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 2p2q_1_A DATA FIRST_RESID 6 DATA SEQUENCE KHAIPANIAD RCLINPEQYE TKYKQSINDP DTFWGEQGKI LDWITPYQKV DATA SEQUENCE KNTSFAPGNV SIKWYEDGTL NLAANCLDRH LQENGDRTAI IWEGDDTSQS DATA SEQUENCE KHISYRELHR DVCRFANTLL DLGIKKGDVV AIYMPMVPEA AVAMLACARI DATA SEQUENCE GAVHSVIFGG FSPEAVAGRI IDSSSRLVIT ADEGVRAGRS IPLKKNVDDA DATA SEQUENCE LKNPNVTSVE HVIVLKRTGS DIDWQEGRDL WWRDLIEKAS PEHQPEAMNA DATA SEQUENCE EDPLFILYTS GSTGKPKGVL HTTGGYLVYA ATTFKYVFDY HPGDIYWCTA DATA SEQUENCE DVGWVTGHSY LLYGPLACGA TTLMFEGVPN WPTPARMCQV VDKHQVNILY DATA SEQUENCE TAPTAIRALM AEGDKAIEGT DRSSLRILGS VGEPINPEAW EWYWKKIGKE DATA SEQUENCE KCPVVDTWWQ TETGGFMITP LPGAIELKAG SATRPFFGVQ PALVDNEGHP DATA SEQUENCE QEGATEGNLV ITDSWPGQAR TLFGDHERFE QTYFSTFKNM YFSGDGARRD DATA SEQUENCE EDGYYWITGR VDDVLNVSGH RLGTAEIESA LVAHPKIAEA AVVGIPHAIK DATA SEQUENCE GQAIYAYVTL NHGEEPSPEL YAEVRNWVEK EIGPLATPDV LHWTDSLPKT DATA SEQUENCE RSGKIMRRIL RKIAAGDTSX XXXXXXXADP GVVEKLLEEK QA 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 6 K HA 0.000 nan 4.320 nan 0.000 0.191 6 K C 0.000 176.433 176.600 -0.278 0.000 0.988 6 K CA 0.000 56.177 56.287 -0.183 0.000 0.838 6 K CB 0.000 32.419 32.500 -0.136 0.000 1.064 7 H N 1.067 120.065 119.070 -0.120 0.000 2.556 7 H HA 0.317 4.873 4.556 -0.000 0.000 0.310 7 H C -0.157 175.181 175.328 0.017 0.000 1.057 7 H CA -0.399 55.609 56.048 -0.066 0.000 1.264 7 H CB 1.637 31.346 29.762 -0.087 0.000 1.404 7 H HN 0.722 nan 8.280 nan 0.000 0.462 8 A N 4.323 127.202 122.820 0.098 0.000 2.425 8 A HA 0.182 4.503 4.320 0.001 0.000 0.242 8 A C 0.564 178.233 177.584 0.142 0.000 1.077 8 A CA -0.413 51.681 52.037 0.096 0.000 0.781 8 A CB 0.007 19.046 19.000 0.065 0.000 1.020 8 A HN 0.726 nan 8.150 nan 0.000 0.494 9 I N 3.359 123.994 120.570 0.109 0.000 2.517 9 I HA 0.151 4.322 4.170 0.001 0.000 0.285 9 I C -1.499 174.679 176.117 0.102 0.000 1.106 9 I CA -1.042 60.322 61.300 0.107 0.000 1.402 9 I CB 0.468 38.515 38.000 0.078 0.000 1.399 9 I HN 0.514 nan 8.210 nan 0.000 0.535 10 P HA 0.143 nan 4.420 nan 0.000 0.275 10 P C 0.411 177.747 177.300 0.060 0.000 1.228 10 P CA -0.412 62.743 63.100 0.091 0.000 0.786 10 P CB 1.315 33.071 31.700 0.094 0.000 0.927 11 A N 3.909 126.758 122.820 0.047 0.000 1.927 11 A HA -0.282 4.038 4.320 0.001 0.000 0.220 11 A C 2.003 179.601 177.584 0.024 0.000 1.185 11 A CA 2.249 54.306 52.037 0.033 0.000 0.639 11 A CB -1.390 17.625 19.000 0.026 0.000 0.820 11 A HN 0.789 nan 8.150 nan 0.000 0.451 12 N N 0.316 119.025 118.700 0.015 0.000 2.104 12 N HA -0.172 4.569 4.740 0.001 0.000 0.190 12 N C 1.521 177.031 175.510 -0.000 0.000 1.024 12 N CA 2.021 55.070 53.050 -0.001 0.000 0.853 12 N CB -0.540 37.939 38.487 -0.013 0.000 1.008 12 N HN 0.399 nan 8.380 nan 0.000 0.424 13 I N 1.851 122.432 120.570 0.017 0.000 2.252 13 I HA -0.057 4.113 4.170 0.001 0.000 0.245 13 I C 2.791 178.934 176.117 0.043 0.000 1.102 13 I CA 0.785 62.103 61.300 0.030 0.000 1.385 13 I CB -1.733 36.296 38.000 0.048 0.000 1.064 13 I HN 0.189 nan 8.210 nan 0.000 0.414 14 A N 0.785 123.632 122.820 0.045 0.000 1.917 14 A HA -0.250 4.070 4.320 0.001 0.000 0.219 14 A C 1.949 179.561 177.584 0.045 0.000 1.182 14 A CA 2.212 54.278 52.037 0.048 0.000 0.633 14 A CB -0.692 18.335 19.000 0.044 0.000 0.819 14 A HN 0.370 nan 8.150 nan 0.000 0.448 15 D N -1.095 119.325 120.400 0.033 0.000 2.269 15 D HA -0.090 4.550 4.640 0.001 0.000 0.208 15 D C 1.988 178.310 176.300 0.037 0.000 0.963 15 D CA 1.447 55.464 54.000 0.028 0.000 0.864 15 D CB -0.097 40.711 40.800 0.013 0.000 0.936 15 D HN 0.826 nan 8.370 nan 0.000 0.505 16 R N -0.049 120.474 120.500 0.038 0.000 2.487 16 R HA 0.143 4.483 4.340 0.001 0.000 0.272 16 R C 0.748 177.162 176.300 0.190 0.000 0.928 16 R CA -0.230 55.904 56.100 0.057 0.000 1.077 16 R CB -0.678 29.548 30.300 -0.123 0.000 1.265 16 R HN 0.125 nan 8.270 nan 0.000 0.537 17 C N 0.587 119.975 119.300 0.147 0.000 2.662 17 C HA 0.320 4.780 4.460 0.001 0.000 0.420 17 C C 1.839 176.931 174.990 0.169 0.000 1.314 17 C CA -0.888 58.236 59.018 0.178 0.000 1.963 17 C CB 0.121 27.932 27.740 0.118 0.000 2.686 17 C HN 0.491 nan 8.230 nan 0.000 0.609 18 L N 1.836 123.167 121.223 0.180 0.000 2.156 18 L HA 0.130 4.471 4.340 0.001 0.000 0.208 18 L C 0.648 177.560 176.870 0.071 0.000 1.095 18 L CA 1.042 55.961 54.840 0.133 0.000 0.770 18 L CB -0.322 41.858 42.059 0.201 0.000 0.914 18 L HN 0.655 nan 8.230 nan 0.000 0.439 19 I N 0.829 121.439 120.570 0.066 0.000 2.439 19 I HA 0.178 4.349 4.170 0.001 0.000 0.285 19 I C -0.484 175.678 176.117 0.075 0.000 1.021 19 I CA -0.743 60.576 61.300 0.031 0.000 1.091 19 I CB 1.141 39.151 38.000 0.016 0.000 1.242 19 I HN 0.126 nan 8.210 nan 0.000 0.439 20 N N 7.722 126.465 118.700 0.071 0.000 2.405 20 N HA 0.483 5.223 4.740 0.001 0.000 0.269 20 N C -2.340 173.233 175.510 0.106 0.000 1.249 20 N CA -1.614 51.482 53.050 0.077 0.000 0.974 20 N CB -0.057 38.467 38.487 0.062 0.000 1.204 20 N HN 0.108 nan 8.380 nan 0.000 0.565 21 P HA -0.105 nan 4.420 nan 0.000 0.215 21 P C 0.648 178.042 177.300 0.157 0.000 1.153 21 P CA 1.604 64.779 63.100 0.124 0.000 0.853 21 P CB 0.154 31.905 31.700 0.086 0.000 0.788 22 E N -0.420 119.840 120.200 0.101 0.000 2.072 22 E HA -0.178 4.173 4.350 0.001 0.000 0.191 22 E C 2.178 178.814 176.600 0.060 0.000 0.985 22 E CA 1.230 57.674 56.400 0.075 0.000 0.801 22 E CB -0.904 28.824 29.700 0.046 0.000 0.750 22 E HN 0.379 nan 8.360 nan 0.000 0.452 23 Q N -0.840 118.994 119.800 0.057 0.000 2.124 23 Q HA -0.179 4.161 4.340 0.001 0.000 0.202 23 Q C 1.931 177.951 176.000 0.032 0.000 0.977 23 Q CA 1.396 57.206 55.803 0.011 0.000 0.850 23 Q CB -0.286 28.449 28.738 -0.005 0.000 0.901 23 Q HN 0.403 nan 8.270 nan 0.000 0.429 24 Y N 1.711 122.054 120.300 0.073 0.000 2.181 24 Y HA -0.230 4.320 4.550 0.001 0.000 0.288 24 Y C 2.031 178.048 175.900 0.195 0.000 1.146 24 Y CA 1.438 59.665 58.100 0.211 0.000 1.164 24 Y CB 0.125 38.664 38.460 0.132 0.000 0.982 24 Y HN -0.002 nan 8.280 nan 0.000 0.515 25 E N -0.231 119.986 120.200 0.029 0.000 2.051 25 E HA -0.156 4.194 4.350 0.001 0.000 0.192 25 E C 2.197 178.739 176.600 -0.096 0.000 0.991 25 E CA 1.908 58.285 56.400 -0.039 0.000 0.799 25 E CB -0.661 29.089 29.700 0.084 0.000 0.748 25 E HN 0.521 nan 8.360 nan 0.000 0.449 26 T N 1.655 116.156 114.554 -0.088 0.000 2.674 26 T HA -0.111 4.239 4.350 0.001 0.000 0.265 26 T C 1.913 176.484 174.700 -0.216 0.000 1.039 26 T CA 1.328 63.361 62.100 -0.113 0.000 1.150 26 T CB -0.074 68.745 68.868 -0.082 0.000 0.864 26 T HN 0.133 nan 8.240 nan 0.000 0.427 27 K N -0.067 120.133 120.400 -0.332 0.000 2.057 27 K HA -0.069 4.251 4.320 0.001 0.000 0.206 27 K C 2.172 178.297 176.600 -0.792 0.000 1.050 27 K CA 1.114 57.040 56.287 -0.601 0.000 0.935 27 K CB -0.329 31.542 32.500 -1.049 0.000 0.715 27 K HN 0.339 nan 8.250 nan 0.000 0.439 28 Y N 2.286 122.205 120.300 -0.634 0.000 2.128 28 Y HA -0.344 4.203 4.550 -0.005 0.000 0.284 28 Y C 2.557 178.239 175.900 -0.364 0.000 1.154 28 Y CA 2.767 60.603 58.100 -0.440 0.000 1.149 28 Y CB -0.465 37.629 38.460 -0.610 0.000 0.976 28 Y HN 0.011 nan 8.280 nan 0.000 0.505 29 K N 0.523 120.752 120.400 -0.285 0.000 2.057 29 K HA -0.228 4.093 4.320 0.001 0.000 0.207 29 K C 2.111 178.536 176.600 -0.290 0.000 1.049 29 K CA 1.832 57.983 56.287 -0.227 0.000 0.931 29 K CB -1.104 31.348 32.500 -0.080 0.000 0.714 29 K HN 0.704 nan 8.250 nan 0.000 0.440 30 Q N 0.670 120.284 119.800 -0.310 0.000 2.084 30 Q HA -0.168 4.172 4.340 0.001 0.000 0.202 30 Q C 2.388 178.168 176.000 -0.366 0.000 0.978 30 Q CA 2.204 57.862 55.803 -0.241 0.000 0.844 30 Q CB -0.218 28.458 28.738 -0.103 0.000 0.898 30 Q HN 0.765 nan 8.270 nan 0.000 0.426 31 S N -0.143 115.054 115.700 -0.838 0.000 2.420 31 S HA -0.156 4.315 4.470 0.001 0.000 0.237 31 S C 1.717 176.094 174.600 -0.372 0.000 1.023 31 S CA 1.206 58.824 58.200 -0.971 0.000 0.991 31 S CB -0.248 62.102 63.200 -1.417 0.000 0.792 31 S HN 0.404 nan 8.310 nan 0.000 0.488 32 I N 1.933 122.270 120.570 -0.388 0.000 2.729 32 I HA 0.126 4.296 4.170 0.001 0.000 0.256 32 I C 1.899 177.961 176.117 -0.092 0.000 1.115 32 I CA 0.502 61.675 61.300 -0.212 0.000 1.446 32 I CB -1.589 36.230 38.000 -0.302 0.000 1.176 32 I HN 0.263 nan 8.210 nan 0.000 0.446 33 N N 0.791 119.425 118.700 -0.110 0.000 2.270 33 N HA -0.112 4.628 4.740 0.001 0.000 0.181 33 N C 0.337 175.836 175.510 -0.019 0.000 1.016 33 N CA 1.135 54.155 53.050 -0.050 0.000 0.870 33 N CB 0.061 38.517 38.487 -0.053 0.000 0.979 33 N HN 0.288 nan 8.380 nan 0.000 0.431 34 D N -1.023 119.369 120.400 -0.014 0.000 2.517 34 D HA 0.256 4.896 4.640 0.001 0.000 0.263 34 D C -2.200 174.162 176.300 0.104 0.000 1.233 34 D CA -1.844 52.178 54.000 0.036 0.000 0.849 34 D CB 1.184 42.002 40.800 0.030 0.000 1.261 34 D HN -0.125 nan 8.370 nan 0.000 0.516 35 P HA -0.056 nan 4.420 nan 0.000 0.218 35 P C 0.827 178.372 177.300 0.409 0.000 1.149 35 P CA 0.775 64.093 63.100 0.363 0.000 0.817 35 P CB 0.546 32.467 31.700 0.369 0.000 0.785 36 D N -1.471 119.062 120.400 0.221 0.000 2.103 36 D HA -0.080 4.561 4.640 0.001 0.000 0.199 36 D C 1.907 178.324 176.300 0.194 0.000 0.978 36 D CA 1.417 55.525 54.000 0.179 0.000 0.829 36 D CB -0.934 39.910 40.800 0.072 0.000 0.981 36 D HN 0.091 nan 8.370 nan 0.000 0.464 37 T N 0.717 115.357 114.554 0.143 0.000 2.746 37 T HA -0.138 4.212 4.350 0.001 0.000 0.267 37 T C 1.742 176.502 174.700 0.101 0.000 1.039 37 T CA 0.681 62.845 62.100 0.107 0.000 1.142 37 T CB -0.470 68.437 68.868 0.065 0.000 0.866 37 T HN 0.091 nan 8.240 nan 0.000 0.444 38 F N 0.393 120.325 119.950 -0.029 0.000 2.026 38 F HA -0.118 4.404 4.527 -0.009 0.000 0.296 38 F C 1.878 177.605 175.800 -0.123 0.000 1.133 38 F CA 1.422 59.312 58.000 -0.183 0.000 1.188 38 F CB -0.443 38.329 39.000 -0.380 0.000 0.968 38 F HN 0.201 nan 8.300 nan 0.000 0.476 39 W N 0.270 121.783 121.300 0.355 0.000 2.519 39 W HA 0.085 4.752 4.660 0.012 0.000 0.266 39 W C 2.563 179.279 176.519 0.329 0.000 1.253 39 W CA 0.787 58.338 57.345 0.344 0.000 1.274 39 W CB -1.086 28.675 29.460 0.502 0.000 1.114 39 W HN 0.167 nan 8.180 nan 0.000 0.596 40 G N 0.688 109.755 108.800 0.445 0.000 2.446 40 G HA2 -0.280 3.680 3.960 0.001 0.000 0.217 40 G HA3 -0.280 3.680 3.960 0.001 0.000 0.217 40 G C 1.266 176.348 174.900 0.302 0.000 1.168 40 G CA 1.293 46.646 45.100 0.421 0.000 0.771 40 G HN 0.295 nan 8.290 nan 0.000 0.551 41 E N -0.642 119.622 120.200 0.107 0.000 2.046 41 E HA -0.101 4.250 4.350 0.001 0.000 0.190 41 E C 2.548 179.150 176.600 0.003 0.000 0.982 41 E CA 0.936 57.338 56.400 0.003 0.000 0.800 41 E CB -0.088 29.541 29.700 -0.118 0.000 0.756 41 E HN 0.308 nan 8.360 nan 0.000 0.449 42 Q N 0.320 120.068 119.800 -0.087 0.000 2.224 42 Q HA -0.065 4.276 4.340 0.001 0.000 0.203 42 Q C 1.897 178.036 176.000 0.231 0.000 0.970 42 Q CA 1.510 57.300 55.803 -0.022 0.000 0.865 42 Q CB -0.587 27.986 28.738 -0.276 0.000 0.922 42 Q HN 0.302 nan 8.270 nan 0.000 0.445 43 G N 0.249 109.246 108.800 0.327 0.000 2.501 43 G HA2 -0.224 3.736 3.960 0.001 0.000 0.220 43 G HA3 -0.224 3.736 3.960 0.001 0.000 0.220 43 G C 1.140 176.259 174.900 0.365 0.000 1.114 43 G CA 0.500 45.740 45.100 0.233 0.000 0.757 43 G HN 0.247 nan 8.290 nan 0.000 0.559 44 K N 0.031 120.588 120.400 0.262 0.000 2.525 44 K HA 0.157 4.477 4.320 0.001 0.000 0.192 44 K C 1.957 178.668 176.600 0.185 0.000 1.029 44 K CA -0.120 56.302 56.287 0.225 0.000 1.029 44 K CB -0.009 32.561 32.500 0.117 0.000 0.814 44 K HN 0.440 nan 8.250 nan 0.000 0.503 45 I N 1.031 121.702 120.570 0.168 0.000 2.700 45 I HA -0.155 4.015 4.170 0.001 0.000 0.261 45 I C 0.239 176.408 176.117 0.087 0.000 1.219 45 I CA 0.718 62.083 61.300 0.109 0.000 1.463 45 I CB 0.265 38.317 38.000 0.087 0.000 1.092 45 I HN 0.008 nan 8.210 nan 0.000 0.452 46 L N 0.147 121.447 121.223 0.128 0.000 2.322 46 L HA 0.390 4.730 4.340 0.001 0.000 0.269 46 L C -0.702 176.174 176.870 0.010 0.000 1.012 46 L CA -1.131 53.700 54.840 -0.016 0.000 0.815 46 L CB 1.018 42.954 42.059 -0.205 0.000 1.295 46 L HN -0.164 nan 8.230 nan 0.000 0.438 47 D N 0.516 120.837 120.400 -0.132 0.000 2.308 47 D HA 0.270 4.911 4.640 0.001 0.000 0.251 47 D C -1.109 175.050 176.300 -0.235 0.000 1.127 47 D CA 0.282 54.236 54.000 -0.077 0.000 0.876 47 D CB 0.768 41.511 40.800 -0.096 0.000 1.176 47 D HN 0.151 nan 8.370 nan 0.000 0.446 48 W N 2.084 123.372 121.300 -0.020 0.000 2.573 48 W HA 0.405 5.065 4.660 0.000 0.000 0.326 48 W C 1.161 177.670 176.519 -0.016 0.000 1.049 48 W CA -0.670 56.670 57.345 -0.007 0.000 1.220 48 W CB 0.729 30.181 29.460 -0.012 0.000 1.373 48 W HN 0.322 nan 8.180 nan 0.000 0.507 49 I N 1.188 121.859 120.570 0.168 0.000 2.162 49 I HA -0.101 4.070 4.170 0.001 0.000 0.238 49 I C 1.521 177.707 176.117 0.115 0.000 1.076 49 I CA 1.146 62.507 61.300 0.102 0.000 1.353 49 I CB -0.420 37.614 38.000 0.057 0.000 1.063 49 I HN 0.379 nan 8.210 nan 0.000 0.408 50 T N 1.404 116.048 114.554 0.150 0.000 2.758 50 T HA 0.384 4.735 4.350 0.001 0.000 0.285 50 T C -2.580 172.209 174.700 0.147 0.000 0.981 50 T CA -2.381 59.789 62.100 0.116 0.000 0.965 50 T CB 1.412 70.330 68.868 0.083 0.000 0.927 50 T HN -0.137 nan 8.240 nan 0.000 0.448 51 P HA 0.061 nan 4.420 nan 0.000 0.265 51 P C -0.423 176.728 177.300 -0.248 0.000 1.187 51 P CA -0.106 62.856 63.100 -0.231 0.000 0.766 51 P CB 0.015 31.548 31.700 -0.278 0.000 0.820 52 Y N 0.618 120.755 120.300 -0.271 0.000 2.326 52 Y HA 0.300 4.849 4.550 -0.001 0.000 0.333 52 Y C 1.472 177.307 175.900 -0.109 0.000 1.240 52 Y CA -0.450 57.542 58.100 -0.181 0.000 1.365 52 Y CB -0.063 38.248 38.460 -0.247 0.000 1.289 52 Y HN 0.308 nan 8.280 nan 0.000 0.548 53 Q N 0.815 120.689 119.800 0.124 0.000 2.548 53 Q HA 0.229 4.569 4.340 0.001 0.000 0.230 53 Q C -0.226 175.858 176.000 0.141 0.000 0.899 53 Q CA 0.291 56.144 55.803 0.084 0.000 0.936 53 Q CB 0.372 29.126 28.738 0.027 0.000 1.114 53 Q HN 0.624 nan 8.270 nan 0.000 0.606 54 K N -0.025 120.438 120.400 0.104 0.000 2.258 54 K HA 0.210 4.531 4.320 0.001 0.000 0.264 54 K C -0.016 176.584 176.600 -0.001 0.000 1.007 54 K CA -0.189 56.112 56.287 0.023 0.000 0.941 54 K CB 1.443 33.924 32.500 -0.033 0.000 0.966 54 K HN -0.088 nan 8.250 nan 0.000 0.480 55 V N 1.035 120.872 119.914 -0.128 0.000 3.938 55 V HA 0.068 4.188 4.120 0.001 0.000 0.193 55 V C -0.101 175.638 176.094 -0.592 0.000 1.148 55 V CA 0.092 62.213 62.300 -0.298 0.000 1.354 55 V CB 0.170 31.953 31.823 -0.067 0.000 1.627 55 V HN 0.618 nan 8.190 nan 0.000 0.512 56 K N 2.095 122.116 120.400 -0.632 0.000 2.234 56 K HA 0.330 4.651 4.320 0.001 0.000 0.277 56 K C -0.881 175.295 176.600 -0.706 0.000 1.038 56 K CA -0.074 55.546 56.287 -1.113 0.000 0.888 56 K CB 0.444 32.423 32.500 -0.870 0.000 1.091 56 K HN 0.396 nan 8.250 nan 0.000 0.467 57 N N 3.043 121.282 118.700 -0.768 0.000 2.722 57 N HA 0.091 4.831 4.740 0.001 0.000 0.242 57 N C -1.941 173.329 175.510 -0.401 0.000 1.398 57 N CA -0.330 52.452 53.050 -0.446 0.000 0.755 57 N CB 1.171 39.471 38.487 -0.312 0.000 1.268 57 N HN 0.667 nan 8.380 nan 0.000 0.522 58 T N -1.582 112.750 114.554 -0.370 0.000 2.896 58 T HA 0.803 5.153 4.350 0.001 0.000 0.297 58 T C -1.009 173.561 174.700 -0.216 0.000 1.108 58 T CA -0.682 61.249 62.100 -0.280 0.000 1.004 58 T CB 1.832 70.511 68.868 -0.314 0.000 1.159 58 T HN 0.076 nan 8.240 nan 0.000 0.499 59 S N 0.484 116.103 115.700 -0.134 0.000 2.566 59 S HA 0.537 5.008 4.470 0.001 0.000 0.273 59 S C -0.729 173.929 174.600 0.096 0.000 1.157 59 S CA -0.860 57.292 58.200 -0.080 0.000 0.938 59 S CB 0.798 63.974 63.200 -0.040 0.000 1.087 59 S HN 0.727 nan 8.310 nan 0.000 0.474 60 F N 2.067 121.973 119.950 -0.075 0.000 2.664 60 F HA 0.331 4.859 4.527 0.001 0.000 0.303 60 F C 1.506 177.277 175.800 -0.049 0.000 1.092 60 F CA -0.556 57.364 58.000 -0.133 0.000 1.305 60 F CB 0.367 39.447 39.000 0.133 0.000 1.054 60 F HN 0.667 nan 8.300 nan 0.000 0.565 61 A N 2.718 125.623 122.820 0.141 0.000 2.511 61 A HA 0.183 4.504 4.320 0.001 0.000 0.242 61 A C -2.195 175.435 177.584 0.076 0.000 1.069 61 A CA -1.098 51.001 52.037 0.103 0.000 0.763 61 A CB -0.505 18.534 19.000 0.065 0.000 1.001 61 A HN -0.049 nan 8.150 nan 0.000 0.498 62 P HA 0.191 nan 4.420 nan 0.000 0.275 62 P C 0.245 177.577 177.300 0.052 0.000 1.227 62 P CA 0.210 63.350 63.100 0.066 0.000 0.781 62 P CB 0.917 32.658 31.700 0.068 0.000 0.906 63 G N 2.105 110.933 108.800 0.048 0.000 3.964 63 G HA2 0.087 4.048 3.960 0.001 0.000 0.289 63 G HA3 0.087 4.048 3.960 0.001 0.000 0.289 63 G C 0.222 175.159 174.900 0.062 0.000 1.176 63 G CA -0.162 44.972 45.100 0.056 0.000 1.553 63 G HN 0.459 nan 8.290 nan 0.000 0.588 64 N N 1.292 120.025 118.700 0.054 0.000 2.646 64 N HA 0.096 4.837 4.740 0.001 0.000 0.303 64 N C -0.394 175.144 175.510 0.047 0.000 1.921 64 N CA -0.137 52.944 53.050 0.051 0.000 0.872 64 N CB 1.555 40.060 38.487 0.031 0.000 1.327 64 N HN 0.009 nan 8.380 nan 0.000 0.492 65 V N 1.214 121.164 119.914 0.060 0.000 2.439 65 V HA 0.276 4.397 4.120 0.001 0.000 0.271 65 V C 0.407 176.605 176.094 0.173 0.000 1.040 65 V CA 0.062 62.362 62.300 0.000 0.000 1.002 65 V CB 0.826 32.488 31.823 -0.268 0.000 1.000 65 V HN 0.350 nan 8.190 nan 0.000 0.477 66 S N 6.543 122.293 115.700 0.084 0.000 2.668 66 S HA 0.692 5.162 4.470 0.001 0.000 0.277 66 S C -1.111 173.500 174.600 0.018 0.000 1.170 66 S CA -0.573 57.656 58.200 0.049 0.000 0.994 66 S CB 0.845 64.036 63.200 -0.016 0.000 1.051 66 S HN 0.503 nan 8.310 nan 0.000 0.484 67 I N 4.480 125.071 120.570 0.034 0.000 2.411 67 I HA 0.512 4.683 4.170 0.001 0.000 0.284 67 I C -0.415 175.689 176.117 -0.023 0.000 1.012 67 I CA -0.393 60.922 61.300 0.024 0.000 1.119 67 I CB 1.750 39.826 38.000 0.127 0.000 1.261 67 I HN 0.435 nan 8.210 nan 0.000 0.448 68 K N 5.070 125.379 120.400 -0.152 0.000 2.468 68 K HA 0.585 4.906 4.320 0.001 0.000 0.252 68 K C -1.906 174.460 176.600 -0.389 0.000 0.932 68 K CA -0.671 55.528 56.287 -0.147 0.000 0.794 68 K CB 2.385 34.803 32.500 -0.137 0.000 1.241 68 K HN 0.345 nan 8.250 nan 0.000 0.428 69 W N 2.290 123.486 121.300 -0.175 0.000 2.957 69 W HA 0.277 4.936 4.660 -0.002 0.000 0.336 69 W C -0.590 175.813 176.519 -0.193 0.000 1.087 69 W CA -0.215 56.924 57.345 -0.342 0.000 1.235 69 W CB 0.847 30.072 29.460 -0.392 0.000 1.399 69 W HN 0.658 nan 8.180 nan 0.000 0.480 70 Y N 0.516 120.815 120.300 -0.001 0.000 3.589 70 Y HA -0.393 4.156 4.550 -0.001 0.000 0.218 70 Y C 1.968 177.881 175.900 0.021 0.000 1.234 70 Y CA 1.124 59.115 58.100 -0.181 0.000 1.576 70 Y CB -1.286 36.995 38.460 -0.298 0.000 1.487 70 Y HN 0.641 nan 8.280 nan 0.000 0.616 71 E N 1.041 121.303 120.200 0.103 0.000 2.204 71 E HA -0.214 4.136 4.350 0.001 0.000 0.195 71 E C 1.209 177.887 176.600 0.130 0.000 0.990 71 E CA 1.625 58.088 56.400 0.106 0.000 0.821 71 E CB -0.079 29.628 29.700 0.012 0.000 0.750 71 E HN 0.657 nan 8.360 nan 0.000 0.477 72 D N 0.860 121.339 120.400 0.131 0.000 2.325 72 D HA 0.135 4.775 4.640 0.001 0.000 0.225 72 D C 0.535 176.940 176.300 0.174 0.000 1.096 72 D CA 0.053 54.127 54.000 0.123 0.000 0.844 72 D CB 0.126 40.973 40.800 0.078 0.000 0.925 72 D HN 0.188 nan 8.370 nan 0.000 0.513 73 G N -0.229 108.735 108.800 0.274 0.000 2.410 73 G HA2 0.543 4.503 3.960 0.001 0.000 0.330 73 G HA3 0.543 4.503 3.960 0.001 0.000 0.330 73 G C -0.354 174.848 174.900 0.504 0.000 1.142 73 G CA -0.532 44.804 45.100 0.393 0.000 0.902 73 G HN 0.197 nan 8.290 nan 0.000 0.491 74 T N -1.372 113.478 114.554 0.493 0.000 2.907 74 T HA 0.777 5.128 4.350 0.001 0.000 0.292 74 T C -0.400 174.430 174.700 0.217 0.000 1.043 74 T CA -0.617 61.664 62.100 0.302 0.000 1.003 74 T CB 1.615 70.583 68.868 0.168 0.000 1.084 74 T HN 1.384 nan 8.240 nan 0.000 0.483 75 L N -0.613 120.607 121.223 -0.005 0.000 2.999 75 L HA 0.799 5.139 4.340 0.001 0.000 0.274 75 L C -1.884 174.897 176.870 -0.149 0.000 1.044 75 L CA -1.242 53.471 54.840 -0.212 0.000 0.943 75 L CB 1.917 43.562 42.059 -0.691 0.000 1.522 75 L HN 0.784 nan 8.230 nan 0.000 0.400 76 N N -0.178 118.423 118.700 -0.165 0.000 2.346 76 N HA 0.461 5.202 4.740 0.001 0.000 0.289 76 N C 0.159 175.593 175.510 -0.125 0.000 1.027 76 N CA -0.765 52.226 53.050 -0.099 0.000 0.864 76 N CB 2.318 40.783 38.487 -0.036 0.000 1.370 76 N HN 0.863 nan 8.380 nan 0.000 0.481 77 L N 3.832 124.990 121.223 -0.109 0.000 2.017 77 L HA 0.032 4.373 4.340 0.001 0.000 0.208 77 L C 1.994 178.838 176.870 -0.043 0.000 1.073 77 L CA 1.944 56.714 54.840 -0.117 0.000 0.745 77 L CB -0.253 41.703 42.059 -0.171 0.000 0.894 77 L HN 0.771 nan 8.230 nan 0.000 0.432 78 A N -0.224 122.600 122.820 0.006 0.000 1.902 78 A HA -0.157 4.163 4.320 0.001 0.000 0.217 78 A C 2.436 180.071 177.584 0.085 0.000 1.181 78 A CA 1.619 53.701 52.037 0.075 0.000 0.623 78 A CB -1.046 18.008 19.000 0.089 0.000 0.818 78 A HN 0.584 nan 8.150 nan 0.000 0.443 79 A N 0.037 122.882 122.820 0.041 0.000 1.972 79 A HA -0.193 4.127 4.320 0.001 0.000 0.219 79 A C 1.943 179.491 177.584 -0.060 0.000 1.169 79 A CA 1.635 53.679 52.037 0.012 0.000 0.635 79 A CB -0.582 18.408 19.000 -0.017 0.000 0.810 79 A HN 0.599 nan 8.150 nan 0.000 0.446 80 N N -0.798 117.857 118.700 -0.075 0.000 2.354 80 N HA -0.079 4.661 4.740 0.001 0.000 0.179 80 N C 1.241 176.749 175.510 -0.004 0.000 1.021 80 N CA 1.362 54.345 53.050 -0.111 0.000 0.887 80 N CB -0.158 38.249 38.487 -0.133 0.000 0.974 80 N HN 0.501 nan 8.380 nan 0.000 0.437 81 C N -0.286 119.082 119.300 0.113 0.000 2.780 81 C HA 0.359 4.819 4.460 0.001 0.000 0.267 81 C C 2.091 177.360 174.990 0.465 0.000 1.266 81 C CA -0.190 58.998 59.018 0.285 0.000 1.709 81 C CB -0.583 27.291 27.740 0.224 0.000 1.975 81 C HN 0.306 nan 8.230 nan 0.000 0.582 82 L N -0.967 120.457 121.223 0.336 0.000 2.923 82 L HA 0.232 4.572 4.340 0.001 0.000 0.161 82 L C 1.569 178.542 176.870 0.171 0.000 1.202 82 L CA 0.162 55.242 54.840 0.401 0.000 0.920 82 L CB -0.797 41.485 42.059 0.373 0.000 1.773 82 L HN -0.138 nan 8.230 nan 0.000 0.532 83 D N 1.389 121.843 120.400 0.091 0.000 2.149 83 D HA -0.227 4.414 4.640 0.001 0.000 0.194 83 D C 1.967 178.169 176.300 -0.164 0.000 1.001 83 D CA 1.895 55.846 54.000 -0.082 0.000 