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 1hkc_1_A DATA FIRST_RESID 16 DATA SEQUENCE DDQVKKIDKY LYAMRLSDET LIDIMTRFRK EMKNGLSRDF NPTATVKMLP DATA SEQUENCE TFVRSIPDGS EKGDFIALDL GGSSFRILRV QVNHEKNQNV HMESEVYDTP DATA SEQUENCE ENIVHGSGSQ LFDHVAECLG DFMEKRKIKD KKLPVGFTFS FPCQQSKIDE DATA SEQUENCE AILITWTKRF KASGVEGADV VKLLNKAIKK RGDYDANIVA VVNDTVGTMM DATA SEQUENCE TCGYDDQHCE VGLIIGTGTN ACYMEELRHI DLVEGDEGRM CINTEWGAFG DATA SEQUENCE DDGSLEDIRT EFDREIDRGS LNPGKQLFEK MVSGMYLGEL VRLILVKMAK DATA SEQUENCE EGLLFEGRIT PELLTRGKFN TSDVSAIEKN KEGLHNAKEI LTRLGVEPSD DATA SEQUENCE DDCVSVQHVC TIVSFRSANL VAATLGAILN RLRDNKGTPR LRTTVGVDGS DATA SEQUENCE LYKTHPQYSR RFHKTLRRLV PDSDVRFLLS ESGSGKGAAM VTAVAYRLAE DATA SEQUENCE QHRQIEETLA HFHLTKDMLL EVKKRMRAEM ELGLRKQTHN NAVVKMLPSF DATA SEQUENCE VRRTPDGTEN GDFLALDLGG TNFRVLLVKI RSGKKRTVEM HNKIYAIPIE DATA SEQUENCE IMQGTGEELF DHIVSCISDF LDYMGIKGPR MPLGFTFSFP CQQTSLDAGI DATA SEQUENCE LITWTKGFKA TDCVGHDVVT LLRDAIKRRE EFDLDVVAVV NDTVGTMMTC DATA SEQUENCE AYEEPTCEVG LIVGTGSNAC YMEEMKNVEM VEGDQGQMCI NMEWGAFGDN DATA SEQUENCE GCLDDIRTHY DRLVNEYSLN AGKQRYEKMI SGMYLGEIVR NILIDFTKKG DATA SEQUENCE FLFRGQISET LKTRGIFETK FLSQIESDRL ALLQVRAILQ QLGLNSTCDD DATA SEQUENCE SILVKTVCGV VSRRAAQLCG AGMAAVVDKI RENRGLDRLN VTVGVDGTLY DATA SEQUENCE KLHPHFSRIM HQTVKELSPK CNVSFLLSED GSGKGAALIT AVGVRLRTE 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 16 D HA 0.000 nan 4.640 nan 0.000 0.175 16 D C 0.000 176.258 176.300 -0.071 0.000 2.045 16 D CA 0.000 53.962 54.000 -0.063 0.000 0.868 16 D CB 0.000 40.775 40.800 -0.042 0.000 0.688 17 D N 0.753 121.123 120.400 -0.050 0.000 2.157 17 D HA -0.237 4.403 4.640 -0.000 0.000 0.191 17 D C 1.882 178.147 176.300 -0.059 0.000 1.004 17 D CA 1.957 55.930 54.000 -0.045 0.000 0.854 17 D CB 0.158 40.938 40.800 -0.034 0.000 0.936 17 D HN 0.100 nan 8.370 nan 0.000 0.446 18 Q N -0.039 119.721 119.800 -0.067 0.000 2.030 18 Q HA -0.107 4.233 4.340 -0.000 0.000 0.204 18 Q C 2.595 178.526 176.000 -0.114 0.000 0.986 18 Q CA 0.940 56.696 55.803 -0.079 0.000 0.843 18 Q CB -0.855 27.840 28.738 -0.072 0.000 0.904 18 Q HN 0.325 nan 8.270 nan 0.000 0.420 19 V N 1.398 121.204 119.914 -0.181 0.000 2.324 19 V HA -0.273 3.847 4.120 -0.000 0.000 0.250 19 V C 2.382 178.322 176.094 -0.257 0.000 1.060 19 V CA 1.996 64.066 62.300 -0.384 0.000 1.042 19 V CB -0.461 31.072 31.823 -0.485 0.000 0.650 19 V HN 0.246 nan 8.190 nan 0.000 0.450 20 K N 0.523 120.842 120.400 -0.134 0.000 2.147 20 K HA -0.129 4.191 4.320 -0.000 0.000 0.205 20 K C 2.015 178.611 176.600 -0.007 0.000 1.049 20 K CA 1.458 57.712 56.287 -0.054 0.000 0.936 20 K CB -0.291 32.186 32.500 -0.038 0.000 0.722 20 K HN 0.410 nan 8.250 nan 0.000 0.446 21 K N -0.113 120.275 120.400 -0.019 0.000 2.288 21 K HA 0.001 4.320 4.320 -0.000 0.000 0.201 21 K C 1.653 178.287 176.600 0.057 0.000 1.048 21 K CA 0.774 57.068 56.287 0.012 0.000 0.956 21 K CB 0.034 32.519 32.500 -0.025 0.000 0.746 21 K HN 0.122 nan 8.250 nan 0.000 0.461 22 I N 1.201 121.804 120.570 0.055 0.000 2.400 22 I HA -0.154 4.016 4.170 -0.000 0.000 0.248 22 I C 1.514 177.766 176.117 0.225 0.000 1.109 22 I CA 1.113 62.496 61.300 0.139 0.000 1.425 22 I CB -0.800 37.316 38.000 0.194 0.000 1.094 22 I HN 0.078 nan 8.210 nan 0.000 0.425 23 D N 1.785 122.306 120.400 0.203 0.000 2.133 23 D HA -0.193 4.447 4.640 -0.000 0.000 0.195 23 D C 2.159 178.575 176.300 0.194 0.000 0.997 23 D CA 1.388 55.510 54.000 0.203 0.000 0.840 23 D CB -0.016 40.877 40.800 0.155 0.000 0.947 23 D HN 0.398 nan 8.370 nan 0.000 0.452 24 K N -0.742 119.764 120.400 0.177 0.000 2.116 24 K HA -0.113 4.207 4.320 -0.000 0.000 0.203 24 K C 2.186 178.949 176.600 0.271 0.000 1.052 24 K CA 0.450 56.846 56.287 0.182 0.000 0.952 24 K CB -0.234 32.329 32.500 0.105 0.000 0.729 24 K HN 0.180 nan 8.250 nan 0.000 0.446 25 Y N 1.535 121.915 120.300 0.133 0.000 2.181 25 Y HA -0.084 4.466 4.550 -0.000 0.000 0.288 25 Y C 1.306 177.303 175.900 0.162 0.000 1.146 25 Y CA 1.281 59.464 58.100 0.138 0.000 1.164 25 Y CB 0.193 38.702 38.460 0.082 0.000 0.982 25 Y HN -0.101 nan 8.280 nan 0.000 0.515 26 L N 0.756 122.141 121.223 0.270 0.000 2.928 26 L HA 0.057 4.397 4.340 -0.000 0.000 0.246 26 L C 1.269 178.155 176.870 0.028 0.000 1.239 26 L CA -0.264 54.647 54.840 0.118 0.000 1.035 26 L CB -0.698 41.429 42.059 0.113 0.000 1.360 26 L HN 0.384 nan 8.230 nan 0.000 0.529 27 Y N 0.302 120.622 120.300 0.033 0.000 2.193 27 Y HA -0.271 4.279 4.550 -0.000 0.000 0.285 27 Y C 2.234 178.131 175.900 -0.005 0.000 1.166 27 Y CA 1.347 59.453 58.100 0.011 0.000 1.181 27 Y CB -0.552 37.908 38.460 -0.000 0.000 0.976 27 Y HN 0.141 nan 8.280 nan 0.000 0.520 28 A N 0.793 122.955 122.820 -1.096 0.000 2.172 28 A HA 0.004 4.324 4.320 -0.000 0.000 0.216 28 A C 2.015 179.408 177.584 -0.318 0.000 1.154 28 A CA 1.377 52.924 52.037 -0.817 0.000 0.701 28 A CB -0.763 17.744 19.000 -0.821 0.000 0.789 28 A HN 0.665 nan 8.150 nan 0.000 0.465 29 M N -0.584 118.893 119.600 -0.204 0.000 2.428 29 M HA 0.109 4.589 4.480 -0.000 0.000 0.239 29 M C -0.125 176.118 176.300 -0.095 0.000 1.121 29 M CA 0.225 55.458 55.300 -0.112 0.000 1.019 29 M CB 0.267 32.824 32.600 -0.073 0.000 1.485 29 M HN 0.201 nan 8.290 nan 0.000 0.484 30 R N 1.939 122.383 120.500 -0.092 0.000 2.346 30 R HA 0.489 4.829 4.340 -0.000 0.000 0.309 30 R C -0.830 175.425 176.300 -0.075 0.000 1.119 30 R CA -0.273 55.775 56.100 -0.086 0.000 1.112 30 R CB 0.574 30.847 30.300 -0.044 0.000 1.132 30 R HN 0.235 nan 8.270 nan 0.000 0.538 31 L N 2.142 123.312 121.223 -0.089 0.000 2.380 31 L HA 0.191 4.531 4.340 -0.000 0.000 0.273 31 L C 1.021 177.851 176.870 -0.066 0.000 1.138 31 L CA -0.274 54.529 54.840 -0.062 0.000 0.832 31 L CB 0.949 42.978 42.059 -0.049 0.000 1.124 31 L HN 0.563 nan 8.230 nan 0.000 0.454 32 S N 0.091 115.769 115.700 -0.037 0.000 2.632 32 S HA 0.179 4.649 4.470 -0.000 0.000 0.271 32 S C 0.468 175.052 174.600 -0.028 0.000 1.260 32 S CA -0.823 57.357 58.200 -0.034 0.000 1.010 32 S CB 1.623 64.814 63.200 -0.014 0.000 0.965 32 S HN 0.581 nan 8.310 nan 0.000 0.534 33 D N 1.188 121.572 120.400 -0.027 0.000 2.144 33 D HA -0.066 4.573 4.640 -0.000 0.000 0.199 33 D C 1.698 177.995 176.300 -0.005 0.000 0.984 33 D CA 1.438 55.428 54.000 -0.016 0.000 0.834 33 D CB -0.346 40.445 40.800 -0.015 0.000 0.955 33 D HN 0.722 nan 8.370 nan 0.000 0.465 34 E N -0.121 120.077 120.200 -0.005 0.000 2.058 34 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 34 E C 2.146 178.750 176.600 0.006 0.000 0.997 34 E CA 1.522 57.923 56.400 0.001 0.000 0.801 34 E CB -0.525 29.176 29.700 0.001 0.000 0.746 34 E HN 0.224 nan 8.360 nan 0.000 0.450 35 T N 0.982 115.538 114.554 0.004 0.000 2.708 35 T HA -0.085 4.265 4.350 -0.000 0.000 0.266 35 T C 1.915 176.626 174.700 0.018 0.000 1.037 35 T CA 0.916 63.021 62.100 0.008 0.000 1.146 35 T CB -0.296 68.573 68.868 0.001 0.000 0.865 35 T HN 0.050 nan 8.240 nan 0.000 0.435 36 L N 0.255 121.486 121.223 0.013 0.000 2.012 36 L HA -0.085 4.255 4.340 -0.000 0.000 0.210 36 L C 2.525 179.415 176.870 0.034 0.000 1.073 36 L CA 1.400 56.256 54.840 0.025 0.000 0.748 36 L CB -0.653 41.415 42.059 0.015 0.000 0.891 36 L HN 0.259 nan 8.230 nan 0.000 0.431 37 I N -0.015 120.569 120.570 0.023 0.000 2.264 37 I HA -0.321 3.849 4.170 -0.000 0.000 0.248 37 I C 2.324 178.461 176.117 0.034 0.000 1.111 37 I CA 1.434 62.749 61.300 0.025 0.000 1.382 37 I CB -0.358 37.651 38.000 0.015 0.000 1.060 37 I HN 0.337 nan 8.210 nan 0.000 0.418 38 D N 1.454 121.874 120.400 0.033 0.000 2.092 38 D HA -0.194 4.446 4.640 -0.000 0.000 0.193 38 D C 2.159 178.501 176.300 0.070 0.000 0.994 38 D CA 1.675 55.699 54.000 0.040 0.000 0.828 38 D CB -0.136 40.682 40.800 0.031 0.000 0.963 38 D HN 0.312 nan 8.370 nan 0.000 0.450 39 I N 0.206 120.827 120.570 0.084 0.000 2.264 39 I HA -0.257 3.913 4.170 -0.000 0.000 0.248 39 I C 2.678 178.893 176.117 0.163 0.000 1.111 39 I CA 0.871 62.261 61.300 0.150 0.000 1.382 39 I CB -0.419 37.663 38.000 0.138 0.000 1.060 39 I HN 0.196 nan 8.210 nan 0.000 0.418 40 M N 0.516 120.173 119.600 0.094 0.000 2.108 40 M HA -0.223 4.257 4.480 -0.000 0.000 0.261 40 M C 2.261 178.608 176.300 0.077 0.000 1.066 40 M CA 2.042 57.388 55.300 0.075 0.000 1.107 40 M CB -0.200 32.429 32.600 0.048 0.000 1.356 40 M HN 0.174 nan 8.290 nan 0.000 0.406 41 T N 0.252 114.841 114.554 0.058 0.000 2.821 41 T HA -0.093 4.256 4.350 -0.000 0.000 0.267 41 T C 1.716 176.435 174.700 0.031 0.000 1.046 41 T CA 1.275 63.393 62.100 0.030 0.000 1.139 41 T CB -0.271 68.610 68.868 0.021 0.000 0.871 41 T HN 0.473 nan 8.240 nan 0.000 0.454 42 R N -0.021 120.536 120.500 0.094 0.000 2.081 42 R HA -0.018 4.321 4.340 -0.000 0.000 0.235 42 R C 2.160 178.495 176.300 0.058 0.000 1.131 42 R CA 1.231 57.410 56.100 0.132 0.000 0.960 42 R CB -0.473 29.994 30.300 0.278 0.000 0.856 42 R HN 0.317 nan 8.270 nan 0.000 0.436 43 F N 1.714 121.549 119.950 -0.192 0.000 2.186 43 F HA -0.087 4.439 4.527 -0.000 0.000 0.299 43 F C 2.312 177.926 175.800 -0.311 0.000 1.090 43 F CA 1.257 58.925 58.000 -0.552 0.000 1.307 43 F CB -0.036 38.541 39.000 -0.705 0.000 1.019 43 F HN -0.178 nan 8.300 nan 0.000 0.489 44 R N 0.287 120.662 120.500 -0.208 0.000 2.105 44 R HA -0.194 4.146 4.340 -0.000 0.000 0.239 44 R C 2.407 178.538 176.300 -0.280 0.000 1.135 44 R CA 1.445 57.405 56.100 -0.234 0.000 0.967 44 R CB -0.470 29.765 30.300 -0.109 0.000 0.861 44 R HN 0.227 nan 8.270 nan 0.000 0.442 45 K N 0.884 121.150 120.400 -0.223 0.000 2.103 45 K HA -0.129 4.191 4.320 -0.000 0.000 0.204 45 K C 1.505 177.950 176.600 -0.259 0.000 1.052 45 K CA 1.172 57.336 56.287 -0.204 0.000 0.945 45 K CB 0.220 32.641 32.500 -0.132 0.000 0.722 45 K HN 0.048 nan 8.250 nan 0.000 0.443 46 E N 0.496 120.493 120.200 -0.339 0.000 2.204 46 E HA -0.108 4.241 4.350 -0.000 0.000 0.194 46 E C 1.992 178.340 176.600 -0.420 0.000 0.989 46 E CA 0.795 56.986 56.400 -0.347 0.000 0.824 46 E CB -0.114 29.338 29.700 -0.414 0.000 0.756 46 E HN 0.401 nan 8.360 nan 0.000 0.477 47 M N 0.337 119.593 119.600 -0.573 0.000 2.156 47 M HA -0.114 4.366 4.480 -0.000 0.000 0.264 47 M C 2.370 178.534 176.300 -0.228 0.000 1.067 47 M CA 1.164 56.202 55.300 -0.437 0.000 1.131 47 M CB -0.134 32.172 32.600 -0.490 0.000 1.368 47 M HN -0.057 nan 8.290 nan 0.000 0.416 48 K N 0.577 120.844 120.400 -0.222 0.000 2.002 48 K HA -0.196 4.124 4.320 -0.000 0.000 0.209 48 K C 1.534 178.059 176.600 -0.125 0.000 1.048 48 K CA 1.754 57.948 56.287 -0.156 0.000 0.930 48 K CB -0.119 32.276 32.500 -0.175 0.000 0.714 48 K HN 0.228 nan 8.250 nan 0.000 0.438 49 N N 0.493 119.092 118.700 -0.169 0.000 2.104 49 N HA -0.132 4.608 4.740 -0.000 0.000 0.190 49 N C 1.860 177.383 175.510 0.021 0.000 1.024 49 N CA 1.572 54.562 53.050 -0.099 0.000 0.853 49 N CB -0.884 37.532 38.487 -0.119 0.000 1.008 49 N HN 0.459 nan 8.380 nan 0.000 0.424 50 G N 0.609 109.393 108.800 -0.028 0.000 2.432 50 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.219 50 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.219 50 G C 1.624 176.533 174.900 0.014 0.000 1.135 50 G CA 0.285 45.386 45.100 0.002 0.000 0.767 50 G HN 0.240 nan 8.290 nan 0.000 0.550 51 L N 0.931 122.156 121.223 0.002 0.000 2.131 51 L HA 0.090 4.430 4.340 -0.000 0.000 0.206 51 L C 2.008 178.905 176.870 0.046 0.000 1.087 51 L CA 0.407 55.258 54.840 0.018 0.000 0.767 51 L CB -0.275 41.795 42.059 0.018 0.000 0.917 51 L HN 0.320 nan 8.230 nan 0.000 0.441 52 S N 0.595 116.337 115.700 0.070 0.000 2.549 52 S HA -0.013 4.457 4.470 -0.000 0.000 0.283 52 S C 1.317 175.989 174.600 0.120 0.000 1.320 52 S CA -0.573 57.699 58.200 0.119 0.000 1.058 52 S CB 0.964 64.285 63.200 0.201 0.000 0.882 52 S HN 0.418 nan 8.310 nan 0.000 0.498 53 R N 1.997 122.548 120.500 0.084 0.000 2.235 53 R HA 0.027 4.367 4.340 -0.000 0.000 0.213 53 R C 0.526 176.837 176.300 0.020 0.000 1.059 53 R CA 1.088 57.215 56.100 0.046 0.000 0.997 53 R CB -0.306 30.010 30.300 0.026 0.000 0.884 53 R HN 0.539 nan 8.270 nan 0.000 0.462 54 D N 0.377 120.798 120.400 0.037 0.000 2.162 54 D HA -0.018 4.621 4.640 -0.000 0.000 0.205 54 D C 0.960 177.064 176.300 -0.327 0.000 0.964 54 D CA 1.029 54.937 54.000 -0.153 0.000 0.847 54 D CB 0.044 40.727 40.800 -0.195 0.000 0.988 54 D HN 0.268 nan 8.370 nan 0.000 0.480 55 F N 0.332 120.282 119.950 -0.001 0.000 2.721 55 F HA 0.173 4.700 4.527 -0.000 0.000 0.301 55 F C 1.887 177.686 175.800 -0.001 0.000 1.096 55 F CA -0.276 57.723 58.000 -0.001 0.000 1.308 55 F CB -0.410 38.586 39.000 -0.006 0.000 1.086 55 F HN -0.093 nan 8.300 nan 0.000 0.587 56 N N 1.979 120.767 118.700 0.146 0.000 2.094 56 N HA -0.176 4.564 4.740 -0.000 0.000 0.191 56 N C -0.842 174.704 175.510 0.060 0.000 1.023 56 N CA 1.694 54.796 53.050 0.087 0.000 0.857 56 N CB -0.962 37.558 38.487 0.056 0.000 1.013 56 N HN 0.115 nan 8.380 nan 0.000 0.426 57 P HA -0.112 nan 4.420 nan 0.000 0.217 57 P C 0.801 178.120 177.300 0.032 0.000 1.151 57 P CA 1.923 65.033 63.100 0.018 0.000 0.849 57 P CB -0.298 31.395 31.700 -0.012 0.000 0.787 58 T N -5.137 109.447 114.554 0.050 0.000 3.296 58 T HA 0.624 4.974 4.350 -0.000 0.000 0.285 58 T C 0.303 175.056 174.700 0.088 0.000 1.014 58 T CA -0.588 61.550 62.100 0.062 0.000 0.920 58 T CB -0.417 68.485 68.868 0.057 0.000 1.143 58 T HN 0.025 nan 8.240 nan 0.000 0.522 59 A N 1.245 124.119 122.820 0.090 0.000 2.309 59 A HA 0.603 4.923 4.320 -0.000 0.000 0.298 59 A C 1.524 179.158 177.584 0.083 0.000 1.165 59 A CA -0.178 51.912 52.037 0.089 0.000 0.821 59 A CB 0.777 19.824 19.000 0.078 0.000 1.102 59 A HN 0.505 nan 8.150 nan 0.000 0.500 60 T N -0.632 113.980 114.554 0.097 0.000 3.014 60 T HA 0.052 4.402 4.350 -0.000 0.000 0.263 60 T C 0.416 175.200 174.700 0.140 0.000 1.078 60 T CA 0.883 63.057 62.100 0.124 0.000 1.135 60 T CB -0.304 68.655 68.868 0.153 0.000 0.895 60 T HN 0.287 nan 8.240 nan 0.000 0.480 61 V N 2.878 122.856 119.914 0.107 0.000 2.304 61 V HA 0.274 4.394 4.120 -0.000 0.000 0.262 61 V C 1.024 177.152 176.094 0.057 0.000 1.061 61 V CA -0.803 61.558 62.300 0.101 0.000 0.872 61 V CB 0.645 32.463 31.823 -0.008 0.000 1.077 61 V HN 0.393 nan 8.190 nan 0.000 0.480 62 K N 3.763 124.210 120.400 0.077 0.000 2.211 62 K HA -0.048 4.272 4.320 -0.000 0.000 0.204 62 K C 0.845 177.461 176.600 0.026 0.000 1.047 62 K CA 0.795 57.113 56.287 0.051 0.000 0.935 62 K CB -0.139 32.394 32.500 0.055 0.000 0.728 62 K HN 0.574 nan 8.250 nan 0.000 0.452 63 M N 0.458 120.076 119.600 0.029 0.000 2.259 63 M HA -0.199 4.281 4.480 -0.000 0.000 0.188 63 M C -0.981 175.303 176.300 -0.028 0.000 0.665 63 M CA 0.817 56.124 55.300 0.012 0.000 0.464 63 M CB -2.278 30.326 32.600 0.007 0.000 1.063 63 M HN 0.118 nan 8.290 nan 0.000 0.912 64 L N 2.726 123.928 121.223 -0.034 0.000 2.380 64 L HA 0.345 4.685 4.340 -0.000 0.000 0.273 64 L C -1.415 175.370 176.870 -0.142 0.000 1.138 64 L CA -1.539 53.261 54.840 -0.067 0.000 0.832 64 L CB 0.229 42.266 42.059 -0.037 0.000 1.124 64 L HN 0.140 nan 8.230 nan 0.000 0.454 65 P HA 0.095 nan 4.420 nan 0.000 0.281 65 P C 0.248 177.295 177.300 -0.423 0.000 1.252 65 P CA -0.402 62.447 63.100 -0.417 0.000 0.778 65 P CB 1.148 32.473 31.700 -0.625 0.000 0.895 66 T N -1.228 113.112 114.554 -0.356 0.000 3.044 66 T HA 0.132 4.481 4.350 -0.000 0.000 0.250 66 T C 0.493 175.158 174.700 -0.059 0.000 1.081 66 T CA -0.133 61.867 62.100 -0.167 0.000 1.040 66 T CB -0.779 68.020 68.868 -0.116 0.000 0.962 66 T HN 0.187 nan 8.240 nan 0.000 0.506 67 F N 0.285 120.199 119.950 -0.059 0.000 3.058 67 F HA -0.136 4.391 4.527 -0.000 0.000 0.295 67 F C -0.214 175.555 175.800 -0.053 0.000 0.875 67 F CA -0.257 57.711 58.000 -0.054 0.000 1.150 67 F CB -2.164 36.806 39.000 -0.051 0.000 1.175 67 F HN 0.122 nan 8.300 nan 0.000 0.599 68 V N 0.722 120.642 119.914 0.010 0.000 2.349 68 V HA 0.330 4.450 4.120 -0.000 0.000 0.284 68 V C 0.985 177.061 176.094 -0.029 0.000 1.014 68 V CA -0.540 61.760 62.300 -0.000 0.000 0.826 68 V CB 1.771 33.580 31.823 -0.024 0.000 1.009 68 V HN 0.253 nan 8.190 nan 0.000 0.431 69 R N 2.393 122.890 120.500 -0.006 0.000 2.334 69 R HA 0.320 4.660 4.340 -0.000 0.000 0.216 69 R C 0.549 176.839 176.300 -0.017 0.000 0.905 69 R CA 0.330 56.419 56.100 -0.017 0.000 1.064 69 R CB 0.672 30.974 30.300 0.003 0.000 1.046 69 R HN 0.624 nan 8.270 nan 0.000 0.508 70 S N -0.019 115.673 115.700 -0.012 0.000 2.578 70 S HA 0.348 4.818 4.470 -0.000 0.000 0.272 70 S C -0.805 173.795 174.600 0.000 0.000 1.145 70 S CA -1.169 57.026 58.200 -0.008 0.000 0.835 70 S CB 0.709 63.908 63.200 -0.001 0.000 1.104 70 S HN 0.222 nan 8.310 nan 0.000 0.458 71 I N -0.070 120.501 120.570 0.003 0.000 2.834 71 I HA 0.612 4.782 4.170 -0.000 0.000 0.305 71 I C -2.498 173.642 176.117 0.038 0.000 1.008 71 I CA -2.748 58.564 61.300 0.020 0.000 1.273 71 I CB 0.027 38.038 38.000 0.018 0.000 1.432 71 I HN 0.349 nan 8.210 nan 0.000 0.557 72 P HA -0.054 nan 4.420 nan 0.000 0.259 72 P C -0.712 176.621 177.300 0.055 0.000 1.163 72 P CA 0.445 63.620 63.100 0.125 0.000 0.760 72 P CB 0.182 32.071 31.700 0.314 0.000 0.762 73 D N 1.937 122.366 120.400 0.048 0.000 2.340 73 D HA 0.152 4.792 4.640 -0.000 0.000 0.217 73 D C 1.470 177.770 176.300 -0.001 0.000 1.081 73 D CA 0.254 54.259 54.000 0.009 0.000 0.842 73 D CB -0.247 40.564 40.800 0.019 0.000 0.934 73 D HN 0.502 nan 8.370 nan 0.000 0.511 74 G N 0.928 109.739 108.800 0.018 0.000 2.454 74 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.225 74 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.225 74 G C 1.327 176.292 174.900 0.107 0.000 1.138 74 G CA 0.655 45.765 45.100 0.015 0.000 0.667 74 G HN 0.801 nan 8.290 nan 0.000 0.512 75 S N 1.151 116.903 115.700 0.088 0.000 2.571 75 S HA 0.128 4.598 4.470 -0.000 0.000 0.245 75 S C 0.672 175.351 174.600 0.131 0.000 0.976 75 S CA 1.657 59.916 58.200 0.099 0.000 0.954 75 S CB -0.139 63.107 63.200 0.078 0.000 0.756 75 S HN 0.660 nan 8.310 nan 0.000 0.535 76 E N 1.805 122.108 120.200 0.172 0.000 2.324 76 E HA 0.500 4.850 4.350 -0.000 0.000 0.271 76 E C -0.270 176.460 176.600 0.217 0.000 1.028 76 E CA 0.110 56.632 56.400 0.203 0.000 0.890 76 E CB 0.766 30.603 29.700 0.228 0.000 1.004 76 E HN 0.580 nan 8.360 nan 0.000 0.431 77 K N 1.356 121.881 120.400 0.209 0.000 2.542 77 K HA 0.748 5.068 4.320 -0.000 0.000 0.259 77 K C -0.625 176.037 176.600 0.104 0.000 0.932 77 K CA -0.318 56.059 56.287 0.151 0.000 0.820 77 K CB 1.704 34.254 32.500 0.083 0.000 1.345 77 K HN 0.562 nan 8.250 nan 0.000 0.432 78 G N 1.409 110.167 108.800 -0.071 0.000 2.343 78 G HA2 0.277 4.237 3.960 -0.000 0.000 0.289 78 G HA3 0.277 4.237 3.960 -0.000 0.000 0.289 78 G C -2.098 172.330 174.900 -0.788 0.000 1.295 78 G CA -0.409 44.418 45.100 -0.455 0.000 0.869 78 G HN 0.673 nan 8.290 nan 0.000 0.522 79 D N -0.452 119.261 120.400 -1.146 0.000 2.736 79 D HA 0.706 5.346 4.640 -0.000 0.000 0.243 79 D C -0.905 174.886 176.300 -0.850 0.000 1.304 79 D CA -0.347 53.189 54.000 -0.773 0.000 0.934 79 D CB 0.939 41.538 40.800 -0.334 0.000 1.382 79 D HN 0.434 nan 8.370 nan 0.000 0.571 80 F N 2.056 121.985 119.950 -0.035 0.000 2.715 80 F HA 0.597 5.124 4.527 -0.000 0.000 0.318 80 F C -0.370 175.422 175.800 -0.012 0.000 1.141 80 F CA -1.283 56.686 58.000 -0.052 0.000 0.950 80 F CB 0.424 39.375 39.000 -0.082 0.000 1.374 80 F HN 0.004 nan 8.300 nan 0.000 0.477 81 I N 1.137 121.835 120.570 0.213 0.000 2.924 81 I HA 0.821 4.991 4.170 -0.000 0.000 0.316 81 I C -0.249 175.885 176.117 0.028 0.000 1.014 81 I CA -1.241 60.116 61.300 0.095 0.000 1.106 81 I CB 1.252 39.276 38.000 0.041 0.000 1.311 81 I HN 0.825 nan 8.210 nan 0.000 0.502 82 A N 3.525 126.308 122.820 -0.062 0.000 2.488 82 A HA 0.703 5.022 4.320 -0.000 0.000 0.295 82 A C -1.529 175.999 177.584 -0.093 0.000 1.045 82 A CA -0.389 51.619 52.037 -0.048 0.000 0.703 82 A CB 1.213 20.195 