644 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 644 E C 2.307 178.830 176.600 -0.129 0.000 0.985 644 E CA 1.364 57.785 56.400 0.035 0.000 0.801 644 E CB -0.082 29.752 29.700 0.224 0.000 0.750 644 E HN 0.341 nan 8.360 nan 0.000 0.452 645 K N 1.760 122.134 120.400 -0.043 0.000 2.148 645 K HA -0.195 4.125 4.320 -0.000 0.000 0.204 645 K C 2.003 178.591 176.600 -0.020 0.000 1.050 645 K CA 1.367 57.627 56.287 -0.045 0.000 0.942 645 K CB -0.087 32.472 32.500 0.098 0.000 0.724 645 K HN 0.076 nan 8.250 nan 0.000 0.446 646 Q N -0.401 119.399 119.800 0.001 0.000 2.119 646 Q HA 0.023 4.363 4.340 -0.000 0.000 0.201 646 Q C 0.358 176.353 176.000 -0.008 0.000 0.972 646 Q CA 0.871 56.677 55.803 0.004 0.000 0.847 646 Q CB -0.128 28.618 28.738 0.015 0.000 0.903 646 Q HN 0.369 nan 8.270 nan 0.000 0.433 647 A N 0.000 122.808 122.820 -0.019 0.000 2.254 647 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 647 A CA 0.000 52.025 52.037 -0.020 0.000 0.836 647 A CB 0.000 18.993 19.000 -0.011 0.000 0.831 647 A HN 0.000 nan 8.150 nan 0.000 0.486