0.849 83 D CB -0.216 40.597 40.800 0.021 0.000 0.939 83 D HN 0.346 nan 8.370 nan 0.000 0.449 84 R N -0.153 120.200 120.500 -0.245 0.000 2.235 84 R HA -0.018 4.322 4.340 0.001 0.000 0.213 84 R C 1.266 177.333 176.300 -0.387 0.000 1.059 84 R CA 1.016 56.919 56.100 -0.328 0.000 0.997 84 R CB -0.425 29.647 30.300 -0.379 0.000 0.884 84 R HN 0.338 nan 8.270 nan 0.000 0.462 85 H N 0.520 119.495 119.070 -0.158 0.000 2.548 85 H HA 0.143 4.699 4.556 -0.000 0.000 0.265 85 H C 1.901 177.108 175.328 -0.202 0.000 0.969 85 H CA 0.441 56.327 56.048 -0.271 0.000 1.155 85 H CB 0.276 29.656 29.762 -0.636 0.000 1.394 85 H HN 0.209 nan 8.280 nan 0.000 0.570 86 L N 0.469 121.649 121.223 -0.071 0.000 2.027 86 L HA -0.202 4.138 4.340 0.001 0.000 0.206 86 L C 2.780 179.625 176.870 -0.040 0.000 1.074 86 L CA 1.310 56.115 54.840 -0.059 0.000 0.745 86 L CB -0.381 41.585 42.059 -0.155 0.000 0.898 86 L HN 0.219 nan 8.230 nan 0.000 0.433 87 Q N 0.223 119.992 119.800 -0.052 0.000 2.045 87 Q HA -0.249 4.092 4.340 0.001 0.000 0.206 87 Q C 1.904 177.896 176.000 -0.013 0.000 0.991 87 Q CA 1.989 57.773 55.803 -0.031 0.000 0.851 87 Q CB 0.129 28.846 28.738 -0.034 0.000 0.911 87 Q HN 0.341 nan 8.270 nan 0.000 0.418 88 E N -0.874 119.318 120.200 -0.012 0.000 2.389 88 E HA 0.091 4.442 4.350 0.001 0.000 0.199 88 E C 0.264 176.868 176.600 0.006 0.000 0.978 88 E CA 0.409 56.809 56.400 0.001 0.000 0.912 88 E CB 0.473 30.175 29.700 0.003 0.000 0.907 88 E HN 0.455 nan 8.360 nan 0.000 0.494 89 N N -0.280 118.416 118.700 -0.007 0.000 2.365 89 N HA 0.115 4.856 4.740 0.001 0.000 0.257 89 N C 1.194 176.720 175.510 0.028 0.000 1.287 89 N CA 0.186 53.231 53.050 -0.008 0.000 0.882 89 N CB 1.173 39.618 38.487 -0.070 0.000 1.250 89 N HN 0.046 nan 8.380 nan 0.000 0.507 90 G N 0.693 109.521 108.800 0.047 0.000 2.469 90 G HA2 -0.272 3.688 3.960 0.001 0.000 0.220 90 G HA3 -0.272 3.688 3.960 0.001 0.000 0.220 90 G C 1.106 176.091 174.900 0.142 0.000 1.136 90 G CA 1.033 46.192 45.100 0.099 0.000 0.759 90 G HN 0.243 nan 8.290 nan 0.000 0.562 91 D N -0.473 119.993 120.400 0.109 0.000 2.347 91 D HA 0.043 4.684 4.640 0.001 0.000 0.213 91 D C 1.455 177.838 176.300 0.138 0.000 0.985 91 D CA -0.087 53.978 54.000 0.109 0.000 0.879 91 D CB 0.069 40.914 40.800 0.075 0.000 0.919 91 D HN 0.272 nan 8.370 nan 0.000 0.526 92 R N 0.923 121.526 120.500 0.172 0.000 2.623 92 R HA 0.042 4.382 4.340 0.001 0.000 0.271 92 R C -0.365 176.100 176.300 0.275 0.000 1.043 92 R CA 0.265 56.496 56.100 0.219 0.000 1.083 92 R CB 0.344 30.776 30.300 0.219 0.000 0.974 92 R HN -0.199 nan 8.270 nan 0.000 0.436 93 T N 4.465 119.144 114.554 0.209 0.000 2.769 93 T HA 0.146 4.496 4.350 0.001 0.000 0.293 93 T C 1.023 175.751 174.700 0.046 0.000 0.931 93 T CA 0.134 62.316 62.100 0.137 0.000 1.139 93 T CB 1.366 70.339 68.868 0.176 0.000 0.881 93 T HN 0.761 nan 8.240 nan 0.000 0.532 94 A N 4.596 127.280 122.820 -0.228 0.000 1.855 94 A HA 0.302 4.622 4.320 0.001 0.000 0.213 94 A C 0.805 178.209 177.584 -0.299 0.000 1.195 94 A CA 0.614 52.256 52.037 -0.659 0.000 0.610 94 A CB -0.003 18.248 19.000 -1.248 0.000 0.837 94 A HN 0.770 nan 8.150 nan 0.000 0.444 95 I N 0.450 120.893 120.570 -0.213 0.000 2.436 95 I HA 0.338 4.508 4.170 0.001 0.000 0.289 95 I C -1.158 174.863 176.117 -0.160 0.000 1.010 95 I CA -0.424 60.791 61.300 -0.143 0.000 1.098 95 I CB 1.981 39.911 38.000 -0.117 0.000 1.266 95 I HN 0.128 nan 8.210 nan 0.000 0.434 96 I N 5.207 125.640 120.570 -0.227 0.000 2.312 96 I HA 0.130 4.301 4.170 0.001 0.000 0.291 96 I C -0.905 175.046 176.117 -0.278 0.000 1.031 96 I CA -0.198 60.841 61.300 -0.435 0.000 1.293 96 I CB 0.712 38.307 38.000 -0.675 0.000 1.403 96 I HN 0.570 nan 8.210 nan 0.000 0.484 97 W N 7.782 128.862 121.300 -0.367 0.000 2.329 97 W HA 0.405 5.065 4.660 0.000 0.000 0.312 97 W C -0.200 176.205 176.519 -0.189 0.000 1.054 97 W CA -0.612 56.593 57.345 -0.234 0.000 1.245 97 W CB 1.064 30.430 29.460 -0.158 0.000 1.255 97 W HN 0.354 nan 8.180 nan 0.000 0.436 98 E N 4.184 123.922 120.200 -0.769 0.000 2.133 98 E HA 0.550 4.901 4.350 0.001 0.000 0.274 98 E C 0.226 176.216 176.600 -1.016 0.000 0.930 98 E CA -0.569 55.462 56.400 -0.616 0.000 0.770 98 E CB 1.167 30.694 29.700 -0.289 0.000 1.104 98 E HN 0.522 nan 8.360 nan 0.000 0.403 99 G N 3.331 111.491 108.800 -1.068 0.000 2.503 99 G HA2 0.029 3.989 3.960 0.001 0.000 0.257 99 G HA3 0.029 3.989 3.960 0.001 0.000 0.257 99 G C 0.587 175.338 174.900 -0.249 0.000 1.214 99 G CA -0.150 44.425 45.100 -0.876 0.000 0.839 99 G HN 0.761 nan 8.290 nan 0.000 0.559 100 D N -0.082 120.196 120.400 -0.203 0.000 2.192 100 D HA -0.215 4.426 4.640 0.001 0.000 0.189 100 D C 0.800 177.217 176.300 0.195 0.000 1.007 100 D CA 1.619 55.596 54.000 -0.037 0.000 0.859 100 D CB 0.073 40.799 40.800 -0.123 0.000 0.936 100 D HN 0.365 nan 8.370 nan 0.000 0.447 101 D N -1.138 119.335 120.400 0.122 0.000 2.325 101 D HA 0.054 4.694 4.640 0.001 0.000 0.251 101 D C 0.576 176.908 176.300 0.054 0.000 1.196 101 D CA 0.221 54.307 54.000 0.145 0.000 0.866 101 D CB 1.102 41.971 40.800 0.114 0.000 1.101 101 D HN -0.035 nan 8.370 nan 0.000 0.476 102 T N 1.614 116.202 114.554 0.057 0.000 3.051 102 T HA -0.141 4.209 4.350 0.001 0.000 0.269 102 T C 1.758 176.453 174.700 -0.008 0.000 1.127 102 T CA 1.622 63.724 62.100 0.003 0.000 1.107 102 T CB -0.114 68.744 68.868 -0.016 0.000 0.898 102 T HN 0.467 nan 8.240 nan 0.000 0.517 103 S N 0.079 115.786 115.700 0.013 0.000 2.507 103 S HA 0.044 4.514 4.470 0.001 0.000 0.235 103 S C 0.799 175.420 174.600 0.036 0.000 0.988 103 S CA 0.207 58.419 58.200 0.020 0.000 0.944 103 S CB -0.209 63.008 63.200 0.028 0.000 0.762 103 S HN 0.629 nan 8.310 nan 0.000 0.526 104 Q N 1.789 121.606 119.800 0.029 0.000 2.368 104 Q HA 0.587 4.928 4.340 0.001 0.000 0.263 104 Q C -0.742 175.260 176.000 0.003 0.000 1.009 104 Q CA -0.439 55.409 55.803 0.075 0.000 0.818 104 Q CB 1.753 30.569 28.738 0.129 0.000 1.239 104 Q HN 0.582 nan 8.270 nan 0.000 0.464 105 S N 2.099 117.882 115.700 0.138 0.000 2.656 105 S HA 0.729 5.199 4.470 0.001 0.000 0.273 105 S C -1.158 173.633 174.600 0.318 0.000 1.168 105 S CA -0.982 57.311 58.200 0.155 0.000 0.817 105 S CB 2.482 65.754 63.200 0.120 0.000 1.146 105 S HN 0.445 nan 8.310 nan 0.000 0.475 106 K N 0.136 120.724 120.400 0.313 0.000 2.557 106 K HA 0.385 4.705 4.320 0.001 0.000 0.257 106 K C -2.212 174.474 176.600 0.142 0.000 0.933 106 K CA -0.503 55.948 56.287 0.274 0.000 0.820 106 K CB 1.656 34.316 32.500 0.266 0.000 1.330 106 K HN 0.822 nan 8.250 nan 0.000 0.432 107 H N 2.320 121.429 119.070 0.065 0.000 2.718 107 H HA 0.368 4.924 4.556 0.000 0.000 0.295 107 H C -0.682 174.656 175.328 0.017 0.000 1.051 107 H CA -0.350 55.717 56.048 0.032 0.000 1.260 107 H CB 0.326 30.110 29.762 0.037 0.000 1.403 107 H HN 0.281 nan 8.280 nan 0.000 0.488 108 I N 2.798 123.395 120.570 0.044 0.000 2.312 108 I HA 0.134 4.304 4.170 0.001 0.000 0.291 108 I C 0.533 176.646 176.117 -0.007 0.000 1.031 108 I CA -0.481 60.824 61.300 0.008 0.000 1.293 108 I CB 0.791 38.761 38.000 -0.050 0.000 1.403 108 I HN 0.552 nan 8.210 nan 0.000 0.484 109 S N 4.636 120.361 115.700 0.043 0.000 2.589 109 S HA 0.128 4.599 4.470 0.001 0.000 0.265 109 S C 1.067 175.691 174.600 0.040 0.000 1.342 109 S CA -0.206 58.038 58.200 0.074 0.000 1.005 109 S CB 0.478 63.748 63.200 0.116 0.000 0.909 109 S HN 0.530 nan 8.310 nan 0.000 0.555 110 Y N 0.863 121.203 120.300 0.066 0.000 2.165 110 Y HA -0.151 4.400 4.550 0.001 0.000 0.286 110 Y C 2.926 178.890 175.900 0.107 0.000 1.155 110 Y CA 2.197 60.345 58.100 0.081 0.000 1.164 110 Y CB -0.278 38.229 38.460 0.079 0.000 0.978 110 Y HN 0.719 nan 8.280 nan 0.000 0.513 111 R N 0.501 121.140 120.500 0.233 0.000 2.073 111 R HA -0.153 4.188 4.340 0.001 0.000 0.229 111 R C 1.953 178.362 176.300 0.183 0.000 1.120 111 R CA 1.772 57.982 56.100 0.182 0.000 0.967 111 R CB -0.152 30.223 30.300 0.125 0.000 0.862 111 R HN 0.369 nan 8.270 nan 0.000 0.436 112 E N 0.364 120.640 120.200 0.127 0.000 2.051 112 E HA -0.225 4.125 4.350 0.001 0.000 0.192 112 E C 1.926 178.576 176.600 0.082 0.000 0.991 112 E CA 1.332 57.787 56.400 0.091 0.000 0.799 112 E CB -0.156 29.579 29.700 0.058 0.000 0.748 112 E HN 0.196 nan 8.360 nan 0.000 0.449 113 L N 1.058 122.321 121.223 0.066 0.000 2.046 113 L HA -0.201 4.140 4.340 0.001 0.000 0.208 113 L C 2.400 179.331 176.870 0.102 0.000 1.077 113 L CA 1.912 56.774 54.840 0.037 0.000 0.747 113 L CB -0.637 41.394 42.059 -0.047 0.000 0.896 113 L HN 0.271 nan 8.230 nan 0.000 0.432 114 H N -0.007 119.105 119.070 0.071 0.000 2.352 114 H HA -0.228 4.329 4.556 0.001 0.000 0.299 114 H C 2.384 177.757 175.328 0.075 0.000 1.097 114 H CA 2.071 58.174 56.048 0.091 0.000 1.311 114 H CB 0.055 29.890 29.762 0.122 0.000 1.377 114 H HN 0.369 nan 8.280 nan 0.000 0.504 115 R N 0.205 120.748 120.500 0.070 0.000 2.083 115 R HA -0.132 4.208 4.340 0.001 0.000 0.237 115 R C 1.818 178.102 176.300 -0.026 0.000 1.137 115 R CA 2.023 58.126 56.100 0.005 0.000 0.951 115 R CB -0.101 30.251 30.300 0.086 0.000 0.851 115 R HN 0.294 nan 8.270 nan 0.000 0.434 116 D N -0.299 120.111 120.400 0.017 0.000 2.178 116 D HA -0.089 4.551 4.640 0.001 0.000 0.202 116 D C 1.876 178.199 176.300 0.038 0.000 0.974 116 D CA 0.810 54.834 54.000 0.040 0.000 0.841 116 D CB 0.090 40.930 40.800 0.067 0.000 0.953 116 D HN 0.091 nan 8.370 nan 0.000 0.478 117 V N 0.275 120.190 119.914 0.001 0.000 2.358 117 V HA -0.252 3.869 4.120 0.001 0.000 0.246 117 V C 2.618 178.663 176.094 -0.080 0.000 1.047 117 V CA 1.162 63.462 62.300 -0.001 0.000 1.035 117 V CB -0.392 31.433 31.823 0.003 0.000 0.658 117 V HN 0.297 nan 8.190 nan 0.000 0.452 118 C N -0.231 118.968 119.300 -0.168 0.000 2.436 118 C HA -0.145 4.316 4.460 0.001 0.000 0.277 118 C C 2.867 177.778 174.990 -0.132 0.000 1.241 118 C CA 0.811 59.722 59.018 -0.179 0.000 1.721 118 C CB -1.189 26.449 27.740 -0.170 0.000 2.043 118 C HN 0.495 nan 8.230 nan 0.000 0.472 119 R N -0.267 120.190 120.500 -0.071 0.000 2.113 119 R HA -0.220 4.120 4.340 0.001 0.000 0.244 119 R C 2.082 178.328 176.300 -0.089 0.000 1.142 119 R CA 2.050 58.117 56.100 -0.055 0.000 0.953 119 R CB -0.792 29.499 30.300 -0.014 0.000 0.860 119 R HN 0.563 nan 8.270 nan 0.000 0.438 120 F N 0.970 120.789 119.950 -0.219 0.000 2.206 120 F HA -0.011 4.516 4.527 0.000 0.000 0.298 120 F C 2.361 178.011 175.800 -0.250 0.000 1.090 120 F CA 0.819 58.650 58.000 -0.283 0.000 1.323 120 F CB -0.337 38.487 39.000 -0.294 0.000 1.028 120 F HN 0.004 nan 8.300 nan 0.000 0.492 121 A N 0.527 123.209 122.820 -0.230 0.000 1.892 121 A HA -0.269 4.051 4.320 0.001 0.000 0.218 121 A C 2.162 179.518 177.584 -0.381 0.000 1.188 121 A CA 2.173 53.981 52.037 -0.382 0.000 0.631 121 A CB -0.995 17.606 19.000 -0.665 0.000 0.822 121 A HN 0.459 nan 8.150 nan 0.000 0.447 122 N N -0.489 118.027 118.700 -0.306 0.000 2.120 122 N HA -0.102 4.639 4.740 0.001 0.000 0.188 122 N C 1.772 177.141 175.510 -0.235 0.000 1.024 122 N CA 1.858 54.804 53.050 -0.174 0.000 0.852 122 N CB -0.808 37.632 38.487 -0.078 0.000 1.003 122 N HN 0.527 nan 8.380 nan 0.000 0.424 123 T N 2.014 116.357 114.554 -0.352 0.000 2.720 123 T HA -0.054 4.296 4.350 0.001 0.000 0.268 123 T C 2.145 176.557 174.700 -0.480 0.000 1.037 123 T CA 0.776 62.611 62.100 -0.442 0.000 1.144 123 T CB -0.221 68.257 68.868 -0.650 0.000 0.864 123 T HN 0.156 nan 8.240 nan 0.000 0.444 124 L N 0.149 121.028 121.223 -0.575 0.000 2.056 124 L HA -0.004 4.337 4.340 0.001 0.000 0.207 124 L C 2.506 179.237 176.870 -0.232 0.000 1.078 124 L CA 1.026 55.613 54.840 -0.422 0.000 0.749 124 L CB -0.576 41.249 42.059 -0.391 0.000 0.901 124 L HN 0.233 nan 8.230 nan 0.000 0.433 125 L N -0.416 120.693 121.223 -0.190 0.000 2.046 125 L HA -0.243 4.097 4.340 0.001 0.000 0.208 125 L C 2.201 179.013 176.870 -0.096 0.000 1.077 125 L CA 1.129 55.908 54.840 -0.103 0.000 0.747 125 L CB -0.584 41.443 42.059 -0.052 0.000 0.896 125 L HN 0.281 nan 8.230 nan 0.000 0.432 126 D N -0.288 120.037 120.400 -0.124 0.000 2.178 126 D HA -0.136 4.504 4.640 0.001 0.000 0.202 126 D C 2.034 178.268 176.300 -0.109 0.000 0.974 126 D CA 0.837 54.774 54.000 -0.106 0.000 0.841 126 D CB -0.017 40.713 40.800 -0.116 0.000 0.953 126 D HN 0.089 nan 8.370 nan 0.000 0.478 127 L N -0.227 120.908 121.223 -0.147 0.000 2.465 127 L HA 0.097 4.437 4.340 0.001 0.000 0.224 127 L C 1.627 178.463 176.870 -0.057 0.000 1.145 127 L CA 1.266 56.024 54.840 -0.136 0.000 0.834 127 L CB -0.770 41.176 42.059 -0.188 0.000 0.944 127 L HN 0.261 nan 8.230 nan 0.000 0.451 128 G N -1.233 107.534 108.800 -0.055 0.000 2.159 128 G HA2 -0.206 3.754 3.960 0.001 0.000 0.227 128 G HA3 -0.206 3.754 3.960 0.001 0.000 0.227 128 G C 0.406 175.293 174.900 -0.022 0.000 0.986 128 G CA -0.035 45.050 45.100 -0.025 0.000 0.651 128 G HN 0.139 nan 8.290 nan 0.000 0.523 129 I N 0.788 121.333 120.570 -0.041 0.000 2.588 129 I HA 0.379 4.549 4.170 0.001 0.000 0.283 129 I C 0.746 176.849 176.117 -0.024 0.000 1.119 129 I CA 0.419 61.700 61.300 -0.032 0.000 1.419 129 I CB 0.918 38.885 38.000 -0.055 0.000 1.394 129 I HN 0.126 nan 8.210 nan 0.000 0.562 130 K N 4.008 124.404 120.400 -0.006 0.000 2.350 130 K HA 0.345 4.666 4.320 0.001 0.000 0.241 130 K C -0.289 176.318 176.600 0.010 0.000 0.994 130 K CA -1.015 55.273 56.287 0.002 0.000 0.839 130 K CB 1.725 34.228 32.500 0.005 0.000 1.244 130 K HN 0.358 nan 8.250 nan 0.000 0.443 131 K N 0.670 121.079 120.400 0.014 0.000 2.466 131 K HA -0.037 4.284 4.320 0.001 0.000 0.278 131 K C 0.473 177.085 176.600 0.020 0.000 1.048 131 K CA 1.501 57.799 56.287 0.018 0.000 1.088 131 K CB -0.295 32.216 32.500 0.018 0.000 0.884 131 K HN 0.760 nan 8.250 nan 0.000 0.478 132 G N 3.397 112.211 108.800 0.023 0.000 2.254 132 G HA2 -0.207 3.753 3.960 0.001 0.000 0.225 132 G HA3 -0.207 3.753 3.960 0.001 0.000 0.225 132 G C -0.409 174.517 174.900 0.043 0.000 1.003 132 G CA 0.041 45.161 45.100 0.033 0.000 0.622 132 G HN 0.719 nan 8.290 nan 0.000 0.507 133 D N 0.988 121.408 120.400 0.034 0.000 2.443 133 D HA 0.412 5.053 4.640 0.001 0.000 0.239 133 D C 0.836 177.152 176.300 0.026 0.000 1.136 133 D CA 0.109 54.129 54.000 0.034 0.000 0.879 133 D CB 1.618 42.432 40.800 0.024 0.000 1.195 133 D HN 0.250 nan 8.370 nan 0.000 0.443 134 V N 2.330 122.253 119.914 0.015 0.000 2.498 134 V HA 0.214 4.334 4.120 0.001 0.000 0.279 134 V C 0.420 176.530 176.094 0.027 0.000 1.048 134 V CA -0.538 61.756 62.300 -0.011 0.000 0.967 134 V CB 1.523 33.288 31.823 -0.096 0.000 0.988 134 V HN 0.214 nan 8.190 nan 0.000 0.473 135 V N 4.285 124.239 119.914 0.067 0.000 2.407 135 V HA 0.630 4.750 4.120 0.001 0.000 0.291 135 V C 0.426 176.590 176.094 0.117 0.000 1.018 135 V CA -0.688 61.668 62.300 0.094 0.000 0.842 135 V CB 1.574 33.471 31.823 0.124 0.000 0.996 135 V HN 0.996 nan 8.190 nan 0.000 0.426 136 A N 6.656 129.525 122.820 0.083 0.000 2.409 136 A HA 0.760 5.080 4.320 0.001 0.000 0.262 136 A C -0.369 177.279 177.584 0.107 0.000 1.113 136 A CA -0.062 52.025 52.037 0.083 0.000 0.790 136 A CB -0.010 19.005 19.000 0.026 0.000 1.046 136 A HN 0.793 nan 8.150 nan 0.000 0.496 137 I N 2.502 123.142 120.570 0.117 0.000 2.410 137 I HA 0.213 4.383 4.170 0.001 0.000 0.286 137 I C -1.154 175.048 176.117 0.142 0.000 1.009 137 I CA -0.245 61.115 61.300 0.099 0.000 1.111 137 I CB 1.487 39.501 38.000 0.024 0.000 1.262 137 I HN 0.713 nan 8.210 nan 0.000 0.443 138 Y N 8.244 128.523 120.300 -0.035 0.000 2.787 138 Y HA 0.546 5.096 4.550 0.000 0.000 0.352 138 Y C -0.968 174.872 175.900 -0.099 0.000 1.027 138 Y CA -0.826 57.235 58.100 -0.064 0.000 1.219 138 Y CB 0.486 38.913 38.460 -0.054 0.000 1.110 138 Y HN 0.397 nan 8.280 nan 0.000 0.614 139 M N 5.489 124.940 119.600 -0.250 0.000 2.662 139 M HA 0.522 5.002 4.480 0.001 0.000 0.310 139 M C -2.502 173.597 176.300 -0.335 0.000 1.204 139 M CA -1.918 53.213 55.300 -0.282 0.000 0.891 139 M CB 2.010 34.481 32.600 -0.215 0.000 1.732 139 M HN 0.312 nan 8.290 nan 0.000 0.467 140 P HA 0.323 nan 4.420 nan 0.000 0.286 140 P C -0.638 176.560 177.300 -0.169 0.000 1.297 140 P CA -0.482 62.471 63.100 -0.245 0.000 0.781 140 P CB 0.616 32.189 31.700 -0.211 0.000 1.203 141 M N 0.971 120.516 119.600 -0.091 0.000 3.237 141 M HA 0.164 4.644 4.480 0.001 0.000 0.266 141 M C -0.076 176.300 176.300 0.127 0.000 1.456 141 M CA -0.094 55.207 55.300 0.001 0.000 1.593 141 M CB -1.232 31.386 32.600 0.029 0.000 1.129 141 M HN 0.126 nan 8.290 nan 0.000 0.547 142 V N 0.866 120.737 119.914 -0.072 0.000 3.040 142 V HA 0.588 4.708 4.120 0.001 0.000 0.312 142 V C -2.412 173.426 176.094 -0.427 0.000 1.115 142 V CA -1.748 60.362 62.300 -0.316 0.000 0.998 142 V CB 1.680 33.232 31.823 -0.452 0.000 1.042 142 V HN 0.226 nan 8.190 nan 0.000 0.433 143 P HA -0.031 nan 4.420 nan 0.000 0.220 143 P C 1.125 178.192 177.300 -0.388 0.000 1.148 143 P CA 1.168 64.016 63.100 -0.420 0.000 0.803 143 P CB 0.241 31.674 31.700 -0.446 0.000 0.782 144 E N -0.206 119.671 120.200 -0.539 0.000 2.265 144 E HA -0.128 4.222 4.350 0.001 0.000 0.196 144 E C 2.065 178.366 176.600 -0.498 0.000 0.996 144 E CA 1.307 57.306 56.400 -0.669 0.000 0.832 144 E CB -0.912 27.990 29.700 -1.330 0.000 0.756 144 E HN 0.211 nan 8.360 nan 0.000 0.491 145 A N 0.994 123.577 122.820 -0.394 0.000 1.873 145 A HA -0.022 4.298 4.320 0.001 0.000 0.215 145 A C 2.367 179.805 177.584 -0.244 0.000 1.186 145 A CA 1.562 53.430 52.037 -0.282 0.000 0.616 145 A CB -0.839 18.011 19.000 -0.251 0.000 0.823 145 A HN 0.301 nan 8.150 nan 0.000 0.442 146 A N -0.260 122.418 122.820 -0.237 0.000 1.865 146 A HA -0.084 4.236 4.320 0.001 0.000 0.217 146 A C 2.219 179.721 177.584 -0.137 0.000 1.191 146 A CA 2.056 53.968 52.037 -0.208 0.000 0.623 146 A CB -1.237 17.653 19.000 -0.183 0.000 0.826 146 A HN 0.486 nan 8.150 nan 0.000 0.444 147 V N -0.056 119.785 119.914 -0.121 0.000 2.278 147 V HA -0.340 3.780 4.120 0.001 0.000 0.251 147 V C 3.028 179.106 176.094 -0.028 0.000 1.062 147 V CA 2.309 64.581 62.300 -0.047 0.000 1.038 147 V CB -1.414 30.411 31.823 0.003 0.000 0.646 147 V HN 0.660 nan 8.190 nan 0.000 0.447 148 A N -0.927 121.841 122.820 -0.087 0.000 1.898 148 A HA -0.197 4.124 4.320 0.001 0.000 0.216 148 A C 2.238 179.864 177.584 0.070 0.000 1.181 148 A CA 2.165 54.188 52.037 -0.024 0.000 0.620 148 A CB -0.441 18.550 19.000 -0.015 0.000 0.819 148 A HN 0.502 nan 8.150 nan 0.000 0.442 149 M N -0.775 118.780 119.600 -0.076 0.000 2.099 149 M HA -0.071 4.410 4.480 0.001 0.000 0.262 149 M C 2.078 178.468 176.300 0.150 0.000 1.067 149 M CA 1.363 56.578 55.300 -0.143 0.000 1.124 149 M CB -0.455 31.888 32.600 -0.429 0.000 1.353 149 M HN 0.346 nan 8.290 nan 0.000 0.410 150 L N -0.347 120.956 121.223 0.132 0.000 2.131 150 L HA -0.141 4.200 4.340 0.001 0.000 0.210 150 L C 2.740 179.699 176.870 0.149 0.000 1.092 150 L CA 1.024 55.977 54.840 0.189 0.000 0.759 150 L CB -0.771 41.372 42.059 0.140 0.000 0.903 150 L HN 0.288 nan 8.230 nan 0.000 0.435 151 A N -1.081 121.831 122.820 0.153 0.000 1.929 151 A HA -0.184 4.137 4.320 0.001 0.000 0.216 151 A C 2.409 180.062 177.584 0.115 0.000 1.176 151 A CA 1.494 53.613 52.037 0.136 0.000 0.628 151 A CB -1.068 18.110 19.000 0.297 0.000 0.816 151 A HN 0.497 nan 8.150 nan 0.000 0.444 152 C N -0.885 118.527 119.300 0.186 0.000 2.413 152 C HA -0.020 4.440 4.460 0.001 0.000 0.276 152 C C 3.325 178.397 174.990 0.136 0.000 1.236 152 C CA 0.951 60.074 59.018 0.176 0.000 1.735 152 C CB -1.354 26.557 27.740 0.284 0.000 2.031 152 C HN 0.704 nan 8.230 nan 0.000 0.474 153 A N 0.239 123.162 122.820 0.172 0.000 1.908 153 A HA -0.258 4.062 4.320 0.001 0.000 0.218 153 A C 2.259 179.874 177.584 0.052 0.000 1.181 153 A CA 2.013 54.104 52.037 0.090 0.000 0.627 153 A CB -0.699 18.348 19.000 0.080 0.000 0.818 153 A HN 0.669 nan 8.150 nan 0.000 0.445 154 R N 0.149 120.685 120.500 0.060 0.000 2.083 154 R HA -0.129 4.212 4.340 0.001 0.000 0.237 154 R C 1.929 178.272 176.300 0.073 0.000 1.137 154 R CA 1.967 58.101 56.100 0.056 0.000 0.951 154 R CB -0.430 29.885 30.300 0.025 0.000 0.851 154 R HN 0.741 nan 8.270 nan 0.000 0.434 155 I N -3.127 117.469 120.570 0.043 0.000 3.793 155 I HA 0.320 4.490 4.170 0.001 0.000 0.315 155 I C 0.790 176.932 176.117 0.041 0.000 1.275 155 I CA 0.673 62.007 61.300 0.055 0.000 1.214 155 I CB 0.377 38.385 38.000 0.013 0.000 1.018 155 I HN 0.318 nan 8.210 nan 0.000 0.439 156 G N 1.697 110.517 108.800 0.034 0.000 2.153 156 G HA2 -0.271 3.689 3.960 0.001 0.000 0.252 156 G HA3 -0.271 3.689 3.960 0.001 0.000 0.252 156 G C 0.448 175.360 174.900 0.020 0.000 0.994 156 G CA 0.165 45.278 45.100 0.021 0.000 0.698 156 G HN 0.960 nan 8.290 nan 0.000 0.521 157 A N -0.844 121.994 122.820 0.031 0.000 2.406 157 A HA 0.646 4.967 4.320 0.001 0.000 0.243 157 A C 0.544 178.148 177.584 0.032 0.000 1.082 157 A CA 0.430 52.488 52.037 0.035 0.000 0.786 157 A CB 0.956 19.985 19.000 0.047 0.000 1.029 157 A HN 1.160 nan 8.150 nan 0.000 0.495 158 V N 4.505 124.430 119.914 0.019 0.000 2.328 158 V HA 0.258 4.378 4.120 0.001 0.000 0.278 158 V C 0.359 176.470 176.094 0.028 0.000 1.021 158 V CA -0.500 61.785 62.300 -0.025 0.000 0.838 158 V CB 0.513 32.309 31.823 -0.044 0.000 0.999 158 V HN 1.016 nan 8.190 nan 0.000 0.447 159 H N 2.164 121.311 119.070 0.128 0.000 2.481 159 H HA 0.624 5.180 4.556 0.000 0.000 0.339 159 H C -0.595 174.836 175.328 0.171 0.000 1.131 159 H CA -0.657 55.470 56.048 0.131 0.000 1.301 159 H CB 1.838 31.676 29.762 0.127 0.000 1.476 159 H HN 0.503 nan 8.280 nan 0.000 0.529 160 S N 3.349 119.261 115.700 0.354 0.000 2.664 160 S HA 0.261 4.731 4.470 0.001 0.000 0.262 160 S C -0.798 173.974 174.600 0.287 0.000 1.229 160 S CA -0.718 57.674 58.200 0.320 0.000 1.151 160 S CB -0.126 63.195 63.200 0.200 0.000 1.054 160 S HN 0.499 nan 8.310 nan 0.000 0.483 161 V N 6.542 126.657 119.914 0.336 0.000 2.508 161 V HA 0.373 4.493 4.120 0.001 0.000 0.281 161 V C 0.162 176.389 176.094 0.223 0.000 1.041 161 V CA -0.120 62.305 62.300 0.208 0.000 1.016 161 V CB 0.731 32.650 31.823 0.160 0.000 0.984 161 V HN 0.735 nan 8.190 nan 0.000 0.478 162 I N 5.487 126.177 120.570 0.201 0.000 2.362 162 I HA 0.305 4.475 4.170 0.001 