19.000 -0.030 0.000 1.271 82 A HN 0.402 nan 8.150 nan 0.000 0.400 83 L N 1.696 122.917 121.223 -0.003 0.000 2.331 83 L HA 0.701 5.041 4.340 -0.000 0.000 0.275 83 L C -0.396 176.631 176.870 0.262 0.000 1.022 83 L CA -0.128 54.734 54.840 0.038 0.000 0.812 83 L CB 1.638 43.625 42.059 -0.121 0.000 1.257 83 L HN 0.713 nan 8.230 nan 0.000 0.435 84 D N 2.538 123.120 120.400 0.304 0.000 2.402 84 D HA 0.408 5.048 4.640 -0.000 0.000 0.252 84 D C -1.747 174.849 176.300 0.494 0.000 1.294 84 D CA -0.250 53.951 54.000 0.335 0.000 0.948 84 D CB 1.142 42.036 40.800 0.157 0.000 1.202 84 D HN 0.324 nan 8.370 nan 0.000 0.561 85 L N 2.812 124.356 121.223 0.534 0.000 2.386 85 L HA 0.818 5.158 4.340 -0.000 0.000 0.271 85 L C 0.877 177.815 176.870 0.113 0.000 0.993 85 L CA 0.402 55.497 54.840 0.426 0.000 0.819 85 L CB 1.948 44.276 42.059 0.448 0.000 1.294 85 L HN 0.553 nan 8.230 nan 0.000 0.414 86 G N 2.281 111.045 108.800 -0.061 0.000 2.260 86 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.179 86 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.179 86 G C 0.248 174.967 174.900 -0.302 0.000 1.002 86 G CA -0.084 44.701 45.100 -0.525 0.000 0.677 86 G HN 1.157 nan 8.290 nan 0.000 0.486 87 G N 0.428 109.185 108.800 -0.071 0.000 2.782 87 G HA2 0.592 4.552 3.960 -0.000 0.000 0.201 87 G HA3 0.592 4.552 3.960 -0.000 0.000 0.201 87 G C 1.542 176.477 174.900 0.058 0.000 1.374 87 G CA 1.130 46.208 45.100 -0.037 0.000 1.039 87 G HN 1.018 nan 8.290 nan 0.000 0.576 88 S N -0.876 114.844 115.700 0.034 0.000 2.368 88 S HA 0.012 4.482 4.470 -0.000 0.000 0.225 88 S C 1.243 175.894 174.600 0.086 0.000 1.030 88 S CA 1.295 59.520 58.200 0.043 0.000 0.999 88 S CB -0.488 62.719 63.200 0.012 0.000 0.844 88 S HN 1.402 nan 8.310 nan 0.000 0.459 89 S N 0.032 115.797 115.700 0.108 0.000 2.564 89 S HA 0.643 5.113 4.470 -0.000 0.000 0.274 89 S C -1.149 173.596 174.600 0.242 0.000 1.124 89 S CA -0.982 57.311 58.200 0.155 0.000 0.869 89 S CB 1.319 64.575 63.200 0.093 0.000 1.105 89 S HN 0.242 nan 8.310 nan 0.000 0.472 90 F N 4.482 124.506 119.950 0.124 0.000 2.375 90 F HA 0.569 5.096 4.527 -0.000 0.000 0.362 90 F C 0.308 176.189 175.800 0.136 0.000 1.129 90 F CA -0.981 57.102 58.000 0.138 0.000 1.154 90 F CB 0.355 39.449 39.000 0.157 0.000 1.205 90 F HN 0.861 nan 8.300 nan 0.000 0.513 91 R N 6.290 126.706 120.500 -0.139 0.000 2.873 91 R HA 0.820 5.160 4.340 -0.000 0.000 0.264 91 R C -1.662 174.407 176.300 -0.386 0.000 1.026 91 R CA -0.975 54.974 56.100 -0.252 0.000 1.002 91 R CB 1.967 32.213 30.300 -0.090 0.000 1.174 91 R HN 0.583 nan 8.270 nan 0.000 0.488 92 I N 2.719 123.076 120.570 -0.356 0.000 2.447 92 I HA 0.310 4.480 4.170 -0.000 0.000 0.287 92 I C -1.166 174.631 176.117 -0.533 0.000 1.023 92 I CA -1.203 59.765 61.300 -0.554 0.000 1.083 92 I CB 1.772 39.247 38.000 -0.874 0.000 1.245 92 I HN 0.413 nan 8.210 nan 0.000 0.434 93 L N 6.027 127.025 121.223 -0.375 0.000 2.333 93 L HA 0.606 4.946 4.340 -0.000 0.000 0.269 93 L C 0.076 176.918 176.870 -0.048 0.000 1.010 93 L CA -0.600 54.155 54.840 -0.141 0.000 0.818 93 L CB 1.243 43.268 42.059 -0.056 0.000 1.306 93 L HN 0.476 nan 8.230 nan 0.000 0.430 94 R N 1.455 122.064 120.500 0.181 0.000 2.358 94 R HA 0.626 4.966 4.340 -0.000 0.000 0.309 94 R C -1.612 174.786 176.300 0.163 0.000 1.026 94 R CA -0.390 55.853 56.100 0.238 0.000 0.909 94 R CB 1.184 31.707 30.300 0.372 0.000 1.153 94 R HN 0.545 nan 8.270 nan 0.000 0.515 95 V N 3.781 123.793 119.914 0.162 0.000 2.539 95 V HA 0.279 4.399 4.120 -0.000 0.000 0.292 95 V C -0.040 176.175 176.094 0.202 0.000 1.045 95 V CA -0.520 61.873 62.300 0.155 0.000 0.945 95 V CB 1.665 33.568 31.823 0.133 0.000 0.993 95 V HN 0.673 nan 8.190 nan 0.000 0.464 96 Q N 2.758 122.648 119.800 0.150 0.000 2.397 96 Q HA 0.492 4.832 4.340 -0.000 0.000 0.260 96 Q C -1.616 174.449 176.000 0.108 0.000 1.002 96 Q CA -0.309 55.552 55.803 0.097 0.000 0.716 96 Q CB 1.824 30.623 28.738 0.102 0.000 1.258 96 Q HN 0.650 nan 8.270 nan 0.000 0.477 97 V N 5.030 125.021 119.914 0.128 0.000 2.318 97 V HA 0.401 4.521 4.120 -0.000 0.000 0.271 97 V C -0.092 176.072 176.094 0.117 0.000 1.030 97 V CA -0.679 61.702 62.300 0.135 0.000 0.844 97 V CB 0.391 32.324 31.823 0.184 0.000 1.015 97 V HN 0.747 nan 8.190 nan 0.000 0.460 98 N N 2.323 121.102 118.700 0.132 0.000 2.890 98 N HA 0.387 5.127 4.740 -0.000 0.000 0.317 98 N C -0.523 175.132 175.510 0.242 0.000 1.355 98 N CA -0.855 52.290 53.050 0.158 0.000 0.803 98 N CB 0.718 39.302 38.487 0.162 0.000 1.465 98 N HN 0.625 nan 8.380 nan 0.000 0.591 99 H N -1.258 117.847 119.070 0.059 0.000 2.620 99 H HA 0.556 5.112 4.556 -0.000 0.000 0.313 99 H C -0.868 174.490 175.328 0.051 0.000 1.075 99 H CA -0.235 55.849 56.048 0.059 0.000 1.397 99 H CB 0.397 30.188 29.762 0.048 0.000 1.446 99 H HN 0.579 nan 8.280 nan 0.000 0.493 100 E N 2.436 122.636 120.200 0.001 0.000 2.458 100 E HA 0.281 4.631 4.350 -0.000 0.000 0.278 100 E C -0.683 175.896 176.600 -0.036 0.000 1.004 100 E CA -1.155 55.203 56.400 -0.070 0.000 0.823 100 E CB 1.870 31.571 29.700 0.002 0.000 1.396 100 E HN 0.507 nan 8.360 nan 0.000 0.463 101 K N 1.412 121.789 120.400 -0.039 0.000 2.535 101 K HA 0.209 4.529 4.320 -0.000 0.000 0.242 101 K C -0.193 176.409 176.600 0.003 0.000 1.210 101 K CA 0.024 56.301 56.287 -0.017 0.000 1.178 101 K CB -0.574 31.911 32.500 -0.025 0.000 1.778 101 K HN 0.625 nan 8.250 nan 0.000 0.372 102 N N 1.634 120.344 118.700 0.017 0.000 2.815 102 N HA -0.192 4.548 4.740 -0.000 0.000 0.249 102 N C -0.953 174.580 175.510 0.037 0.000 1.114 102 N CA 0.306 53.372 53.050 0.026 0.000 0.717 102 N CB -0.133 38.365 38.487 0.017 0.000 1.074 102 N HN 0.510 nan 8.380 nan 0.000 0.555 103 Q N 0.151 119.979 119.800 0.045 0.000 2.348 103 Q HA 0.360 4.700 4.340 -0.000 0.000 0.271 103 Q C -0.199 175.852 176.000 0.086 0.000 1.067 103 Q CA -0.689 55.147 55.803 0.055 0.000 0.839 103 Q CB 1.281 30.041 28.738 0.038 0.000 1.354 103 Q HN 0.280 nan 8.270 nan 0.000 0.447 104 N N -0.489 118.266 118.700 0.091 0.000 2.178 104 N HA 0.042 4.782 4.740 -0.000 0.000 0.222 104 N C -0.771 174.811 175.510 0.120 0.000 1.350 104 N CA -0.117 53.001 53.050 0.114 0.000 0.874 104 N CB 0.412 38.955 38.487 0.093 0.000 1.086 104 N HN 0.139 nan 8.380 nan 0.000 0.452 105 V N -0.167 119.811 119.914 0.108 0.000 2.581 105 V HA 0.167 4.286 4.120 -0.000 0.000 0.303 105 V C -0.466 175.688 176.094 0.099 0.000 1.041 105 V CA -0.447 61.910 62.300 0.094 0.000 0.907 105 V CB 1.448 33.283 31.823 0.020 0.000 0.994 105 V HN 0.600 nan 8.190 nan 0.000 0.442 106 H N 4.878 123.966 119.070 0.031 0.000 2.472 106 H HA 0.826 5.381 4.556 -0.000 0.000 0.335 106 H C -0.333 175.013 175.328 0.031 0.000 1.136 106 H CA -0.497 55.568 56.048 0.027 0.000 1.264 106 H CB 1.372 31.149 29.762 0.025 0.000 1.486 106 H HN 0.722 nan 8.280 nan 0.000 0.517 107 M N 2.219 121.475 119.600 -0.574 0.000 2.523 107 M HA 0.361 4.841 4.480 -0.000 0.000 0.287 107 M C -2.219 173.886 176.300 -0.324 0.000 1.160 107 M CA -0.752 54.384 55.300 -0.274 0.000 0.902 107 M CB 2.467 35.007 32.600 -0.100 0.000 1.752 107 M HN 0.678 nan 8.290 nan 0.000 0.504 108 E N 1.257 121.403 120.200 -0.090 0.000 2.367 108 E HA 0.842 5.191 4.350 -0.000 0.000 0.273 108 E C -1.555 175.097 176.600 0.087 0.000 0.903 108 E CA -0.862 55.529 56.400 -0.015 0.000 0.764 108 E CB 2.419 32.147 29.700 0.047 0.000 1.252 108 E HN 0.955 nan 8.360 nan 0.000 0.446 109 S N 1.342 117.083 115.700 0.069 0.000 2.632 109 S HA 0.604 5.074 4.470 -0.000 0.000 0.289 109 S C -0.780 173.872 174.600 0.087 0.000 1.115 109 S CA -0.807 57.438 58.200 0.075 0.000 0.889 109 S CB 2.154 65.350 63.200 -0.007 0.000 1.116 109 S HN 0.627 nan 8.310 nan 0.000 0.486 110 E N 0.736 120.973 120.200 0.062 0.000 2.304 110 E HA 0.460 4.810 4.350 -0.000 0.000 0.277 110 E C -1.654 174.848 176.600 -0.164 0.000 0.898 110 E CA -0.723 55.656 56.400 -0.035 0.000 0.764 110 E CB 2.329 32.064 29.700 0.058 0.000 1.216 110 E HN 0.585 nan 8.360 nan 0.000 0.419 111 V N 4.077 123.860 119.914 -0.218 0.000 2.432 111 V HA 0.276 4.396 4.120 -0.000 0.000 0.275 111 V C -0.860 175.072 176.094 -0.271 0.000 1.043 111 V CA -0.354 61.845 62.300 -0.168 0.000 0.925 111 V CB 0.245 32.022 31.823 -0.077 0.000 0.985 111 V HN 0.530 nan 8.190 nan 0.000 0.466 112 Y N 1.930 122.152 120.300 -0.129 0.000 2.331 112 Y HA 0.379 4.929 4.550 -0.000 0.000 0.338 112 Y C 0.364 176.360 175.900 0.161 0.000 0.992 112 Y CA -1.088 57.014 58.100 0.003 0.000 1.121 112 Y CB 1.210 39.641 38.460 -0.048 0.000 1.184 112 Y HN 0.719 nan 8.280 nan 0.000 0.469 113 D N 1.704 122.260 120.400 0.260 0.000 2.425 113 D HA 0.097 4.737 4.640 -0.000 0.000 0.247 113 D C -0.670 175.829 176.300 0.331 0.000 1.147 113 D CA 0.473 54.607 54.000 0.222 0.000 0.879 113 D CB 0.683 41.559 40.800 0.127 0.000 1.179 113 D HN 0.477 nan 8.370 nan 0.000 0.456 114 T N 5.760 120.471 114.554 0.263 0.000 2.977 114 T HA 0.344 4.693 4.350 -0.000 0.000 0.346 114 T C -2.393 172.301 174.700 -0.010 0.000 1.140 114 T CA -1.235 61.007 62.100 0.238 0.000 1.040 114 T CB 1.332 70.350 68.868 0.250 0.000 1.046 114 T HN 0.327 nan 8.240 nan 0.000 0.494 115 P HA -0.006 nan 4.420 nan 0.000 0.261 115 P C 0.882 178.065 177.300 -0.196 0.000 1.165 115 P CA 0.221 63.245 63.100 -0.127 0.000 0.759 115 P CB 0.678 32.289 31.700 -0.148 0.000 0.772 116 E N 3.711 123.810 120.200 -0.168 0.000 2.267 116 E HA -0.247 4.103 4.350 -0.000 0.000 0.197 116 E C 1.052 177.494 176.600 -0.264 0.000 0.998 116 E CA 1.768 58.025 56.400 -0.239 0.000 0.830 116 E CB -0.476 29.163 29.700 -0.101 0.000 0.751 116 E HN 0.518 nan 8.360 nan 0.000 0.491 117 N N -0.744 117.865 118.700 -0.151 0.000 2.370 117 N HA 0.040 4.779 4.740 -0.000 0.000 0.198 117 N C 1.118 176.528 175.510 -0.166 0.000 1.156 117 N CA 0.351 53.344 53.050 -0.095 0.000 0.839 117 N CB 0.115 38.570 38.487 -0.054 0.000 0.989 117 N HN 0.261 nan 8.380 nan 0.000 0.468 