0.000 0.289 162 I C -0.084 176.218 176.117 0.308 0.000 0.994 162 I CA -0.580 60.881 61.300 0.268 0.000 1.158 162 I CB 1.241 39.355 38.000 0.192 0.000 1.315 162 I HN 0.547 nan 8.210 nan 0.000 0.451 163 F N 5.672 125.665 119.950 0.070 0.000 2.612 163 F HA 0.133 4.661 4.527 0.001 0.000 0.389 163 F C 1.484 177.251 175.800 -0.056 0.000 1.055 163 F CA -0.046 57.777 58.000 -0.295 0.000 1.232 163 F CB 0.927 39.339 39.000 -0.981 0.000 1.044 163 F HN 0.644 nan 8.300 nan 0.000 0.560 164 G N 4.251 112.516 108.800 -0.892 0.000 2.507 164 G HA2 -0.262 3.699 3.960 0.001 0.000 0.221 164 G HA3 -0.262 3.699 3.960 0.001 0.000 0.221 164 G C 1.514 175.842 174.900 -0.952 0.000 1.119 164 G CA 0.632 45.138 45.100 -0.990 0.000 0.751 164 G HN 1.046 nan 8.290 nan 0.000 0.574 165 G N -0.541 107.216 108.800 -1.739 0.000 2.848 165 G HA2 0.263 4.223 3.960 0.001 0.000 0.208 165 G HA3 0.263 4.223 3.960 0.001 0.000 0.208 165 G C 0.081 174.791 174.900 -0.316 0.000 1.152 165 G CA -0.651 43.918 45.100 -0.886 0.000 0.789 165 G HN 0.212 nan 8.290 nan 0.000 0.531 166 F N 1.837 121.776 119.950 -0.018 0.000 2.459 166 F HA 0.334 4.862 4.527 0.000 0.000 0.346 166 F C 1.405 177.228 175.800 0.038 0.000 1.128 166 F CA -1.048 57.008 58.000 0.094 0.000 1.268 166 F CB 1.123 40.181 39.000 0.098 0.000 1.161 166 F HN 0.022 nan 8.300 nan 0.000 0.583 167 S N 3.089 118.925 115.700 0.227 0.000 2.593 167 S HA 0.256 4.726 4.470 0.001 0.000 0.269 167 S C -1.946 172.642 174.600 -0.021 0.000 1.334 167 S CA -1.064 57.178 58.200 0.070 0.000 1.015 167 S CB 1.211 64.426 63.200 0.024 0.000 0.912 167 S HN 0.367 nan 8.310 nan 0.000 0.541 168 P HA -0.167 nan 4.420 nan 0.000 0.216 168 P C 1.481 178.691 177.300 -0.148 0.000 1.154 168 P CA 1.608 64.632 63.100 -0.127 0.000 0.865 168 P CB -0.002 31.641 31.700 -0.096 0.000 0.789 169 E N -0.192 119.930 120.200 -0.130 0.000 2.097 169 E HA -0.207 4.143 4.350 0.001 0.000 0.196 169 E C 1.938 178.445 176.600 -0.155 0.000 1.000 169 E CA 1.816 58.131 56.400 -0.141 0.000 0.804 169 E CB -1.093 28.515 29.700 -0.153 0.000 0.740 169 E HN 0.110 nan 8.360 nan 0.000 0.454 170 A N -0.141 122.598 122.820 -0.135 0.000 1.898 170 A HA -0.094 4.226 4.320 0.001 0.000 0.216 170 A C 2.504 179.886 177.584 -0.337 0.000 1.181 170 A CA 1.430 53.338 52.037 -0.215 0.000 0.620 170 A CB -0.733 18.197 19.000 -0.116 0.000 0.819 170 A HN 0.190 nan 8.150 nan 0.000 0.442 171 V N 0.158 119.889 119.914 -0.306 0.000 2.252 171 V HA -0.328 3.792 4.120 0.001 0.000 0.249 171 V C 3.079 178.983 176.094 -0.316 0.000 1.056 171 V CA 2.171 64.240 62.300 -0.384 0.000 1.022 171 V CB -1.423 30.074 31.823 -0.543 0.000 0.641 171 V HN 0.630 nan 8.190 nan 0.000 0.445 172 A N 0.534 123.202 122.820 -0.253 0.000 1.873 172 A HA -0.182 4.138 4.320 0.001 0.000 0.218 172 A C 2.488 179.948 177.584 -0.208 0.000 1.193 172 A CA 2.332 54.248 52.037 -0.201 0.000 0.629 172 A CB -1.545 17.361 19.000 -0.157 0.000 0.826 172 A HN 0.567 nan 8.150 nan 0.000 0.447 173 G N -0.675 107.992 108.800 -0.222 0.000 2.513 173 G HA2 -0.320 3.640 3.960 0.001 0.000 0.219 173 G HA3 -0.320 3.640 3.960 0.001 0.000 0.219 173 G C 1.772 176.462 174.900 -0.350 0.000 1.160 173 G CA 1.262 46.220 45.100 -0.237 0.000 0.767 173 G HN 0.601 nan 8.290 nan 0.000 0.571 174 R N -0.323 119.887 120.500 -0.484 0.000 2.092 174 R HA 0.112 4.452 4.340 0.001 0.000 0.231 174 R C 2.617 178.666 176.300 -0.419 0.000 1.119 174 R CA 1.016 56.673 56.100 -0.737 0.000 0.970 174 R CB -0.315 29.586 30.300 -0.665 0.000 0.864 174 R HN 0.402 nan 8.270 nan 0.000 0.440 175 I N 0.288 120.704 120.570 -0.257 0.000 2.353 175 I HA -0.237 3.933 4.170 0.001 0.000 0.248 175 I C 2.032 178.093 176.117 -0.095 0.000 1.119 175 I CA 1.154 62.367 61.300 -0.145 0.000 1.417 175 I CB -0.068 37.851 38.000 -0.136 0.000 1.078 175 I HN 0.132 nan 8.210 nan 0.000 0.421 176 I N 0.226 120.730 120.570 -0.109 0.000 2.163 176 I HA -0.307 3.863 4.170 0.001 0.000 0.240 176 I C 2.403 178.524 176.117 0.006 0.000 1.081 176 I CA 1.492 62.760 61.300 -0.053 0.000 1.353 176 I CB -0.519 37.441 38.000 -0.066 0.000 1.054 176 I HN 0.296 nan 8.210 nan 0.000 0.407 177 D N 0.793 121.189 120.400 -0.007 0.000 2.149 177 D HA -0.189 4.452 4.640 0.001 0.000 0.198 177 D C 2.091 178.574 176.300 0.305 0.000 0.990 177 D CA 1.947 56.035 54.000 0.146 0.000 0.839 177 D CB 0.220 41.128 40.800 0.180 0.000 0.948 177 D HN 0.389 nan 8.370 nan 0.000 0.460 178 S N -1.080 114.726 115.700 0.177 0.000 2.548 178 S HA 0.070 4.541 4.470 0.001 0.000 0.215 178 S C 0.794 175.445 174.600 0.085 0.000 0.976 178 S CA 0.321 58.559 58.200 0.064 0.000 0.908 178 S CB 0.335 63.498 63.200 -0.062 0.000 0.781 178 S HN 0.104 nan 8.310 nan 0.000 0.519 179 S N 1.454 117.211 115.700 0.096 0.000 3.631 179 S HA -0.135 4.335 4.470 0.001 0.000 0.366 179 S C 0.070 174.687 174.600 0.027 0.000 0.993 179 S CA 0.521 58.761 58.200 0.068 0.000 1.167 179 S CB -2.141 61.130 63.200 0.118 0.000 0.909 179 S HN 0.737 nan 8.310 nan 0.000 0.478 180 S N 0.887 116.585 115.700 -0.004 0.000 2.516 180 S HA 0.148 4.619 4.470 0.001 0.000 0.282 180 S C 1.417 176.012 174.600 -0.008 0.000 1.286 180 S CA -0.489 57.706 58.200 -0.008 0.000 1.066 180 S CB 0.771 63.962 63.200 -0.015 0.000 0.884 180 S HN 0.484 nan 8.310 nan 0.000 0.491 181 R N 0.622 121.124 120.500 0.003 0.000 2.275 181 R HA 0.215 4.555 4.340 0.001 0.000 0.199 181 R C -0.240 176.061 176.300 0.002 0.000 0.989 181 R CA 0.368 56.467 56.100 -0.002 0.000 1.016 181 R CB -0.043 30.262 30.300 0.008 0.000 0.918 181 R HN 0.438 nan 8.270 nan 0.000 0.473 182 L N -0.536 120.696 121.223 0.014 0.000 2.545 182 L HA 0.356 4.696 4.340 0.001 0.000 0.258 182 L C -1.626 175.265 176.870 0.036 0.000 0.942 182 L CA -0.783 54.077 54.840 0.034 0.000 0.855 182 L CB 2.474 44.563 42.059 0.050 0.000 1.374 182 L HN -0.343 nan 8.230 nan 0.000 0.411 183 V N 5.232 125.167 119.914 0.035 0.000 2.540 183 V HA 0.564 4.685 4.120 0.001 0.000 0.302 183 V C -0.286 175.862 176.094 0.089 0.000 1.035 183 V CA -0.395 61.933 62.300 0.047 0.000 0.873 183 V CB 1.722 33.546 31.823 0.001 0.000 0.992 183 V HN 0.589 nan 8.190 nan 0.000 0.428 184 I N 3.987 124.637 120.570 0.134 0.000 2.362 184 I HA 0.636 4.806 4.170 0.001 0.000 0.289 184 I C 0.182 176.381 176.117 0.137 0.000 0.994 184 I CA 0.161 61.573 61.300 0.186 0.000 1.158 184 I CB 1.931 40.094 38.000 0.271 0.000 1.315 184 I HN 0.714 nan 8.210 nan 0.000 0.451 185 T N 4.001 118.626 114.554 0.118 0.000 2.618 185 T HA 0.869 5.219 4.350 0.001 0.000 0.293 185 T C -1.599 173.109 174.700 0.014 0.000 1.093 185 T CA -0.447 61.686 62.100 0.055 0.000 1.061 185 T CB 1.808 70.741 68.868 0.109 0.000 1.498 185 T HN 0.639 nan 8.240 nan 0.000 0.494 186 A N 0.535 123.335 122.820 -0.033 0.000 2.469 186 A HA 0.649 4.969 4.320 0.001 0.000 0.299 186 A C 0.742 178.346 177.584 0.033 0.000 1.098 186 A CA 0.034 52.062 52.037 -0.016 0.000 0.737 186 A CB 1.211 20.145 19.000 -0.110 0.000 1.312 186 A HN 0.900 nan 8.150 nan 0.000 0.414 187 D N 0.412 120.882 120.400 0.116 0.000 2.103 187 D HA -0.125 4.515 4.640 0.001 0.000 0.190 187 D C 0.329 176.657 176.300 0.046 0.000 0.997 187 D CA 1.980 56.062 54.000 0.136 0.000 0.833 187 D CB -0.029 40.917 40.800 0.243 0.000 0.961 187 D HN 0.660 nan 8.370 nan 0.000 0.447 188 E N -1.744 118.457 120.200 0.001 0.000 2.429 188 E HA 0.629 4.979 4.350 0.001 0.000 0.276 188 E C -0.656 175.884 176.600 -0.099 0.000 0.953 188 E CA -0.936 55.433 56.400 -0.051 0.000 0.787 188 E CB 2.281 31.959 29.700 -0.037 0.000 1.307 188 E HN 0.214 nan 8.360 nan 0.000 0.458 189 G N 0.146 108.861 108.800 -0.140 0.000 2.389 189 G HA2 0.482 4.442 3.960 0.001 0.000 0.317 189 G HA3 0.482 4.442 3.960 0.001 0.000 0.317 189 G C -0.869 173.949 174.900 -0.137 0.000 1.137 189 G CA -0.344 44.660 45.100 -0.160 0.000 0.870 189 G HN 0.204 nan 8.290 nan 0.000 0.496 190 V N 2.082 121.923 119.914 -0.123 0.000 2.347 190 V HA 0.620 4.741 4.120 0.001 0.000 0.280 190 V C 0.165 176.145 176.094 -0.190 0.000 1.021 190 V CA -0.611 61.608 62.300 -0.134 0.000 0.847 190 V CB 1.142 32.919 31.823 -0.077 0.000 0.990 190 V HN 0.798 nan 8.190 nan 0.000 0.444 191 R N 4.040 124.387 120.500 -0.254 0.000 2.522 191 R HA 0.652 4.993 4.340 0.001 0.000 0.283 191 R C 0.201 176.217 176.300 -0.474 0.000 1.074 191 R CA 0.231 56.146 56.100 -0.309 0.000 0.925 191 R CB 1.611 31.770 30.300 -0.234 0.000 1.205 191 R HN 1.070 nan 8.270 nan 0.000 0.436 192 A N 2.864 125.275 122.820 -0.681 0.000 2.665 192 A HA -0.124 4.196 4.320 0.001 0.000 0.301 192 A C 1.256 177.756 177.584 -1.807 0.000 1.509 192 A CA 1.864 53.039 52.037 -1.436 0.000 0.789 192 A CB -2.108 16.395 19.000 -0.829 0.000 1.024 192 A HN 1.938 nan 8.150 nan 0.000 0.460 193 G N -2.319 105.610 108.800 -1.450 0.000 2.234 193 G HA2 -0.300 3.660 3.960 0.001 0.000 0.260 193 G HA3 -0.300 3.660 3.960 0.001 0.000 0.260 193 G C 0.294 174.996 174.900 -0.329 0.000 0.987 193 G CA 1.137 45.828 45.100 -0.681 0.000 0.625 193 G HN 1.202 nan 8.290 nan 0.000 0.532 194 R N 0.081 120.371 120.500 -0.350 0.000 2.828 194 R HA 0.690 5.031 4.340 0.001 0.000 0.264 194 R C -0.442 175.751 176.300 -0.178 0.000 1.022 194 R CA -0.227 55.750 56.100 -0.206 0.000 1.021 194 R CB 1.462 31.653 30.300 -0.182 0.000 1.163 194 R HN 0.182 nan 8.270 nan 0.000 0.494 195 S N 1.773 117.399 115.700 -0.124 0.000 2.451 195 S HA 0.422 4.892 4.470 0.001 0.000 0.301 195 S C -0.101 174.434 174.600 -0.107 0.000 1.116 195 S CA -0.808 57.328 58.200 -0.108 0.000 1.093 195 S CB 0.912 64.069 63.200 -0.072 0.000 1.017 195 S HN 0.289 nan 8.310 nan 0.000 0.482 196 I N 4.362 124.854 120.570 -0.130 0.000 2.395 196 I HA 0.288 4.459 4.170 0.001 0.000 0.289 196 I C -2.243 173.811 176.117 -0.105 0.000 1.023 196 I CA -3.083 58.137 61.300 -0.135 0.000 1.350 196 I CB 0.221 38.098 38.000 -0.205 0.000 1.409 196 I HN 0.318 nan 8.210 nan 0.000 0.507 197 P HA 0.276 nan 4.420 nan 0.000 0.241 197 P C 0.728 178.019 177.300 -0.015 0.000 1.780 197 P CA -0.221 62.860 63.100 -0.032 0.000 1.111 197 P CB 0.550 32.244 31.700 -0.010 0.000 1.852 198 L N 1.798 122.989 121.223 -0.053 0.000 2.007 198 L HA -0.165 4.176 4.340 0.001 0.000 0.205 198 L C 2.535 179.472 176.870 0.111 0.000 1.073 198 L CA 1.671 56.483 54.840 -0.048 0.000 0.744 198 L CB -0.674 41.238 42.059 -0.244 0.000 0.898 198 L HN 0.176 nan 8.230 nan 0.000 0.435 199 K N 0.881 121.316 120.400 0.059 0.000 2.057 199 K HA -0.223 4.097 4.320 0.001 0.000 0.207 199 K C 2.079 178.702 176.600 0.038 0.000 1.049 199 K CA 1.602 57.922 56.287 0.055 0.000 0.931 199 K CB -0.188 32.341 32.500 0.049 0.000 0.714 199 K HN 0.015 nan 8.250 nan 0.000 0.440 200 K N 0.178 120.601 120.400 0.039 0.000 2.044 200 K HA -0.204 4.116 4.320 0.001 0.000 0.210 200 K C 1.725 178.334 176.600 0.015 0.000 1.049 200 K CA 1.944 58.245 56.287 0.023 0.000 0.927 200 K CB -0.224 32.289 32.500 0.022 0.000 0.713 200 K HN 0.184 nan 8.250 nan 0.000 0.443 201 N N 0.389 119.118 118.700 0.048 0.000 2.149 201 N HA -0.157 4.583 4.740 0.001 0.000 0.188 201 N C 1.744 177.233 175.510 -0.034 0.000 1.019 201 N CA 1.239 54.311 53.050 0.037 0.000 0.857 201 N CB -0.422 38.159 38.487 0.157 0.000 0.997 201 N HN 0.025 nan 8.380 nan 0.000 0.426 202 V N 1.535 121.448 119.914 -0.001 0.000 2.295 202 V HA -0.208 3.912 4.120 0.001 0.000 0.246 202 V C 1.698 177.739 176.094 -0.088 0.000 1.049 202 V CA 1.641 63.897 62.300 -0.073 0.000 1.024 202 V CB -0.532 31.280 31.823 -0.018 0.000 0.648 202 V HN 0.194 nan 8.190 nan 0.000 0.447 203 D N 0.258 120.618 120.400 -0.067 0.000 2.126 203 D HA -0.198 4.442 4.640 0.001 0.000 0.190 203 D C 1.933 178.189 176.300 -0.073 0.000 1.001 203 D CA 1.742 55.698 54.000 -0.075 0.000 0.841 203 D CB -0.410 40.358 40.800 -0.053 0.000 0.949 203 D HN 0.419 nan 8.370 nan 0.000 0.446 204 D N 0.078 120.439 120.400 -0.064 0.000 2.117 204 D HA -0.078 4.562 4.640 0.001 0.000 0.197 204 D C 2.021 178.269 176.300 -0.088 0.000 0.987 204 D CA 1.279 55.239 54.000 -0.067 0.000 0.829 204 D CB -0.413 40.353 40.800 -0.058 0.000 0.961 204 D HN 0.159 nan 8.370 nan 0.000 0.460 205 A N 0.861 123.613 122.820 -0.112 0.000 1.892 205 A HA -0.156 4.164 4.320 0.001 0.000 0.218 205 A C 2.309 179.822 177.584 -0.118 0.000 1.188 205 A CA 1.116 53.071 52.037 -0.136 0.000 0.631 205 A CB -0.853 18.034 19.000 -0.189 0.000 0.822 205 A HN 0.253 nan 8.150 nan 0.000 0.447 206 L N -1.387 119.770 121.223 -0.111 0.000 2.465 206 L HA -0.068 4.272 4.340 0.001 0.000 0.224 206 L C 2.217 179.035 176.870 -0.087 0.000 1.145 206 L CA 0.917 55.695 54.840 -0.103 0.000 0.834 206 L CB -0.328 41.666 42.059 -0.110 0.000 0.944 206 L HN 0.360 nan 8.230 nan 0.000 0.451 207 K N -0.093 120.259 120.400 -0.080 0.000 2.288 207 K HA -0.072 4.249 4.320 0.001 0.000 0.201 207 K C 0.961 177.524 176.600 -0.062 0.000 1.048 207 K CA 0.008 56.256 56.287 -0.066 0.000 0.956 207 K CB -0.077 32.388 32.500 -0.058 0.000 0.746 207 K HN 0.162 nan 8.250 nan 0.000 0.461 208 N N 1.753 120.411 118.700 -0.070 0.000 2.411 208 N HA -0.046 4.695 4.740 0.001 0.000 0.265 208 N C -1.801 173.675 175.510 -0.057 0.000 1.266 208 N CA -0.999 52.012 53.050 -0.065 0.000 0.889 208 N CB 1.090 39.531 38.487 -0.078 0.000 1.069 208 N HN -0.051 nan 8.380 nan 0.000 0.476 209 P HA -0.080 nan 4.420 nan 0.000 0.218 209 P C 0.341 177.618 177.300 -0.039 0.000 1.149 209 P CA 1.027 64.104 63.100 -0.039 0.000 0.817 209 P CB 0.338 32.020 31.700 -0.030 0.000 0.785 210 N N -0.155 118.522 118.700 -0.039 0.000 2.550 210 N HA -0.009 4.731 4.740 0.001 0.000 0.186 210 N C 0.344 175.829 175.510 -0.042 0.000 1.110 210 N CA 0.345 53.373 53.050 -0.036 0.000 0.912 210 N CB -0.251 38.217 38.487 -0.032 0.000 0.968 210 N HN 0.100 nan 8.380 nan 0.000 0.448 211 V N 1.909 121.790 119.914 -0.054 0.000 2.427 211 V HA 0.096 4.216 4.120 0.001 0.000 0.268 211 V C 1.222 177.283 176.094 -0.056 0.000 1.046 211 V CA 0.370 62.633 62.300 -0.061 0.000 0.970 211 V CB 0.892 32.668 31.823 -0.079 0.000 1.001 211 V HN 0.330 nan 8.190 nan 0.000 0.476 212 T N -1.191 113.334 114.554 -0.047 0.000 3.087 212 T HA 0.023 4.374 4.350 0.001 0.000 0.283 212 T C 1.212 175.885 174.700 -0.045 0.000 0.956 212 T CA 0.461 62.535 62.100 -0.044 0.000 0.894 212 T CB 0.287 69.136 68.868 -0.032 0.000 1.160 212 T HN 0.629 nan 8.240 nan 0.000 0.532 213 S N 0.376 116.050 115.700 -0.043 0.000 2.512 213 S HA 0.366 4.836 4.470 0.001 0.000 0.216 213 S C 0.395 174.964 174.600 -0.051 0.000 1.006 213 S CA -0.303 57.876 58.200 -0.035 0.000 0.915 213 S CB -0.034 63.158 63.200 -0.013 0.000 0.824 213 S HN 0.267 nan 8.310 nan 0.000 0.497 214 V N 2.862 122.735 119.914 -0.069 0.000 2.408 214 V HA 0.281 4.401 4.120 0.001 0.000 0.267 214 V C 0.811 176.827 176.094 -0.130 0.000 1.047 214 V CA -0.016 62.234 62.300 -0.083 0.000 0.937 214 V CB 0.929 32.702 31.823 -0.085 0.000 0.999 214 V HN 0.433 nan 8.190 nan 0.000 0.472 215 E N 2.814 122.923 120.200 -0.152 0.000 2.166 215 E HA 0.136 4.486 4.350 0.001 0.000 0.192 215 E C 0.060 176.308 176.600 -0.587 0.000 0.967 215 E CA 0.510 56.715 56.400 -0.324 0.000 0.840 215 E CB 0.387 29.938 29.700 -0.248 0.000 0.795 215 E HN 0.710 nan 8.360 nan 0.000 0.470 216 H N -1.152 117.867 119.070 -0.085 0.000 3.016 216 H HA 0.356 4.912 4.556 0.001 0.000 0.362 216 H C -1.214 174.048 175.328 -0.110 0.000 1.233 216 H CA -0.681 55.302 56.048 -0.108 0.000 1.124 216 H CB 1.864 31.571 29.762 -0.092 0.000 1.850 216 H HN -0.202 nan 8.280 nan 0.000 0.549 217 V N 3.394 123.300 119.914 -0.013 0.000 2.444 217 V HA 0.327 4.447 4.120 0.001 0.000 0.294 217 V C 0.375 176.428 176.094 -0.068 0.000 1.022 217 V CA -0.590 61.671 62.300 -0.065 0.000 0.850 217 V CB 1.488 33.216 31.823 -0.159 0.000 0.992 217 V HN 0.468 nan 8.190 nan 0.000 0.426 218 I N 4.937 125.531 120.570 0.040 0.000 2.342 218 I HA 0.435 4.605 4.170 0.001 0.000 0.291 218 I C -0.478 175.746 176.117 0.178 0.000 1.010 218 I CA -0.542 60.833 61.300 0.125 0.000 1.308 218 I CB 1.665 39.804 38.000 0.231 0.000 1.400 218 I HN 0.296 nan 8.210 nan 0.000 0.488 219 V N 7.161 127.195 119.914 0.200 0.000 2.444 219 V HA 0.262 4.383 4.120 0.001 0.000 0.294 219 V C -0.198 176.161 176.094 0.442 0.000 1.022 219 V CA -0.742 61.685 62.300 0.211 0.000 0.850 219 V CB 1.733 33.569 31.823 0.023 0.000 0.992 219 V HN 0.437 nan 8.190 nan 0.000 0.426 220 L N 4.913 126.313 121.223 0.295 0.000 2.361 220 L HA 0.342 4.683 4.340 0.001 0.000 0.278 220 L C 0.667 177.689 176.870 0.253 0.000 1.113 220 L CA 0.251 55.196 54.840 0.176 0.000 0.849 220 L CB 0.488 42.378 42.059 -0.281 0.000 1.155 220 L HN 0.658 nan 8.230 nan 0.000 0.452 221 K N 4.127 124.706 120.400 0.299 0.000 2.095 221 K HA 0.001 4.322 4.320 0.001 0.000 0.258 221 K C 0.985 177.563 176.600 -0.037 0.000 1.120 221 K CA -0.069 56.285 56.287 0.113 0.000 1.026 221 K CB 0.098 32.434 32.500 -0.274 0.000 1.256 221 K HN 0.683 nan 8.250 nan 0.000 0.360 222 R N 1.335 121.821 120.500 -0.023 0.000 2.090 222 R HA -0.031 4.309 4.340 0.001 0.000 0.219 222 R C 1.618 177.883 176.300 -0.058 0.000 1.100 222 R CA 2.222 58.271 56.100 -0.086 0.000 0.991 222 R CB -0.159 30.079 30.300 -0.105 0.000 0.893 222 R HN 0.561 nan 8.270 nan 0.000 0.443 223 T N -4.518 110.019 114.554 -0.029 0.000 2.990 223 T HA 0.276 4.626 4.350 0.001 0.000 0.249 223 T C 1.253 175.935 174.700 -0.029 0.000 1.039 223 T CA 0.268 62.354 62.100 -0.025 0.000 1.036 223 T CB 0.356 69.214 68.868 -0.016 0.000 0.994 223 T HN 0.378 nan 8.240 nan 0.000 0.489 224 G N 1.322 110.105 108.800 -0.027 0.000 2.160 224 G HA2 -0.232 3.728 3.960 0.001 0.000 0.244 224 G HA3 -0.232 3.728 3.960 0.001 0.000 0.244 224 G C 0.101 174.994 174.900 -0.012 0.000 1.022 224 G CA 0.163 45.230 45.100 -0.055 0.000 0.741 224 G HN 0.703 nan 8.290 nan 0.000 0.508 225 S N 0.031 115.749 115.700 0.029 0.000 2.585 225 S HA 0.364 4.834 4.470 0.001 0.000 0.273 225 S C 0.378 175.023 174.600 0.074 0.000 1.339 225 S CA -0.307 57.918 58.200 0.042 0.000 1.028 225 S CB 0.550 63.775 63.200 0.041 0.000 0.906 225 S HN 0.352 nan 8.310 nan 0.000 0.528 226 D N 2.146 122.581 120.400 0.057 0.000 2.412 226 D HA 0.262 4.902 4.640 0.001 0.000 0.257 226 D C 0.119 176.478 176.300 0.099 0.000 1.217 226 D CA 0.523 54.566 54.000 0.072 0.000 0.897 226 D CB -0.161 40.668 40.800 0.048 0.000 1.132 226 D HN 0.417 nan 8.370 nan 0.000 0.493 227 I N -1.584 119.075 120.570 0.148 0.000 2.934 227 I HA 0.486 4.656 4.170 0.001 0.000 0.306 227 I C -0.607 175.624 176.117 0.190 0.000 1.110 227 I CA -1.156 60.242 61.300 0.164 0.000 1.019 227 I CB 2.279 40.404 38.000 0.209 0.000 1.227 227 I HN -0.108 nan 8.210 nan 0.000 0.434 228 D N 3.562 124.052 120.400 0.151 0.000 2.414 228 D HA 0.082 4.722 4.640 0.001 0.000 0.242 228 D C -1.321 175.122 176.300 0.238 0.000 1.129 228 D CA 0.506 54.598 54.000 0.154 0.000 0.885 228 D CB 1.355 42.200 40.800 0.075 0.000 1.198 228 D HN 0.537 nan 8.370 nan 0.000 0.437 229 W N 1.924 123.209 121.300 -0.024 0.000 2.656 229 W HA 0.202 4.862 4.660 0.000 0.000 0.327 229 W C -0.636 175.855 176.519 -0.047 0.000 1.041 229 W CA -0.756 56.553 57.345 -0.059 0.000 1.229 229 W CB 1.693 31.136 29.460 -0.030 0.000 1.397 229 W HN 0.273 nan 8.180 nan 0.000 0.479 230 Q N 4.137 123.684 119.800 -0.421 0.000 2.430 230 Q HA 0.091 4.432 4.340 0.001 0.000 0.245 230 Q C -0.311 175.494 176.000 -0.325 0.000 1.021 230 Q CA -0.367 55.263 55.803 -0.288 0.000 0.867 230 Q CB 0.990 29.574 28.738 -0.257 0.000 1.210 230 Q HN 0.317 nan 8.270 nan 0.000 0.487 231 E N 2.282 122.440 120.200 -0.069 0.000 2.558 231 E HA 0.093 4.443 4.350 0.001 0.000 0.255 231 E C 0.916 177.505 176.600 -0.018 0.000 0.968 231 E CA 1.973 58.396 56.400 0.039 0.000 0.939 231 E CB 0.338 30.099 29.700 0.101 0.000 0.921 231 E HN 0.848 nan 8.360 nan 0.000 0.477 232 G N 4.486 113.297 108.800 0.019 0.000 2.812 232 G HA2 -0.425 3.535 3.960 0.001 0.000 0.219 232 G HA3 -0.425 3.535 3.960 0.001 0.000 0.219 232 G C 1.363 176.298 174.900 0.058 0.000 1.275 232 G CA 0.494 45.617 45.100 0.039 0.000 0.769 232 G HN 0.563 nan 8.290 nan 0.000 0.527 233 R N 1.233 121.691 120.500 -0.070 0.000 2.057 233 R HA 0.047 4.388 4.340 0.001 0.000 0.229 233 R C -0.107 176.126 176.300 -0.112 0.000 1.136 233 R CA 1.428 57.476 56.100 -0.088 0.000 0.952 233 R CB -0.217 29.959 30.300 -0.206 0.000 0.848 233 R HN 0.416 nan 8.270 nan 0.000 0.430 234 D N 0.920 121.048 120.400 -0.454 0.000 2.264 234 D HA 0.268 4.908 4.640 0.001 0.000 0.250 234 D C -0.647 175.365 176.300 -0.479 0.000 1.113 234 D CA 0.119 53.620 54.000 -0.832 0.000 0.871 234 D CB 1.469 41.045 40.800 -2.042 0.000 1.167 234 D HN 0.127 nan 8.370 nan 0.000 0.447 235 L N 1.235 122.318 121.223 -0.233 0.000 2.401 235 L HA 0.487 4.828 4.340 0.001 0.000 0.266 235 L C -0.624 176.388 176.870 0.237 0.000 0.991 235 L CA -1.086 53.818 54.840 0.107 0.000 0.818 235 L CB 1.794 43.863 42.059 0.016 0.000 1.321 235 L HN 0.267 nan 8.230 nan 0.000 0.413 236 W N 1.661 123.228 121.300 0.445 0.000 2.272 236 W HA 0.117 4.777 4.660 0.000 0.000 0.318 236 W C 0.999 177.684 176.519 0.277 0.000 1.255 236 W CA -0.223 57.327 57.345 0.343 0.000 1.200 236 W CB 0.952 30.509 29.460 0.162 0.000 1.170 236 W HN 0.601 nan 8.180 nan 0.000 0.549 237 W N 3.998 125.540 121.300 0.403 0.000 2.315 237 W HA -0.280 4.380 4.660 0.000 0.000 0.323 237 W C 2.049 178.686 176.519 0.197 0.000 1.233 237 W CA 2.023 59.521 57.345 0.254 0.000 1.267 237 W CB -0.439 29.115 29.460 0.157 0.000 1.160 237 W HN 0.516 nan 8.180 nan 0.000 0.474 238 R N 0.566 121.363 120.500 0.495 0.000 2.080 238 R HA -0.197 4.143 4.340 0.001 0.000 0.236 238 R C 1.955 178.348 176.300 0.154 0.000 1.137 238 R CA 2.391 58.660 56.100 0.281 0.000 0.943 238 R CB -0.770 29.620 30.300 0.149 0.000 0.846 238 R HN -0.033 nan 8.270 nan 0.000 0.431 239 D N 0.458 120.965 120.400 0.179 0.000 2.133 239 D HA -0.200 4.440 4.640 0.001 0.000 0.195 239 D C 1.931 178.275 176.300 0.073 0.000 0.997 239 D CA 1.351 55.427 54.000 0.128 0.000 0.840 239 D CB -0.123 40.799 40.800 0.203 0.000 0.947 239 D HN 0.316 nan 8.370 nan 0.000 0.452 240 L N -0.028 121.230 121.223 0.059 0.000 2.068 240 L HA 0.014 4.354 4.340 0.001 0.000 0.204 240 L C 2.555 179.377 176.870 -0.081 0.000 1.076 240 L CA 0.353 55.172 54.840 -0.035 0.000 0.753 240 L CB -0.113 41.895 