118 I N -0.397 120.009 120.570 -0.274 0.000 3.790 118 I HA 0.002 4.172 4.170 -0.000 0.000 0.305 118 I C 1.387 177.271 176.117 -0.387 0.000 1.253 118 I CA 0.193 61.320 61.300 -0.288 0.000 1.355 118 I CB 0.429 38.237 38.000 -0.320 0.000 1.137 118 I HN 0.177 nan 8.210 nan 0.000 0.435 119 V N -2.930 116.606 119.914 -0.631 0.000 3.623 119 V HA 0.023 4.143 4.120 -0.000 0.000 0.271 119 V C 1.029 176.637 176.094 -0.810 0.000 1.248 119 V CA 1.069 62.797 62.300 -0.953 0.000 1.156 119 V CB -1.213 29.641 31.823 -1.615 0.000 0.870 119 V HN 0.439 nan 8.190 nan 0.000 0.453 120 H N -0.297 118.558 119.070 -0.357 0.000 2.923 120 H HA 0.554 5.109 4.556 -0.000 0.000 0.268 120 H C 1.532 176.759 175.328 -0.169 0.000 1.148 120 H CA 0.052 55.946 56.048 -0.256 0.000 1.146 120 H CB 0.995 30.643 29.762 -0.190 0.000 1.607 120 H HN 0.566 nan 8.280 nan 0.000 0.566 121 G N 0.540 109.289 108.800 -0.085 0.000 2.829 121 G HA2 0.208 4.168 3.960 -0.000 0.000 0.173 121 G HA3 0.208 4.168 3.960 -0.000 0.000 0.173 121 G C 0.026 174.920 174.900 -0.010 0.000 1.476 121 G CA -0.229 44.844 45.100 -0.044 0.000 1.072 121 G HN 0.292 nan 8.290 nan 0.000 0.577 122 S N -1.071 114.637 115.700 0.013 0.000 2.616 122 S HA 0.486 4.956 4.470 -0.000 0.000 0.277 122 S C 1.496 176.158 174.600 0.103 0.000 1.234 122 S CA 0.220 58.460 58.200 0.066 0.000 1.028 122 S CB 1.358 64.596 63.200 0.064 0.000 0.988 122 S HN 0.970 nan 8.310 nan 0.000 0.522 123 G N 1.778 110.694 108.800 0.193 0.000 2.469 123 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.219 123 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.219 123 G C 1.541 176.639 174.900 0.331 0.000 1.150 123 G CA 1.140 46.434 45.100 0.323 0.000 0.763 123 G HN 0.956 nan 8.290 nan 0.000 0.561 124 S N 0.782 116.621 115.700 0.231 0.000 2.359 124 S HA -0.272 4.198 4.470 -0.000 0.000 0.222 124 S C 2.188 176.877 174.600 0.150 0.000 1.038 124 S CA 1.741 60.055 58.200 0.189 0.000 1.051 124 S CB -0.742 62.526 63.200 0.114 0.000 0.944 124 S HN 0.582 nan 8.310 nan 0.000 0.433 125 Q N 0.622 120.473 119.800 0.085 0.000 2.096 125 Q HA -0.081 4.258 4.340 -0.000 0.000 0.204 125 Q C 2.348 178.370 176.000 0.037 0.000 0.982 125 Q CA 1.443 57.273 55.803 0.045 0.000 0.850 125 Q CB -0.498 28.238 28.738 -0.002 0.000 0.901 125 Q HN 0.497 nan 8.270 nan 0.000 0.422 126 L N -0.157 121.056 121.223 -0.016 0.000 2.012 126 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 126 L C 1.815 178.572 176.870 -0.187 0.000 1.073 126 L CA 1.788 56.551 54.840 -0.130 0.000 0.748 126 L CB -0.438 41.462 42.059 -0.265 0.000 0.891 126 L HN 0.065 nan 8.230 nan 0.000 0.431 127 F N -0.378 119.627 119.950 0.092 0.000 2.456 127 F HA -0.071 4.456 4.527 -0.000 0.000 0.298 127 F C 2.285 178.106 175.800 0.035 0.000 1.104 127 F CA 0.964 58.994 58.000 0.049 0.000 1.435 127 F CB -0.521 38.505 39.000 0.043 0.000 1.078 127 F HN 0.169 nan 8.300 nan 0.000 0.546 128 D N -1.338 119.175 120.400 0.188 0.000 2.234 128 D HA -0.155 4.484 4.640 -0.000 0.000 0.205 128 D C 2.029 178.417 176.300 0.147 0.000 0.962 128 D CA 1.001 55.087 54.000 0.143 0.000 0.855 128 D CB -0.183 40.687 40.800 0.116 0.000 0.951 128 D HN 0.285 nan 8.370 nan 0.000 0.500 129 H N 0.733 119.809 119.070 0.010 0.000 2.333 129 H HA -0.021 4.534 4.556 -0.000 0.000 0.302 129 H C 1.962 177.292 175.328 0.003 0.000 1.075 129 H CA 1.166 57.211 56.048 -0.004 0.000 1.348 129 H CB -0.329 29.399 29.762 -0.057 0.000 1.393 129 H HN -0.138 nan 8.280 nan 0.000 0.509 130 V N 0.893 120.713 119.914 -0.156 0.000 2.407 130 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 130 V C 2.772 178.847 176.094 -0.032 0.000 1.055 130 V CA 1.644 63.821 62.300 -0.205 0.000 1.049 130 V CB -1.306 30.386 31.823 -0.219 0.000 0.662 130 V HN 0.664 nan 8.190 nan 0.000 0.455 131 A N 0.110 122.961 122.820 0.052 0.000 1.873 131 A HA -0.264 4.056 4.320 -0.000 0.000 0.215 131 A C 2.289 179.968 177.584 0.158 0.000 1.186 131 A CA 1.869 53.992 52.037 0.144 0.000 0.616 131 A CB -0.558 18.519 19.000 0.129 0.000 0.823 131 A HN 0.652 nan 8.150 nan 0.000 0.442 132 E N -0.572 119.691 120.200 0.106 0.000 2.118 132 E HA -0.236 4.114 4.350 -0.000 0.000 0.195 132 E C 1.831 178.432 176.600 0.001 0.000 0.992 132 E CA 1.791 58.249 56.400 0.097 0.000 0.804 132 E CB -0.396 29.385 29.700 0.135 0.000 0.741 132 E HN 0.578 nan 8.360 nan 0.000 0.458 133 C N 0.248 119.469 119.300 -0.132 0.000 2.450 133 C HA -0.006 4.454 4.460 -0.000 0.000 0.279 133 C C 2.448 177.150 174.990 -0.481 0.000 1.335 133 C CA 0.154 58.894 59.018 -0.462 0.000 1.749 133 C CB -0.916 26.399 27.740 -0.709 0.000 1.963 133 C HN 0.555 nan 8.230 nan 0.000 0.501 134 L N 2.207 123.282 121.223 -0.247 0.000 1.973 134 L HA 0.084 4.424 4.340 -0.000 0.000 0.208 134 L C 2.487 179.180 176.870 -0.295 0.000 1.073 134 L CA 2.621 57.336 54.840 -0.208 0.000 0.746 134 L CB -1.642 40.395 42.059 -0.036 0.000 0.891 134 L HN 0.305 nan 8.230 nan 0.000 0.433 135 G N -0.584 107.916 108.800 -0.499 0.000 2.505 135 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.220 135 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.220 135 G C 1.434 176.177 174.900 -0.261 0.000 1.145 135 G CA 1.008 45.666 45.100 -0.736 0.000 0.761 135 G HN 0.622 nan 8.290 nan 0.000 0.571 136 D N -0.070 120.276 120.400 -0.089 0.000 2.104 136 D HA -0.181 4.459 4.640 -0.000 0.000 0.194 136 D C 2.166 178.506 176.300 0.067 0.000 0.994 136 D CA 1.023 55.037 54.000 0.024 0.000 0.830 136 D CB -0.261 40.611 40.800 0.121 0.000 0.959 136 D HN 0.293 nan 8.370 nan 0.000 0.452 137 F N 1.273 121.207 119.950 -0.026 0.000 2.091 137 F HA -0.216 4.311 4.527 -0.000 0.000 0.299 137 F C 2.512 178.282 175.800 -0.050 0.000 1.103 137 F CA 1.906 59.925 58.000 0.033 0.000 1.228 137 F CB -0.295 38.716 39.000 0.018 0.000 0.984 137 F HN -0.065 nan 8.300 nan 0.000 0.477 138 M N -0.410 119.207 119.600 0.028 0.000 2.132 138 M HA -0.148 4.332 4.480 -0.000 0.000 0.263 138 M C 2.190 178.402 176.300 -0.146 0.000 1.065 138 M CA 1.786 57.035 55.300 -0.084 0.000 1.122 138 M CB -0.795 31.752 32.600 -0.089 0.000 1.365 138 M HN 0.200 nan 8.290 nan 0.000 0.411 139 E N 1.194 121.318 120.200 -0.128 0.000 2.047 139 E HA -0.211 4.139 4.350 -0.000 0.000 0.191 139 E C 1.981 178.520 176.600 -0.101 0.000 0.987 139 E CA 1.170 57.514 56.400 -0.094 0.000 0.799 139 E CB 0.037 29.699 29.700 -0.064 0.000 0.752 139 E HN 0.344 nan 8.360 nan 0.000 0.449 140 K N 0.197 120.527 120.400 -0.115 0.000 2.360 140 K HA -0.137 4.183 4.320 -0.000 0.000 0.201 140 K C 1.631 178.128 176.600 -0.173 0.000 1.046 140 K CA 1.035 57.248 56.287 -0.124 0.000 0.940 140 K CB 0.125 32.553 32.500 -0.121 0.000 0.748 140 K HN -0.085 nan 8.250 nan 0.000 0.465 141 R N -0.460 119.904 120.500 -0.226 0.000 2.437 141 R HA 0.123 4.463 4.340 -0.000 0.000 0.257 141 R C -0.356 175.860 176.300 -0.139 0.000 0.927 141 R CA -0.013 55.953 56.100 -0.222 0.000 1.078 141 R CB 0.575 30.660 30.300 -0.358 0.000 1.161 141 R HN 0.002 nan 8.270 nan 0.000 0.529 142 K N 0.373 120.706 120.400 -0.112 0.000 2.948 142 K HA -0.184 4.136 4.320 -0.000 0.000 0.253 142 K C 0.323 176.888 176.600 -0.058 0.000 0.970 142 K CA 1.105 57.349 56.287 -0.071 0.000 0.716 142 K CB -1.580 30.887 32.500 -0.055 0.000 1.249 142 K HN 0.424 nan 8.250 nan 0.000 0.483 143 I N -3.195 117.335 120.570 -0.066 0.000 3.855 143 I HA 0.084 4.253 4.170 -0.000 0.000 0.327 143 I C 1.576 177.683 176.117 -0.018 0.000 1.359 143 I CA -0.342 60.934 61.300 -0.038 0.000 1.142 143 I CB 0.274 38.254 38.000 -0.034 0.000 1.041 143 I HN 0.078 nan 8.210 nan 0.000 0.403 144 K N 2.111 122.496 120.400 -0.025 0.000 2.515 144 K HA -0.141 4.178 4.320 -0.000 0.000 0.196 144 K C 1.233 177.853 176.600 0.034 0.000 1.038 144 K CA 1.472 57.757 56.287 -0.004 0.000 0.967 144 K CB 0.091 32.577 32.500 -0.023 0.000 0.780 144 K HN 0.655 nan 8.250 nan 0.000 0.483 145 D N 0.441 120.852 120.400 0.018 0.000 2.202 145 D HA -0.111 4.529 4.640 -0.000 0.000 0.214 145 D C -0.195 176.120 176.300 0.024 0.000 0.967 145 D CA 0.468 54.482 54.000 0.023 0.000 0.871 145 D CB -0.143 40.663 40.800 0.010 0.000 1.020 145 D HN 0.049 nan 8.370 nan 0.000 0.474 146 K N 1.880 122.287 120.400 0.012 0.000 2.278 146 K HA 0.211 4.530 4.320 -0.000 0.000 0.289 146 K C -0.436 176.174 176.600 0.016 0.000 1.080 146 K CA -0.146 56.146 56.287 0.009 0.000 0.934 146 K CB 0.464 32.959 32.500 -0.010 0.000 1.093 146 K HN -0.030 nan 8.250 nan 0.000 0.459 147 K N 3.667 124.085 120.400 0.030 0.000 2.062 147 K HA -0.007 4.313 4.320 -0.000 0.000 0.251 147 K C -0.238 176.365 176.600 0.004 0.000 1.113 147 K CA 0.213 56.524 56.287 0.041 0.000 1.096 147 K CB -0.303 32.229 32.500 0.054 0.000 1.099 147 K HN 0.407 nan 8.250 nan 0.000 0.350 148 L N 4.194 125.414 121.223 -0.005 0.000 2.439 148 L HA 0.190 4.530 4.340 -0.000 0.000 0.269 148 L C -1.874 174.965 176.870 -0.051 0.000 1.179 148 L CA -2.276 52.532 54.840 -0.054 0.000 0.828 148 L CB 0.264 42.313 42.059 -0.015 0.000 1.106 148 L HN 0.277 nan 8.230 nan 0.000 0.467 149 P HA 0.080 nan 4.420 nan 0.000 0.269 149 P C -0.922 176.407 177.300 0.048 0.000 1.209 149 P CA -0.146 62.899 63.100 -0.092 0.000 0.776 149 P CB 0.777 32.364 31.700 -0.188 0.000 0.876 150 V N 2.551 122.488 119.914 0.038 0.000 2.495 150 V HA 0.646 4.766 4.120 -0.000 0.000 0.298 150 V C 0.675 176.790 176.094 0.035 0.000 1.031 150 V CA -0.375 61.950 62.300 0.041 0.000 0.871 150 V CB 1.738 33.582 31.823 0.034 0.000 0.988 150 V HN 0.732 nan 8.190 nan 0.000 0.432 151 G N 3.194 112.008 108.800 0.024 0.000 2.389 151 G HA2 0.656 4.616 3.960 -0.000 0.000 0.328 151 G HA3 0.656 4.616 3.960 -0.000 0.000 0.328 151 G C -1.500 173.496 174.900 0.159 0.000 1.133 151 G CA -0.278 44.846 45.100 0.040 0.000 0.891 151 G HN 0.397 nan 8.290 nan 0.000 0.485 152 F N 1.602 121.552 119.950 -0.000 0.000 2.539 152 F HA 0.510 5.037 4.527 -0.000 0.000 0.328 152 F C -0.247 175.598 175.800 0.075 0.000 1.148 152 F CA -1.305 56.722 58.000 0.044 0.000 0.940 152 F CB 1.850 40.870 39.000 0.034 0.000 1.194 152 F HN 0.287 nan 8.300 nan 0.000 0.438 153 T N 7.211 122.029 114.554 0.440 0.000 2.738 153 T HA 0.342 4.692 4.350 -0.000 0.000 0.298 153 T C -1.130 173.647 174.700 0.128 0.000 0.962 153 T CA -0.070 62.122 62.100 0.153 0.000 0.972 153 T CB 0.032 68.974 68.868 0.123 0.000 0.928 153 T HN 0.342 nan 8.240 nan 0.000 0.474 154 F N 3.837 123.581 119.950 -0.344 0.000 2.434 154 F HA 0.367 4.893 4.527 -0.000 0.000 0.355 154 F C 0.300 175.951 175.800 -0.249 0.000 1.115 154 F CA -1.548 56.240 58.000 -0.353 0.000 1.010 154 F CB 1.123 39.729 39.000 -0.656 0.000 1.234 154 F HN 0.439 nan 8.300 nan 0.000 0.439 155 S N 5.951 121.276 115.700 -0.625 0.000 3.869 155 S HA 0.590 5.059 4.470 -0.000 0.000 0.241 155 S C -0.877 172.943 174.600 -1.299 0.000 1.363 155 S CA -0.282 57.455 58.200 -0.771 0.000 0.894 155 S CB -0.811 61.998 63.200 -0.652 0.000 1.519 155 S HN 0.377 nan 8.310 nan 0.000 0.470 156 F N 0.521 120.235 119.950 -0.394 0.000 2.693 156 F HA 0.466 4.993 4.527 -0.000 0.000 0.309 156 F C -2.754 172.949 175.800 -0.162 0.000 1.129 156 F CA -2.364 55.453 58.000 -0.306 0.000 0.948 156 F CB 1.343 40.035 39.000 -0.513 0.000 1.315 156 F HN 0.021 nan 8.300 nan 0.000 0.447 157 P HA 0.174 nan 4.420 nan 0.000 0.270 157 P C -0.812 176.518 177.300 0.050 0.000 1.242 157 P CA 0.159 63.295 63.100 0.059 0.000 0.768 157 P CB 0.428 32.170 31.700 0.070 0.000 0.820 158 C N 3.717 123.046 119.300 0.049 0.000 2.561 158 C HA 0.410 4.869 4.460 -0.000 0.000 0.319 158 C C 0.230 175.239 174.990 0.031 0.000 1.198 158 C CA -0.380 58.666 59.018 0.048 0.000 1.665 158 C CB 1.993 29.783 27.740 0.083 0.000 2.258 158 C HN 0.524 nan 8.230 nan 0.000 0.493 159 Q N 2.979 122.792 119.800 0.023 0.000 2.278 159 Q HA 0.502 4.842 4.340 -0.000 0.000 0.257 159 Q C -1.128 174.900 176.000 0.046 0.000 0.928 159 Q CA 0.177 56.000 55.803 0.032 0.000 0.932 159 Q CB 1.346 30.095 28.738 0.019 0.000 1.221 159 Q HN 0.933 nan 8.270 nan 0.000 0.434 160 Q N 0.925 120.787 119.800 0.103 0.000 2.353 160 Q HA 0.397 4.737 4.340 -0.000 0.000 0.275 160 Q C -0.643 175.524 176.000 0.278 0.000 1.029 160 Q CA -0.651 55.230 55.803 0.129 0.000 0.848 160 Q CB 1.410 30.228 28.738 0.134 0.000 1.390 160 Q HN 0.605 nan 8.270 nan 0.000 0.401 161 S N 0.677 116.393 115.700 0.027 0.000 2.578 161 S HA 0.255 4.725 4.470 -0.000 0.000 0.231 161 S C -0.239 173.819 174.600 -0.902 0.000 0.994 161 S CA -0.149 57.920 58.200 -0.217 0.000 0.956 161 S CB -0.207 62.917 63.200 -0.127 0.000 0.870 161 S HN 0.657 nan 8.310 nan 0.000 0.494 162 K N -0.635 119.388 120.400 -0.627 0.000 2.598 162 K HA 0.431 4.751 4.320 -0.000 0.000 0.271 162 K C -0.209 176.270 176.600 -0.202 0.000 0.947 162 K CA -0.928 55.023 56.287 -0.560 0.000 0.854 162 K CB 0.282 32.562 32.500 -0.368 0.000 1.401 162 K HN -0.108 nan 8.250 nan 0.000 0.415 163 I N 1.625 122.128 120.570 -0.113 0.000 2.300 163 I HA -0.282 3.888 4.170 -0.000 0.000 0.252 163 I C 0.977 177.080 176.117 -0.025 0.000 1.119 163 I CA 2.096 63.390 61.300 -0.010 0.000 1.384 163 I CB -0.051 37.947 38.000 -0.003 0.000 1.062 163 I HN 0.860 nan 8.210 nan 0.000 0.426 164 D N 0.029 120.395 120.400 -0.057 0.000 2.587 164 D HA 0.026 4.666 4.640 -0.000 0.000 0.233 164 D C 0.216 176.481 176.300 -0.057 0.000 1.213 164 D CA -0.108 53.867 54.000 -0.043 0.000 0.827 164 D CB -0.267 40.509 40.800 -0.040 0.000 1.006 164 D HN 0.559 nan 8.370 nan 0.000 0.490 165 E N -0.047 120.117 120.200 -0.061 0.000 2.331 165 E HA 0.568 4.918 4.350 -0.000 0.000 0.275 165 E C -1.963 174.606 176.600 -0.053 0.000 0.895 165 E CA -1.097 55.262 56.400 -0.069 0.000 0.753 165 E CB 2.123 31.774 29.700 -0.082 0.000 1.216 165 E HN 0.043 nan 8.360 nan 0.000 0.434 166 A N 5.147 127.923 122.820 -0.072 0.000 2.684 166 A HA 0.386 4.706 4.320 -0.000 0.000 0.289 166 A C -1.315 176.226 177.584 -0.072 0.000 1.139 166 A CA -0.572 51.428 52.037 -0.061 0.000 0.793 166 A CB 0.158 19.100 19.000 -0.097 0.000 1.334 166 A HN 0.544 nan 8.150 nan 0.000 0.408 167 I N 2.514 123.058 120.570 -0.043 0.000 2.322 167 I HA 0.160 4.330 4.170 -0.000 0.000 0.292 167 I C 0.278 176.371 176.117 -0.041 0.000 1.060 167 I CA -0.400 60.869 61.300 -0.052 0.000 1.309 167 I CB 1.188 39.165 38.000 -0.039 0.000 1.415 167 I HN 0.652 nan 8.210 nan 0.000 0.492 168 L N 8.251 129.432 121.223 -0.069 0.000 2.615 168 L HA 0.069 4.409 4.340 -0.000 0.000 0.271 168 L C 0.890 177.688 176.870 -0.120 0.000 1.183 168 L CA 0.963 55.740 54.840 -0.105 0.000 0.933 168 L CB -0.023 41.875 42.059 -0.268 0.000 1.199 168 L HN 0.601 nan 8.230 nan 0.000 0.487 169 I N 2.776 123.302 120.570 -0.073 0.000 2.133 169 I HA -0.081 4.089 4.170 -0.000 0.000 0.238 169 I C 0.933 177.004 176.117 -0.076 0.000 1.074 169 I CA 1.570 62.843 61.300 -0.045 0.000 1.342 169 I CB -0.271 37.729 38.000 0.001 0.000 1.053 169 I HN 0.886 nan 8.210 nan 0.000 0.404 170 T N -4.174 110.321 114.554 -0.098 0.000 2.739 170 T HA 0.284 4.634 4.350 -0.000 0.000 0.303 170 T C -1.515 173.112 174.700 -0.123 0.000 1.389 170 T CA -0.915 61.126 62.100 -0.098 0.000 1.001 170 T CB 0.814 69.710 68.868 0.045 0.000 1.436 170 T HN 0.123 nan 8.240 nan 0.000 0.500 171 W N 1.089 122.392 121.300 0.004 0.000 2.283 171 W HA 0.599 5.258 4.660 -0.000 0.000 0.341 171 W C 0.794 177.394 176.519 0.134 0.000 1.206 171 W CA -0.051 57.256 57.345 -0.063 0.000 1.294 171 W CB 1.748 31.180 29.460 -0.048 0.000 1.154 171 W HN 1.104 nan 8.180 nan 0.000 0.613 172 T N -1.652 113.279 114.554 0.628 0.000 2.754 172 T HA 0.570 4.920 4.350 -0.000 0.000 0.296 172 T C -0.129 174.877 174.700 0.510 0.000 1.205 172 T CA -0.900 61.495 62.100 0.492 0.000 1.009 172 T CB 2.170 71.281 68.868 0.406 0.000 1.368 172 T HN 0.615 nan 8.240 nan 0.000 0.509 173 K N 0.279 120.905 120.400 0.377 0.000 1.751 173 K HA -0.289 4.030 4.320 -0.000 0.000 0.134 173 K C 0.939 177.721 176.600 0.303 0.000 1.167 173 K CA 1.839 58.305 56.287 0.299 0.000 0.330 173 K CB -0.987 31.648 32.500 0.225 0.000 0.663 173 K HN 0.888 nan 8.250 nan 0.000 0.817 174 R N 0.598 121.291 120.500 0.321 0.000 2.468 174 R HA 0.314 4.654 4.340 -0.000 0.000 0.280 174 R C -0.110 176.261 176.300 0.118 0.000 0.963 174 R CA -0.215 56.021 56.100 0.227 0.000 1.083 174 R CB 0.107 30.468 30.300 0.101 0.000 1.200 174 R HN 0.014 nan 8.270 nan 0.000 0.541 175 F N 1.530 121.415 119.950 -0.108 0.000 2.379 175 F HA 0.369 4.896 4.527 -0.000 0.000 0.332 175 F C 0.840 176.222 175.800 -0.698 0.000 1.096 175 F CA -0.761 56.892 58.000 -0.579 0.000 1.105 175 F CB 1.594 39.992 39.000 -1.004 0.000 1.189 175 F HN -0.156 nan 8.300 nan 0.000 0.515 176 K N 1.483 121.430 120.400 -0.755 0.000 3.463 176 K HA 0.466 4.786 4.320 -0.000 0.000 0.161 176 K C -1.250 175.135 176.600 -0.357 0.000 0.980 176 K CA -0.002 55.996 56.287 -0.481 0.000 0.911 176 K CB 0.253 32.743 32.500 -0.017 0.000 0.679 176 K HN 0.567 nan 8.250 nan 0.000 0.427 177 A N 1.132 123.604 122.820 -0.580 0.000 2.362 177 A HA 0.491 4.811 4.320 -0.000 0.000 0.276 177 A C 0.366 178.123 177.584 0.289 0.000 1.153 177 A CA -0.007 51.982 52.037 -0.079 0.000 0.813 177 A CB 0.185 19.157 19.000 -0.047 0.000 1.081 177 A HN 0.540 nan 8.150 nan 0.000 0.507 178 S N 2.062 117.880 115.700 0.197 0.000 2.614 178 S HA 0.534 5.004 4.470 -0.000 0.000 0.265 178 S C 1.138 175.876 174.600 0.229 0.000 1.303 178 S CA 0.214 58.547 58.200 0.221 0.000 1.000 178 S CB 0.898 64.177 63.200 0.131 0.000 0.935 178 S HN 2.504 nan 8.310 nan 0.000 0.551 179 G N -0.210 108.702 108.800 0.187 0.000 2.155 179 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.257 179 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.257 179 G C 0.396 175.398 174.900 0.170 0.000 0.983 179 G CA 0.295 45.485 45.100 0.150 0.000 0.676 179 G HN 1.060 nan 8.290 nan 0.000 0.528 180 V N -0.544 119.504 119.914 0.222 0.000 3.013 180 V HA 0.224 4.344 4.120 -0.000 0.000 0.238 180 V C 1.393 177.476 176.094 -0.019 0.000 1.161 180 V CA 0.884 63.292 62.300 0.180 0.000 1.170 180 V CB -0.020 32.041 31.823 0.397 0.000 0.917 180 V HN 0.444 nan 8.190 nan 0.000 0.478 181 E N 0.745 120.894 120.200 -0.084 0.000 2.568 181 E HA 0.223 4.572 4.350 -0.000 0.000 0.262 181 E C 1.304 177.858 176.600 -0.076 0.000 0.961 181 E CA 1.007 57.304 56.400 -0.172 0.000 0.945 181 E CB 0.255 29.889 29.700 -0.110 0.000 0.924 181 E HN 0.556 nan 8.360 nan 0.000 0.467 182 G N 1.645 110.395 108.800 -0.084 0.000 2.184 182 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.264 182 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.264 182 G C 0.193 175.063 174.900 -0.049 0.000 0.975 182 G CA 0.269 45.340 45.100 -0.049 0.000 0.642 182 G HN 0.778 nan 8.290 nan 0.000 0.536 183 A N -0.691 122.091 122.820 -0.064 0.000 2.309 183 A HA 0.682 5.002 4.320 -0.000 0.000 0.317 183 A C -0.431 177.092 177.584 -0.102 0.000 1.134 183 A CA 0.110 52.104 52.037 -0.071 0.000 0.866 183 A CB 1.096 20.061 19.000 -0.059 0.000 1.329 183 A HN 0.260 nan 8.150 nan 0.000 0.477 184 D N 0.973 121.301 120.400 -0.121 0.000 2.380 184 D HA 0.249 4.889 4.640 -0.000 0.000 0.230 184 D C 1.502 177.664 176.300 -0.231 0.000 1.154 184 D CA 0.126 54.038 54.000 -0.147 0.000 0.859 184 D CB 1.132 41.859 40.800 -0.122 0.000 1.045 184 D HN 0.402 nan 8.370 nan 0.000 0.495 185 V N 2.754 122.500 119.914 -0.280 0.000 2.453 185 V HA -0.222 3.898 4.120 -0.000 0.000 0.252 185 V C 1.915 177.762 176.094 -0.412 0.000 1.068 185 V CA 1.284 63.311 62.300 -0.455 0.000 1.070 185 V CB -0.834 30.690 31.823 -0.498 0.000 0.664 185 V HN 0.384 nan 8.190 nan 0.000 0.461 186 V N 1.002 120.776 119.914 -0.232 0.000 2.295 186 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 186 V C 2.885 178.872 176.094 -0.177 0.000 1.049 186 V CA 2.660 64.878 62.300 -0.136 0.000 1.024 186 V CB -0.825 30.950 31.823 -0.081 0.000 0.648 186 V HN 0.614 nan 8.190 nan 0.000 0.447 187 K N 0.026 120.313 120.400 -0.188 0.000 2.057 187 K