42.059 -0.086 0.000 0.910 240 L HN -0.017 nan 8.230 nan 0.000 0.439 241 I N -0.257 120.255 120.570 -0.098 0.000 2.252 241 I HA -0.236 3.934 4.170 0.001 0.000 0.245 241 I C 2.506 178.606 176.117 -0.028 0.000 1.102 241 I CA 1.037 62.279 61.300 -0.096 0.000 1.385 241 I CB 0.029 37.945 38.000 -0.141 0.000 1.064 241 I HN 0.257 nan 8.210 nan 0.000 0.414 242 E N 0.993 121.196 120.200 0.005 0.000 2.130 242 E HA -0.286 4.064 4.350 0.001 0.000 0.196 242 E C 2.078 178.675 176.600 -0.005 0.000 0.998 242 E CA 1.341 57.747 56.400 0.010 0.000 0.806 242 E CB -0.274 29.438 29.700 0.020 0.000 0.738 242 E HN 0.512 nan 8.360 nan 0.000 0.459 243 K N 0.282 120.672 120.400 -0.015 0.000 2.283 243 K HA 0.040 4.360 4.320 0.001 0.000 0.202 243 K C 0.847 177.427 176.600 -0.034 0.000 1.048 243 K CA 0.554 56.827 56.287 -0.023 0.000 0.948 243 K CB 0.107 32.590 32.500 -0.027 0.000 0.742 243 K HN 0.001 nan 8.250 nan 0.000 0.458 244 A N 1.061 123.853 122.820 -0.048 0.000 2.340 244 A HA 0.176 4.497 4.320 0.001 0.000 0.268 244 A C -0.017 177.547 177.584 -0.032 0.000 1.100 244 A CA -0.291 51.711 52.037 -0.058 0.000 0.803 244 A CB 0.884 19.826 19.000 -0.096 0.000 1.043 244 A HN 0.118 nan 8.150 nan 0.000 0.488 245 S N 2.152 117.837 115.700 -0.025 0.000 2.537 245 S HA 0.238 4.708 4.470 0.001 0.000 0.286 245 S C -1.195 173.404 174.600 -0.002 0.000 1.299 245 S CA -0.847 57.350 58.200 -0.005 0.000 1.067 245 S CB 0.424 63.627 63.200 0.006 0.000 0.864 245 S HN 0.539 nan 8.310 nan 0.000 0.494 246 P HA 0.067 nan 4.420 nan 0.000 0.242 246 P C -0.404 176.909 177.300 0.021 0.000 1.197 246 P CA 0.503 63.608 63.100 0.010 0.000 0.765 246 P CB 0.112 31.828 31.700 0.025 0.000 0.936 247 E N 0.795 121.018 120.200 0.038 0.000 2.174 247 E HA 0.290 4.640 4.350 0.001 0.000 0.282 247 E C -0.300 176.359 176.600 0.099 0.000 0.992 247 E CA -0.128 56.306 56.400 0.057 0.000 0.803 247 E CB 1.289 31.012 29.700 0.038 0.000 1.090 247 E HN 0.264 nan 8.360 nan 0.000 0.396 248 H N 2.370 121.427 119.070 -0.022 0.000 3.099 248 H HA 0.111 4.667 4.556 0.000 0.000 0.342 248 H C -1.237 174.092 175.328 0.002 0.000 1.054 248 H CA -0.548 55.485 56.048 -0.025 0.000 1.328 248 H CB 1.362 31.092 29.762 -0.053 0.000 1.876 248 H HN 0.276 nan 8.280 nan 0.000 0.495 249 Q N 5.233 124.770 119.800 -0.438 0.000 2.303 249 Q HA 0.312 4.653 4.340 0.001 0.000 0.257 249 Q C -2.357 173.483 176.000 -0.267 0.000 0.941 249 Q CA -2.193 53.467 55.803 -0.238 0.000 0.931 249 Q CB 1.615 30.258 28.738 -0.159 0.000 1.215 249 Q HN 0.470 nan 8.270 nan 0.000 0.437 250 P HA 0.199 nan 4.420 nan 0.000 0.281 250 P C -0.518 176.780 177.300 -0.002 0.000 1.252 250 P CA -0.194 62.933 63.100 0.045 0.000 0.778 250 P CB 1.191 32.942 31.700 0.084 0.000 0.895 251 E N 1.069 121.274 120.200 0.009 0.000 2.283 251 E HA 0.505 4.855 4.350 0.001 0.000 0.267 251 E C 0.003 176.610 176.600 0.012 0.000 1.045 251 E CA -0.957 55.444 56.400 0.001 0.000 0.884 251 E CB 1.009 30.711 29.700 0.002 0.000 1.106 251 E HN 0.480 nan 8.360 nan 0.000 0.408 252 A N 3.371 126.198 122.820 0.013 0.000 2.454 252 A HA 0.243 4.564 4.320 0.001 0.000 0.260 252 A C -0.314 177.285 177.584 0.025 0.000 1.106 252 A CA -0.073 51.976 52.037 0.020 0.000 0.780 252 A CB 0.092 19.113 19.000 0.035 0.000 1.044 252 A HN 0.425 nan 8.150 nan 0.000 0.498 253 M N 2.579 122.190 119.600 0.019 0.000 2.423 253 M HA 0.287 4.768 4.480 0.001 0.000 0.335 253 M C -0.068 176.264 176.300 0.053 0.000 1.177 253 M CA -0.691 54.624 55.300 0.025 0.000 1.038 253 M CB 0.942 33.544 32.600 0.004 0.000 1.641 253 M HN 0.645 nan 8.290 nan 0.000 0.455 254 N N 0.964 119.704 118.700 0.067 0.000 2.508 254 N HA 0.197 4.937 4.740 0.001 0.000 0.264 254 N C 0.905 176.493 175.510 0.131 0.000 1.216 254 N CA 0.023 53.139 53.050 0.111 0.000 0.943 254 N CB 0.877 39.418 38.487 0.089 0.000 1.113 254 N HN 0.775 nan 8.380 nan 0.000 0.447 255 A N 1.522 124.481 122.820 0.232 0.000 1.997 255 A HA -0.185 4.136 4.320 0.001 0.000 0.221 255 A C 1.309 179.001 177.584 0.179 0.000 1.172 255 A CA 1.474 53.682 52.037 0.284 0.000 0.645 255 A CB -0.094 19.199 19.000 0.488 0.000 0.813 255 A HN 0.611 nan 8.150 nan 0.000 0.454 256 E N 0.673 120.948 120.200 0.125 0.000 2.465 256 E HA 0.076 4.426 4.350 0.001 0.000 0.195 256 E C -0.849 175.764 176.600 0.022 0.000 1.028 256 E CA -0.230 56.210 56.400 0.066 0.000 0.899 256 E CB -0.030 29.698 29.700 0.047 0.000 1.032 256 E HN 0.498 nan 8.360 nan 0.000 0.468 257 D N 3.095 123.510 120.400 0.026 0.000 2.425 257 D HA 0.072 4.712 4.640 0.001 0.000 0.247 257 D C -2.152 174.130 176.300 -0.029 0.000 1.147 257 D CA -1.440 52.560 54.000 0.001 0.000 0.879 257 D CB 0.831 41.636 40.800 0.008 0.000 1.179 257 D HN -0.011 nan 8.370 nan 0.000 0.456 258 P HA -0.020 nan 4.420 nan 0.000 0.269 258 P C 0.262 177.498 177.300 -0.107 0.000 1.209 258 P CA -0.323 62.726 63.100 -0.085 0.000 0.776 258 P CB 1.173 32.843 31.700 -0.050 0.000 0.876 259 L N 3.526 124.634 121.223 -0.190 0.000 2.519 259 L HA 0.410 4.750 4.340 0.001 0.000 0.194 259 L C 0.167 176.918 176.870 -0.199 0.000 1.072 259 L CA 1.053 55.783 54.840 -0.184 0.000 0.845 259 L CB -0.012 41.921 42.059 -0.209 0.000 1.138 259 L HN 0.443 nan 8.230 nan 0.000 0.487 260 F N -1.197 118.573 119.950 -0.300 0.000 2.662 260 F HA 0.734 5.261 4.527 -0.000 0.000 0.312 260 F C -1.145 174.581 175.800 -0.123 0.000 1.113 260 F CA -1.474 56.331 58.000 -0.325 0.000 0.951 260 F CB 0.647 39.381 39.000 -0.444 0.000 1.344 260 F HN -0.321 nan 8.300 nan 0.000 0.462 261 I N 2.894 123.550 120.570 0.143 0.000 2.530 261 I HA 0.530 4.700 4.170 0.001 0.000 0.297 261 I C -0.961 175.310 176.117 0.258 0.000 1.011 261 I CA -1.205 60.106 61.300 0.019 0.000 1.107 261 I CB 1.638 39.518 38.000 -0.199 0.000 1.285 261 I HN 0.675 nan 8.210 nan 0.000 0.436 262 L N 5.706 127.031 121.223 0.169 0.000 2.372 262 L HA 0.404 4.745 4.340 0.001 0.000 0.274 262 L C -1.040 175.862 176.870 0.054 0.000 0.988 262 L CA -0.779 54.188 54.840 0.212 0.000 0.833 262 L CB 1.784 44.012 42.059 0.280 0.000 1.236 262 L HN 0.376 nan 8.230 nan 0.000 0.410 263 Y N 2.198 122.598 120.300 0.165 0.000 2.544 263 Y HA 0.178 4.728 4.550 0.001 0.000 0.330 263 Y C 0.653 176.672 175.900 0.198 0.000 1.136 263 Y CA 0.411 58.592 58.100 0.135 0.000 1.417 263 Y CB 0.744 39.227 38.460 0.038 0.000 1.229 263 Y HN 0.390 nan 8.280 nan 0.000 0.532 264 T N 2.518 117.233 114.554 0.267 0.000 2.886 264 T HA 0.302 4.653 4.350 0.001 0.000 0.292 264 T C -0.369 174.454 174.700 0.206 0.000 1.012 264 T CA -1.030 61.213 62.100 0.239 0.000 0.982 264 T CB 1.165 70.152 68.868 0.199 0.000 1.018 264 T HN 0.454 nan 8.240 nan 0.000 0.451 265 S N 1.532 117.340 115.700 0.181 0.000 2.564 265 S HA 0.631 5.101 4.470 0.001 0.000 0.278 265 S C 0.684 175.344 174.600 0.100 0.000 1.333 265 S CA -0.542 57.739 58.200 0.135 0.000 1.048 265 S CB 0.751 64.023 63.200 0.119 0.000 0.900 265 S HN 0.943 nan 8.310 nan 0.000 0.505 266 G N 0.219 109.063 108.800 0.074 0.000 2.818 266 G HA2 0.458 4.418 3.960 0.001 0.000 0.286 266 G HA3 0.458 4.418 3.960 0.001 0.000 0.286 266 G C 0.630 175.535 174.900 0.010 0.000 1.364 266 G CA -0.459 44.660 45.100 0.032 0.000 0.938 266 G HN 0.558 nan 8.290 nan 0.000 0.490 267 S N -1.406 114.278 115.700 -0.026 0.000 2.399 267 S HA -0.006 4.465 4.470 0.001 0.000 0.231 267 S C 1.296 175.889 174.600 -0.012 0.000 1.022 267 S CA 1.944 60.130 58.200 -0.023 0.000 0.983 267 S CB -0.342 62.829 63.200 -0.048 0.000 0.803 267 S HN 1.198 nan 8.310 nan 0.000 0.480 268 T N -1.923 112.620 114.554 -0.018 0.000 2.900 268 T HA 0.657 5.008 4.350 0.001 0.000 0.295 268 T C 0.288 174.995 174.700 0.011 0.000 1.044 268 T CA -0.053 62.044 62.100 -0.005 0.000 0.995 268 T CB 1.312 70.169 68.868 -0.018 0.000 1.072 268 T HN 0.825 nan 8.240 nan 0.000 0.473 269 G N 1.921 110.735 108.800 0.023 0.000 2.750 269 G HA2 -0.048 3.913 3.960 0.001 0.000 0.228 269 G HA3 -0.048 3.913 3.960 0.001 0.000 0.228 269 G C -0.306 174.623 174.900 0.049 0.000 1.367 269 G CA -0.329 44.792 45.100 0.035 0.000 0.871 269 G HN 0.976 nan 8.290 nan 0.000 0.560 270 K N 0.882 121.316 120.400 0.055 0.000 2.138 270 K HA 0.549 4.870 4.320 0.001 0.000 0.251 270 K C -1.790 174.871 176.600 0.102 0.000 1.015 270 K CA -0.345 55.980 56.287 0.064 0.000 0.917 270 K CB 0.585 33.110 32.500 0.042 0.000 1.021 270 K HN 0.660 nan 8.250 nan 0.000 0.485 271 P HA 0.060 nan 4.420 nan 0.000 0.265 271 P C -0.536 176.951 177.300 0.311 0.000 1.187 271 P CA 0.317 63.538 63.100 0.202 0.000 0.766 271 P CB 0.404 32.223 31.700 0.198 0.000 0.820 272 K N 1.254 121.817 120.400 0.271 0.000 2.328 272 K HA 0.483 4.804 4.320 0.001 0.000 0.246 272 K C 0.366 176.909 176.600 -0.095 0.000 0.955 272 K CA -0.760 55.650 56.287 0.204 0.000 0.817 272 K CB 1.778 34.374 32.500 0.159 0.000 1.208 272 K HN 0.504 nan 8.250 nan 0.000 0.432 273 G N 1.149 109.693 108.800 -0.426 0.000 2.605 273 G HA2 0.227 4.187 3.960 0.001 0.000 0.301 273 G HA3 0.227 4.187 3.960 0.001 0.000 0.301 273 G C -0.022 174.734 174.900 -0.240 0.000 0.881 273 G CA -0.384 44.242 45.100 -0.790 0.000 1.553 273 G HN 0.224 nan 8.290 nan 0.000 0.483 274 V N 3.872 123.707 119.914 -0.132 0.000 2.458 274 V HA 0.006 4.127 4.120 0.001 0.000 0.287 274 V C 0.692 176.681 176.094 -0.176 0.000 1.009 274 V CA 0.110 62.375 62.300 -0.057 0.000 1.091 274 V CB 0.731 32.589 31.823 0.058 0.000 0.960 274 V HN 0.589 nan 8.190 nan 0.000 0.476 275 L N 6.450 127.501 121.223 -0.286 0.000 2.282 275 L HA 0.536 4.876 4.340 0.001 0.000 0.288 275 L C -0.178 176.324 176.870 -0.612 0.000 1.033 275 L CA -0.278 54.344 54.840 -0.363 0.000 0.807 275 L CB 0.661 42.587 42.059 -0.222 0.000 1.209 275 L HN 0.613 nan 8.230 nan 0.000 0.423 276 H N 2.807 121.489 119.070 -0.646 0.000 2.469 276 H HA 0.360 4.916 4.556 0.000 0.000 0.342 276 H C -0.120 174.888 175.328 -0.534 0.000 1.115 276 H CA -0.293 55.342 56.048 -0.689 0.000 1.204 276 H CB 1.944 30.966 29.762 -1.233 0.000 1.492 276 H HN 0.732 nan 8.280 nan 0.000 0.499 277 T N -0.540 113.907 114.554 -0.179 0.000 2.924 277 T HA 0.181 4.531 4.350 0.001 0.000 0.301 277 T C 1.083 175.763 174.700 -0.032 0.000 1.120 277 T CA -0.220 61.820 62.100 -0.099 0.000 0.940 277 T CB 0.522 69.373 68.868 -0.028 0.000 1.591 277 T HN 0.451 nan 8.240 nan 0.000 0.578 278 T N -0.496 114.079 114.554 0.035 0.000 3.082 278 T HA 0.286 4.637 4.350 0.001 0.000 0.235 278 T C 2.200 176.965 174.700 0.108 0.000 0.991 278 T CA 0.553 62.681 62.100 0.048 0.000 1.220 278 T CB -1.017 67.847 68.868 -0.007 0.000 0.909 278 T HN 0.722 nan 8.240 nan 0.000 0.424 279 G N 1.211 110.100 108.800 0.149 0.000 2.464 279 G HA2 0.009 3.969 3.960 0.001 0.000 0.214 279 G HA3 0.009 3.969 3.960 0.001 0.000 0.214 279 G C 1.734 176.821 174.900 0.313 0.000 1.218 279 G CA 0.994 46.223 45.100 0.216 0.000 0.794 279 G HN 0.540 nan 8.290 nan 0.000 0.542 280 G N -0.361 108.679 108.800 0.400 0.000 2.422 280 G HA2 -0.228 3.732 3.960 0.001 0.000 0.218 280 G HA3 -0.228 3.732 3.960 0.001 0.000 0.218 280 G C 1.636 176.591 174.900 0.091 0.000 1.146 280 G CA 1.176 46.435 45.100 0.264 0.000 0.769 280 G HN 0.443 nan 8.290 nan 0.000 0.547 281 Y N 0.769 121.087 120.300 0.031 0.000 2.097 281 Y HA -0.111 4.440 4.550 0.002 0.000 0.282 281 Y C 2.462 178.379 175.900 0.028 0.000 1.152 281 Y CA 1.787 59.901 58.100 0.023 0.000 1.136 281 Y CB -0.453 38.014 38.460 0.011 0.000 0.975 281 Y HN 0.126 nan 8.280 nan 0.000 0.498 282 L N -0.460 120.734 121.223 -0.050 0.000 2.093 282 L HA -0.124 4.216 4.340 0.001 0.000 0.208 282 L C 2.324 179.100 176.870 -0.155 0.000 1.085 282 L CA 1.483 56.215 54.840 -0.180 0.000 0.755 282 L CB -0.920 41.092 42.059 -0.078 0.000 0.904 282 L HN 0.217 nan 8.230 nan 0.000 0.435 283 V N -1.187 118.717 119.914 -0.016 0.000 2.295 283 V HA -0.357 3.763 4.120 0.001 0.000 0.246 283 V C 2.250 178.395 176.094 0.086 0.000 1.049 283 V CA 2.218 64.571 62.300 0.089 0.000 1.024 283 V CB -0.842 31.120 31.823 0.232 0.000 0.648 283 V HN 0.549 nan 8.190 nan 0.000 0.447 284 Y N 0.734 120.967 120.300 -0.111 0.000 2.181 284 Y HA -0.211 4.339 4.550 0.000 0.000 0.288 284 Y C 2.421 178.179 175.900 -0.237 0.000 1.146 284 Y CA 1.609 59.636 58.100 -0.121 0.000 1.164 284 Y CB -0.345 37.996 38.460 -0.198 0.000 0.982 284 Y HN 0.187 nan 8.280 nan 0.000 0.515 285 A N 0.166 122.743 122.820 -0.405 0.000 1.883 285 A HA -0.206 4.114 4.320 0.001 0.000 0.217 285 A C 2.370 179.740 177.584 -0.357 0.000 1.186 285 A CA 2.022 53.706 52.037 -0.588 0.000 0.624 285 A CB -1.483 17.041 19.000 -0.793 0.000 0.822 285 A HN 0.559 nan 8.150 nan 0.000 0.444 286 A N -1.049 121.636 122.820 -0.225 0.000 1.855 286 A HA -0.070 4.251 4.320 0.001 0.000 0.215 286 A C 2.329 179.887 177.584 -0.042 0.000 1.191 286 A CA 2.327 54.300 52.037 -0.107 0.000 0.613 286 A CB -1.398 17.559 19.000 -0.071 0.000 0.829 286 A HN 0.441 nan 8.150 nan 0.000 0.442 287 T N 0.602 115.125 114.554 -0.053 0.000 2.684 287 T HA -0.187 4.163 4.350 0.001 0.000 0.267 287 T C 2.142 176.809 174.700 -0.055 0.000 1.036 287 T CA 2.424 64.493 62.100 -0.052 0.000 1.148 287 T CB -0.926 68.099 68.868 0.262 0.000 0.863 287 T HN 0.797 nan 8.240 nan 0.000 0.436 288 T N 1.002 115.402 114.554 -0.257 0.000 2.708 288 T HA -0.104 4.246 4.350 0.001 0.000 0.266 288 T C 1.715 176.292 174.700 -0.205 0.000 1.037 288 T CA 1.109 62.883 62.100 -0.543 0.000 1.146 288 T CB -0.921 67.288 68.868 -1.098 0.000 0.865 288 T HN 0.350 nan 8.240 nan 0.000 0.435 289 F N 2.541 122.389 119.950 -0.170 0.000 2.046 289 F HA -0.035 4.493 4.527 0.001 0.000 0.297 289 F C 2.481 178.353 175.800 0.120 0.000 1.123 289 F CA 1.780 59.833 58.000 0.088 0.000 1.199 289 F CB -0.368 38.656 39.000 0.041 0.000 0.972 289 F HN 0.030 nan 8.300 nan 0.000 0.474 290 K N -0.568 119.871 120.400 0.066 0.000 2.000 290 K HA -0.283 4.037 4.320 0.001 0.000 0.218 290 K C 2.190 178.824 176.600 0.056 0.000 1.053 290 K CA 2.599 58.882 56.287 -0.007 0.000 0.946 290 K CB -0.748 31.664 32.500 -0.146 0.000 0.723 290 K HN 0.510 nan 8.250 nan 0.000 0.446 291 Y N -0.715 119.666 120.300 0.135 0.000 2.206 291 Y HA -0.144 4.411 4.550 0.008 0.000 0.292 291 Y C 2.285 178.210 175.900 0.042 0.000 1.123 291 Y CA 0.304 58.504 58.100 0.167 0.000 1.142 291 Y CB 0.167 38.844 38.460 0.362 0.000 1.006 291 Y HN -0.101 nan 8.280 nan 0.000 0.518 292 V N -0.694 119.254 119.914 0.057 0.000 2.515 292 V HA -0.266 3.854 4.120 0.001 0.000 0.250 292 V C 1.193 177.021 176.094 -0.444 0.000 1.058 292 V CA 1.692 63.832 62.300 -0.266 0.000 1.064 292 V CB -0.568 30.960 31.823 -0.492 0.000 0.675 292 V HN 0.339 nan 8.190 nan 0.000 0.461 293 F N -0.674 119.211 119.950 -0.109 0.000 2.693 293 F HA 0.267 4.795 4.527 0.002 0.000 0.303 293 F C 1.027 176.810 175.800 -0.029 0.000 1.097 293 F CA 0.134 58.057 58.000 -0.127 0.000 1.330 293 F CB -0.036 38.794 39.000 -0.283 0.000 1.067 293 F HN 0.129 nan 8.300 nan 0.000 0.565 294 D N 0.660 121.151 120.400 0.153 0.000 2.686 294 D HA -0.323 4.317 4.640 0.001 0.000 0.235 294 D C -0.221 176.232 176.300 0.256 0.000 1.160 294 D CA 0.355 54.485 54.000 0.217 0.000 0.645 294 D CB -1.457 39.474 40.800 0.218 0.000 1.039 294 D HN 0.449 nan 8.370 nan 0.000 0.423 295 Y N 0.975 121.296 120.300 0.034 0.000 2.544 295 Y HA 0.331 4.881 4.550 -0.000 0.000 0.330 295 Y C 0.076 176.035 175.900 0.097 0.000 1.136 295 Y CA 0.184 58.305 58.100 0.035 0.000 1.417 295 Y CB 0.386 38.751 38.460 -0.159 0.000 1.229 295 Y HN 0.155 nan 8.280 nan 0.000 0.532 296 H N 6.530 125.062 119.070 -0.897 0.000 2.524 296 H HA 0.378 4.934 4.556 -0.000 0.000 0.353 296 H C -2.449 172.296 175.328 -0.971 0.000 1.136 296 H CA -2.302 53.350 56.048 -0.660 0.000 1.193 296 H CB 1.276 30.873 29.762 -0.276 0.000 1.558 296 H HN 0.523 nan 8.280 nan 0.000 0.515 297 P HA -0.043 nan 4.420 nan 0.000 0.261 297 P C 0.868 178.156 177.300 -0.019 0.000 1.165 297 P CA 1.900 64.961 63.100 -0.065 0.000 0.759 297 P CB 0.404 32.132 31.700 0.047 0.000 0.772 298 G N 2.249 111.104 108.800 0.091 0.000 2.234 298 G HA2 -0.186 3.774 3.960 0.001 0.000 0.235 298 G HA3 -0.186 3.774 3.960 0.001 0.000 0.235 298 G C -0.149 174.825 174.900 0.123 0.000 0.997 298 G CA -0.365 44.798 45.100 0.105 0.000 0.623 298 G HN 0.507 nan 8.290 nan 0.000 0.514 299 D N 1.511 121.970 120.400 0.099 0.000 2.417 299 D HA 0.376 5.016 4.640 0.001 0.000 0.250 299 D C 0.782 177.294 176.300 0.353 0.000 1.166 299 D CA 0.211 54.323 54.000 0.187 0.000 0.881 299 D CB 0.791 41.676 40.800 0.141 0.000 1.164 299 D HN 0.164 nan 8.370 nan 0.000 0.467 300 I N 3.001 123.734 120.570 0.271 0.000 2.315 300 I HA 0.155 4.326 4.170 0.001 0.000 0.291 300 I C -0.231 176.080 176.117 0.322 0.000 1.006 300 I CA -0.723 60.737 61.300 0.266 0.000 1.265 300 I CB 0.087 38.191 38.000 0.174 0.000 1.387 300 I HN 0.306 nan 8.210 nan 0.000 0.475 301 Y N 7.143 127.575 120.300 0.221 0.000 2.364 301 Y HA 0.503 5.054 4.550 0.001 0.000 0.340 301 Y C -1.432 174.635 175.900 0.279 0.000 0.975 301 Y CA -0.759 57.479 58.100 0.231 0.000 1.089 301 Y CB 1.586 40.223 38.460 0.294 0.000 1.192 301 Y HN 0.603 nan 8.280 nan 0.000 0.454 302 W N 8.701 129.651 121.300 -0.583 0.000 2.543 302 W HA 0.512 5.172 4.660 0.000 0.000 0.318 302 W C -1.717 174.455 176.519 -0.578 0.000 1.002 302 W CA -1.777 55.293 57.345 -0.457 0.000 1.302 302 W CB 0.778 30.122 29.460 -0.194 0.000 1.299 302 W HN 0.859 nan 8.180 nan 0.000 0.424 303 C N 6.419 125.503 119.300 -0.360 0.000 2.330 303 C HA 0.557 5.017 4.460 0.001 0.000 0.344 303 C C 1.612 176.510 174.990 -0.155 0.000 1.273 303 C CA 0.374 59.285 59.018 -0.177 0.000 1.879 303 C CB 0.267 28.170 27.740 0.271 0.000 2.376 303 C HN 0.768 nan 8.230 nan 0.000 0.534 304 T N 2.711 117.054 114.554 -0.352 0.000 3.107 304 T HA 0.320 4.670 4.350 0.001 0.000 0.249 304 T C 0.682 175.406 174.700 0.040 0.000 1.096 304 T CA 0.491 62.460 62.100 -0.217 0.000 1.012 304 T CB -0.207 68.404 68.868 -0.429 0.000 0.977 304 T HN 1.149 nan 8.240 nan 0.000 0.527 305 A N 1.378 124.237 122.820 0.065 0.000 2.407 305 A HA 0.414 4.734 4.320 0.001 0.000 0.248 305 A C 0.019 177.742 177.584 0.231 0.000 1.082 305 A CA -0.513 51.620 52.037 0.160 0.000 0.785 305 A CB -0.144 18.973 19.000 0.195 0.000 1.020 305 A HN 0.527 nan 8.150 nan 0.000 0.489 306 D N 1.425 122.002 120.400 0.294 0.000 2.417 306 D HA 0.159 4.799 4.640 0.001 0.000 0.250 306 D C 1.183 177.567 176.300 0.139 0.000 1.166 306 D CA 0.188 54.308 54.000 0.200 0.000 0.881 306 D CB 0.877 41.794 40.800 0.195 0.000 1.164 306 D HN 0.202 nan 8.370 nan 0.000 0.467 307 V N 4.169 124.131 119.914 0.080 0.000 2.495 307 V HA -0.255 3.866 4.120 0.001 0.000 0.260 307 V C 1.974 178.107 176.094 0.066 0.000 1.097 307 V CA 2.552 64.872 62.300 0.034 0.000 1.105 307 V CB -0.553 31.226 31.823 -0.074 0.000 0.678 307 V HN 0.846 nan 8.190 nan 0.000 0.469 308 G N -2.284 106.462 108.800 -0.090 0.000 2.848 308 G HA2 -0.058 3.902 3.960 0.001 0.000 0.208 308 G HA3 -0.058 3.902 3.960 0.001 0.000 0.208 308 G C 0.174 174.868 174.900 -0.344 0.000 1.152 308 G CA -0.265 44.712 45.100 -0.205 0.000 0.789 308 G HN 0.608 nan 8.290 nan 0.000 0.531 309 W N -2.234 119.163 121.300 0.163 0.000 2.736 309 W HA 0.499 5.159 4.660 0.000 0.000 0.355 309 W C 1.013 177.533 176.519 0.002 0.000 1.102 309 W CA -1.237 56.132 57.345 0.039 0.000 1.164 309 W CB 1.429 30.886 29.460 -0.004 0.000 1.422 309 W HN -0.254 nan 8.180 nan 0.000 0.572 310 V N 1.192 121.229 119.914 0.205 0.000 2.490 310 V HA -0.260 3.860 4.120 0.001 0.000 0.250 310 V C 1.645 178.044 176.094 0.509 0.000 1.061 310 V CA 2.822 65.220 62.300 0.164 0.000 1.064 310 V CB -0.566 31.386 31.823 0.213 0.000 0.670 310 V HN 0.834 nan 8.190 nan 0.000 0.461 311 T N 0.086 114.944 114.554 0.507 0.000 2.788 311 T HA -0.103 4.248 4.350 0.001 0.000 0.268 311 T C 1.718 176.778 174.700 0.600 0.000 1.044 311 T CA 1.456 64.013 62.100 0.762 0.000 1.139 311 T CB -0.712 68.466 68.868 0.517 0.000 0.867 311 T HN 0.661 nan 8.240 nan 0.000 0.454 312 G N 0.602 109.665 108.800 0.438 0.000 2.408 312 G HA2 -0.211 3.750 3.960 0.001 0.000 0.217 312 G HA3 -0.211 3.750 3.960 0.001 0.000 0.217 312 G C 1.246 176.278 174.900 0.220 0.000 1.150 312 G CA 0.679 45.966 45.100 0.313 0.000 0.776 312 G HN 0.474 nan 8.290 nan 0.000 0.542 313 H N 1.016 120.105 119.070 0.031 0.000 2.256 313 H HA 0.031 4.587 4.556 0.000 0.000 0.299 313 H C 3.050 178.340 175.328 -0.063 0.000 1.071 313 H CA 1.690 57.648 56.048 -0.149 0.000 1.280 313 H CB -0.492 29.147 29.762 -0.206 0.000 1.370 313 H HN 0.287 nan 8.280 nan 0.000 0.490 314 S N -0.610 115.230 115.700 0.233 0.000 2.387 314 S HA -0.085 4.385 4.470 0.001 0.000 0.226 314 S C 1.251 175.469 174.600 -0.636 0.000 1.026 314 S CA 1.186 59.234 58.200 -0.253 0.000 0.972 314 S CB -0.088 62.732 63.200 -0.633 0.000 0.814 314 S HN 0.453 nan 8.310 nan 0.000 0.477 315 Y N -0.411 120.066 120.300 0.295 0.000 2.453 315 Y HA 0.396 4.946 4.550 -0.000 0.000 0.247 315 Y C 1.656 177.829 175.900 0.455 0.000 1.124 315 Y CA -0.388 57.950 58.100 0.398 0.000 1.243 315 Y CB 0.324 39.228 38.460 0.741 0.000 1.213 315 Y HN 0.139 nan 8.280 nan 0.000 0.523 316 L N -0.435 121.006 121.223 0.363 0.000 2.269 316 L HA 0.152 4.493 4.340 0.001 0.000 0.200 316 L C 1.353 178.260 176.870 0.063 0.000 1.069 316 L CA 1.532 56.539 54.840 0.279 0.000 0.804 316 L CB -0.496 41.683 42.059 0.200 0.000 0.987 316 L HN 0.250 nan 8.230 nan 0.000 0.468 317 L N -2.112 119.038 121.223 -0.121 0.000 2.471 317 L HA -0.057 4.283 4.340 0.001 0.000 0.186 317 L C 2.508 179.239 176.870 -0.232 0.000 1.191 317 L CA 0.354 55.020 54.840 -0.291 0.000 0.835 317 L CB -0.604 41.054 42.059 -0.668 0.000 1.092 317 L HN 0.069 nan 8.230 nan 0.000 0.495 318 Y N 0.627 120.854 120.300 -0.121 0.000 2.184 318 Y HA -0.055 4.495 4.550 0.000 0.000 0.290 318 Y C 2.526 178.263 175.900 -0.272 0.000 1.129 318 Y CA 0.941 58.968 58.100 -0.122 0.000 1.144 318 Y CB -1.436 37.049 38.460 0.042 0.000 0.995 318 Y HN 0.138 nan 8.280 nan 0.000 0.513 319 G N 0.349 108.978 108.800 -0.285 0.000 2.459 319 G HA2 -0.211 3.749 3.960 0.001 0.000 0.217 319 G HA3 -0.211 3.749 3.960 0.001 0.000 0.217 319 G C -0.555 173.824 174.900 -0.869 0.000 1.183 319 G CA 0.978 45.783 45.100 -0.491 0.000 0.776 319 G HN 0.281 nan 8.290 nan 0.000 0.552 320 P HA -0.070 nan 4.420 nan 0.000 0.215 320 P C 2.037 178.951 177.300 -0.644 0.000 1.157 320 P CA 0.916 63.188 63.100 -1.380 0.000 0.874 320 P CB -0.140 31.060 31.700 -0.833 0.000 0.790 321 L N -1.435 119.603 121.223 -0.308 0.000 2.109 321 L HA -0.074 4.266 4.340 0.001 0.000 0.207 321 L C 2.499 179.392 176.870 0.038 0.000 1.086 321 L CA 1.220 56.030 54.840 -0.050 0.000 0.760 321 L CB -1.196 40.895 42.059 0.053 0.000 0.910 321 L HN -0.071 nan 8.230 nan 0.000 0.437 322 A N -0.737 122.080 122.820 -0.006 0.000 1.940 322 A HA -0.242 4.079 4.320 0.001 0.000 0.219 322 A C 2.225 179.852 177.584 0.071 0.000 1.176 322 A CA 1.938 54.019 52.037 0.074 0.000 0.631 322 A CB -1.091 17.890 19.000 -0.031 0.000 0.814 322 A HN 0.563 nan 8.150 nan 0.000 0.446 323 C N -1.495 117.721 119.300 -0.139 0.000 2.562 323 C HA 0.427 4.887 4.460 0.001 0.000 0.266 323 C C 1.958 176.829 174.990 -0.199 0.000 1.382 323 C CA 0.283 59.229 59.018 -0.121 0.000 1.742 323 C CB -1.127 26.517 27.740 -0.159 0.000 1.812 323 C HN 1.118 nan 8.230 nan 0.000 0.559 324 G N 0.509 109.034 108.800 -0.457 0.000 2.136 324 G HA2 -0.038 3.922 3.960 0.001 0.000 0.242 324 G HA3 -0.038 3.922 3.960 0.001 0.000 0.242 324 G C 0.115 174.909 174.900 -0.177 0.000 0.989 324 G CA 0.236 44.900 45.100 -0.726 0.000 0.682 324 G HN 0.879 nan 8.290 nan 0.000 0.522 325 A N -0.264 122.443 122.820 -0.188 0.000 2.332 325 A HA 0.738 5.059 4.320 0.001 0.000 0.258 325 A C 0.786 178.451 177.584 0.136 0.000 1.087 325 A CA 0.840 52.832 52.037 -0.075 0.000 0.802 325 A CB 0.442 19.169 19.000 -0.455 0.000 1.042 325 A HN 0.809 nan 8.150 nan 0.000 0.489 326 T N 1.614 116.305 114.554 0.228 0.000 2.749 326 T HA 0.449 4.799 4.350 0.001 0.000 0.295 326 T C 0.094 174.905 174.700 0.186 0.000 0.936 326 T CA 0.277 62.477 62.100 0.167 0.000 1.060 326 T CB 0.611 69.586 68.868 0.178 0.000 0.904 326 T HN 0.673 nan 8.240 nan 0.000 0.500 327 T N 3.842 118.460 114.554 0.107 0.000 2.807 327 T HA 0.581 4.931 4.350 0.001 0.000 0.279 327 T C -0.633 174.113 174.700 0.075 0.000 0.993 327 T CA -0.742 61.481 62.100 0.205 0.000 0.970 327 T CB 0.596 69.577 68.868 0.188 0.000 0.950 327 T HN 0.497 nan 8.240 nan 0.000 0.441 328 L N 5.864 127.134 121.223 0.079 0.000 2.289 328 L HA 0.675 5.016 4.340 0.001 0.000 0.285 328 L C -0.286 176.596 176.870 0.019 0.000 1.049 328 L CA -0.661 54.111 54.840 -0.113 0.000 0.804 328 L CB 1.057 42.900 42.059 -0.361 0.000 1.195 328 L HN 0.711 nan 8.230 nan 0.000 0.428 329 M N 5.496 125.088 119.600 -0.014 0.000 2.167 329 M HA 0.362 4.843 4.480 0.001 0.000 0.333 329 M C -1.757 174.591 176.300 0.081 0.000 1.030 329 M CA -0.615 54.767 55.300 0.137 0.000 0.963 329 M CB 1.264 33.989 32.600 0.208 0.000 1.589 329 M HN 0.560 nan 8.290 nan 0.000 0.431 330 F N 4.113 124.062 119.950 -0.002 0.000 2.444 330 F HA 0.346 4.873 4.527 0.001 0.000 0.342 330 F C 0.762 176.552 175.800 -0.017 0.000 1.121 330 F CA -0.690 57.243 58.000 -0.112 0.000 0.997 330 F CB 1.356 40.417 39.000 0.102 0.000 1.130 330 F HN 0.787 nan 8.300 nan 0.000 0.454 331 E N 2.999 122.888 120.200 -0.518 0.000 2.285 331 E HA 0.127 4.477 4.350 0.001 0.000 0.194 331 E C 0.909 177.101 176.600 -0.680 0.000 0.997 331 E CA 0.555 56.713 56.400 -0.403 0.000 0.845 331 E CB 0.144 29.712 29.700 -0.221 0.000 0.782 331 E HN 0.900 nan 8.360 nan 0.000 0.491 332 G N 0.292 108.165 108.800 -1.545 0.000 2.782 332 G HA2 0.436 4.396 3.960 0.001 0.000 0.201 332 G HA3 0.436 4.396 3.960 0.001 0.000 0.201 332 G C -0.372 174.120 174.900 -0.680 0.000 1.374 332 G CA 0.058 44.537 45.100 -1.036 0.000 1.039 332 G HN 0.118 nan 8.290 nan 0.000 0.576 333 V N -2.711 117.173 119.914 -0.051 0.000 2.864 333 V HA 0.603 4.723 4.120 0.001 0.000 0.314 333 V C -1.903 174.517 176.094 0.544 0.000 1.073 333 V CA -1.901 60.549 62.300 0.250 0.000 0.956 333 V CB 2.164 34.081 31.823 0.156 0.000 1.023 333 V HN 0.489 nan 8.190 nan 0.000 0.435 334 P HA -0.055 nan 4.420 nan 0.000 0.230 334 P C 0.498 177.951 177.300 0.255 0.000 1.158 334 P CA 1.252 64.561 63.100 0.349 0.000 0.769 334 P CB -0.156 31.657 31.700 0.189 0.000 0.807 335 N N -2.910 115.941 118.700 0.251 0.000 2.338 335 N HA 0.119 4.859 4.740 0.001 0.000 0.251 335 N C -0.782 174.880 175.510 0.254 0.000 1.199 335 N CA -0.715 52.453 53.050 0.197 0.000 0.879 335 N CB 0.003 38.575 38.487 0.141 0.000 1.159 335 N HN 0.048 nan 8.380 nan 0.000 0.514 336 W N 1.762 123.137 121.300 0.126 0.000 2.957 336 W HA 0.433 5.093 4.660 0.000 0.000 0.336 336 W C -2.431 174.156 176.519 0.114 0.000 1.087 336 W CA -1.717 55.687 57.345 0.098 0.000 1.235 336 W CB 2.120 31.624 29.460 0.074 0.000 1.399 336 W HN -0.171 nan 8.180 nan 0.000 0.480 337 P HA -0.050 nan 4.420 nan 0.000 0.219 337 P C 0.338 177.314 177.300 -0.541 0.000 1.150 337 P CA 1.595 63.908 63.100 -1.313 0.000 0.814 337 P CB 0.249 31.304 31.700 -1.076 0.000 0.787 338 T N -6.346 108.062 114.554 -0.244 0.000 2.916 338 T HA 0.451 4.802 4.350 0.001 0.000 0.292 338 T C -2.431 172.262 174.700 -0.012 0.000 1.064 338 T CA -2.388 59.646 62.100 -0.110 0.000 1.011 338 T CB 1.841 70.651 68.868 -0.097 0.000 1.152 338 T HN -0.303 nan 8.240 nan 0.000 0.510 339 P HA 0.105 nan 4.420 nan 0.000 0.225 339 P C 1.207 178.550 177.300 0.071 0.000 1.148 339 P CA 0.738 63.874 63.100 0.061 0.000 0.779 339 P CB -0.234 31.502 31.700 0.059 0.000 0.780 340 A N -0.624 122.220 122.820 0.041 0.000 2.235 340 A HA -0.063 4.257 4.320 0.001 0.000 0.208 340 A C 2.228 179.830 177.584 0.030 0.000 1.172 340 A CA 0.606 52.666 52.037 0.037 0.000 0.786 340 A CB -0.906 18.099 19.000 0.009 0.000 0.804 340 A HN -0.049 nan 8.150 nan 0.000 0.479 341 R N 0.211 120.736 120.500 0.041 0.000 2.083 341 R HA -0.145 4.195 4.340 0.001 0.000 0.237 341 R C 2.010 178.326 176.300 0.027 0.000 1.137 341 R CA 2.374 58.494 56.100 0.034 0.000 0.951 341 R CB -0.671 29.695 30.300 0.111 0.000 0.851 341 R HN 0.554 nan 8.270 nan 0.000 0.434 342 M N -0.717 118.944 119.600 0.102 0.000 2.106 342 M HA -0.236 4.245 4.480 0.001 0.000 0.259 342 M C 1.731 178.133 176.300 0.171 0.000 1.068 342 M CA 2.107 57.514 55.300 0.179 0.000 1.100 342 M CB -0.183 32.502 32.600 0.143 0.000 1.351 342 M HN 0.346 nan 8.290 nan 0.000 0.404 343 C N 0.251 119.606 119.300 0.091 0.000 2.468 343 C HA -0.041 4.419 4.460 0.001 0.000 0.277 343 C C 2.446 177.437 174.990 0.002 0.000 1.400 343 C CA 0.512 59.563 59.018 0.055 0.000 1.770 343 C CB -1.106 26.652 27.740 0.029 0.000 1.905 343 C HN 0.628 nan 8.230 nan 0.000 0.519 344 Q N 0.219 120.001 119.800 -0.029 0.000 2.119 344 Q HA -0.118 4.222 4.340 0.001 0.000 0.201 344 Q C 2.306 178.219 176.000 -0.145 0.000 0.972 344 Q CA 1.370 57.123 55.803 -0.084 0.000 0.847 344 Q CB -0.078 28.608 28.738 -0.088 0.000 0.903 344 Q HN 0.571 nan 8.270 nan 0.000 0.433 345 V N -0.107 119.699 119.914 -0.180 0.000 2.307 345 V HA -0.239 3.881 4.120 0.001 0.000 0.245 345 V C 2.208 178.187 176.094 -0.191 0.000 1.045 345 V CA 1.397 63.502 62.300 -0.324 0.000 1.024 345 V CB -0.625 30.743 31.823 -0.759 0.000 0.651 345 V HN 0.183 nan 8.190 nan 0.000 0.449 346 V N 0.461 120.372 119.914 -0.006 0.000 2.250 346 V HA -0.357 3.764 4.120 0.001 0.000 0.250 346 V C 2.356 178.442 176.094 -0.014 0.000 1.060 346 V CA 2.562 64.903 62.300 0.068 0.000 1.030 346 V CB -0.776 31.120 31.823 0.121 0.000 0.643 346 V HN 0.550 nan 8.190 nan 0.000 0.445 347 D N -0.566 119.803 120.400 -0.051 0.000 2.097 347 D HA -0.176 4.464 4.640 0.001 0.000 0.195 347 D C 2.208 178.434 176.300 -0.124 0.000 0.989 347 D CA 1.527 55.482 54.000 -0.074 0.000 0.827 347 D CB -0.267 40.487 40.800 -0.076 0.000 0.966 347 D HN 0.423 nan 8.370 nan 0.000 0.456 348 K N -0.268 120.000 120.400 -0.220 0.000 2.057 348 K HA -0.131 4.190 4.320 0.001 0.000 0.207 348 K C 1.195 177.537 176.600 -0.429 0.000 1.049 348 K CA 1.120 57.180 56.287 -0.378 0.000 0.931 348 K CB 0.090 32.245 32.500 -0.575 0.000 0.714 348 K HN 0.283 nan 8.250 nan 0.000 0.440 349 H N 0.276 119.286 119.070 -0.101 0.000 2.549 349 H HA 0.134 4.690 4.556 0.000 0.000 0.279 349 H C -0.151 175.163 175.328 -0.023 0.000 1.018 349 H CA 0.071 56.079 56.048 -0.067 0.000 1.175 349 H CB 0.783 30.450 29.762 -0.158 0.000 1.485 349 H HN 0.233 nan 8.280 nan 0.000 0.543 350 Q N 0.449 120.273 119.800 0.040 0.000 2.452 350 Q HA -0.137 4.203 4.340 0.001 0.000 0.318 350 Q C -0.164 175.880 176.000 0.073 0.000 1.386 350 Q CA 0.220 56.048 55.803 0.041 0.000 0.872 350 Q CB -2.171 26.592 28.738 0.041 0.000 1.151 350 Q HN 0.198 nan 8.270 nan 0.000 0.417 351 V N 0.956 120.920 119.914 0.084 0.000 2.599 351 V HA -0.094 4.027 4.120 0.001 0.000 0.300 351 V C 1.592 177.745 176.094 0.098 0.000 1.034 351 V CA 1.106 63.478 62.300 0.119 0.000 1.115 351 V CB 0.700 32.632 31.823 0.181 0.000 0.934 351 V HN 0.487 nan 8.190 nan 0.000 0.485 352 N N 3.357 122.127 118.700 0.116 0.000 2.454 352 N HA 0.308 5.048 4.740 0.001 0.000 0.177 352 N C -0.117 175.451 175.510 0.096 0.000 1.049 352 N CA 0.157 53.261 53.050 0.090 0.000 0.887 352 N CB 0.420 38.965 38.487 0.096 0.000 1.095 352 N HN 0.583 nan 8.380 nan 0.000 0.446 353 I N 1.515 122.169 120.570 0.140 0.000 2.418 353 I HA 0.321 4.491 4.170 0.001 0.000 0.287 353 I C -1.425 174.706 176.117 0.023 0.000 1.008 353 I CA -0.852 60.520 61.300 0.120 0.000 1.104 353 I CB 2.026 40.166 38.000 0.232 0.000 1.264 353 I HN -0.048 nan 8.210 nan 0.000 0.438 354 L N 7.753 128.983 121.223 0.012 0.000 2.341 354 L HA 0.573 4.913 4.340 0.001 0.000 0.278 354 L C -1.751 175.151 176.870 0.054 0.000 1.005 354 L CA -0.458 54.359 54.840 -0.037 0.000 0.818 354 L CB 1.493 43.548 42.059 -0.007 0.000 1.259 354 L HN 0.477 nan 8.230 nan 0.000 0.418 355 Y N 4.242 124.401 120.300 -0.234 0.000 2.333 355 Y HA 0.666 5.218 4.550 0.002 0.000 0.324 355 Y C -0.643 175.173 175.900 -0.139 0.000 1.033 355 Y CA -0.374 57.679 58.100 -0.079 0.000 1.224 355 Y CB 1.409 39.826 38.460 -0.072 0.000 1.120 355 Y HN 0.806 nan 8.280 nan 0.000 0.457 356 T N 3.213 117.649 114.554 -0.196 0.000 2.626 356 T HA 0.913 5.263 4.350 0.001 0.000 0.279 356 T C -1.433 173.067 174.700 -0.333 0.000 0.983 356 T CA -0.136 61.762 62.100 -0.336 0.000 1.059 356 T CB 1.076 69.753 68.868 -0.318 0.000 1.396 356 T HN 0.765 nan 8.240 nan 0.000 0.519 357 A N 1.293 123.934 122.820 -0.298 0.000 2.337 357 A HA 0.711 5.032 4.320 0.001 0.000 0.329 357 A C -2.102 175.333 177.584 -0.248 0.000 1.146 357 A CA -1.643 50.239 52.037 -0.257 0.000 0.800 357 A CB 1.019 19.877 19.000 -0.237 0.000 1.220 357 A HN 0.593 nan 8.150 nan 0.000 0.472 358 P HA -0.134 nan 4.420 nan 0.000 0.217 358 P C 1.488 178.701 177.300 -0.146 0.000 1.148 358 P CA 1.833 64.837 63.100 -0.161 0.000 0.828 358 P CB 0.143 31.795 31.700 -0.079 0.000 0.783 359 T N -0.743 113.722 114.554 -0.149 0.000 2.746 359 T HA -0.133 4.218 4.350 0.001 0.000 0.267 359 T C 1.873 176.502 174.700 -0.118 0.000 1.039 359 T CA 1.631 63.654 62.100 -0.127 0.000 1.142 359 T CB -0.880 67.896 68.868 -0.152 0.000 0.866 359 T HN 0.054 nan 8.240 nan 0.000 0.444 360 A N 1.222 123.961 122.820 -0.134 0.000 1.865 360 A HA -0.093 4.228 4.320 0.001 0.000 0.217 360 A C 2.245 179.755 177.584 -0.123 0.000 1.191 360 A CA 1.564 53.536 52.037 -0.109 0.000 0.623 360 A CB -0.900 18.029 19.000 -0.118 0.000 0.826 360 A HN 0.512 nan 8.150 nan 0.000 0.444 361 I N -0.772 119.690 120.570 -0.180 0.000 2.163 361 I HA -0.307 3.864 4.170 0.001 0.000 0.243 361 I C 2.771 178.750 176.117 -0.229 0.000 1.085 361 I CA 1.676 62.871 61.300 -0.174 0.000 1.347 361 I CB -0.350 37.491 38.000 -0.265 0.000 1.044 361 I HN 0.268 nan 8.210 nan 0.000 0.408 362 R N 0.517 120.904 120.500 -0.188 0.000 2.091 362 R HA -0.176 4.165 4.340 0.001 0.000 0.238 362 R C 2.440 178.617 176.300 -0.206 0.000 1.136 362 R CA 1.568 57.551 56.100 -0.195 0.000 0.959 362 R CB -0.566 29.668 30.300 -0.109 0.000 0.856 362 R HN 0.421 nan 8.270 nan 0.000 0.437 363 A N 1.155 123.890 122.820 -0.141 0.000 1.902 363 A HA -0.124 4.197 4.320 0.001 0.000 0.217 363 A C 2.163 179.672 177.584 -0.126 0.000 1.181 363 A CA 1.170 53.148 52.037 -0.098 0.000 0.623 363 A CB -0.473 18.502 19.000 -0.043 0.000 0.818 363 A HN 0.183 nan 8.150 nan 0.000 0.443 364 L N -1.567 119.563 121.223 -0.155 0.000 2.156 364 L HA -0.079 4.262 4.340 0.001 0.000 0.208 364 L C 2.749 179.377 176.870 -0.403 0.000 1.095 364 L CA 1.305 56.068 54.840 -0.129 0.000 0.770 364 L CB -0.427 41.661 42.059 0.047 0.000 0.914 364 L HN 0.511 nan 8.230 nan 0.000 0.439 365 M N -0.025 119.078 119.600 -0.828 0.000 2.159 365 M HA -0.173 4.308 4.480 0.001 0.000 0.263 365 M C 2.318 178.274 176.300 -0.573 0.000 1.063 365 M CA 1.831 56.360 55.300 -1.284 0.000 1.110 365 M CB -0.064 31.843 32.600 -1.156 0.000 1.374 365 M HN 0.261 nan 8.290 nan 0.000 0.411 366 A N -0.041 122.581 122.820 -0.330 0.000 2.019 366 A HA -0.130 4.190 4.320 0.001 0.000 0.219 366 A C 1.748 179.270 177.584 -0.104 0.000 1.164 366 A CA 1.459 53.392 52.037 -0.172 0.000 0.644 366 A CB -0.498 18.433 19.000 -0.114 0.000 0.805 366 A HN 0.558 nan 8.150 nan 0.000 0.449 367 E N -0.754 119.390 120.200 -0.094 0.000 2.442 367 E HA 0.246 4.596 4.350 0.001 0.000 0.195 367 E C 1.441 178.070 176.600 0.048 0.000 1.030 367 E CA 0.628 57.021 56.400 -0.010 0.000 0.869 367 E CB -0.418 29.291 29.700 0.015 0.000 0.857 367 E HN 0.649 nan 8.360 nan 0.000 0.505 368 G N 2.405 111.247 108.800 0.069 0.000 2.547 368 G HA2 -0.335 3.626 3.960 0.001 0.000 0.271 368 G HA3 -0.335 3.626 3.960 0.001 0.000 0.271 368 G C 0.375 175.468 174.900 0.323 0.000 1.209 368 G CA 0.258 45.494 45.100 0.226 0.000 0.959 368 G HN 0.200 nan 8.290 nan 0.000 0.563 369 D N 0.786 121.315 120.400 0.214 0.000 2.378 369 D HA 0.014 4.655 4.640 0.001 0.000 0.222 369 D C 2.265 178.632 176.300 0.112 0.000 0.980 369 D CA 0.938 55.026 54.000 0.147 0.000 0.907 369 D CB -0.057 40.792 40.800 0.082 0.000 0.899 369 D HN 0.524 nan 8.370 nan 0.000 0.527 370 K N 0.317 120.784 120.400 0.110 0.000 2.280 370 K HA -0.019 4.302 4.320 0.001 0.000 0.202 370 K C 1.842 178.499 176.600 0.094 0.000 1.047 370 K CA 0.742 57.075 56.287 0.076 0.000 0.942 370 K CB 0.136 32.670 32.500 0.056 0.000 0.739 370 K HN 0.044 nan 8.250 nan 0.000 0.457 371 A N 1.327 124.246 122.820 0.165 0.000 2.067 371 A HA -0.035 4.286 4.320 0.001 0.000 0.217 371 A C 1.870 179.537 177.584 0.139 0.000 1.156 371 A CA 0.809 52.965 52.037 0.199 0.000 0.683 371 A CB -0.333 18.902 19.000 0.391 0.000 0.808 371 A HN 0.437 nan 8.150 nan 0.000 0.455 372 I N -3.940 116.686 120.570 0.093 0.000 4.154 372 I HA 0.304 4.475 4.170 0.001 0.000 0.334 372 I C 0.444 176.561 176.117 0.000 0.000 1.371 372 I CA -0.268 61.043 61.300 0.018 0.000 1.110 372 I CB 0.088 38.059 38.000 -0.049 0.000 1.085 372 I HN 0.121 nan 8.210 nan 0.000 0.398 373 E N 2.583 122.792 120.200 0.016 0.000 2.415 373 E HA 0.216 4.567 4.350 0.001 0.000 0.263 373 E C 1.267 177.859 176.600 -0.014 0.000 0.995 373 E CA 0.931 57.332 56.400 0.001 0.000 0.915 373 E CB 0.413 30.119 29.700 0.009 0.000 0.951 373 E HN 0.564 nan 8.360 nan 0.000 0.449 374 G N 3.365 112.152 108.800 -0.022 0.000 2.155 374 G HA2 -0.309 3.652 3.960 0.001 0.000 0.257 374 G HA3 -0.309 3.652 3.960 0.001 0.000 0.257 374 G C 0.319 175.198 174.900 -0.036 0.000 0.983 374 G CA 0.857 45.940 45.100 -0.029 0.000 0.676 374 G HN 0.770 nan 8.290 nan 0.000 0.528 375 T N -3.908 110.625 114.554 -0.036 0.000 2.948 375 T HA 0.703 5.053 4.350 0.001 0.000 0.285 375 T C 0.524 175.194 174.700 -0.051 0.000 1.019 375 T CA 0.282 62.356 62.100 -0.042 0.000 1.013 375 T CB 2.688 71.535 68.868 -0.035 0.000 1.117 375 T HN -0.031 nan 8.240 nan 0.000 0.533 376 D N -0.318 120.049 120.400 -0.054 0.000 2.840 376 D HA 0.080 4.720 4.640 0.001 0.000 0.277 376 D C 0.816 177.073 176.300 -0.072 0.000 1.066 376 D CA 0.214 54.178 54.000 -0.060 0.000 0.979 376 D CB 0.345 41.113 40.800 -0.054 0.000 1.157 376 D HN 0.717 nan 8.370 nan 0.000 0.466 377 R N -0.430 120.031 120.500 -0.065 0.000 3.989 377 R HA -0.134 4.206 4.340 0.001 0.000 0.377 377 R C 1.391 177.643 176.300 -0.080 0.000 1.158 377 R CA 0.768 56.825 56.100 -0.072 0.000 1.035 377 R CB -2.145 28.095 30.300 -0.100 0.000 1.557 377 R HN 0.023 nan 8.270 nan 0.000 0.551 378 S N -0.223 115.435 115.700 -0.070 0.000 2.453 378 S HA -0.113 4.357 4.470 0.001 0.000 0.231 378 S C 1.792 176.358 174.600 -0.057 0.000 1.005 378 S CA 1.146 59.303 58.200 -0.071 0.000 0.949 378 S CB 0.060 63.223 63.200 -0.061 0.000 0.774 378 S HN 0.650 nan 8.310 nan 0.000 0.510 379 S N 1.208 116.885 115.700 -0.039 0.000 2.447 379 S HA 0.070 4.541 4.470 0.001 0.000 0.233 379 S C 0.627 175.216 174.600 -0.017 0.000 1.006 379 S CA 0.236 58.424 58.200 -0.019 0.000 0.957 379 S CB -0.617 62.583 63.200 0.000 0.000 0.773 379 S HN 0.367 nan 8.310 nan 0.000 0.507 380 L N 1.634 122.836 121.223 -0.035 0.000 2.416 380 L HA 0.297 4.637 4.340 0.001 0.000 0.272 380 L C 1.685 178.522 176.870 -0.055 0.000 1.161 380 L CA -0.195 54.622 54.840 -0.039 0.000 0.845 380 L CB 0.637 42.651 42.059 -0.075 0.000 1.119 380 L HN 0.215 nan 8.230 nan 0.000 0.464 381 R N 2.787 123.269 120.500 -0.029 0.000 2.310 381 R HA 0.373 4.713 4.340 0.001 0.000 0.199 381 R C -0.447 175.841 176.300 -0.020 0.000 0.891 381 R CA 0.057 56.138 56.100 -0.031 0.000 1.060 381 R CB 0.979 31.270 30.300 -0.016 0.000 1.188 381 R HN 0.386 nan 8.270 nan 0.000 0.607 382 I N 1.899 122.475 120.570 0.010 0.000 2.533 382 I HA 0.363 4.534 4.170 0.001 0.000 0.290 382 I C -0.538 175.595 176.117 0.027 0.000 1.056 382 I CA -0.699 60.628 61.300 0.045 0.000 1.057 382 I CB 2.052 40.142 38.000 0.150 0.000 1.240 382 I HN -0.008 nan 8.210 nan 0.000 0.423 383 L N 4.022 125.233 121.223 -0.020 0.000 2.322 383 L HA 0.947 5.287 4.340 0.001 0.000 0.269 383 L C 0.358 177.330 176.870 0.170 0.000 1.012 383 L CA -0.604 54.221 54.840 -0.026 0.000 0.815 383 L CB 2.324 44.128 42.059 -0.425 0.000 1.295 383 L HN 0.737 nan 8.230 nan 0.000 0.438 384 G N -0.316 108.705 108.800 0.368 0.000 2.696 384 G HA2 0.555 4.515 3.960 0.001 0.000 0.295 384 G HA3 0.555 4.515 3.960 0.001 0.000 0.295 384 G C -1.877 173.337 174.900 0.523 0.000 1.398 384 G CA -0.318 45.083 45.100 0.503 0.000 0.920 384 G HN 0.423 nan 8.290 nan 0.000 0.492 385 S N -0.692 115.246 115.700 0.396 0.000 2.548 385 S HA 0.776 5.246 4.470 0.001 0.000 0.276 385 S C -1.391 173.319 174.600 0.183 0.000 1.129 385 S CA -0.597 57.701 58.200 0.163 0.000 0.931 385 S CB 1.844 65.105 63.200 0.101 0.000 1.068 385 S HN 1.540 nan 8.310 nan 0.000 0.480 386 V N 3.801 123.723 119.914 0.013 0.000 3.087 386 V HA 0.794 4.914 4.120 0.001 0.000 0.306 386 V C 0.662 176.706 176.094 -0.083 0.000 1.187 386 V CA 0.748 63.067 62.300 0.031 0.000 0.999 386 V CB 1.418 33.253 31.823 0.021 0.000 1.049 386 V HN 1.733 nan 8.190 nan 0.000 0.431 387 G N 3.786 112.536 108.800 -0.084 0.000 2.218 387 G HA2 -0.089 3.872 3.960 0.001 0.000 0.216 387 G HA3 -0.089 3.872 3.960 0.001 0.000 0.216 387 G C -0.116 174.713 174.900 -0.118 0.000 0.994 387 G CA 0.646 45.639 45.100 -0.177 0.000 0.637 387 G HN 1.659 nan 8.290 nan 0.000 0.505 388 E N -0.688 119.490 120.200 -0.037 0.000 2.396 388 E HA 0.504 4.854 4.350 0.001 0.000 0.280 388 E C -3.409 173.223 176.600 0.053 0.000 1.065 388 E CA -1.958 54.440 56.400 -0.003 0.000 0.831 388 E CB 0.934 30.599 29.700 -0.059 0.000 1.272 388 E HN 0.057 nan 8.360 nan 0.000 0.443 389 P HA 0.193 nan 4.420 nan 0.000 0.268 389 P C -0.678 176.677 177.300 0.092 0.000 1.205 389 P CA -0.144 63.016 63.100 0.101 0.000 0.771 389 P CB 0.490 32.249 31.700 0.098 0.000 0.858 390 I N 2.784 123.432 120.570 0.131 0.000 2.339 390 I HA 0.185 4.355 4.170 0.001 0.000 0.290 390 I C 0.461 176.689 176.117 0.185 0.000 0.994 390 I CA -0.909 60.483 61.300 0.153 0.000 1.191 390 I CB 0.448 38.574 38.000 0.210 0.000 1.343 390 I HN 0.356 nan 8.210 nan 0.000 0.458 391 N N 8.878 127.669 118.700 0.152 0.000 2.454 391 N HA 0.059 4.799 4.740 0.001 0.000 0.254 391 N C -1.956 173.680 175.510 0.210 0.000 1.228 391 N CA -0.835 52.306 53.050 0.151 0.000 0.900 391 N CB 1.440 39.989 38.487 0.102 0.000 1.089 391 N HN 0.367 nan 8.380 nan 0.000 0.449 392 P HA -0.183 nan 4.420 nan 0.000 0.218 392 P C 0.697 178.159 177.300 0.270 0.000 1.154 392 P CA 1.750 64.962 63.100 0.187 0.000 0.872 392 P CB 0.190 31.952 31.700 0.103 0.000 0.790 393 E N -0.795 119.532 120.200 0.212 0.000 2.077 393 E HA -0.139 4.212 4.350 0.001 0.000 0.193 393 E C 2.145 178.922 176.600 0.295 0.000 0.989 393 E CA 1.168 57.703 56.400 0.225 0.000 0.800 393 E CB -0.551 29.236 29.700 0.145 0.000 0.746 393 E HN 0.151 nan 8.360 nan 0.000 0.452 394 A N 0.794 123.766 122.820 0.252 0.000 1.877 394 A HA -0.207 4.114 4.320 0.001 0.000 0.216 394 A C 1.878 179.714 177.584 0.420 0.000 1.186 394 A CA 1.356 53.549 52.037 0.261 0.000 0.620 394 A CB -1.061 18.022 19.000 0.138 0.000 0.822 394 A HN 0.521 nan 8.150 nan 0.000 0.443 395 W N 0.893 122.330 121.300 0.230 0.000 2.333 395 W HA -0.184 4.476 4.660 -0.001 0.000 0.316 395 W C 2.155 178.860 176.519 0.310 0.000 1.215 395 W CA 1.819 59.324 57.345 0.266 0.000 1.278 395 W CB 0.083 29.640 29.460 0.163 0.000 1.154 395 W HN 0.328 nan 8.180 nan 0.000 0.486 396 E N -0.526 120.120 120.200 0.744 0.000 2.070 396 E HA -0.304 4.046 4.350 0.001 0.000 0.197 396 E C 1.674 178.568 176.600 0.490 0.000 1.004 396 E CA 1.938 58.700 56.400 0.604 0.000 0.805 396 E CB -1.439 28.532 29.700 0.453 0.000 0.744 396 E HN 0.607 nan 8.360 nan 0.000 0.451 397 W N 0.550 122.013 121.300 0.271 0.000 2.358 397 W HA -0.272 4.388 4.660 0.001 0.000 0.303 397 W C 2.319 178.948 176.519 0.182 0.000 1.208 397 W CA 1.649 59.112 57.345 0.196 0.000 1.274 397 W CB -0.463 29.088 29.460 0.152 0.000 1.138 397 W HN 0.122 nan 8.180 nan 0.000 0.515 398 Y N -0.481 120.015 120.300 0.326 0.000 2.145 398 Y HA -0.259 4.292 4.550 0.000 0.000 0.286 398 Y C 2.165 177.978 175.900 -0.145 0.000 1.145 398 Y CA 2.193 60.348 58.100 0.092 0.000 1.148 398 Y CB -1.541 36.963 38.460 0.073 0.000 0.981 398 Y HN 0.155 nan 8.280 nan 0.000 0.507 399 W N 1.674 122.722 121.300 -0.419 0.000 2.358 399 W HA -0.195 4.465 4.660 -0.001 0.000 0.303 399 W C 2.512 178.813 176.519 -0.364 0.000 1.208 399 W CA 2.838 59.845 57.345 -0.564 0.000 1.274 399 W CB -0.313 28.764 29.460 -0.639 0.000 1.138 399 W HN 0.084 nan 8.180 