HA -0.106 4.213 4.320 -0.000 0.000 0.207 187 K C 2.143 178.605 176.600 -0.229 0.000 1.049 187 K CA 1.304 57.489 56.287 -0.170 0.000 0.931 187 K CB -0.431 31.985 32.500 -0.140 0.000 0.714 187 K HN 0.355 nan 8.250 nan 0.000 0.440 188 L N 0.824 121.829 121.223 -0.364 0.000 2.083 188 L HA -0.187 4.153 4.340 -0.000 0.000 0.209 188 L C 2.496 179.044 176.870 -0.536 0.000 1.083 188 L CA 0.583 55.113 54.840 -0.516 0.000 0.752 188 L CB -0.379 41.140 42.059 -0.899 0.000 0.899 188 L HN 0.149 nan 8.230 nan 0.000 0.433 189 L N -0.095 120.818 121.223 -0.516 0.000 2.068 189 L HA -0.085 4.254 4.340 -0.000 0.000 0.204 189 L C 2.215 179.010 176.870 -0.126 0.000 1.076 189 L CA 1.622 56.331 54.840 -0.219 0.000 0.753 189 L CB -0.779 41.218 42.059 -0.104 0.000 0.910 189 L HN 0.177 nan 8.230 nan 0.000 0.439 190 N N 0.092 118.710 118.700 -0.136 0.000 2.205 190 N HA -0.241 4.499 4.740 -0.000 0.000 0.186 190 N C 1.830 177.275 175.510 -0.108 0.000 1.015 190 N CA 1.212 54.196 53.050 -0.110 0.000 0.862 190 N CB -0.145 38.284 38.487 -0.098 0.000 0.986 190 N HN 0.340 nan 8.380 nan 0.000 0.429 191 K N 0.774 121.106 120.400 -0.114 0.000 2.057 191 K HA 0.040 4.360 4.320 -0.000 0.000 0.206 191 K C 1.901 178.467 176.600 -0.057 0.000 1.050 191 K CA 1.235 57.471 56.287 -0.084 0.000 0.935 191 K CB -0.164 32.282 32.500 -0.090 0.000 0.715 191 K HN 0.125 nan 8.250 nan 0.000 0.439 192 A N 0.406 123.205 122.820 -0.036 0.000 1.929 192 A HA -0.053 4.267 4.320 -0.000 0.000 0.216 192 A C 2.088 179.648 177.584 -0.040 0.000 1.176 192 A CA 1.178 53.221 52.037 0.010 0.000 0.628 192 A CB -0.508 18.552 19.000 0.100 0.000 0.816 192 A HN 0.301 nan 8.150 nan 0.000 0.444 193 I N -0.334 120.175 120.570 -0.101 0.000 2.361 193 I HA -0.254 3.916 4.170 -0.000 0.000 0.251 193 I C 2.455 178.417 176.117 -0.258 0.000 1.133 193 I CA 1.816 62.963 61.300 -0.255 0.000 1.413 193 I CB -0.095 37.713 38.000 -0.321 0.000 1.073 193 I HN 0.448 nan 8.210 nan 0.000 0.424 194 K N 1.472 121.779 120.400 -0.155 0.000 2.007 194 K HA -0.190 4.130 4.320 -0.000 0.000 0.206 194 K C 2.285 178.837 176.600 -0.079 0.000 1.047 194 K CA 1.182 57.398 56.287 -0.117 0.000 0.937 194 K CB -0.192 32.257 32.500 -0.084 0.000 0.718 194 K HN -0.089 nan 8.250 nan 0.000 0.438 195 K N 1.293 121.662 120.400 -0.052 0.000 2.127 195 K HA -0.277 4.043 4.320 -0.000 0.000 0.212 195 K C 2.223 178.813 176.600 -0.017 0.000 1.050 195 K CA 2.346 58.619 56.287 -0.023 0.000 0.929 195 K CB -0.170 32.328 32.500 -0.003 0.000 0.715 195 K HN 0.463 nan 8.250 nan 0.000 0.457 196 R N -1.254 119.230 120.500 -0.027 0.000 2.090 196 R HA 0.007 4.347 4.340 -0.000 0.000 0.219 196 R C 1.628 177.916 176.300 -0.019 0.000 1.100 196 R CA 1.279 57.377 56.100 -0.003 0.000 0.991 196 R CB -0.658 29.661 30.300 0.031 0.000 0.893 196 R HN 0.193 nan 8.270 nan 0.000 0.443 197 G N 1.580 110.331 108.800 -0.082 0.000 2.200 197 G HA2 -0.368 3.591 3.960 -0.000 0.000 0.267 197 G HA3 -0.368 3.591 3.960 -0.000 0.000 0.267 197 G C 0.549 175.437 174.900 -0.020 0.000 0.993 197 G CA 0.849 45.903 45.100 -0.077 0.000 0.701 197 G HN 0.588 nan 8.290 nan 0.000 0.524 198 D N -0.338 120.085 120.400 0.039 0.000 2.144 198 D HA -0.009 4.631 4.640 -0.000 0.000 0.199 198 D C 1.212 177.661 176.300 0.249 0.000 0.984 198 D CA 2.026 56.127 54.000 0.170 0.000 0.834 198 D CB -0.013 40.959 40.800 0.285 0.000 0.955 198 D HN 0.787 nan 8.370 nan 0.000 0.465 199 Y N -1.898 118.409 120.300 0.012 0.000 3.068 199 Y HA 0.667 5.217 4.550 -0.000 0.000 0.302 199 Y C -1.322 174.583 175.900 0.008 0.000 1.610 199 Y CA -1.640 56.466 58.100 0.011 0.000 1.078 199 Y CB 0.461 38.930 38.460 0.016 0.000 1.418 199 Y HN -0.337 nan 8.280 nan 0.000 0.525 200 D N 0.236 120.714 120.400 0.130 0.000 2.686 200 D HA 0.658 5.298 4.640 -0.000 0.000 0.249 200 D C -1.405 174.963 176.300 0.113 0.000 1.260 200 D CA -0.158 53.848 54.000 0.010 0.000 0.910 200 D CB 1.755 42.574 40.800 0.031 0.000 1.323 200 D HN 0.987 nan 8.370 nan 0.000 0.561 201 A N 3.396 126.237 122.820 0.035 0.000 2.340 201 A HA 0.579 4.899 4.320 -0.000 0.000 0.331 201 A C -0.257 177.353 177.584 0.043 0.000 1.140 201 A CA -0.783 51.313 52.037 0.098 0.000 0.801 201 A CB 0.872 19.952 19.000 0.132 0.000 1.234 201 A HN 0.592 nan 8.150 nan 0.000 0.469 202 N N 2.160 120.892 118.700 0.054 0.000 2.976 202 N HA 0.309 5.049 4.740 -0.000 0.000 0.255 202 N C -1.139 174.399 175.510 0.047 0.000 1.312 202 N CA -0.330 52.750 53.050 0.050 0.000 0.897 202 N CB 0.068 38.591 38.487 0.061 0.000 1.184 202 N HN 0.599 nan 8.380 nan 0.000 0.497 203 I N 3.379 123.970 120.570 0.036 0.000 2.453 203 I HA -0.082 4.088 4.170 -0.000 0.000 0.300 203 I C 1.745 177.891 176.117 0.048 0.000 1.159 203 I CA -0.115 61.213 61.300 0.047 0.000 1.379 203 I CB 0.562 38.590 38.000 0.048 0.000 1.460 203 I HN 0.379 nan 8.210 nan 0.000 0.601 204 V N 3.103 123.050 119.914 0.056 0.000 2.788 204 V HA 0.358 4.478 4.120 -0.000 0.000 0.251 204 V C 0.928 177.041 176.094 0.033 0.000 1.068 204 V CA 0.816 63.151 62.300 0.059 0.000 1.090 204 V CB -0.724 31.159 31.823 0.100 0.000 0.710 204 V HN 0.623 nan 8.190 nan 0.000 0.467 205 A N -0.874 121.967 122.820 0.036 0.000 2.606 205 A HA 0.808 5.128 4.320 -0.000 0.000 0.293 205 A C -1.251 176.364 177.584 0.052 0.000 1.082 205 A CA -0.418 51.634 52.037 0.024 0.000 0.685 205 A CB 2.210 21.210 19.000 0.001 0.000 1.284 205 A HN 0.380 nan 8.150 nan 0.000 0.408 206 V N 1.382 121.308 119.914 0.020 0.000 2.525 206 V HA 0.670 4.790 4.120 -0.000 0.000 0.299 206 V C -0.420 175.658 176.094 -0.026 0.000 1.034 206 V CA -0.325 61.964 62.300 -0.018 0.000 0.863 206 V CB 1.444 33.214 31.823 -0.088 0.000 0.999 206 V HN 1.542 nan 8.190 nan 0.000 0.423 207 V N 2.006 121.901 119.914 -0.031 0.000 2.962 207 V HA 0.671 4.791 4.120 -0.000 0.000 0.313 207 V C -0.329 175.740 176.094 -0.041 0.000 1.099 207 V CA -0.815 61.469 62.300 -0.027 0.000 0.971 207 V CB 2.126 33.937 31.823 -0.021 0.000 1.028 207 V HN 0.797 nan 8.190 nan 0.000 0.430 208 N N 1.709 120.379 118.700 -0.050 0.000 2.467 208 N HA 0.076 4.816 4.740 -0.000 0.000 0.262 208 N C 0.498 175.957 175.510 -0.084 0.000 1.234 208 N CA 0.347 53.349 53.050 -0.080 0.000 0.952 208 N CB 1.673 40.107 38.487 -0.088 0.000 1.158 208 N HN 0.986 nan 8.380 nan 0.000 0.463 209 D N 0.449 120.781 120.400 -0.113 0.000 2.178 209 D HA -0.178 4.462 4.640 -0.000 0.000 0.201 209 D C 1.635 177.883 176.300 -0.087 0.000 0.980 209 D CA 1.775 55.719 54.000 -0.094 0.000 0.842 209 D CB -0.916 39.814 40.800 -0.118 0.000 0.948 209 D HN 0.693 nan 8.370 nan 0.000 0.472 210 T N -1.046 113.444 114.554 -0.107 0.000 2.788 210 T HA -0.105 4.245 4.350 -0.000 0.000 0.268 210 T C 2.229 176.882 174.700 -0.077 0.000 1.044 210 T CA 1.140 63.176 62.100 -0.105 0.000 1.139 210 T CB -0.890 67.892 68.868 -0.143 0.000 0.867 210 T HN 0.072 nan 8.240 nan 0.000 0.454 211 V N 2.086 121.956 119.914 -0.073 0.000 2.295 211 V HA -0.007 4.113 4.120 -0.000 0.000 0.246 211 V C 3.097 179.165 176.094 -0.042 0.000 1.049 211 V CA 1.892 64.157 62.300 -0.057 0.000 1.024 211 V CB -1.482 30.307 31.823 -0.056 0.000 0.648 211 V HN 0.680 nan 8.190 nan 0.000 0.447 212 G N -0.590 108.184 108.800 -0.042 0.000 2.440 212 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.218 212 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.218 212 G C 1.699 176.583 174.900 -0.027 0.000 1.154 212 G CA 1.640 46.720 45.100 -0.034 0.000 0.767 212 G HN 0.468 nan 8.290 nan 0.000 0.552 213 T N 0.786 115.321 114.554 -0.030 0.000 2.708 213 T HA -0.124 4.226 4.350 -0.000 0.000 0.266 213 T C 2.265 176.963 174.700 -0.004 0.000 1.037 213 T CA 1.367 63.455 62.100 -0.019 0.000 1.146 213 T CB -0.212 68.637 68.868 -0.031 0.000 0.865 213 T HN 0.238 nan 8.240 nan 0.000 0.435 214 M N 0.163 119.756 119.600 -0.011 0.000 2.159 214 M HA -0.106 4.374 4.480 -0.000 0.000 0.263 214 M C 1.952 178.261 176.300 0.016 0.000 1.063 214 M CA 1.511 56.812 55.300 0.001 0.000 1.110 214 M CB -0.170 32.423 32.600 -0.011 0.000 1.374 214 M HN 0.161 nan 8.290 nan 0.000 0.411 215 M N -0.525 119.080 119.600 0.008 0.000 2.077 215 M HA -0.122 4.358 4.480 -0.000 0.000 0.261 215 M C 2.133 178.465 176.300 0.054 0.000 1.070 215 M CA 1.786 57.101 55.300 0.025 0.000 1.125 215 M CB -1.836 30.764 32.600 -0.000 0.000 1.339 215 M HN 0.227 nan 8.290 nan 0.000 0.409 216 T N 0.228 114.797 114.554 0.025 0.000 2.778 216 T HA -0.168 4.182 4.350 -0.000 0.000 0.269 216 T C 1.934 176.686 174.700 0.087 0.000 1.050 216 T CA 1.376 63.493 62.100 0.028 0.000 1.137 216 T CB -0.317 68.551 68.868 0.000 0.000 0.860 216 T HN 0.415 nan 8.240 nan 0.000 0.468 217 C N 0.619 119.968 119.300 0.080 0.000 2.674 217 C HA 0.324 4.784 4.460 -0.000 0.000 0.276 217 C C 2.970 178.021 174.990 0.102 0.000 1.300 217 C CA -0.351 58.722 59.018 0.093 0.000 1.732 217 C CB -1.027 26.752 27.740 0.066 0.000 2.076 217 C HN 0.668 nan 8.230 nan 0.000 0.548 218 G N -0.844 108.012 108.800 0.093 0.000 2.484 218 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.218 218 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.218 218 G C 1.277 176.231 174.900 0.090 0.000 1.130 218 G CA 0.547 45.691 45.100 0.072 0.000 0.784 218 G HN 0.586 nan 8.290 nan 0.000 0.543 219 Y N 1.783 122.093 120.300 0.016 0.000 2.181 219 Y HA -0.117 4.433 4.550 -0.000 0.000 0.288 219 Y C 1.839 177.756 175.900 0.028 0.000 1.146 219 Y CA 1.994 60.107 58.100 0.022 0.000 1.164 219 Y CB 0.245 38.720 38.460 0.025 0.000 0.982 219 Y HN 0.197 nan 8.280 nan 0.000 0.515 220 D N -0.738 119.738 120.400 0.127 0.000 2.350 220 D HA 0.022 4.662 4.640 -0.000 0.000 0.213 220 D C -0.295 176.019 176.300 0.023 0.000 1.031 220 D CA 0.748 54.781 54.000 0.056 0.000 0.861 220 D CB 0.223 41.105 40.800 0.136 0.000 0.926 220 D HN 0.286 nan 8.370 nan 0.000 0.520 221 D N 0.590 121.009 120.400 0.031 0.000 2.470 221 D HA 0.034 4.674 4.640 -0.000 0.000 0.233 221 D C 0.468 176.786 176.300 0.030 0.000 1.372 221 