nan 0.000 0.515 400 K N -0.004 120.297 120.400 -0.166 0.000 2.044 400 K HA -0.115 4.205 4.320 0.001 0.000 0.204 400 K C 2.145 178.471 176.600 -0.457 0.000 1.045 400 K CA 1.111 57.211 56.287 -0.312 0.000 0.951 400 K CB -0.219 32.261 32.500 -0.033 0.000 0.738 400 K HN -0.120 nan 8.250 nan 0.000 0.443 401 K N 0.621 120.660 120.400 -0.602 0.000 2.067 401 K HA 0.006 4.327 4.320 0.001 0.000 0.203 401 K C 2.186 178.458 176.600 -0.547 0.000 1.048 401 K CA 0.746 56.597 56.287 -0.726 0.000 0.954 401 K CB -0.042 31.574 32.500 -1.473 0.000 0.737 401 K HN 0.211 nan 8.250 nan 0.000 0.444 402 I N 0.191 120.450 120.570 -0.518 0.000 2.296 402 I HA -0.044 4.126 4.170 0.001 0.000 0.242 402 I C 2.191 178.085 176.117 -0.371 0.000 1.087 402 I CA 1.340 62.436 61.300 -0.340 0.000 1.393 402 I CB -1.587 36.298 38.000 -0.192 0.000 1.093 402 I HN 0.107 nan 8.210 nan 0.000 0.421 403 G N 0.082 108.580 108.800 -0.503 0.000 2.985 403 G HA2 -0.077 3.883 3.960 0.001 0.000 0.209 403 G HA3 -0.077 3.883 3.960 0.001 0.000 0.209 403 G C 0.915 175.509 174.900 -0.511 0.000 1.165 403 G CA -0.085 44.715 45.100 -0.500 0.000 0.776 403 G HN 0.413 nan 8.290 nan 0.000 0.541 404 K N -0.220 119.886 120.400 -0.491 0.000 3.020 404 K HA -0.250 4.070 4.320 0.001 0.000 0.266 404 K C 0.646 176.907 176.600 -0.565 0.000 1.067 404 K CA 0.889 56.916 56.287 -0.434 0.000 0.780 404 K CB -1.266 31.055 32.500 -0.297 0.000 1.220 404 K HN 0.610 nan 8.250 nan 0.000 0.483 405 E N -2.654 116.964 120.200 -0.970 0.000 3.801 405 E HA -0.301 4.049 4.350 0.001 0.000 0.319 405 E C 0.302 176.348 176.600 -0.924 0.000 0.784 405 E CA 1.604 57.073 56.400 -1.550 0.000 1.183 405 E CB -0.809 28.306 29.700 -0.976 0.000 1.601 405 E HN 0.531 nan 8.360 nan 0.000 0.441 406 K N -0.387 119.648 120.400 -0.607 0.000 2.355 406 K HA 0.209 4.529 4.320 0.001 0.000 0.198 406 K C -0.093 176.389 176.600 -0.198 0.000 1.039 406 K CA 0.293 56.408 56.287 -0.286 0.000 1.075 406 K CB 0.953 33.328 32.500 -0.209 0.000 0.870 406 K HN 0.051 nan 8.250 nan 0.000 0.540 407 C N 2.613 121.730 119.300 -0.305 0.000 2.298 407 C HA 0.395 4.855 4.460 0.001 0.000 0.323 407 C C -2.442 172.539 174.990 -0.016 0.000 1.284 407 C CA -2.154 56.766 59.018 -0.164 0.000 1.577 407 C CB 0.766 28.363 27.740 -0.239 0.000 2.249 407 C HN 0.154 nan 8.230 nan 0.000 0.497 408 P HA 0.068 nan 4.420 nan 0.000 0.264 408 P C -0.546 176.782 177.300 0.047 0.000 1.183 408 P CA 0.317 63.493 63.100 0.127 0.000 0.763 408 P CB 0.380 32.139 31.700 0.099 0.000 0.807 409 V N 4.993 124.935 119.914 0.047 0.000 2.370 409 V HA 0.178 4.299 4.120 0.001 0.000 0.279 409 V C 0.357 176.522 176.094 0.118 0.000 1.029 409 V CA -0.574 61.708 62.300 -0.030 0.000 0.870 409 V CB 1.528 33.105 31.823 -0.410 0.000 0.984 409 V HN 0.366 nan 8.190 nan 0.000 0.451 410 V N 1.580 121.542 119.914 0.079 0.000 2.334 410 V HA 0.500 4.620 4.120 0.001 0.000 0.267 410 V C -0.146 175.969 176.094 0.034 0.000 1.040 410 V CA -0.474 61.821 62.300 -0.007 0.000 0.866 410 V CB 1.264 32.963 31.823 -0.207 0.000 1.019 410 V HN 0.789 nan 8.190 nan 0.000 0.468 411 D N 5.178 125.623 120.400 0.074 0.000 2.411 411 D HA 0.285 4.925 4.640 0.001 0.000 0.225 411 D C 0.522 176.825 176.300 0.005 0.000 1.156 411 D CA 0.008 54.074 54.000 0.110 0.000 0.874 411 D CB 1.128 42.036 40.800 0.180 0.000 1.034 411 D HN 0.906 nan 8.370 nan 0.000 0.502 412 T N 1.662 116.201 114.554 -0.025 0.000 2.738 412 T HA 0.301 4.651 4.350 0.001 0.000 0.298 412 T C -0.283 174.561 174.700 0.240 0.000 0.962 412 T CA -0.997 61.016 62.100 -0.145 0.000 0.972 412 T CB 0.176 68.600 68.868 -0.739 0.000 0.928 412 T HN 0.365 nan 8.240 nan 0.000 0.474 413 W N 8.143 129.515 121.300 0.121 0.000 2.338 413 W HA 0.635 5.295 4.660 -0.001 0.000 0.307 413 W C -1.005 175.763 176.519 0.414 0.000 1.167 413 W CA -0.252 57.215 57.345 0.202 0.000 1.208 413 W CB 0.633 30.141 29.460 0.081 0.000 1.228 413 W HN 0.865 nan 8.180 nan 0.000 0.499 414 W N 4.325 125.039 121.300 -0.977 0.000 2.760 414 W HA 0.542 5.204 4.660 0.003 0.000 0.430 414 W C -1.873 174.203 176.519 -0.737 0.000 1.072 414 W CA -1.046 55.736 57.345 -0.938 0.000 1.181 414 W CB 0.211 29.560 29.460 -0.184 0.000 1.466 414 W HN 0.402 nan 8.180 nan 0.000 0.597 415 Q N -0.377 119.242 119.800 -0.302 0.000 2.565 415 Q HA 0.325 4.665 4.340 0.001 0.000 0.294 415 Q C 0.608 176.586 176.000 -0.036 0.000 1.005 415 Q CA -0.637 55.001 55.803 -0.275 0.000 0.771 415 Q CB 2.880 31.565 28.738 -0.089 0.000 1.486 415 Q HN 0.373 nan 8.270 nan 0.000 0.422 416 T N 0.413 114.955 114.554 -0.020 0.000 2.665 416 T HA -0.195 4.156 4.350 0.001 0.000 0.268 416 T C 1.017 175.946 174.700 0.382 0.000 1.035 416 T CA 2.070 64.291 62.100 0.201 0.000 1.151 416 T CB -0.089 68.883 68.868 0.173 0.000 0.862 416 T HN 0.510 nan 8.240 nan 0.000 0.438 417 E N 0.840 121.178 120.200 0.230 0.000 2.409 417 E HA -0.045 4.305 4.350 0.001 0.000 0.198 417 E C 2.281 179.039 176.600 0.263 0.000 1.024 417 E CA 1.175 57.661 56.400 0.143 0.000 0.861 417 E CB -0.287 29.376 29.700 -0.062 0.000 0.788 417 E HN 0.707 nan 8.360 nan 0.000 0.521 418 T N -4.242 110.569 114.554 0.429 0.000 3.040 418 T HA 0.335 4.685 4.350 0.001 0.000 0.250 418 T C 1.722 176.847 174.700 0.709 0.000 1.058 418 T CA 0.456 62.923 62.100 0.611 0.000 0.988 418 T CB 0.412 69.478 68.868 0.331 0.000 0.993 418 T HN 0.217 nan 8.240 nan 0.000 0.519 419 G N 0.722 109.958 108.800 0.728 0.000 2.609 419 G HA2 -0.049 3.911 3.960 0.001 0.000 0.235 419 G HA3 -0.049 3.911 3.960 0.001 0.000 0.235 419 G C 0.564 175.648 174.900 0.307 0.000 1.177 419 G CA 0.006 45.415 45.100 0.515 0.000 0.707 419 G HN 1.418 nan 8.290 nan 0.000 0.513 420 G N -1.550 107.392 108.800 0.237 0.000 2.749 420 G HA2 0.618 4.579 3.960 0.001 0.000 0.300 420 G HA3 0.618 4.579 3.960 0.001 0.000 0.300 420 G C -0.356 174.354 174.900 -0.317 0.000 1.352 420 G CA -0.669 44.238 45.100 -0.322 0.000 0.789 420 G HN 0.589 nan 8.290 nan 0.000 0.509 421 F N 0.972 120.538 119.950 -0.641 0.000 2.607 421 F HA 0.110 4.637 4.527 -0.001 0.000 0.374 421 F C 1.673 177.367 175.800 -0.178 0.000 1.104 421 F CA -0.244 57.398 58.000 -0.597 0.000 1.296 421 F CB 0.676 39.215 39.000 -0.768 0.000 1.085 421 F HN 0.051 nan 8.300 nan 0.000 0.584 422 M N 3.041 122.750 119.600 0.180 0.000 2.879 422 M HA 0.322 4.802 4.480 0.001 0.000 0.241 422 M C 0.067 176.532 176.300 0.276 0.000 1.523 422 M CA 0.759 56.162 55.300 0.171 0.000 1.195 422 M CB 0.464 33.094 32.600 0.050 0.000 1.277 422 M HN 0.358 nan 8.290 nan 0.000 0.557 423 I N 0.362 121.133 120.570 0.334 0.000 2.468 423 I HA 0.384 4.554 4.170 0.001 0.000 0.285 423 I C -0.544 175.626 176.117 0.088 0.000 1.039 423 I CA -0.266 61.148 61.300 0.190 0.000 1.074 423 I CB 2.185 40.264 38.000 0.132 0.000 1.228 423 I HN 0.016 nan 8.210 nan 0.000 0.436 424 T N 6.904 121.440 114.554 -0.030 0.000 3.047 424 T HA 0.433 4.784 4.350 0.001 0.000 0.340 424 T C -2.951 171.625 174.700 -0.206 0.000 1.421 424 T CA -1.280 60.732 62.100 -0.147 0.000 1.090 424 T CB 2.093 70.790 68.868 -0.284 0.000 1.292 424 T HN 0.173 nan 8.240 nan 0.000 0.480 425 P HA 0.385 nan 4.420 nan 0.000 0.272 425 P C -1.038 176.140 177.300 -0.205 0.000 1.223 425 P CA -0.474 62.484 63.100 -0.237 0.000 0.784 425 P CB 0.461 32.074 31.700 -0.146 0.000 0.923 426 L N 5.044 126.147 121.223 -0.199 0.000 2.287 426 L HA 0.346 4.686 4.340 0.001 0.000 0.287 426 L C -1.211 175.622 176.870 -0.062 0.000 1.022 426 L CA -1.872 52.904 54.840 -0.105 0.000 0.814 426 L CB 1.295 43.311 42.059 -0.072 0.000 1.217 426 L HN 0.275 nan 8.230 nan 0.000 0.420 427 P HA -0.086 nan 4.420 nan 0.000 0.219 427 P C 0.990 178.316 177.300 0.044 0.000 1.146 427 P CA 1.022 64.135 63.100 0.023 0.000 0.808 427 P CB 0.424 32.150 31.700 0.044 0.000 0.779 428 G N -1.415 107.414 108.800 0.048 0.000 3.126 428 G HA2 0.314 4.274 3.960 0.001 0.000 0.224 428 G HA3 0.314 4.274 3.960 0.001 0.000 0.224 428 G C 1.262 176.190 174.900 0.047 0.000 1.142 428 G CA 0.640 45.775 45.100 0.058 0.000 0.759 428 G HN 0.360 nan 8.290 nan 0.000 0.550 429 A N -0.107 122.723 122.820 0.017 0.000 2.026 429 A HA 0.601 4.921 4.320 0.001 0.000 0.201 429 A C 0.579 178.135 177.584 -0.047 0.000 1.318 429 A CA 0.243 52.283 52.037 0.004 0.000 0.857 429 A CB 0.422 19.428 19.000 0.009 0.000 0.939 429 A HN 0.204 nan 8.150 nan 0.000 0.476 430 I N 1.044 121.558 120.570 -0.093 0.000 2.433 430 I HA 0.257 4.428 4.170 0.001 0.000 0.292 430 I C -0.730 175.390 176.117 0.006 0.000 1.001 430 I CA -0.477 60.756 61.300 -0.112 0.000 1.119 430 I CB 2.041 39.856 38.000 -0.307 0.000 1.289 430 I HN 0.200 nan 8.210 nan 0.000 0.438 431 E N 6.030 126.284 120.200 0.089 0.000 2.313 431 E HA 0.383 4.734 4.350 0.001 0.000 0.276 431 E C -0.972 175.728 176.600 0.167 0.000 1.031 431 E CA -0.497 55.973 56.400 0.117 0.000 0.857 431 E CB 1.297 31.049 29.700 0.087 0.000 1.040 431 E HN 0.381 nan 8.360 nan 0.000 0.408 432 L N 2.947 124.255 121.223 0.142 0.000 2.375 432 L HA 0.388 4.728 4.340 0.001 0.000 0.271 432 L C 0.186 177.044 176.870 -0.020 0.000 1.107 432 L CA -0.379 54.523 54.840 0.105 0.000 0.806 432 L CB 0.512 42.683 42.059 0.188 0.000 1.146 432 L HN 0.288 nan 8.230 nan 0.000 0.447 433 K N 1.894 122.199 120.400 -0.157 0.000 2.463 433 K HA 0.523 4.843 4.320 0.001 0.000 0.255 433 K C -0.629 175.553 176.600 -0.696 0.000 0.942 433 K CA -0.715 55.388 56.287 -0.307 0.000 0.814 433 K CB 2.133 34.549 32.500 -0.140 0.000 1.122 433 K HN 0.694 nan 8.250 nan 0.000 0.425 434 A N 1.919 124.148 122.820 -0.985 0.000 2.540 434 A HA 0.326 4.646 4.320 0.001 0.000 0.264 434 A C 1.246 178.530 177.584 -0.500 0.000 1.080 434 A CA 1.323 52.534 52.037 -1.376 0.000 0.776 434 A CB -1.002 17.520 19.000 -0.797 0.000 1.011 434 A HN 1.041 nan 8.150 nan 0.000 0.514 435 G N 1.252 109.774 108.800 -0.464 0.000 2.194 435 G HA2 -0.150 3.811 3.960 0.001 0.000 0.236 435 G HA3 -0.150 3.811 3.960 0.001 0.000 0.236 435 G C 0.486 175.245 174.900 -0.235 0.000 0.987 435 G CA 0.438 45.530 45.100 -0.014 0.000 0.635 435 G HN 1.748 nan 8.290 nan 0.000 0.520 436 S N 0.143 115.411 115.700 -0.721 0.000 2.462 436 S HA 0.722 5.192 4.470 0.001 0.000 0.294 436 S C 1.351 175.685 174.600 -0.445 0.000 1.144 436 S CA 0.687 58.278 58.200 -1.014 0.000 1.088 436 S CB 1.381 63.546 63.200 -1.726 0.000 1.009 436 S HN 1.507 nan 8.310 nan 0.000 0.484 437 A N 3.882 126.519 122.820 -0.305 0.000 2.168 437 A HA 0.248 4.568 4.320 0.001 0.000 0.215 437 A C 1.457 178.897 177.584 -0.240 0.000 1.152 437 A CA 1.478 53.426 52.037 -0.149 0.000 0.716 437 A CB -1.403 17.595 19.000 -0.003 0.000 0.794 437 A HN 1.943 nan 8.150 nan 0.000 0.465 438 T N -2.646 111.676 114.554 -0.388 0.000 14.161 438 T HA -0.275 4.076 4.350 0.001 0.000 0.419 438 T C 0.258 174.686 174.700 -0.454 0.000 1.441 438 T CA 1.191 62.884 62.100 -0.678 0.000 2.332 438 T CB -1.109 67.251 68.868 -0.847 0.000 2.758 438 T HN 0.731 nan 8.240 nan 0.000 0.253 439 R N 2.756 122.966 120.500 -0.484 0.000 2.643 439 R HA 0.648 4.988 4.340 0.001 0.000 0.272 439 R C -2.399 173.826 176.300 -0.125 0.000 0.995 439 R CA -2.103 53.832 56.100 -0.275 0.000 1.032 439 R CB 1.087 31.134 30.300 -0.422 0.000 1.126 439 R HN 0.571 nan 8.270 nan 0.000 0.505 440 P HA -0.049 nan 4.420 nan 0.000 0.269 440 P C -0.685 176.726 177.300 0.184 0.000 1.215 440 P CA -0.003 63.135 63.100 0.063 0.000 0.780 440 P CB 0.459 32.222 31.700 0.104 0.000 0.898 441 F N 1.822 121.850 119.950 0.131 0.000 2.403 441 F HA 0.298 4.829 4.527 0.007 0.000 0.320 441 F C 0.505 176.520 175.800 0.358 0.000 1.176 441 F CA -0.494 57.569 58.000 0.104 0.000 1.206 441 F CB 0.057 39.122 39.000 0.109 0.000 1.235 441 F HN 0.170 nan 8.300 nan 0.000 0.565 442 F N 2.545 122.245 119.950 -0.417 0.000 2.612 442 F HA 0.253 4.785 4.527 0.007 0.000 0.389 442 F C 1.427 177.413 175.800 0.310 0.000 1.055 442 F CA 0.665 58.494 58.000 -0.286 0.000 1.232 442 F CB -0.322 38.284 39.000 -0.658 0.000 1.044 442 F HN 0.726 nan 8.300 nan 0.000 0.560 443 G N 1.790 110.792 108.800 0.336 0.000 2.217 443 G HA2 -0.248 3.712 3.960 0.001 0.000 0.246 443 G HA3 -0.248 3.712 3.960 0.001 0.000 0.246 443 G C -0.356 174.830 174.900 0.475 0.000 0.990 443 G CA -0.165 45.298 45.100 0.606 0.000 0.627 443 G HN 0.571 nan 8.290 nan 0.000 0.522 444 V N 1.193 121.366 119.914 0.431 0.000 2.370 444 V HA 0.559 4.679 4.120 0.001 0.000 0.279 444 V C 0.270 176.572 176.094 0.347 0.000 1.029 444 V CA -0.190 62.305 62.300 0.326 0.000 0.870 444 V CB 1.586 33.550 31.823 0.236 0.000 0.984 444 V HN 0.353 nan 8.190 nan 0.000 0.451 445 Q N 6.733 126.710 119.800 0.295 0.000 2.560 445 Q HA 0.333 4.673 4.340 0.001 0.000 0.238 445 Q C -2.483 173.659 176.000 0.237 0.000 1.079 445 Q CA -1.653 54.320 55.803 0.285 0.000 0.866 445 Q CB 1.919 30.817 28.738 0.265 0.000 1.153 445 Q HN 0.539 nan 8.270 nan 0.000 0.530 446 P HA 0.417 nan 4.420 nan 0.000 0.276 446 P C -1.138 176.255 177.300 0.155 0.000 1.252 446 P CA -0.236 62.906 63.100 0.070 0.000 0.802 446 P CB 1.564 33.104 31.700 -0.267 0.000 1.035 447 A N 1.396 124.303 122.820 0.146 0.000 2.609 447 A HA 0.703 5.024 4.320 0.001 0.000 0.291 447 A C -1.554 176.098 177.584 0.114 0.000 1.096 447 A CA -0.717 51.416 52.037 0.160 0.000 0.684 447 A CB 0.988 20.066 19.000 0.130 0.000 1.282 447 A HN 0.421 nan 8.150 nan 0.000 0.412 448 L N 1.433 122.713 121.223 0.094 0.000 2.333 448 L HA 0.702 5.042 4.340 0.001 0.000 0.280 448 L C -0.402 176.433 176.870 -0.058 0.000 1.004 448 L CA -1.045 53.812 54.840 0.029 0.000 0.820 448 L CB 1.746 43.849 42.059 0.072 0.000 1.247 448 L HN 0.726 nan 8.230 nan 0.000 0.416 449 V N -1.063 118.735 119.914 -0.192 0.000 2.769 449 V HA 0.617 4.738 4.120 0.001 0.000 0.312 449 V C -0.569 175.365 176.094 -0.265 0.000 1.061 449 V CA -0.878 61.251 62.300 -0.285 0.000 0.931 449 V CB 1.923 33.400 31.823 -0.576 0.000 1.010 449 V HN 0.763 nan 8.190 nan 0.000 0.433 450 D N 2.500 122.804 120.400 -0.159 0.000 2.393 450 D HA 0.116 4.757 4.640 0.001 0.000 0.246 450 D C 0.715 176.950 176.300 -0.108 0.000 1.275 450 D CA -0.296 53.645 54.000 -0.098 0.000 0.979 450 D CB 0.183 40.969 40.800 -0.023 0.000 1.101 450 D HN 0.438 nan 8.370 nan 0.000 0.505 451 N N -0.504 118.183 118.700 -0.022 0.000 2.443 451 N HA -0.119 4.621 4.740 0.001 0.000 0.184 451 N C 0.732 176.277 175.510 0.058 0.000 1.037 451 N CA 0.724 53.806 53.050 0.053 0.000 0.896 451 N CB -0.090 38.409 38.487 0.020 0.000 0.959 451 N HN 0.467 nan 8.380 nan 0.000 0.442 452 E N -1.338 118.813 120.200 -0.082 0.000 2.452 452 E HA 0.256 4.607 4.350 0.001 0.000 0.197 452 E C 1.198 177.635 176.600 -0.271 0.000 1.022 452 E CA 0.420 56.688 56.400 -0.220 0.000 0.890 452 E CB 0.166 29.630 29.700 -0.393 0.000 0.918 452 E HN 0.279 nan 8.360 nan 0.000 0.496 453 G N 0.490 109.184 108.800 -0.177 0.000 2.179 453 G HA2 -0.249 3.712 3.960 0.001 0.000 0.220 453 G HA3 -0.249 3.712 3.960 0.001 0.000 0.220 453 G C -0.345 174.485 174.900 -0.116 0.000 0.990 453 G CA -0.256 44.794 45.100 -0.083 0.000 0.646 453 G HN 0.453 nan 8.290 nan 0.000 0.517 454 H N 1.770 120.825 119.070 -0.026 0.000 2.819 454 H HA 0.388 4.944 4.556 0.000 0.000 0.303 454 H C -2.241 173.057 175.328 -0.051 0.000 1.058 454 H CA -1.764 54.271 56.048 -0.022 0.000 1.471 454 H CB 0.848 30.606 29.762 -0.007 0.000 1.480 454 H HN 0.122 nan 8.280 nan 0.000 0.517 455 P HA -0.074 nan 4.420 nan 0.000 0.264 455 P C -0.549 176.777 177.300 0.043 0.000 1.193 455 P CA 0.126 63.250 63.100 0.039 0.000 0.763 455 P CB 0.601 32.333 31.700 0.055 0.000 0.810 456 Q N 3.026 122.840 119.800 0.024 0.000 2.303 456 Q HA 0.264 4.604 4.340 0.001 0.000 0.257 456 Q C 0.309 176.323 176.000 0.024 0.000 0.941 456 Q CA -0.235 55.581 55.803 0.021 0.000 0.931 456 Q CB 1.357 30.100 28.738 0.008 0.000 1.215 456 Q HN 0.456 nan 8.270 nan 0.000 0.437 457 E N 0.542 120.753 120.200 0.018 0.000 2.232 457 E HA 0.673 5.023 4.350 0.001 0.000 0.265 457 E C 0.561 177.163 176.600 0.002 0.000 1.001 457 E CA -0.525 55.886 56.400 0.018 0.000 0.870 457 E CB 1.208 30.920 29.700 0.020 0.000 1.175 457 E HN 0.700 nan 8.360 nan 0.000 0.407 458 G N 0.714 109.513 108.800 -0.001 0.000 2.598 458 G HA2 -0.142 3.818 3.960 0.001 0.000 0.244 458 G HA3 -0.142 3.818 3.960 0.001 0.000 0.244 458 G C -0.222 174.657 174.900 -0.035 0.000 1.302 458 G CA -0.296 44.795 45.100 -0.015 0.000 0.903 458 G HN 0.801 nan 8.290 nan 0.000 0.575 459 A N -0.409 122.386 122.820 -0.041 0.000 2.454 459 A HA 0.739 5.059 4.320 0.001 0.000 0.260 459 A C 0.711 178.264 177.584 -0.051 0.000 1.106 459 A CA 1.809 53.813 52.037 -0.056 0.000 0.780 459 A CB 0.517 19.481 19.000 -0.060 0.000 1.044 459 A HN 2.276 nan 8.150 nan 0.000 0.498 460 T N 0.688 115.209 114.554 -0.054 0.000 2.686 460 T HA 0.478 4.828 4.350 0.001 0.000 0.308 460 T C -1.698 172.984 174.700 -0.031 0.000 1.667 460 T CA -0.111 61.966 62.100 -0.038 0.000 0.987 460 T CB 0.955 69.810 68.868 -0.023 0.000 1.652 460 T HN 0.971 nan 8.240 nan 0.000 0.496 461 E N 0.341 120.531 120.200 -0.017 0.000 2.392 461 E HA 0.788 5.138 4.350 0.001 0.000 0.269 461 E C -0.166 176.437 176.600 0.004 0.000 0.924 461 E CA -0.913 55.487 56.400 0.001 0.000 0.784 461 E CB 2.038 31.736 29.700 -0.003 0.000 1.292 461 E HN 1.072 nan 8.360 nan 0.000 0.447 462 G N 0.680 109.489 108.800 0.015 0.000 2.335 462 G HA2 0.098 4.059 3.960 0.001 0.000 0.291 462 G HA3 0.098 4.059 3.960 0.001 0.000 0.291 462 G C -1.412 173.497 174.900 0.016 0.000 1.261 462 G CA -0.974 44.124 45.100 -0.003 0.000 0.871 462 G HN 0.454 nan 8.290 nan 0.000 0.491 463 N N 0.679 119.360 118.700 -0.032 0.000 2.470 463 N HA 0.281 5.021 4.740 0.001 0.000 0.268 463 N C -0.508 175.031 175.510 0.048 0.000 1.136 463 N CA -0.220 52.855 53.050 0.042 0.000 0.961 463 N CB 1.995 40.384 38.487 -0.163 0.000 1.067 463 N HN 0.431 nan 8.380 nan 0.000 0.468 464 L N 4.388 125.720 121.223 0.181 0.000 2.315 464 L HA 0.236 4.577 4.340 0.001 0.000 0.283 464 L C -0.186 176.825 176.870 0.234 0.000 1.089 464 L CA -0.347 54.556 54.840 0.105 0.000 0.833 464 L CB 0.352 42.368 42.059 -0.070 0.000 1.170 464 L HN 0.324 nan 8.230 nan 0.000 0.442 465 V N 3.598 123.617 119.914 0.175 0.000 3.046 465 V HA 0.692 4.812 4.120 0.001 0.000 0.316 465 V C -0.465 175.816 176.094 0.310 0.000 1.104 465 V CA -0.893 61.570 62.300 0.271 0.000 1.006 465 V CB 2.242 34.169 31.823 0.173 0.000 1.058 465 V HN 0.517 nan 8.190 nan 0.000 0.440 466 I N 2.256 123.109 120.570 0.472 0.000 2.466 466 I HA 0.404 4.574 4.170 0.001 0.000 0.289 466 I C 1.084 177.590 176.117 0.648 0.000 1.026 466 I CA 0.055 61.659 61.300 0.506 0.000 1.078 466 I CB 1.682 39.996 38.000 0.524 0.000 1.249 466 I HN 1.000 nan 8.210 nan 0.000 0.429 467 T N -0.252 114.605 114.554 0.506 0.000 3.081 467 T HA 0.165 4.516 4.350 0.001 0.000 0.250 467 T C 0.369 175.320 174.700 0.419 0.000 1.100 467 T CA 0.258 62.636 62.100 0.463 0.000 1.038 467 T CB 0.389 69.433 68.868 0.294 0.000 0.962 467 T HN 0.532 nan 8.240 nan 0.000 0.516 468 D N -0.180 120.479 120.400 0.432 0.000 2.615 468 D HA 0.463 5.103 4.640 0.001 0.000 0.267 468 D C -1.153 175.327 176.300 0.300 0.000 1.236 468 D CA -0.517 53.531 54.000 0.080 0.000 0.839 468 D CB 2.246 43.108 40.800 0.103 0.000 1.380 468 D HN 0.036 nan 8.370 nan 0.000 0.433 469 S N -0.261 115.442 115.700 0.005 0.000 2.645 469 S HA 0.736 5.206 4.470 0.001 0.000 0.266 469 S C -0.991 173.945 174.600 0.560 0.000 1.258 469 S CA -0.452 57.923 58.200 0.291 0.000 0.990 469 S CB 0.312 63.575 63.200 0.106 0.000 0.967 469 S HN 0.362 nan 8.310 nan 0.000 0.556 470 W N 0.611 121.987 121.300 0.127 0.000 3.062 470 W HA 0.547 5.206 4.660 -0.001 0.000 0.336 470 W C -2.951 172.906 176.519 -1.103 0.000 1.224 470 W CA -1.843 55.267 57.345 -0.393 0.000 1.159 470 W CB 0.004 29.264 29.460 -0.335 0.000 1.454 470 W HN 0.335 nan 8.180 nan 0.000 0.569 471 P HA -0.021 nan 4.420 nan 0.000 0.218 471 P C 1.582 178.286 177.300 -0.993 0.000 1.149 471 P CA 2.522 64.377 63.100 -2.075 0.000 0.817 471 P CB 0.111 30.828 31.700 -1.639 0.000 0.785 472 G N -1.087 107.226 108.800 -0.813 0.000 2.985 472 G HA2 -0.092 3.868 3.960 0.001 0.000 0.209 472 G HA3 -0.092 3.868 3.960 0.001 0.000 0.209 472 G C 0.543 175.394 174.900 -0.081 0.000 1.165 472 G CA -0.134 44.824 45.100 -0.237 0.000 0.776 472 G HN 0.278 nan 8.290 nan 0.000 0.541 473 Q N 0.827 120.198 119.800 -0.716 0.000 2.315 473 Q HA 0.396 4.736 4.340 0.001 0.000 0.289 473 Q C 0.547 176.416 176.000 -0.219 0.000 1.044 473 Q CA -0.417 54.998 55.803 -0.646 0.000 0.920 473 Q CB 0.564 28.441 28.738 -1.436 0.000 1.214 473 Q HN 0.228 nan 8.270 nan 0.000 0.392 474 A N 4.214 126.915 122.820 -0.199 0.000 2.540 474 A HA 0.012 4.332 4.320 0.001 0.000 0.239 474 A C 0.477 177.908 177.584 -0.255 0.000 1.061 474 A CA -0.165 51.563 52.037 -0.516 0.000 0.758 474 A CB 0.388 19.106 19.000 -0.471 0.000 0.991 474 A HN 0.882 nan 8.150 nan 0.000 0.502 475 R N 0.373 120.634 120.500 -0.398 0.000 2.189 475 R HA 0.160 4.500 4.340 0.001 0.000 0.203 475 R C 0.607 176.476 176.300 -0.717 0.000 1.012 475 R CA 1.172 57.081 56.100 -0.319 0.000 1.015 475 R CB -0.343 29.830 30.300 -0.212 0.000 0.938 475 R HN 0.824 nan 8.270 nan 0.000 0.472 476 T N -0.968 112.956 114.554 -1.050 0.000 2.654 476 T HA 0.435 4.786 4.350 0.001 0.000 0.303 476 T C -1.827 172.457 174.700 -0.693 0.000 1.656 476 T CA -0.652 60.656 62.100 -1.321 0.000 0.971 476 T CB 0.589 69.241 68.868 -0.360 0.000 1.811 476 T HN -0.072 nan 8.240 nan 0.000 0.483 477 L N 2.353 123.419 121.223 -0.260 0.000 2.295 477 L HA 0.572 4.912 4.340 0.001 0.000 0.285 477 L C -0.137 176.746 176.870 0.022 0.000 1.035 477 L CA -0.967 53.883 54.840 0.016 0.000 0.806 477 L CB 1.104 43.275 42.059 0.186 0.000 1.214 477 L HN 0.678 nan 8.230 nan 0.000 0.426 478 F N 3.286 123.175 119.950 -0.100 0.000 2.593 478 F HA 0.180 4.707 4.527 0.000 0.000 0.393 478 F C 1.344 177.140 175.800 -0.007 0.000 1.037 478 F CA 0.816 58.773 58.000 -0.072 0.000 1.195 478 F CB 0.220 39.167 39.000 -0.088 0.000 1.034 478 F HN 0.752 nan 8.300 nan 0.000 0.552 479 G N 4.212 112.584 108.800 -0.714 0.000 2.258 479 G HA2 -0.302 3.658 3.960 0.001 0.000 0.274 479 G HA3 -0.302 3.658 3.960 0.001 0.000 0.274 479 G C -0.157 174.629 174.900 -0.190 0.000 1.021 479 G CA 0.485 45.271 45.100 -0.524 