D CA -0.285 53.745 54.000 0.050 0.000 0.994 221 D CB 1.064 41.911 40.800 0.078 0.000 1.377 221 D HN -0.357 nan 8.370 nan 0.000 0.586 222 Q N 1.340 121.126 119.800 -0.023 0.000 2.541 222 Q HA -0.069 4.271 4.340 -0.000 0.000 0.215 222 Q C 0.415 176.320 176.000 -0.160 0.000 0.977 222 Q CA 0.754 56.497 55.803 -0.100 0.000 0.934 222 Q CB -0.177 28.467 28.738 -0.156 0.000 0.988 222 Q HN 0.606 nan 8.270 nan 0.000 0.521 223 H N -2.098 116.962 119.070 -0.015 0.000 2.551 223 H HA 0.126 4.682 4.556 -0.000 0.000 0.271 223 H C 0.072 175.388 175.328 -0.020 0.000 0.984 223 H CA -0.389 55.648 56.048 -0.018 0.000 1.164 223 H CB 0.506 30.253 29.762 -0.024 0.000 1.437 223 H HN 0.079 nan 8.280 nan 0.000 0.550 224 C N 1.638 120.981 119.300 0.072 0.000 2.629 224 C HA 0.044 4.503 4.460 -0.000 0.000 0.410 224 C C 1.022 176.029 174.990 0.027 0.000 1.339 224 C CA 0.390 59.432 59.018 0.040 0.000 1.810 224 C CB -0.428 27.333 27.740 0.035 0.000 2.549 224 C HN 0.672 nan 8.230 nan 0.000 0.589 225 E N 2.510 122.727 120.200 0.029 0.000 2.702 225 E HA 0.226 4.576 4.350 -0.000 0.000 0.225 225 E C -0.894 175.743 176.600 0.061 0.000 0.942 225 E CA 0.047 56.470 56.400 0.039 0.000 1.210 225 E CB 0.835 30.568 29.700 0.056 0.000 1.143 225 E HN 0.466 nan 8.360 nan 0.000 0.544 226 V N 0.626 120.565 119.914 0.041 0.000 2.808 226 V HA 0.641 4.761 4.120 -0.000 0.000 0.308 226 V C -0.118 175.987 176.094 0.019 0.000 1.099 226 V CA -1.079 61.251 62.300 0.051 0.000 0.920 226 V CB 1.987 33.843 31.823 0.055 0.000 1.014 226 V HN 0.165 nan 8.190 nan 0.000 0.425 227 G N 2.898 111.697 108.800 -0.003 0.000 2.478 227 G HA2 0.680 4.640 3.960 -0.000 0.000 0.317 227 G HA3 0.680 4.640 3.960 -0.000 0.000 0.317 227 G C -1.589 173.271 174.900 -0.066 0.000 1.259 227 G CA -0.529 44.554 45.100 -0.029 0.000 0.933 227 G HN 0.681 nan 8.290 nan 0.000 0.478 228 L N 3.709 124.906 121.223 -0.044 0.000 2.349 228 L HA 0.658 4.998 4.340 -0.000 0.000 0.278 228 L C -1.041 175.772 176.870 -0.094 0.000 0.996 228 L CA -0.856 53.944 54.840 -0.067 0.000 0.825 228 L CB 1.457 43.551 42.059 0.058 0.000 1.243 228 L HN 0.316 nan 8.230 nan 0.000 0.412 229 I N 6.830 127.340 120.570 -0.100 0.000 2.404 229 I HA 0.403 4.573 4.170 -0.000 0.000 0.293 229 I C -0.447 175.654 176.117 -0.026 0.000 0.992 229 I CA -0.303 60.948 61.300 -0.082 0.000 1.149 229 I CB 1.689 39.636 38.000 -0.088 0.000 1.315 229 I HN 0.621 nan 8.210 nan 0.000 0.446 230 I N 5.791 126.316 120.570 -0.075 0.000 2.641 230 I HA 0.445 4.615 4.170 -0.000 0.000 0.275 230 I C 0.376 176.425 176.117 -0.114 0.000 1.129 230 I CA -0.088 61.164 61.300 -0.081 0.000 1.094 230 I CB 1.465 39.368 38.000 -0.162 0.000 1.232 230 I HN 0.713 nan 8.210 nan 0.000 0.503 231 G N 1.967 110.719 108.800 -0.081 0.000 3.321 231 G HA2 0.164 4.124 3.960 -0.000 0.000 0.169 231 G HA3 0.164 4.124 3.960 -0.000 0.000 0.169 231 G C 0.577 175.429 174.900 -0.080 0.000 1.153 231 G CA 0.255 45.303 45.100 -0.087 0.000 1.007 231 G HN 0.201 nan 8.290 nan 0.000 0.668 232 T N 0.673 115.182 114.554 -0.076 0.000 2.624 232 T HA 0.067 4.417 4.350 -0.000 0.000 0.268 232 T C 1.286 175.935 174.700 -0.084 0.000 1.041 232 T CA 1.946 63.988 62.100 -0.096 0.000 1.159 232 T CB -0.620 68.205 68.868 -0.071 0.000 0.863 232 T HN 0.725 nan 8.240 nan 0.000 0.434 233 G N -0.876 107.902 108.800 -0.036 0.000 2.820 233 G HA2 0.560 4.520 3.960 -0.000 0.000 0.291 233 G HA3 0.560 4.520 3.960 -0.000 0.000 0.291 233 G C -1.107 173.836 174.900 0.071 0.000 1.323 233 G CA -0.350 44.775 45.100 0.041 0.000 1.055 233 G HN 0.244 nan 8.290 nan 0.000 0.520 234 T N -0.812 113.848 114.554 0.177 0.000 2.933 234 T HA 0.603 4.953 4.350 -0.000 0.000 0.305 234 T C -1.317 173.626 174.700 0.405 0.000 1.092 234 T CA -0.666 61.611 62.100 0.296 0.000 1.008 234 T CB 1.712 70.811 68.868 0.386 0.000 1.102 234 T HN 0.757 nan 8.240 nan 0.000 0.469 235 N N 1.414 120.201 118.700 0.146 0.000 3.043 235 N HA 0.711 5.451 4.740 -0.000 0.000 0.243 235 N C -2.033 172.980 175.510 -0.829 0.000 1.347 235 N CA -0.113 52.667 53.050 -0.450 0.000 0.896 235 N CB 1.943 40.305 38.487 -0.208 0.000 1.501 235 N HN 0.985 nan 8.380 nan 0.000 0.504 236 A N 0.465 122.583 122.820 -1.171 0.000 2.486 236 A HA 0.705 5.025 4.320 -0.000 0.000 0.300 236 A C -0.643 176.705 177.584 -0.393 0.000 1.048 236 A CA -0.535 51.005 52.037 -0.829 0.000 0.696 236 A CB 0.133 18.360 19.000 -1.288 0.000 1.278 236 A HN 1.181 nan 8.150 nan 0.000 0.405 237 C N 0.890 120.086 119.300 -0.174 0.000 2.707 237 C HA 1.047 5.507 4.460 -0.000 0.000 0.313 237 C C -0.789 174.265 174.990 0.107 0.000 1.209 237 C CA -0.854 58.148 59.018 -0.027 0.000 1.635 237 C CB 0.534 28.225 27.740 -0.081 0.000 2.206 237 C HN 1.589 nan 8.230 nan 0.000 0.485 238 Y N 0.689 120.938 120.300 -0.086 0.000 2.728 238 Y HA 0.796 5.346 4.550 -0.000 0.000 0.330 238 Y C -0.982 174.887 175.900 -0.050 0.000 1.234 238 Y CA -2.153 55.914 58.100 -0.056 0.000 1.070 238 Y CB 1.008 39.447 38.460 -0.035 0.000 1.300 238 Y HN 0.608 nan 8.280 nan 0.000 0.467 239 M N 2.762 122.301 119.600 -0.102 0.000 2.063 239 M HA 0.327 4.807 4.480 -0.000 0.000 0.348 239 M C -0.871 175.298 176.300 -0.218 0.000 1.180 239 M CA -0.181 55.005 55.300 -0.191 0.000 1.059 239 M CB 0.552 33.122 32.600 -0.051 0.000 1.544 239 M HN 0.874 nan 8.290 nan 0.000 0.447 240 E N 2.445 122.405 120.200 -0.400 0.000 2.221 240 E HA 0.322 4.672 4.350 -0.000 0.000 0.268 240 E C -0.795 175.764 176.600 -0.068 0.000 0.933 240 E CA -0.432 55.827 56.400 -0.234 0.000 0.809 240 E CB 1.204 30.648 29.700 -0.427 0.000 1.190 240 E HN 0.322 nan 8.360 nan 0.000 0.406 241 E N 3.585 123.833 120.200 0.080 0.000 2.324 241 E HA -0.009 4.341 4.350 -0.000 0.000 0.271 241 E C 0.779 177.413 176.600 0.056 0.000 1.028 241 E CA -0.173 56.296 56.400 0.115 0.000 0.890 241 E CB 0.814 30.692 29.700 0.296 0.000 1.004 241 E HN 0.549 nan 8.360 nan 0.000 0.431 242 L N 4.561 125.777 121.223 -0.012 0.000 2.081 242 L HA -0.218 4.122 4.340 -0.000 0.000 0.212 242 L C 1.902 178.741 176.870 -0.050 0.000 1.080 242 L CA 1.901 56.720 54.840 -0.034 0.000 0.754 242 L CB -0.620 41.420 42.059 -0.033 0.000 0.893 242 L HN 0.512 nan 8.230 nan 0.000 0.433 243 R N -2.149 118.286 120.500 -0.108 0.000 2.362 243 R HA -0.056 4.284 4.340 -0.000 0.000 0.204 243 R C 0.829 176.917 176.300 -0.354 0.000 1.088 243 R CA 0.763 56.736 56.100 -0.211 0.000 1.121 243 R CB -0.502 29.641 30.300 -0.262 0.000 0.954 243 R HN 0.422 nan 8.270 nan 0.000 0.478 244 H N -0.169 118.891 119.070 -0.016 0.000 3.622 244 H HA 0.274 4.830 4.556 -0.000 0.000 0.259 244 H C 0.226 175.542 175.328 -0.020 0.000 1.145 244 H CA -0.273 55.768 56.048 -0.011 0.000 1.178 244 H CB 0.795 30.555 29.762 -0.003 0.000 1.542 244 H HN 0.123 nan 8.280 nan 0.000 0.586 245 I N 2.669 123.274 120.570 0.059 0.000 2.204 245 I HA 0.003 4.173 4.170 -0.000 0.000 0.285 245 I C 0.546 176.663 176.117 0.000 0.000 1.112 245 I CA -0.162 61.141 61.300 0.005 0.000 1.502 245 I CB 0.371 38.339 38.000 -0.053 0.000 1.499 245 I HN -0.138 nan 8.210 nan 0.000 0.661 246 D N 2.546 122.958 120.400 0.020 0.000 2.244 246 D HA -0.209 4.431 4.640 -0.000 0.000 0.197 246 D C 1.699 178.006 176.300 0.012 0.000 1.006 246 D CA 1.650 55.661 54.000 0.018 0.000 0.888 246 D CB 0.091 40.911 40.800 0.033 0.000 0.912 246 D HN 0.497 nan 8.370 nan 0.000 0.452 247 L N 0.182 121.409 121.223 0.007 0.000 2.653 247 L HA 0.144 4.484 4.340 -0.000 0.000 0.232 247 L C -0.103 176.777 176.870 0.017 0.000 1.169 247 L CA -0.138 54.709 54.840 0.010 0.000 0.951 247 L CB 0.478 42.541 42.059 0.008 0.000 1.181 247 L HN -0.226 nan 8.230 nan 0.000 0.460 248 V N -0.183 119.738 119.914 0.011 0.000 2.488 248 V HA 0.164 4.284 4.120 -0.000 0.000 0.293 248 V C 0.105 176.220 176.094 0.035 0.000 1.027 248 V CA -0.791 61.533 62.300 0.039 0.000 0.862 248 V CB 2.359 34.176 31.823 -0.011 0.000 1.008 248 V HN 0.139 nan 8.190 nan 0.000 0.428 249 E N 2.820 123.049 120.200 0.047 0.000 2.417 249 E HA 0.473 4.822 4.350 -0.000 0.000 0.261 249 E C 0.523 177.140 176.600 0.028 0.000 1.000 249 E CA 0.998 57.416 56.400 0.029 0.000 0.919 249 E CB 1.061 30.777 29.700 0.025 0.000 0.955 249 E HN 0.985 nan 8.360 nan 0.000 0.455 250 G N 2.703 111.510 108.800 0.012 0.000 2.356 250 G HA2 0.056 4.016 3.960 -0.000 0.000 0.288 250 G HA3 0.056 4.016 3.960 -0.000 0.000 0.288 250 G C -0.908 173.986 174.900 -0.009 0.000 1.302 250 G CA 0.013 45.117 45.100 0.007 0.000 0.887 250 G HN 0.561 nan 8.290 nan 0.000 0.521 251 D N -1.742 118.650 120.400 -0.012 0.000 2.599 251 D HA 0.017 4.657 4.640 -0.000 0.000 0.472 251 D C 0.231 176.517 176.300 -0.023 0.000 1.161 251 D CA 0.643 54.626 54.000 -0.029 0.000 1.048 251 D CB -0.714 40.068 40.800 -0.030 0.000 1.602 251 D HN 0.860 nan 8.370 nan 0.000 0.380 252 E N 1.429 121.623 120.200 -0.010 0.000 2.156 252 E HA 0.519 4.869 4.350 -0.000 0.000 0.279 252 E C 0.773 177.370 176.600 -0.004 0.000 0.965 252 E CA -0.381 56.016 56.400 -0.004 0.000 0.789 252 E CB 1.955 31.658 29.700 0.006 0.000 1.098 252 E HN 0.258 nan 8.360 nan 0.000 0.397 253 G N 3.011 111.808 108.800 -0.005 0.000 2.584 253 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.229 253 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.229 253 G C -0.608 174.284 174.900 -0.014 0.000 1.320 253 G CA -0.251 44.845 45.100 -0.006 0.000 0.891 253 G HN 0.687 nan 8.290 nan 0.000 0.573 254 R N -1.289 119.197 120.500 -0.023 0.000 2.867 254 R HA 0.807 5.147 4.340 -0.000 0.000 0.268 254 R C -0.209 176.051 176.300 -0.068 0.000 1.014 254 R CA -0.771 55.303 56.100 -0.044 0.000 0.946 254 R CB 2.031 32.306 30.300 -0.041 0.000 1.208 254 R HN 0.833 nan 8.270 nan 0.000 0.477 255 M N 0.616 120.146 119.600 -0.117 0.000 2.378 255 M HA 0.338 4.818 4.480 -0.000 0.000 0.289 255 M C -1.426 174.739 176.300 -0.224 0.000 1.136 255 M CA -0.536 54.669 55.300 -0.158 0.000 0.917 255 M CB 2.013 34.495 32.600 -0.197 0.000 1.669 255 M HN 0.763 nan 