0.000 0.798 479 G HN 0.918 nan 8.290 nan 0.000 0.507 480 D N -1.964 118.389 120.400 -0.078 0.000 3.361 480 D HA 0.156 4.797 4.640 0.001 0.000 0.246 480 D C 0.759 177.120 176.300 0.102 0.000 1.395 480 D CA -0.480 53.533 54.000 0.023 0.000 0.839 480 D CB -0.282 40.541 40.800 0.039 0.000 1.469 480 D HN 0.228 nan 8.370 nan 0.000 0.636 481 H N 1.085 120.167 119.070 0.020 0.000 2.421 481 H HA 0.026 4.582 4.556 0.000 0.000 0.298 481 H C 1.443 176.881 175.328 0.182 0.000 1.087 481 H CA 1.957 58.063 56.048 0.096 0.000 1.330 481 H CB 0.691 30.470 29.762 0.028 0.000 1.388 481 H HN 0.325 nan 8.280 nan 0.000 0.526 482 E N 0.006 120.285 120.200 0.132 0.000 2.106 482 E HA -0.184 4.166 4.350 0.001 0.000 0.192 482 E C 2.215 178.853 176.600 0.063 0.000 0.984 482 E CA 0.723 57.173 56.400 0.083 0.000 0.806 482 E CB -0.044 29.698 29.700 0.071 0.000 0.750 482 E HN 0.431 nan 8.360 nan 0.000 0.458 483 R N 0.245 120.792 120.500 0.078 0.000 2.148 483 R HA -0.114 4.227 4.340 0.001 0.000 0.223 483 R C 2.134 178.495 176.300 0.102 0.000 1.088 483 R CA 0.512 56.650 56.100 0.063 0.000 0.985 483 R CB -0.166 30.171 30.300 0.060 0.000 0.880 483 R HN 0.105 nan 8.270 nan 0.000 0.451 484 F N 1.940 121.890 119.950 -0.001 0.000 2.102 484 F HA -0.188 4.339 4.527 -0.000 0.000 0.298 484 F C 2.210 178.134 175.800 0.207 0.000 1.105 484 F CA 2.073 60.138 58.000 0.110 0.000 1.239 484 F CB -0.323 38.667 39.000 -0.017 0.000 0.991 484 F HN 0.086 nan 8.300 nan 0.000 0.474 485 E N -0.219 120.031 120.200 0.084 0.000 2.031 485 E HA -0.296 4.054 4.350 0.001 0.000 0.193 485 E C 2.352 178.988 176.600 0.059 0.000 0.994 485 E CA 1.284 57.757 56.400 0.122 0.000 0.800 485 E CB -0.496 29.233 29.700 0.048 0.000 0.752 485 E HN 0.600 nan 8.360 nan 0.000 0.447 486 Q N 0.097 119.895 119.800 -0.003 0.000 2.045 486 Q HA -0.195 4.146 4.340 0.001 0.000 0.206 486 Q C 2.032 177.937 176.000 -0.158 0.000 0.991 486 Q CA 2.543 58.313 55.803 -0.056 0.000 0.851 486 Q CB -0.308 28.404 28.738 -0.045 0.000 0.911 486 Q HN 0.269 nan 8.270 nan 0.000 0.418 487 T N -0.200 114.193 114.554 -0.269 0.000 2.737 487 T HA -0.136 4.214 4.350 0.001 0.000 0.265 487 T C 1.254 175.517 174.700 -0.728 0.000 1.038 487 T CA 1.802 63.568 62.100 -0.556 0.000 1.144 487 T CB -0.307 68.066 68.868 -0.825 0.000 0.866 487 T HN 0.458 nan 8.240 nan 0.000 0.434 488 Y N -1.330 118.712 120.300 -0.431 0.000 2.507 488 Y HA 0.368 4.919 4.550 0.001 0.000 0.263 488 Y C 1.064 176.422 175.900 -0.903 0.000 1.093 488 Y CA -0.230 57.386 58.100 -0.807 0.000 1.285 488 Y CB 0.373 38.117 38.460 -1.192 0.000 1.115 488 Y HN 0.146 nan 8.280 nan 0.000 0.533 489 F N -1.301 118.578 119.950 -0.119 0.000 2.698 489 F HA 0.214 4.741 4.527 -0.000 0.000 0.304 489 F C 1.601 177.369 175.800 -0.052 0.000 1.108 489 F CA -0.074 57.876 58.000 -0.083 0.000 1.263 489 F CB 0.330 39.260 39.000 -0.117 0.000 1.013 489 F HN -0.039 nan 8.300 nan 0.000 0.532 490 S N -2.410 113.296 115.700 0.010 0.000 2.564 490 S HA -0.012 4.459 4.470 0.001 0.000 0.231 490 S C 1.721 176.237 174.600 -0.140 0.000 1.067 490 S CA 0.593 58.773 58.200 -0.032 0.000 0.908 490 S CB -0.428 62.742 63.200 -0.051 0.000 0.809 490 S HN 0.130 nan 8.310 nan 0.000 0.491 491 T N 1.753 116.145 114.554 -0.271 0.000 2.708 491 T HA 0.170 4.521 4.350 0.001 0.000 0.266 491 T C -0.213 173.978 174.700 -0.848 0.000 1.037 491 T CA 1.033 62.752 62.100 -0.634 0.000 1.146 491 T CB -0.403 67.940 68.868 -0.874 0.000 0.865 491 T HN 0.496 nan 8.240 nan 0.000 0.435 492 F N 1.339 121.231 119.950 -0.097 0.000 2.513 492 F HA 0.484 5.011 4.527 0.001 0.000 0.358 492 F C -0.103 175.726 175.800 0.047 0.000 1.118 492 F CA -1.532 56.431 58.000 -0.061 0.000 1.037 492 F CB 0.987 39.921 39.000 -0.111 0.000 1.276 492 F HN -0.419 nan 8.300 nan 0.000 0.446 493 K N 2.669 123.184 120.400 0.192 0.000 2.524 493 K HA -0.042 4.279 4.320 0.001 0.000 0.279 493 K C 0.929 177.681 176.600 0.253 0.000 0.993 493 K CA 0.623 57.021 56.287 0.185 0.000 1.030 493 K CB -0.111 32.469 32.500 0.133 0.000 0.891 493 K HN 0.602 nan 8.250 nan 0.000 0.488 494 N N 1.242 120.121 118.700 0.298 0.000 2.782 494 N HA -0.214 4.526 4.740 0.001 0.000 0.251 494 N C -1.077 174.763 175.510 0.550 0.000 1.101 494 N CA 1.119 54.400 53.050 0.384 0.000 0.764 494 N CB -0.496 38.151 38.487 0.266 0.000 1.122 494 N HN 0.535 nan 8.380 nan 0.000 0.561 495 M N -0.094 119.826 119.600 0.534 0.000 2.501 495 M HA 0.196 4.676 4.480 0.001 0.000 0.293 495 M C -0.627 175.895 176.300 0.370 0.000 1.192 495 M CA -0.722 54.907 55.300 0.547 0.000 0.886 495 M CB 2.211 35.049 32.600 0.396 0.000 1.710 495 M HN 0.070 nan 8.290 nan 0.000 0.457 496 Y N 2.453 122.857 120.300 0.174 0.000 2.452 496 Y HA 0.396 4.947 4.550 0.001 0.000 0.348 496 Y C -1.328 174.677 175.900 0.175 0.000 0.985 496 Y CA -0.571 57.443 58.100 -0.143 0.000 1.214 496 Y CB 0.387 38.807 38.460 -0.068 0.000 1.136 496 Y HN 0.491 nan 8.280 nan 0.000 0.523 497 F N 6.395 125.983 119.950 -0.604 0.000 2.390 497 F HA 0.228 4.755 4.527 -0.000 0.000 0.361 497 F C 1.224 176.696 175.800 -0.547 0.000 1.124 497 F CA -0.978 56.833 58.000 -0.316 0.000 1.149 497 F CB 0.763 39.749 39.000 -0.024 0.000 1.160 497 F HN 0.624 nan 8.300 nan 0.000 0.501 498 S N 3.469 118.918 115.700 -0.418 0.000 2.453 498 S HA 0.121 4.592 4.470 0.001 0.000 0.231 498 S C 1.773 176.097 174.600 -0.461 0.000 1.005 498 S CA 0.580 58.642 58.200 -0.231 0.000 0.949 498 S CB -0.660 62.759 63.200 0.366 0.000 0.774 498 S HN 1.659 nan 8.310 nan 0.000 0.510 499 G N 0.805 108.845 108.800 -1.266 0.000 2.179 499 G HA2 -0.202 3.759 3.960 0.001 0.000 0.260 499 G HA3 -0.202 3.759 3.960 0.001 0.000 0.260 499 G C -0.332 174.407 174.900 -0.268 0.000 0.977 499 G CA 0.275 44.820 45.100 -0.925 0.000 0.641 499 G HN 0.564 nan 8.290 nan 0.000 0.533 500 D N 0.689 121.044 120.400 -0.076 0.000 2.253 500 D HA 0.549 5.189 4.640 0.001 0.000 0.249 500 D C 0.826 177.197 176.300 0.118 0.000 1.049 500 D CA 0.732 54.770 54.000 0.063 0.000 0.929 500 D CB 1.353 42.199 40.800 0.076 0.000 1.176 500 D HN 0.379 nan 8.370 nan 0.000 0.437 501 G N -0.589 108.264 108.800 0.088 0.000 2.412 501 G HA2 0.611 4.571 3.960 0.001 0.000 0.318 501 G HA3 0.611 4.571 3.960 0.001 0.000 0.318 501 G C -1.031 173.882 174.900 0.021 0.000 1.146 501 G CA -0.369 44.777 45.100 0.078 0.000 0.882 501 G HN 0.515 nan 8.290 nan 0.000 0.501 502 A N 1.485 124.327 122.820 0.037 0.000 2.594 502 A HA 0.822 5.142 4.320 0.001 0.000 0.295 502 A C -0.274 177.366 177.584 0.094 0.000 1.071 502 A CA -0.864 51.210 52.037 0.062 0.000 0.685 502 A CB 1.592 20.620 19.000 0.048 0.000 1.285 502 A HN 1.118 nan 8.150 nan 0.000 0.405 503 R N 1.196 121.769 120.500 0.122 0.000 2.604 503 R HA 0.771 5.111 4.340 0.001 0.000 0.287 503 R C -0.562 175.794 176.300 0.092 0.000 0.970 503 R CA -0.610 55.535 56.100 0.075 0.000 0.946 503 R CB 1.447 31.747 30.300 0.000 0.000 1.127 503 R HN 0.733 nan 8.270 nan 0.000 0.473 504 R N 1.725 122.192 120.500 -0.056 0.000 2.460 504 R HA 0.169 4.509 4.340 0.001 0.000 0.303 504 R C -0.862 175.405 176.300 -0.055 0.000 0.968 504 R CA -0.615 55.365 56.100 -0.200 0.000 0.889 504 R CB 1.111 31.151 30.300 -0.435 0.000 1.123 504 R HN 0.909 nan 8.270 nan 0.000 0.455 505 D N 1.838 122.262 120.400 0.040 0.000 2.529 505 D HA 0.062 4.702 4.640 0.001 0.000 0.273 505 D C 0.296 176.583 176.300 -0.023 0.000 1.197 505 D CA -0.465 53.546 54.000 0.017 0.000 1.070 505 D CB 0.497 41.363 40.800 0.109 0.000 1.134 505 D HN 0.407 nan 8.370 nan 0.000 0.590 506 E N -0.908 119.266 120.200 -0.042 0.000 2.265 506 E HA -0.082 4.268 4.350 0.001 0.000 0.196 506 E C 0.690 177.270 176.600 -0.033 0.000 0.996 506 E CA 0.986 57.359 56.400 -0.044 0.000 0.832 506 E CB -0.094 29.572 29.700 -0.056 0.000 0.756 506 E HN 0.374 nan 8.360 nan 0.000 0.491 507 D N -1.161 119.214 120.400 -0.042 0.000 2.340 507 D HA 0.086 4.726 4.640 0.001 0.000 0.220 507 D C 0.994 177.364 176.300 0.118 0.000 1.039 507 D CA 0.816 54.801 54.000 -0.025 0.000 0.866 507 D CB 0.607 41.263 40.800 -0.241 0.000 0.913 507 D HN 0.279 nan 8.370 nan 0.000 0.523 508 G N 0.633 109.480 108.800 0.079 0.000 2.143 508 G HA2 -0.288 3.672 3.960 0.001 0.000 0.249 508 G HA3 -0.288 3.672 3.960 0.001 0.000 0.249 508 G C -0.102 174.839 174.900 0.070 0.000 0.981 508 G CA -0.272 44.852 45.100 0.040 0.000 0.665 508 G HN 0.215 nan 8.290 nan 0.000 0.528 509 Y N 0.104 120.329 120.300 -0.125 0.000 2.319 509 Y HA 0.570 5.119 4.550 -0.001 0.000 0.328 509 Y C 0.814 176.591 175.900 -0.205 0.000 1.133 509 Y CA -1.240 56.780 58.100 -0.134 0.000 1.265 509 Y CB 0.321 38.703 38.460 -0.130 0.000 1.218 509 Y HN 0.199 nan 8.280 nan 0.000 0.508 510 Y N 1.249 121.506 120.300 -0.072 0.000 2.310 510 Y HA 0.271 4.821 4.550 -0.001 0.000 0.326 510 Y C -0.888 174.863 175.900 -0.248 0.000 1.151 510 Y CA -0.762 57.301 58.100 -0.062 0.000 1.195 510 Y CB 0.773 39.160 38.460 -0.122 0.000 1.210 510 Y HN 0.517 nan 8.280 nan 0.000 0.483 511 W N 4.480 125.822 121.300 0.070 0.000 2.453 511 W HA 0.501 5.162 4.660 0.001 0.000 0.310 511 W C -1.482 175.027 176.519 -0.015 0.000 1.000 511 W CA -0.684 56.672 57.345 0.018 0.000 1.367 511 W CB 0.537 29.991 29.460 -0.009 0.000 1.269 511 W HN 0.201 nan 8.180 nan 0.000 0.418 512 I N 3.088 123.711 120.570 0.088 0.000 2.379 512 I HA 0.095 4.265 4.170 0.001 0.000 0.290 512 I C 1.532 177.682 176.117 0.055 0.000 1.063 512 I CA 0.251 61.529 61.300 -0.037 0.000 1.351 512 I CB 0.919 38.780 38.000 -0.233 0.000 1.410 512 I HN 0.498 nan 8.210 nan 0.000 0.505 513 T N 1.749 116.334 114.554 0.052 0.000 3.069 513 T HA 0.591 4.941 4.350 0.001 0.000 0.252 513 T C 0.713 175.447 174.700 0.056 0.000 1.053 513 T CA 0.050 62.190 62.100 0.066 0.000 0.964 513 T CB -0.336 68.567 68.868 0.059 0.000 1.005 513 T HN 1.000 nan 8.240 nan 0.000 0.532 514 G N 1.490 110.323 108.800 0.055 0.000 2.479 514 G HA2 0.032 3.992 3.960 0.001 0.000 0.686 514 G HA3 0.032 3.992 3.960 0.001 0.000 0.686 514 G C -1.189 173.749 174.900 0.063 0.000 1.295 514 G CA -1.420 43.718 45.100 0.064 0.000 0.922 514 G HN 0.387 nan 8.290 nan 0.000 0.582 515 R N -0.325 120.209 120.500 0.058 0.000 2.583 515 R HA 0.233 4.574 4.340 0.001 0.000 0.274 515 R C 1.655 177.989 176.300 0.057 0.000 0.998 515 R CA 0.501 56.629 56.100 0.046 0.000 1.081 515 R CB 0.429 30.746 30.300 0.029 0.000 0.940 515 R HN 1.434 nan 8.270 nan 0.000 0.413 516 V N -1.698 118.264 119.914 0.080 0.000 3.578 516 V HA 0.098 4.219 4.120 0.001 0.000 0.290 516 V C 0.415 176.574 176.094 0.109 0.000 1.376 516 V CA -0.081 62.287 62.300 0.114 0.000 1.083 516 V CB -0.202 31.733 31.823 0.186 0.000 0.911 516 V HN 0.626 nan 8.190 nan 0.000 0.433 517 D N -0.635 119.806 120.400 0.067 0.000 2.567 517 D HA 0.240 4.880 4.640 0.001 0.000 0.275 517 D C -0.248 176.068 176.300 0.027 0.000 1.195 517 D CA -0.816 53.212 54.000 0.047 0.000 1.087 517 D CB 0.181 40.986 40.800 0.008 0.000 1.165 517 D HN 0.012 nan 8.370 nan 0.000 0.609 518 D N -0.454 119.956 120.400 0.017 0.000 3.168 518 D HA 0.245 4.885 4.640 0.001 0.000 0.255 518 D C -0.728 175.584 176.300 0.020 0.000 1.314 518 D CA -0.054 53.958 54.000 0.020 0.000 0.900 518 D CB 0.310 41.122 40.800 0.019 0.000 1.072 518 D HN 0.028 nan 8.370 nan 0.000 0.487 519 V N 1.606 121.530 119.914 0.017 0.000 2.540 519 V HA 0.388 4.509 4.120 0.001 0.000 0.302 519 V C 0.367 176.471 176.094 0.017 0.000 1.035 519 V CA -0.768 61.542 62.300 0.017 0.000 0.873 519 V CB 2.438 34.265 31.823 0.007 0.000 0.992 519 V HN 0.077 nan 8.190 nan 0.000 0.428 520 L N 3.242 124.475 121.223 0.017 0.000 2.387 520 L HA 0.566 4.907 4.340 0.001 0.000 0.266 520 L C 0.028 176.891 176.870 -0.010 0.000 1.059 520 L CA -0.485 54.361 54.840 0.011 0.000 0.801 520 L CB 1.078 43.148 42.059 0.018 0.000 1.223 520 L HN 0.650 nan 8.230 nan 0.000 0.456 521 N N 0.211 118.899 118.700 -0.021 0.000 2.569 521 N HA 0.456 5.196 4.740 0.001 0.000 0.254 521 N C -1.663 173.808 175.510 -0.065 0.000 1.004 521 N CA -0.332 52.683 53.050 -0.058 0.000 0.904 521 N CB 1.266 39.721 38.487 -0.053 0.000 1.165 521 N HN 0.242 nan 8.380 nan 0.000 0.513 522 V N 2.655 122.522 119.914 -0.078 0.000 2.378 522 V HA 0.302 4.423 4.120 0.001 0.000 0.288 522 V C 0.378 176.397 176.094 -0.126 0.000 1.016 522 V CA -0.715 61.542 62.300 -0.071 0.000 0.840 522 V CB 1.242 33.051 31.823 -0.024 0.000 0.994 522 V HN 0.872 nan 8.190 nan 0.000 0.431 523 S N 3.522 119.127 115.700 -0.158 0.000 3.462 523 S HA -0.233 4.238 4.470 0.001 0.000 0.370 523 S C 1.433 175.747 174.600 -0.477 0.000 1.028 523 S CA 1.318 59.375 58.200 -0.237 0.000 1.119 523 S CB -1.382 61.719 63.200 -0.165 0.000 0.906 523 S HN 2.264 nan 8.310 nan 0.000 0.471 524 G N -0.450 108.111 108.800 -0.398 0.000 2.148 524 G HA2 -0.304 3.656 3.960 0.001 0.000 0.254 524 G HA3 -0.304 3.656 3.960 0.001 0.000 0.254 524 G C -0.318 174.176 174.900 -0.677 0.000 0.981 524 G CA 0.517 45.328 45.100 -0.482 0.000 0.670 524 G HN 0.879 nan 8.290 nan 0.000 0.528 525 H N -0.518 118.326 119.070 -0.377 0.000 2.467 525 H HA 0.545 5.102 4.556 0.001 0.000 0.326 525 H C 0.586 175.726 175.328 -0.314 0.000 1.094 525 H CA -0.690 55.056 56.048 -0.503 0.000 1.253 525 H CB 1.008 30.490 29.762 -0.466 0.000 1.439 525 H HN 0.291 nan 8.280 nan 0.000 0.479 526 R N 4.218 124.597 120.500 -0.200 0.000 2.248 526 R HA 0.292 4.632 4.340 0.001 0.000 0.328 526 R C -1.373 174.918 176.300 -0.015 0.000 1.067 526 R CA -0.229 55.813 56.100 -0.096 0.000 0.924 526 R CB 0.051 30.292 30.300 -0.100 0.000 1.013 526 R HN 0.593 nan 8.270 nan 0.000 0.454 527 L N 3.708 124.939 121.223 0.014 0.000 2.410 527 L HA 0.481 4.821 4.340 0.001 0.000 0.270 527 L C 0.367 177.267 176.870 0.049 0.000 0.983 527 L CA -1.119 53.753 54.840 0.053 0.000 0.822 527 L CB 2.277 44.369 42.059 0.054 0.000 1.285 527 L HN 0.811 nan 8.230 nan 0.000 0.409 528 G N -0.221 108.617 108.800 0.062 0.000 2.415 528 G HA2 0.355 4.316 3.960 0.001 0.000 0.269 528 G HA3 0.355 4.316 3.960 0.001 0.000 0.269 528 G C 0.991 175.923 174.900 0.053 0.000 1.209 528 G CA 0.207 45.338 45.100 0.051 0.000 0.835 528 G HN 0.758 nan 8.290 nan 0.000 0.534 529 T N 0.135 114.717 114.554 0.047 0.000 2.777 529 T HA -0.091 4.260 4.350 0.001 0.000 0.266 529 T C 2.593 177.327 174.700 0.056 0.000 1.040 529 T CA 1.580 63.711 62.100 0.053 0.000 1.141 529 T CB -0.284 68.615 68.868 0.051 0.000 0.868 529 T HN 0.654 nan 8.240 nan 0.000 0.444 530 A N 2.883 125.732 122.820 0.048 0.000 1.908 530 A HA -0.197 4.123 4.320 0.001 0.000 0.218 530 A C 2.373 179.991 177.584 0.058 0.000 1.181 530 A CA 1.982 54.047 52.037 0.048 0.000 0.627 530 A CB -0.836 18.186 19.000 0.037 0.000 0.818 530 A HN 0.877 nan 8.150 nan 0.000 0.445 531 E N -0.142 120.095 120.200 0.061 0.000 2.208 531 E HA -0.112 4.238 4.350 0.001 0.000 0.193 531 E C 1.769 178.416 176.600 0.079 0.000 0.988 531 E CA 1.202 57.643 56.400 0.068 0.000 0.828 531 E CB -0.392 29.351 29.700 0.072 0.000 0.763 531 E HN 0.673 nan 8.360 nan 0.000 0.478 532 I N 1.150 121.768 120.570 0.079 0.000 2.406 532 I HA -0.148 4.023 4.170 0.001 0.000 0.249 532 I C 2.190 178.363 176.117 0.093 0.000 1.122 532 I CA 0.994 62.345 61.300 0.084 0.000 1.431 532 I CB -0.265 37.777 38.000 0.070 0.000 1.087 532 I HN 0.089 nan 8.210 nan 0.000 0.424 533 E N 0.858 121.108 120.200 0.083 0.000 2.077 533 E HA -0.171 4.180 4.350 0.001 0.000 0.193 533 E C 2.352 179.012 176.600 0.100 0.000 0.989 533 E CA 1.497 57.948 56.400 0.085 0.000 0.800 533 E CB -0.066 29.677 29.700 0.072 0.000 0.746 533 E HN 0.290 nan 8.360 nan 0.000 0.452 534 S N 0.506 116.264 115.700 0.097 0.000 2.359 534 S HA -0.230 4.241 4.470 0.001 0.000 0.224 534 S C 2.092 176.789 174.600 0.161 0.000 1.035 534 S CA 1.150 59.415 58.200 0.109 0.000 1.018 534 S CB -0.265 62.986 63.200 0.086 0.000 0.876 534 S HN 0.414 nan 8.310 nan 0.000 0.448 535 A N 1.226 124.146 122.820 0.167 0.000 1.877 535 A HA -0.027 4.294 4.320 0.001 0.000 0.216 535 A C 2.134 179.972 177.584 0.424 0.000 1.186 535 A CA 1.223 53.404 52.037 0.241 0.000 0.620 535 A CB -0.770 18.321 19.000 0.151 0.000 0.822 535 A HN 0.458 nan 8.150 nan 0.000 0.443 536 L N -0.498 120.893 121.223 0.279 0.000 2.012 536 L HA -0.182 4.158 4.340 0.001 0.000 0.210 536 L C 2.431 179.404 176.870 0.172 0.000 1.073 536 L CA 1.292 56.262 54.840 0.218 0.000 0.748 536 L CB -0.521 41.604 42.059 0.109 0.000 0.891 536 L HN 0.253 nan 8.230 nan 0.000 0.431 537 V N -0.221 119.790 119.914 0.160 0.000 2.809 537 V HA -0.160 3.960 4.120 0.001 0.000 0.256 537 V C 2.527 178.704 176.094 0.139 0.000 1.080 537 V CA 1.336 63.708 62.300 0.119 0.000 1.102 537 V CB -0.616 31.267 31.823 0.099 0.000 0.705 537 V HN 0.455 nan 8.190 nan 0.000 0.475 538 A N -1.477 121.494 122.820 0.252 0.000 2.066 538 A HA -0.125 4.195 4.320 0.001 0.000 0.218 538 A C 1.390 179.094 177.584 0.199 0.000 1.157 538 A CA 0.436 52.662 52.037 0.316 0.000 0.670 538 A CB -0.603 18.679 19.000 0.470 0.000 0.804 538 A HN 0.599 nan 8.150 nan 0.000 0.453 539 H N 1.261 120.182 119.070 -0.247 0.000 2.929 539 H HA 0.085 4.641 4.556 0.001 0.000 0.317 539 H C -1.632 173.418 175.328 -0.462 0.000 1.031 539 H CA -1.305 54.148 56.048 -0.992 0.000 1.466 539 H CB 1.165 30.234 29.762 -1.155 0.000 1.482 539 H HN 0.133 nan 8.280 nan 0.000 0.561 540 P HA -0.089 nan 4.420 nan 0.000 0.228 540 P C 0.522 177.785 177.300 -0.062 0.000 1.151 540 P CA 1.138 64.102 63.100 -0.227 0.000 0.770 540 P CB 0.312 31.849 31.700 -0.272 0.000 0.786 541 K N -0.933 119.537 120.400 0.117 0.000 2.367 541 K HA 0.221 4.541 4.320 0.001 0.000 0.194 541 K C 0.806 177.428 176.600 0.036 0.000 1.027 541 K CA 0.006 56.344 56.287 0.085 0.000 1.075 541 K CB 0.360 32.912 32.500 0.087 0.000 0.845 541 K HN 0.206 nan 8.250 nan 0.000 0.529 542 I N 0.739 121.340 120.570 0.051 0.000 2.321 542 I HA 0.122 4.293 4.170 0.001 0.000 0.291 542 I C 0.880 177.022 176.117 0.042 0.000 0.998 542 I CA -0.379 60.934 61.300 0.023 0.000 1.227 542 I CB 1.799 39.795 38.000 -0.006 0.000 1.368 542 I HN 0.013 nan 8.210 nan 0.000 0.466 543 A N 5.147 127.997 122.820 0.051 0.000 1.878 543 A HA 0.119 4.439 4.320 0.001 0.000 0.213 543 A C 0.707 178.330 177.584 0.065 0.000 1.192 543 A CA 0.991 53.066 52.037 0.063 0.000 0.619 543 A CB 0.163 19.211 19.000 0.080 0.000 0.837 543 A HN 0.752 nan 8.150 nan 0.000 0.446 544 E N -2.291 117.950 120.200 0.068 0.000 2.335 544 E HA 0.603 4.954 4.350 0.001 0.000 0.280 544 E C -1.470 175.176 176.600 0.076 0.000 0.918 544 E CA -0.253 56.188 56.400 0.067 0.000 0.765 544 E CB 2.090 31.828 29.700 0.064 0.000 1.218 544 E HN 0.488 nan 8.360 nan 0.000 0.425 545 A N 1.920 124.784 122.820 0.074 0.000 2.486 545 A HA 0.907 5.227 4.320 0.001 0.000 0.300 545 A C -1.536 176.098 177.584 0.084 0.000 1.048 545 A CA -0.164 51.924 52.037 0.084 0.000 0.696 545 A CB 1.842 20.887 19.000 0.075 0.000 1.278 545 A HN 0.563 nan 8.150 nan 0.000 0.405 546 A N 1.182 124.073 122.820 0.118 0.000 2.359 546 A HA 0.710 5.030 4.320 0.001 0.000 0.303 546 A C -1.153 176.555 177.584 0.206 0.000 1.066 546 A CA -0.455 51.653 52.037 0.118 0.000 0.730 546 A CB 1.344 20.375 19.000 0.051 0.000 1.211 546 A HN 1.321 nan 8.150 nan 0.000 0.439 547 V N 3.193 123.199 119.914 0.153 0.000 2.495 547 V HA 0.674 4.794 4.120 0.001 0.000 0.298 547 V C 0.021 176.203 176.094 0.147 0.000 1.031 547 V CA -0.373 62.019 62.300 0.153 0.000 0.871 547 V CB 1.493 33.372 31.823 0.093 0.000 0.988 547 V HN 1.190 nan 8.190 nan 0.000 0.432 548 V N 1.921 121.942 119.914 0.179 0.000 3.074 548 V HA 1.041 5.162 4.120 0.001 0.000 0.314 548 V C 0.236 176.390 176.094 0.100 0.000 1.117 548 V CA -0.545 61.828 62.300 0.123 0.000 1.014 548 V CB 1.908 33.806 31.823 0.124 0.000 1.057 548 V HN 0.901 nan 8.190 nan 0.000 0.438 549 G N 1.377 110.213 108.800 0.060 0.000 2.389 549 G HA2 0.729 4.689 3.960 0.001 0.000 0.317 549 G HA3 0.729 4.689 3.960 0.001 0.000 0.317 549 G C -0.670 174.247 174.900 0.029 0.000 1.137 549 G CA -0.573 44.558 45.100 0.051 0.000 0.870 549 G HN 1.485 nan 8.290 nan 0.000 0.496 550 I N -0.759 119.838 120.570 0.046 0.000 2.730 550 I HA 0.591 4.762 4.170 0.001 0.000 0.298 550 I C -2.797 173.359 176.117 0.066 0.000 1.089 550 I CA -3.084 58.234 61.300 0.030 0.000 1.041 550 I CB 2.586 40.602 38.000 0.026 0.000 1.235 550 I HN 0.185 nan 8.210 nan 0.000 0.423 551 P HA 0.105 nan 4.420 nan 0.000 0.266 551 P C -1.384 175.980 177.300 0.106 0.000 1.193 551 P CA 0.540 63.676 63.100 0.059 0.000 0.770 551 P CB 0.143 31.857 31.700 0.024 0.000 0.836 552 H N 0.741 119.813 119.070 0.002 0.000 2.856 552 H HA 0.530 5.086 4.556 0.000 0.000 0.355 552 H C 0.645 175.967 175.328 -0.009 0.000 1.079 552 H CA -0.515 55.533 56.048 0.001 0.000 1.240 552 H CB 1.521 31.285 29.762 0.004 0.000 1.701 552 H HN 0.300 nan 8.280 nan 0.000 0.527 553 A N 4.809 127.462 122.820 -0.278 0.000 2.015 553 A HA -0.072 4.248 4.320 0.001 0.000 0.219 553 A C 1.301 178.877 177.584 -0.014 0.000 1.163 553 A CA 1.478 53.439 52.037 -0.127 0.000 0.646 553 A CB -0.209 18.690 19.000 -0.168 0.000 0.806 553 A HN 0.636 nan 8.150 nan 0.000 0.448 554 I N -1.406 119.247 120.570 0.139 0.000 3.194 554 I HA 0.015 4.185 4.170 0.001 0.000 0.271 554 I C 1.732 177.935 176.117 0.143 0.000 1.150 554 I CA 0.862 62.248 61.300 0.143 0.000 1.440 554 I CB -1.147 36.922 38.000 0.115 0.000 1.276 554 I HN 0.234 nan 8.210 nan 0.000 0.457 555 K N 1.069 121.620 120.400 0.251 0.000 2.439 555 K HA 0.111 4.431 4.320 0.001 0.000 0.197 555 K C 1.543 178.142 176.600 -0.001 0.000 1.041 555 K CA 0.780 57.054 56.287 -0.021 0.000 0.970 555 K CB 0.196 32.525 32.500 -0.285 0.000 0.773 555 K HN 0.489 nan 8.250 nan 0.000 0.479 556 G N 1.154 110.004 108.800 0.084 0.000 3.909 556 G HA2 -0.318 3.642 3.960 0.001 0.000 0.218 556 G HA3 -0.318 3.642 3.960 0.001 0.000 0.218 556 G C 0.021 174.962 174.900 0.069 0.000 1.404 556 G CA 0.009 45.138 45.100 0.049 0.000 0.905 556 G HN 0.360 nan 8.290 nan 0.000 0.589 557 Q N 0.497 120.319 119.800 0.037 0.000 2.394 557 Q HA 0.704 5.044 4.340 0.001 0.000 0.273 557 Q C -0.223 175.780 176.000 0.005 0.000 1.089 557 Q CA -0.177 55.653 55.803 0.045 0.000 0.812 557 Q CB 2.326 31.077 28.738 0.022 0.000 1.353 557 Q HN 0.974 nan 8.270 nan 0.000 0.438 558 A N 1.964 124.807 122.820 0.038 0.000 2.299 558 A HA 0.744 5.064 4.320 0.001 0.000 0.332 558 A C -0.700 176.908 177.584 0.040 0.000 1.131 558 A CA -0.678 51.350 52.037 -0.015 0.000 0.844 558 A CB 0.741 19.759 19.000 0.029 0.000 1.251 558 A HN 0.707 nan 8.150 nan 0.000 0.486 559 I N 1.071 121.654 120.570 0.022 0.000 2.304 559 I HA 0.239 4.409 4.170 0.001 0.000 0.291 559 I C -1.148 175.003 176.117 0.056 0.000 1.018 559 I CA -0.085 61.240 61.300 0.041 0.000 1.260 559 I CB 0.799 38.804 38.000 0.010 0.000 1.390 559 I HN 0.623 nan 8.210 nan 0.000 0.475 560 Y N 6.727 126.990 120.300 -0.061 0.000 2.328 560 Y HA 0.710 5.260 4.550 0.001 0.000 0.333 560 Y C -0.419 175.389 175.900 -0.153 0.000 0.958 560 Y CA -0.967 57.058 58.100 -0.125 0.000 1.167 560 Y CB 1.451 39.840 38.460 -0.118 0.000 1.151 560 Y HN 0.574 nan 8.280 nan 0.000 0.470 561 A N 6.332 129.020 122.820 -0.219 0.000 2.273 561 A HA 0.521 4.842 4.320 0.001 0.000 0.315 561 A C -1.916 175.531 177.584 -0.229 0.000 1.256 561 A CA -0.507 51.450 52.037 -0.133 0.000 0.851 561 A CB -0.051 18.858 19.000 -0.152 0.000 1.172 561 A HN 0.750 nan 8.150 nan 0.000 0.508 562 Y N 1.860 122.156 120.300 -0.007 0.000 2.393 562 Y HA 0.410 4.960 4.550 0.000 0.000 0.338 562 Y C 0.265 176.154 175.900 -0.019 0.000 1.029 562 Y CA 0.103 58.183 58.100 -0.032 0.000 1.239 562 Y CB 1.172 39.596 38.460 -0.060 0.000 1.170 562 Y HN 0.370 nan 8.280 nan 0.000 0.515 563 V N 3.412 123.403 119.914 0.128 0.000 2.540 563 V HA 0.390 4.511 4.120 0.001 0.000 0.302 563 V C -0.255 175.976 176.094 0.227 0.000 1.035 563 V CA -0.848 61.536 62.300 0.141 0.000 0.873 563 V CB 2.102 33.976 31.823 0.085 0.000 0.992 563 V HN 0.728 nan 8.190 nan 0.000 0.428 564 T N 6.287 120.937 114.554 0.160 0.000 2.772 564 T HA 0.572 4.923 4.350 0.001 0.000 0.288 564 T C -0.089 174.662 174.700 0.086 0.000 0.994 564 T CA -0.281 61.892 62.100 0.121 0.000 0.951 564 T CB 0.661 69.577 68.868 0.079 0.000 0.933 564 T HN 0.342 nan 8.240 nan 0.000 0.447 565 L N 3.228 124.483 121.223 0.054 0.000 2.436 565 L HA 0.301 4.642 4.340 0.001 0.000 0.265 565 L C 1.072 177.934 176.870 -0.014 0.000 1.168 565 L CA -0.989 53.849 54.840 -0.005 0.000 0.815 565 L CB 0.326 42.336 42.059 -0.082 0.000 1.109 565 L HN 0.548 nan 8.230 nan 0.000 0.462 566 N N 0.519 119.225 118.700 0.010 0.000 2.395 566 N HA -0.040 4.700 4.740 0.001 0.000 0.246 566 N C -0.028 175.507 175.510 0.043 0.000 1.246 566 N CA 0.137 53.221 53.050 0.056 0.000 0.879 566 N CB 0.219 38.736 38.487 0.050 0.000 1.098 566 N HN 0.443 nan 8.380 nan 0.000 0.444 567 H N 0.370 119.438 119.070 -0.004 0.000 3.070 567 H HA 0.017 4.574 4.556 0.001 0.000 0.313 567 H C 1.305 176.624 175.328 -0.015 0.000 0.997 567 H CA 1.264 57.308 56.048 -0.006 0.000 1.438 567 H CB 0.390 30.151 29.762 -0.002 0.000 1.455 567 H HN 0.880 nan 8.280 nan 0.000 0.575 568 G N 3.282 112.104 108.800 0.037 0.000 2.176 568 G HA2 -0.211 3.749 3.960 0.001 0.000 0.232 568 G HA3 -0.211 3.749 3.960 0.001 0.000 0.232 568 G C 0.096 174.979 174.900 -0.029 0.000 0.986 568 G CA -0.300 44.806 45.100 0.010 0.000 0.643 568 G HN 0.518 nan 8.290 nan 0.000 0.522 569 E N 1.117 121.284 120.200 -0.054 0.000 2.231 569 E HA 0.620 4.971 4.350 0.001 0.000 0.277 569 E C 0.312 176.829 176.600 -0.138 0.000 0.999 569 E CA 0.492 56.837 56.400 -0.091 0.000 0.827 569 E CB 1.358 31.001 29.700 -0.095 0.000 1.101 569 E HN 0.779 nan 8.360 nan 0.000 0.393 570 E N 2.671 122.772 120.200 -0.164 0.000 2.199 570 E HA 0.514 4.864 4.350 0.001 0.000 0.269 570 E C -2.539 173.857 176.600 -0.341 0.000 0.899 570 E CA -2.041 54.234 56.400 -0.208 0.000 0.772 570 E CB 0.733 30.348 29.700 -0.143 0.000 1.155 570 E HN 0.145 nan 8.360 nan 0.000 0.408 571 P HA 0.405 nan 4.420 nan 0.000 0.271 571 P C -0.602 176.450 177.300 -0.413 0.000 1.233 571 P CA -0.151 62.463 63.100 -0.810 0.000 0.789 571 P CB 0.857 31.892 31.700 -1.107 0.000 0.951 572 S N -0.492 115.019 115.700 -0.314 0.000 2.615 572 S HA 0.455 4.926 4.470 0.001 0.000 0.269 572 S C -2.483 172.145 174.600 0.047 0.000 1.161 572 S CA -1.038 57.103 58.200 -0.097 0.000 0.817 572 S CB 0.960 64.112 63.200 -0.080 0.000 1.131 572 S HN 0.141 nan 8.310 nan 0.000 0.467 573 P HA 0.080 nan 4.420 nan 0.000 0.222 573 P C 1.239 178.617 177.300 0.129 0.000 1.153 573 P CA 0.657 63.816 63.100 0.097 0.000 0.798 573 P CB 0.152 31.867 31.700 0.025 0.000 0.796 574 E N -0.423 119.825 120.200 0.081 0.000 2.085 574 E HA -0.182 4.169 4.350 0.001 0.000 0.194 574 E C 1.764 178.437 176.600 0.122 0.000 0.994 574 E CA 1.048 57.498 56.400 0.083 0.000 0.801 574 E CB -0.458 29.268 29.700 0.044 0.000 0.743 574 E HN 0.125 nan 8.360 nan 0.000 0.453 575 L N 0.003 121.292 121.223 0.110 0.000 2.109 575 L HA -0.132 4.208 4.340 0.001 0.000 0.207 575 L C 2.163 179.207 176.870 0.289 0.000 1.086 575 L CA 1.394 56.296 54.840 0.104 0.000 0.760 575 L CB -0.740 41.259 42.059 -0.101 0.000 0.910 575 L HN 0.141 nan 8.230 nan 0.000 0.437 576 Y N 0.075 120.571 120.300 0.326 0.000 2.014 576 Y HA -0.398 4.152 4.550 0.001 0.000 0.272 576 Y C 2.473 178.462 175.900 0.148 0.000 1.164 576 Y CA 2.570 60.865 58.100 0.325 0.000 1.114 576 Y CB -0.484 38.124 38.460 0.247 0.000 0.961 576 Y HN 0.268 nan 8.280 nan 0.000 0.489 577 A N -0.367 122.668 122.820 0.359 0.000 1.933 577 A HA -0.236 4.085 4.320 0.001 0.000 0.218 577 A C 2.190 179.875 177.584 0.168 0.000 1.175 577 A CA 1.809 53.981 52.037 0.226 0.000 0.628 577 A CB -0.874 18.235 19.000 0.181 0.000 0.814 577 A HN 0.669 nan 8.150 nan 0.000 0.444 578 E N -0.131 120.172 120.200 0.172 0.000 2.038 578 E HA -0.156 4.195 4.350 0.001 0.000 0.195 578 E C 1.950 178.677 176.600 0.213 0.000 1.000 578 E CA 1.678 58.188 56.400 0.185 0.000 0.803 578 E CB -0.147 29.659 29.700 0.176 0.000 0.750 578 E HN 0.331 nan 8.360 nan 0.000 0.448 579 V N 1.583 121.565 119.914 0.114 0.000 2.295 579 V HA -0.278 3.843 4.120 0.001 0.000 0.246 579 V C 2.523 178.696 176.094 0.132 0.000 1.049 579 V CA 1.970 64.296 62.300 0.043 0.000 1.024 579 V CB -0.599 31.178 31.823 -0.077 0.000 0.648 579 V HN 0.280 nan 8.190 nan 0.000 0.447 580 R N 0.342 120.868 120.500 0.044 0.000 2.094 580 R HA -0.200 4.141 4.340 0.001 0.000 0.239 580 R C 2.166 178.534 176.300 0.113 0.000 1.137 580 R CA 1.871 57.996 56.100 0.041 0.000 0.943 580 R CB -0.832 29.476 30.300 0.013 0.000 0.850 580 R HN 0.510 nan 8.270 nan 0.000 0.433 581 N N 0.289 119.076 118.700 0.145 0.000 2.205 581 N HA -0.210 4.530 4.740 0.001 0.000 0.186 581 N C 1.315 176.939 175.510 0.190 0.000 1.015 581 N CA 0.886 54.024 53.050 0.146 0.000 0.862 581 N CB -0.427 38.148 38.487 0.147 0.000 0.986 581 N HN 0.418 nan 8.380 nan 0.000 0.429 582 W N 1.782 123.135 121.300 0.088 0.000 2.354 582 W HA -0.162 4.499 4.660 0.001 0.000 0.315 582 W C 1.527 178.093 176.519 0.079 0.000 1.206 582 W CA 1.157 58.570 57.345 0.114 0.000 1.290 582 W CB -0.374 29.226 29.460 0.233 0.000 1.152 582 W HN -0.154 nan 8.180 nan 0.000 0.489 583 V N 1.141 121.196 119.914 0.235 0.000 2.392 583 V HA -0.318 3.803 4.120 0.001 0.000 0.249 583 V C 2.290 178.392 176.094 0.014 0.000 1.059 583 V CA 2.456 64.814 62.300 0.097 0.000 1.051 583 V CB -1.160 30.735 31.823 0.121 0.000 0.658 583 V HN 0.256 nan 8.190 nan 0.000 0.455 584 E N 0.492 120.710 120.200 0.029 0.000 2.153 584 E HA -0.272 4.079 4.350 0.001 0.000 0.194 584 E C 2.280 178.866 176.600 -0.023 0.000 0.988 584 E CA 1.433 57.843 56.400 0.016 0.000 0.811 584 E CB -0.077 29.641 29.700 0.030 0.000 0.746 584 E HN 0.634 nan 8.360 nan 0.000 0.466 585 K N 0.101 120.449 120.400 -0.087 0.000 2.116 585 K HA -0.103 4.217 4.320 0.001 0.000 0.203 585 K C 1.850 178.322 176.600 -0.214 0.000 1.052 585 K CA 0.913 57.106 56.287 -0.157 0.000 0.952 585 K CB 0.178 32.544 32.500 -0.224 0.000 0.729 585 K HN 0.029 nan 8.250 nan 0.000 0.446 586 E N 0.401 120.433 120.200 -0.280 0.000 2.072 586 E HA -0.093 4.257 4.350 0.001 0.000 0.190 586 E C 1.935 178.487 176.600 -0.080 0.000 0.982 586 E CA 1.199 57.452 56.400 -0.244 0.000 0.803 586 E CB 0.179 29.722 29.700 -0.262 0.000 0.755 586 E HN 0.419 nan 8.360 nan 0.000 0.453 587 I N -1.616 118.957 120.570 0.004 0.000 3.623 587 I HA 0.267 4.438 4.170 0.001 0.000 0.253 587 I C 0.957 177.211 176.117 0.229 0.000 1.144 587 I CA 0.431 61.813 61.300 0.137 0.000 1.461 587 I CB 1.008 39.103 38.000 0.160 0.000 1.575 587 I HN 0.041 nan 8.210 nan 0.000 0.445 588 G N -0.047 108.830 108.800 0.129 0.000 2.340 588 G HA2 0.147 4.107 3.960 0.001 0.000 0.300 588 G HA3 0.147 4.107 3.960 0.001 0.000 0.300 588 G C -2.704 172.222 174.900 0.043 0.000 1.488 588 G CA -0.645 44.507 45.100 0.086 0.000 0.878 588 G HN -0.247 nan 8.290 nan 0.000 0.618 589 P HA -0.139 nan 4.420 nan 0.000 0.218 589 P C 2.337 179.649 177.300 0.020 0.000 1.152 589 P CA 1.883 64.996 63.100 0.021 0.000 0.857 589 P CB -0.048 31.663 31.700 0.018 0.000 0.787 590 L N -3.864 117.360 121.223 0.001 0.000 2.261 590 L HA -0.009 4.331 4.340 0.001 0.000 0.216 590 L C 1.923 178.797 176.870 0.007 0.000 1.114 590 L CA 2.079 56.900 54.840 -0.032 0.000 0.777 590 L CB -1.265 40.651 42.059 -0.238 0.000 0.910 590 L HN -0.141 nan 8.230 nan 0.000 0.440 591 A N -0.645 122.192 122.820 0.029 0.000 2.390 591 A HA 0.251 4.571 4.320 0.001 0.000 0.232 591 A C 0.898 178.501 177.584 0.032 0.000 1.233 591 A CA -0.126 51.937 52.037 0.045 0.000 0.907 591 A CB -0.323 18.725 19.000 0.080 0.000 0.967 591 A HN 0.372 nan 8.150 nan 0.000 0.512 592 T N 3.812 118.380 114.554 0.023 0.000 2.871 592 T HA 0.291 4.641 4.350 0.001 0.000 0.296 592 T C -2.594 172.098 174.700 -0.013 0.000 0.998 592 T CA -0.177 61.931 62.100 0.012 0.000 1.162 592 T CB 0.410 69.287 68.868 0.016 0.000 0.947 592 T HN 0.164 nan 8.240 nan 0.000 0.536 593 P HA 0.217 nan 4.420 nan 0.000 0.271 593 P C -0.078 177.167 177.300 -0.092 0.000 1.220 593 P CA -0.262 62.789 63.100 -0.080 0.000 0.768 593 P CB 0.594 32.207 31.700 -0.145 0.000 0.848 594 D N 0.831 121.190 120.400 -0.068 0.000 2.183 594 D HA -0.029 4.611 4.640 0.001 0.000 0.203 594 D C 0.187 176.458 176.300 -0.049 0.000 0.969 594 D CA 1.244 55.223 54.000 -0.033 0.000 0.842 594 D CB 0.119 40.914 40.800 -0.009 0.000 0.957 594 D HN 0.107 nan 8.370 nan 0.000 0.484 595 V N 0.963 120.770 119.914 -0.180 0.000 2.709 595 V HA 0.372 4.492 4.120 0.001 0.000 0.308 595 V C -0.767 174.967 176.094 -0.601 0.000 1.062 595 V CA -0.822 61.277 62.300 -0.335 0.000 0.901 595 V CB 2.408 33.907 31.823 -0.540 0.000 1.003 595 V HN -0.004 nan 8.190 nan 0.000 0.425 596 L N 3.726 124.505 121.223 -0.741 0.000 2.319 596 L HA 0.522 4.862 4.340 0.001 0.000 0.281 596 L C -0.563 175.733 176.870 -0.957 0.000 1.005 596 L CA -0.475 53.746 54.840 -1.031 0.000 0.828 596 L CB 1.394 42.480 42.059 -1.622 0.000 1.227 596 L HN 0.746 nan 8.230 nan 0.000 0.415 597 H N 3.300 121.840 119.070 -0.882 0.000 2.690 597 H HA 0.233 4.790 4.556 0.001 0.000 0.280 597 H C -1.041 174.106 175.328 -0.301 0.000 1.138 597 H CA -0.741 54.959 56.048 -0.580 0.000 1.241 597 H CB 0.443 29.850 29.762 -0.592 0.000 1.394 597 H HN 0.485 nan 8.280 nan 0.000 0.489 598 W N 4.587 125.935 121.300 0.080 0.000 2.397 598 W HA 0.169 4.830 4.660 0.001 0.000 0.327 598 W C 0.437 177.080 176.519 0.207 0.000 1.421 598 W CA -0.199 57.202 57.345 0.093 0.000 1.288 598 W CB 0.646 30.121 29.460 0.025 0.000 1.312 598 W HN 0.400 nan 8.180 nan 0.000 0.559 599 T N 2.486 117.290 114.554 0.417 0.000 2.932 599 T HA 0.122 4.473 4.350 0.001 0.000 0.318 599 T C -0.161 174.643 174.700 0.174 0.000 1.265 599 T CA -0.685 61.602 62.100 0.312 0.000 1.036 599 T CB 1.325 70.405 68.868 0.353 0.000 1.209 599 T HN 0.377 nan 8.240 nan 0.000 0.484 600 D N 1.737 122.206 120.400 0.114 0.000 2.431 600 D HA 0.207 4.847 4.640 0.001 0.000 0.213 600 D C 0.512 176.841 176.300 0.049 0.000 1.130 600 D CA 0.066 54.096 54.000 0.049 0.000 0.834 600 D CB 0.780 41.579 40.800 -0.002 0.000 0.985 600 D HN 0.304 nan 8.370 nan 0.000 0.504 601 S N 0.628 116.368 115.700 0.067 0.000 2.506 601 S HA 0.238 4.708 4.470 0.001 0.000 0.245 601 S C 0.689 175.283 174.600 -0.009 0.000 1.088 601 S CA -0.365 57.858 58.200 0.039 0.000 1.099 601 S CB 0.180 63.417 63.200 0.061 0.000 0.805 601 S HN 0.197 nan 8.310 nan 0.000 0.461 602 L N 4.101 125.313 121.223 -0.019 0.000 2.534 602 L HA 0.155 4.495 4.340 0.001 0.000 0.271 602 L C -1.947 174.880 176.870 -0.072 0.000 1.178 602 L CA -1.245 53.548 54.840 -0.077 0.000 0.907 602 L CB 0.170 42.202 42.059 -0.044 0.000 1.164 602 L HN 0.069 nan 8.230 nan 0.000 0.482 603 P HA 0.182 nan 4.420 nan 0.000 0.279 603 P C -1.131 176.132 177.300 -0.062 0.000 1.318 603 P CA -0.245 62.807 63.100 -0.080 0.000 0.819 603 P CB 0.547 32.184 31.700 -0.107 0.000 0.927 604 K N 2.189 122.567 120.400 -0.037 0.000 2.270 604 K HA 0.628 4.949 4.320 0.001 0.000 0.255 604 K C 0.904 177.493 176.600 -0.019 0.000 0.936 604 K CA -0.576 55.695 56.287 -0.026 0.000 0.809 604 K CB 1.302 33.794 32.500 -0.014 0.000 1.131 604 K HN 0.369 nan 8.250 nan 0.000 0.427 605 T N 0.562 115.105 114.554 -0.018 0.000 2.795 605 T HA 0.166 4.516 4.350 0.001 0.000 0.314 605 T C 1.543 176.238 174.700 -0.008 0.000 1.069 605 T CA 0.542 62.635 62.100 -0.013 0.000 1.071 605 T CB 0.245 69.105 68.868 -0.013 0.000 0.988 605 T HN 0.687 nan 8.240 nan 0.000 0.543 606 R N 1.045 121.542 120.500 -0.006 0.000 2.117 606 R HA -0.074 4.266 4.340 0.001 0.000 0.243 606 R C 2.954 179.252 176.300 -0.003 0.000 1.143 606 R CA 2.537 58.635 56.100 -0.003 0.000 0.968 606 R CB -1.814 28.484 30.300 -0.003 0.000 0.863 606 R HN 1.187 nan 8.270 nan 0.000 0.444 607 S N -2.022 113.675 115.700 -0.004 0.000 2.500 607 S HA 0.261 4.731 4.470 0.001 0.000 0.239 607 S C 1.880 176.478 174.600 -0.003 0.000 0.989 607 S CA 1.190 59.387 58.200 -0.004 0.000 0.951 607 S CB -0.033 63.164 63.200 -0.005 0.000 0.759 607 S HN 1.810 nan 8.310 nan 0.000 0.523 608 G N -0.248 108.550 108.800 -0.004 0.000 2.201 608 G HA2 -0.027 3.933 3.960 0.001 0.000 0.212 608 G HA3 -0.027 3.933 3.960 0.001 0.000 0.212 608 G C 0.241 175.138 174.900 -0.006 0.000 0.994 608 G CA 0.166 45.265 45.100 -0.002 0.000 0.644 608 G HN 1.053 nan 8.290 nan 0.000 0.508 609 K N 0.225 120.619 120.400 -0.009 0.000 2.436 609 K HA 0.654 4.975 4.320 0.001 0.000 0.275 609 K C 0.607 177.195 176.600 -0.020 0.000 0.999 609 K CA 0.406 56.685 56.287 -0.013 0.000 0.980 609 K CB 0.729 33.220 32.500 -0.014 0.000 0.919 609 K HN 1.746 nan 8.250 nan 0.000 0.484 610 I N 4.398 124.954 120.570 -0.024 0.000 2.325 610 I HA 0.385 4.555 4.170 0.001 0.000 0.291 610 I C 0.291 176.378 176.117 -0.050 0.000 1.019 610 I CA -0.946 60.329 61.300 -0.041 0.000 1.302 610 I CB 0.510 38.486 38.000 -0.041 0.000 1.401 610 I HN 0.708 nan 8.210 nan 0.000 0.485 611 M N 7.668 127.229 119.600 -0.065 0.000 2.685 611 M HA 0.256 4.736 4.480 0.001 0.000 0.316 611 M C 1.201 177.448 176.300 -0.088 0.000 1.523 611 M CA 0.513 55.773 55.300 -0.066 0.000 1.472 611 M CB -0.882 31.678 32.600 -0.067 0.000 1.525 611 M HN 0.679 nan 8.290 nan 0.000 0.471 612 R N 1.040 121.501 120.500 -0.066 0.000 2.200 612 R HA -0.027 4.314 4.340 0.001 0.000 0.208 612 R C 2.525 178.791 176.300 -0.058 0.000 1.033 612 R CA 1.000 57.060 56.100 -0.067 0.000 1.000 612 R CB -0.237 30.043 30.300 -0.033 0.000 0.906 612 R HN 0.724 nan 8.270 nan 0.000 0.462 613 R N 1.630 122.102 120.500 -0.046 0.000 2.092 613 R HA -0.078 4.262 4.340 0.001 0.000 0.231 613 R C 2.106 178.377 176.300 -0.049 0.000 1.119 613 R CA 1.715 57.794 56.100 -0.036 0.000 0.970 613 R CB -1.265 29.020 30.300 -0.025 0.000 0.864 613 R HN 0.458 nan 8.270 nan 0.000 0.440 614 I N -1.173 119.356 120.570 -0.067 0.000 2.353 614 I HA -0.061 4.110 4.170 0.001 0.000 0.248 614 I C 2.205 178.262 176.117 -0.100 0.000 1.119 614 I CA 1.329 62.586 61.300 -0.073 0.000 1.417 614 I CB -0.185 37.773 38.000 -0.070 0.000 1.078 614 I HN 0.237 nan 8.210 nan 0.000 0.421 615 L N 0.480 121.604 121.223 -0.165 0.000 2.012 615 L HA -0.189 4.152 4.340 0.001 0.000 0.210 615 L C 2.946 179.796 176.870 -0.033 0.000 1.073 615 L CA 1.915 56.610 54.840 -0.241 0.000 0.748 615 L CB -0.745 41.061 42.059 -0.421 0.000 0.891 615 L HN 0.302 nan 8.230 nan 0.000 0.431 616 R N 0.648 121.128 120.500 -0.034 0.000 2.080 616 R HA -0.240 4.100 4.340 0.001 0.000 0.236 616 R C 2.693 178.962 176.300 -0.051 0.000 1.137 616 R CA 2.490 58.574 56.100 -0.028 0.000 0.943 616 R CB -0.278 30.011 30.300 -0.018 0.000 0.846 616 R HN 0.271 nan 8.270 nan 0.000 0.431 617 K N 0.849 121.224 120.400 -0.041 0.000 2.009 617 K HA -0.127 4.194 4.320 0.001 0.000 0.210 617 K C 2.003 178.580 176.600 -0.039 0.000 1.049 617 K CA 1.886 58.151 56.287 -0.036 0.000 0.929 617 K CB -1.035 31.449 32.500 -0.027 0.000 0.714 617 K HN 0.319 nan 8.250 nan 0.000 0.440 618 I N 0.718 121.272 120.570 -0.026 0.000 2.163 618 I HA -0.259 3.911 4.170 0.001 0.000 0.243 618 I C 3.033 179.114 176.117 -0.061 0.000 1.085 618 I CA 1.268 62.570 61.300 0.003 0.000 1.347 618 I CB -0.433 37.604 38.000 0.062 0.000 1.044 618 I HN 0.426 nan 8.210 nan 0.000 0.408 619 A N 0.788 123.489 122.820 -0.198 0.000 1.986 619 A HA -0.166 4.154 4.320 0.001 0.000 0.220 619 A C 2.245 179.615 177.584 -0.356 0.000 1.171 619 A CA 1.827 53.460 52.037 -0.674 0.000 0.640 619 A CB -0.735 17.622 19.000 -1.072 0.000 0.811 619 A HN 0.469 nan 8.150 nan 0.000 0.451 620 A N -1.145 121.572 122.820 -0.173 0.000 2.265 620 A HA 0.422 4.743 4.320 0.001 0.000 0.213 620 A C 1.550 179.110 177.584 -0.040 0.000 1.255 620 A CA 0.953 52.941 52.037 -0.081 0.000 0.862 620 A CB -1.459 17.509 19.000 -0.053 0.000 0.852 620 A HN 1.961 nan 8.150 nan 0.000 0.484 621 G N -0.070 108.712 108.800 -0.031 0.000 2.272 621 G HA2 -0.217 3.743 3.960 0.001 0.000 0.280 621 G HA3 -0.217 3.743 3.960 0.001 0.000 0.280 621 G C -0.314 174.587 174.900 0.001 0.000 1.067 621 G CA 0.376 45.477 45.100 0.001 0.000 0.902 621 G HN 0.673 nan 8.290 nan 0.000 0.500 622 D N -0.728 119.670 120.400 -0.003 0.000 2.492 622 D HA 0.614 5.254 4.640 0.001 0.000 0.248 622 D C 0.923 177.225 176.300 0.004 0.000 1.101 622 D CA 0.191 54.189 54.000 -0.004 0.000 0.840 622 D CB 1.547 42.339 40.800 -0.014 0.000 1.209 622 D HN -0.002 nan 8.370 nan 0.000 0.524 623 T N 0.988 115.546 114.554 0.006 0.000 3.044 623 T HA 0.283 4.634 4.350 0.001 0.000 0.260 623 T C -0.194 174.511 174.700 0.008 0.000 1.019 623 T CA 0.422 62.529 62.100 0.012 0.000 0.921 623 T CB -0.111 68.766 68.868 0.015 0.000 1.053 623 T HN 0.469 nan 8.240 nan 0.000 0.533 634 D N 0.897 121.297 120.400 -0.000 0.000 2.472 634 D HA 0.599 5.240 4.640 0.001 0.000 0.234 634 D C -1.893 174.408 176.300 0.001 0.000 1.088 634 D CA -1.746 52.255 54.000 0.003 0.000 0.882 634 D CB 1.590 42.395 40.800 0.008 0.000 1.037 634 D HN 0.061 nan 8.370 nan 0.000 0.520 635 P HA 0.062 nan 4.420 nan 0.000 0.220 635 P C 1.341 178.643 177.300 0.002 0.000 1.148 635 P CA 0.489 63.588 63.100 -0.001 0.000 0.803 635 P CB 0.322 32.022 31.700 -0.000 0.000 0.782 636 G N 0.144 108.948 108.800 0.007 0.000 2.776 636 G HA2 -0.084 3.877 3.960 0.001 0.000 0.209 636 G HA3 -0.084 3.877 3.960 0.001 0.000 0.209 636 G C 1.436 176.346 174.900 0.018 0.000 1.145 636 G CA 0.563 45.670 45.100 0.013 0.000 0.791 636 G HN 0.327 nan 8.290 nan 0.000 0.530 637 V N -1.142 118.779 119.914 0.012 0.000 2.427 637 V HA -0.157 3.964 4.120 0.001 0.000 0.248 637 V C 2.613 178.716 176.094 0.015 0.000 1.051 637 V CA 1.519 63.828 62.300 0.014 0.000 1.048 637 V CB -0.910 30.913 31.823 -0.001 0.000 0.666 637 V HN 0.119 nan 8.190 nan 0.000 0.456 638 V N 1.364 121.279 119.914 0.002 0.000 2.252 638 V HA -0.277 3.843 4.120 0.001 0.000 0.249 638 V C 3.321 179.432 176.094 0.029 0.000 1.056 638 V CA 3.071 65.373 62.300 0.003 0.000 1.022 638 V CB -1.730 30.090 31.823 -0.004 0.000 0.641 638 V HN 0.768 nan 8.190 nan 0.000 0.445 639 E N 0.331 120.549 120.200 0.030 0.000 2.110 639 E HA -0.258 4.092 4.350 0.001 0.000 0.193 639 E C 2.289 178.924 176.600 0.059 0.000 0.988 639 E CA 2.219 58.643 56.400 0.039 0.000 0.804 639 E CB -0.820 28.898 29.700 0.030 0.000 0.745 639 E HN 0.757 nan 8.360 nan 0.000 0.458 640 K N 0.506 120.944 120.400 0.063 0.000 2.057 640 K HA 0.204 4.524 4.320 0.001 0.000 0.206 640 K C 2.382 179.064 176.600 0.136 0.000 1.050 640 K CA 1.180 57.519 56.287 0.086 0.000 0.935 640 K CB -0.803 31.743 32.500 0.077 0.000 0.715 640 K HN 0.436 nan 8.250 nan 0.000 0.439 641 L N 0.166 121.471 121.223 0.138 0.000 2.046 641 L HA -0.121 4.219 4.340 0.001 0.000 0.208 641 L C 2.784 179.803 176.870 0.248 0.000 1.077 641 L CA 1.122 56.090 54.840 0.214 0.000 0.747 641 L CB -0.471 41.650 42.059 0.103 0.000 0.896 641 L HN 0.279 nan 8.230 nan 0.000 0.432 642 L N -0.483 120.831 121.223 0.151 0.000 2.042 642 L HA -0.245 4.096 4.340 0.001 0.000 0.210 642 L C 2.594 179.536 176.870 0.120 0.000 1.076 642 L CA 1.419 56.335 54.840 0.127 0.000 0.749 642 L CB -0.407 41.699 42.059 0.077 0.000 0.893 642 L HN 0.309 nan 8.230 nan 0.000 0.432 643 E N -0.189 120.073 120.200 0.104 0.000 2.051 643 E HA -0.237 4.114 4.350 0.001 0.000 0.192 643 E C 2.088 178.738 176.600 0.083 0.000 0.991 643 E CA 1.311 57.759 56.400 0.081 0.000 0.799 643 E CB 0.009 29.750 29.700 0.068 0.000 0.748 643 E HN 0.499 nan 8.360 nan 0.000 0.449 644 E N 0.733 121.006 120.200 0.121 0.000 2.058 644 E HA -0.210 4.140 4.350 0.001 0.000 0.194 644 E C 2.091 178.666 176.600 -0.040 0.000 0.997 644 E CA 0.759 57.192 56.400 0.054 0.000 0.801 644 E CB 0.009 29.808 29.700 0.164 0.000 0.746 644 E HN -0.017 nan 8.360 nan 0.000 0.450 645 K N 0.762 121.252 120.400 0.151 0.000 2.020 645 K HA -0.281 4.040 4.320 0.001 0.000 0.212 645 K C 2.522 179.166 176.600 0.073 0.000 1.050 645 K CA 2.177 58.566 56.287 0.170 0.000 0.929 645 K CB -0.615 32.050 32.500 0.274 0.000 0.714 645 K HN 0.254 nan 8.250 nan 0.000 0.443 646 Q N 0.303 120.144 119.800 0.069 0.000 2.112 646 Q HA -0.063 4.277 4.340 0.001 0.000 0.206 646 Q C 1.452 177.462 176.000 0.018 0.000 0.987 646 Q CA 1.835 57.663 55.803 0.042 0.000 0.858 646 Q CB -0.827 27.935 28.738 0.040 0.000 0.905 646 Q HN 0.584 nan 8.270 nan 0.000 0.420 647 A N 0.000 122.822 122.820 0.004 0.000 2.254 647 A HA 0.000 4.320 4.320 0.001 0.000 0.244 647 A CA 0.000 52.031 52.037 -0.010 0.000 0.836 647 A CB 0.000 18.998 19.000 -0.004 0.000 0.831 647 A HN 0.000 nan 8.150 nan 0.000 0.486