8.290 nan 0.000 0.461 256 C N 6.144 125.319 119.300 -0.208 0.000 2.629 256 C HA 0.511 4.971 4.460 -0.000 0.000 0.410 256 C C -0.271 174.544 174.990 -0.291 0.000 1.339 256 C CA -0.444 58.431 59.018 -0.238 0.000 1.810 256 C CB -0.831 26.819 27.740 -0.151 0.000 2.549 256 C HN 0.704 nan 8.230 nan 0.000 0.589 257 I N 6.241 126.574 120.570 -0.396 0.000 2.377 257 I HA 0.273 4.443 4.170 -0.000 0.000 0.293 257 I C 0.167 176.186 176.117 -0.162 0.000 0.987 257 I CA -0.054 61.056 61.300 -0.317 0.000 1.185 257 I CB 1.358 39.109 38.000 -0.416 0.000 1.341 257 I HN 0.713 nan 8.210 nan 0.000 0.455 258 N N 3.934 122.569 118.700 -0.109 0.000 2.645 258 N HA 0.061 4.801 4.740 -0.000 0.000 0.233 258 N C 1.182 176.680 175.510 -0.019 0.000 1.058 258 N CA -0.111 52.898 53.050 -0.070 0.000 0.942 258 N CB 0.691 39.134 38.487 -0.073 0.000 1.210 258 N HN 0.703 nan 8.380 nan 0.000 0.512 259 T N -0.051 114.517 114.554 0.023 0.000 2.720 259 T HA -0.157 4.193 4.350 -0.000 0.000 0.268 259 T C 0.249 175.012 174.700 0.106 0.000 1.037 259 T CA 0.947 63.104 62.100 0.096 0.000 1.144 259 T CB -0.317 68.667 68.868 0.193 0.000 0.864 259 T HN 0.525 nan 8.240 nan 0.000 0.444 260 E N 0.389 120.615 120.200 0.042 0.000 2.340 260 E HA -0.135 4.215 4.350 -0.000 0.000 0.240 260 E C 0.122 176.903 176.600 0.301 0.000 1.154 260 E CA 0.782 57.250 56.400 0.115 0.000 0.717 260 E CB -1.898 27.867 29.700 0.108 0.000 1.250 260 E HN 0.987 nan 8.360 nan 0.000 0.386 261 W N -0.784 120.629 121.300 0.190 0.000 2.848 261 W HA 0.256 4.916 4.660 -0.000 0.000 0.241 261 W C 1.441 178.133 176.519 0.289 0.000 1.289 261 W CA 0.493 57.966 57.345 0.212 0.000 1.396 261 W CB -1.258 28.201 29.460 -0.002 0.000 1.138 261 W HN 0.140 nan 8.180 nan 0.000 0.677 262 G N 1.068 110.317 108.800 0.750 0.000 2.443 262 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.219 262 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.219 262 G C 1.630 176.799 174.900 0.448 0.000 1.131 262 G CA 1.079 46.536 45.100 0.596 0.000 0.775 262 G HN 0.437 nan 8.290 nan 0.000 0.547 263 A N 0.007 123.058 122.820 0.385 0.000 2.238 263 A HA 0.398 4.718 4.320 -0.000 0.000 0.208 263 A C 0.679 178.465 177.584 0.338 0.000 1.177 263 A CA -0.628 51.588 52.037 0.299 0.000 0.804 263 A CB -0.377 18.766 19.000 0.238 0.000 0.823 263 A HN 0.240 nan 8.150 nan 0.000 0.482 264 F N 1.429 121.493 119.950 0.190 0.000 2.602 264 F HA 0.370 4.897 4.527 -0.000 0.000 0.385 264 F C 1.324 177.179 175.800 0.092 0.000 1.063 264 F CA 0.804 58.857 58.000 0.088 0.000 1.233 264 F CB -0.334 38.541 39.000 -0.209 0.000 1.067 264 F HN 0.396 nan 8.300 nan 0.000 0.564 265 G N 4.517 113.355 108.800 0.065 0.000 2.175 265 G HA2 -0.312 3.647 3.960 -0.000 0.000 0.244 265 G HA3 -0.312 3.647 3.960 -0.000 0.000 0.244 265 G C 0.788 175.691 174.900 0.005 0.000 0.982 265 G CA 0.284 45.312 45.100 -0.121 0.000 0.641 265 G HN 0.584 nan 8.290 nan 0.000 0.527 266 D N 1.244 121.693 120.400 0.081 0.000 2.403 266 D HA 0.103 4.743 4.640 -0.000 0.000 0.227 266 D C 1.731 178.066 176.300 0.058 0.000 0.995 266 D CA 1.392 55.436 54.000 0.074 0.000 0.928 266 D CB -0.009 40.855 40.800 0.107 0.000 0.887 266 D HN 0.713 nan 8.370 nan 0.000 0.529 267 D N -2.383 118.050 120.400 0.055 0.000 2.469 267 D HA 0.207 4.847 4.640 -0.000 0.000 0.215 267 D C 1.493 177.809 176.300 0.027 0.000 1.154 267 D CA 0.336 54.364 54.000 0.048 0.000 0.832 267 D CB 0.251 41.091 40.800 0.066 0.000 1.008 267 D HN 0.112 nan 8.370 nan 0.000 0.506 268 G N 0.339 109.144 108.800 0.007 0.000 2.238 268 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.217 268 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.217 268 G C 1.322 176.206 174.900 -0.026 0.000 0.996 268 G CA 0.276 45.370 45.100 -0.009 0.000 0.632 268 G HN 0.266 nan 8.290 nan 0.000 0.503 269 S N 0.114 115.801 115.700 -0.022 0.000 2.441 269 S HA -0.026 4.444 4.470 -0.000 0.000 0.242 269 S C 1.793 176.332 174.600 -0.100 0.000 1.018 269 S CA 1.465 59.646 58.200 -0.033 0.000 0.988 269 S CB -0.115 63.096 63.200 0.018 0.000 0.778 269 S HN 0.536 nan 8.310 nan 0.000 0.498 270 L N 0.429 121.564 121.223 -0.148 0.000 2.858 270 L HA 0.247 4.587 4.340 -0.000 0.000 0.251 270 L C 1.553 178.363 176.870 -0.101 0.000 1.149 270 L CA -0.055 54.684 54.840 -0.168 0.000 0.955 270 L CB 0.057 41.951 42.059 -0.274 0.000 1.289 270 L HN 0.001 nan 8.230 nan 0.000 0.542 271 E N 1.232 121.388 120.200 -0.073 0.000 2.284 271 E HA -0.251 4.099 4.350 -0.000 0.000 0.200 271 E C 1.410 177.977 176.600 -0.055 0.000 1.008 271 E CA 1.511 57.876 56.400 -0.058 0.000 0.829 271 E CB -0.089 29.586 29.700 -0.042 0.000 0.744 271 E HN 0.639 nan 8.360 nan 0.000 0.491 272 D N 0.121 120.491 120.400 -0.050 0.000 2.347 272 D HA -0.121 4.519 4.640 -0.000 0.000 0.215 272 D C 1.841 178.112 176.300 -0.049 0.000 0.976 272 D CA 0.481 54.456 54.000 -0.041 0.000 0.884 272 D CB -0.288 40.495 40.800 -0.027 0.000 0.915 272 D HN 0.467 nan 8.370 nan 0.000 0.526 273 I N -3.480 117.054 120.570 -0.061 0.000 4.154 273 I HA 0.305 4.475 4.170 -0.000 0.000 0.334 273 I C 0.263 176.334 176.117 -0.075 0.000 1.371 273 I CA -0.772 60.489 61.300 -0.066 0.000 1.110 273 I CB 0.365 38.333 38.000 -0.053 0.000 1.085 273 I HN -0.325 nan 8.210 nan 0.000 0.398 274 R N 2.438 122.893 120.500 -0.075 0.000 2.410 274 R HA 0.435 4.775 4.340 -0.000 0.000 0.288 274 R C 0.239 176.491 176.300 -0.080 0.000 1.051 274 R CA 0.033 56.090 56.100 -0.073 0.000 1.021 274 R CB 1.365 31.623 30.300 -0.071 0.000 1.032 274 R HN 0.359 nan 8.270 nan 0.000 0.481 275 T N -2.522 111.991 114.554 -0.067 0.000 2.910 275 T HA 0.102 4.452 4.350 -0.000 0.000 0.279 275 T C 1.256 175.872 174.700 -0.139 0.000 0.989 275 T CA -0.829 61.213 62.100 -0.097 0.000 0.968 275 T CB 1.193 70.050 68.868 -0.018 0.000 1.135 275 T HN 0.702 nan 8.240 nan 0.000 0.562 276 E N -0.095 119.932 120.200 -0.288 0.000 2.204 276 E HA -0.108 4.242 4.350 -0.000 0.000 0.195 276 E C 1.210 177.608 176.600 -0.337 0.000 0.990 276 E CA 1.104 57.289 56.400 -0.358 0.000 0.821 276 E CB -0.604 28.789 29.700 -0.512 0.000 0.750 276 E HN 0.618 nan 8.360 nan 0.000 0.477 277 F N 2.098 122.014 119.950 -0.056 0.000 2.293 277 F HA -0.010 4.517 4.527 -0.000 0.000 0.297 277 F C 1.970 177.741 175.800 -0.049 0.000 1.089 277 F CA 0.900 58.876 58.000 -0.042 0.000 1.377 277 F CB -0.223 38.755 39.000 -0.038 0.000 1.051 277 F HN -0.041 nan 8.300 nan 0.000 0.511 278 D N 0.345 120.805 120.400 0.099 0.000 2.117 278 D HA -0.112 4.527 4.640 -0.000 0.000 0.198 278 D C 2.254 178.539 176.300 -0.024 0.000 0.982 278 D CA 1.011 55.019 54.000 0.013 0.000 0.828 278 D CB -0.282 40.503 40.800 -0.025 0.000 0.967 278 D HN 0.320 nan 8.370 nan 0.000 0.464 279 R N 0.820 121.296 120.500 -0.039 0.000 2.115 279 R HA -0.081 4.258 4.340 -0.000 0.000 0.230 279 R C 2.188 178.470 176.300 -0.030 0.000 1.111 279 R CA 0.749 56.821 56.100 -0.047 0.000 0.976 279 R CB -0.220 30.042 30.300 -0.063 0.000 0.870 279 R HN 0.291 nan 8.270 nan 0.000 0.445 280 E N 1.163 121.354 120.200 -0.015 0.000 2.107 280 E HA -0.118 4.232 4.350 -0.000 0.000 0.191 280 E C 2.005 178.619 176.600 0.023 0.000 0.982 280 E CA 0.569 56.974 56.400 0.008 0.000 0.809 280 E CB 0.121 29.841 29.700 0.033 0.000 0.756 280 E HN 0.168 nan 8.360 nan 0.000 0.459 281 I N 1.669 122.256 120.570 0.029 0.000 2.264 281 I HA -0.243 3.927 4.170 -0.000 0.000 0.248 281 I C 1.991 178.097 176.117 -0.018 0.000 1.111 281 I CA 1.625 62.938 61.300 0.021 0.000 1.382 281 I CB -0.564 37.438 38.000 0.003 0.000 1.060 281 I HN 0.266 nan 8.210 nan 0.000 0.418 282 D N 0.706 121.079 120.400 -0.044 0.000 2.117 282 D HA -0.161 4.479 4.640 -0.000 0.000 0.198 282 D C 2.305 178.596 176.300 -0.014 0.000 0.982 282 D CA 1.207 55.176 54.000 -0.052 0.000 0.828 282 D CB 0.052 40.819 40.800 -0.054 0.000 0.967 282 D HN 0.194 nan 8.370 nan 0.000 0.464 283 R N -0.546 119.950 120.500 -0.006 0.000 2.120 283 R HA 0.004 4.344 4.340 -0.000 0.000 0.234 283 R C 2.073 178.381 176.300 0.013 0.000 1.123 283 R CA 1.216 57.318 56.100 0.003 0.000 0.975 283 R CB -0.272 30.028 30.300 0.000 0.000 0.866 283 R HN 0.170 nan 8.270 nan 0.000 0.446 284 G N 0.668 109.482 108.800 0.023 0.000 3.141 284 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.218 284 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.218 284 G C 0.284 175.212 174.900 0.046 0.000 1.170 284 G CA -0.162 44.957 45.100 0.033 0.000 0.769 284 G HN 0.288 nan 8.290 nan 0.000 0.546 285 S N -0.562 115.166 115.700 0.047 0.000 2.652 285 S HA 0.405 4.875 4.470 -0.000 0.000 0.270 285 S C 1.144 175.782 174.600 0.064 0.000 1.243 285 S CA -0.691 57.555 58.200 0.077 0.000 0.999 285 S CB 1.561 64.801 63.200 0.067 0.000 0.973 285 S HN -0.124 nan 8.310 nan 0.000 0.544 286 L N 0.929 122.205 121.223 0.089 0.000 2.093 286 L HA 0.096 4.436 4.340 -0.000 0.000 0.208 286 L C 0.708 177.626 176.870 0.079 0.000 1.085 286 L CA 1.556 56.434 54.840 0.062 0.000 0.755 286 L CB -1.079 41.032 42.059 0.086 0.000 0.904 286 L HN 0.950 nan 8.230 nan 0.000 0.435 287 N N -0.569 118.195 118.700 0.107 0.000 3.012 287 N HA 0.238 4.978 4.740 -0.000 0.000 0.270 287 N C -2.879 172.676 175.510 0.075 0.000 1.469 287 N CA -2.138 50.977 53.050 0.108 0.000 0.928 287 N CB -0.169 38.411 38.487 0.155 0.000 1.219 287 N HN 0.065 nan 8.380 nan 0.000 0.492 288 P HA 0.123 nan 4.420 nan 0.000 0.264 288 P C 0.986 178.305 177.300 0.032 0.000 1.193 288 P CA 0.951 64.069 63.100 0.030 0.000 0.763 288 P CB 0.579 32.293 31.700 0.023 0.000 0.810 289 G N 1.438 110.249 108.800 0.018 0.000 2.176 289 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.253 289 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.253 289 G C 0.072 174.997 174.900 0.042 0.000 0.979 289 G CA 0.075 45.189 45.100 0.024 0.000 0.641 289 G HN 0.556 nan 8.290 nan 0.000 0.530 290 K N 0.148 120.581 120.400 0.055 0.000 2.221 290 K HA 0.652 4.972 4.320 -0.000 0.000 0.243 290 K C 0.851 177.504 176.600 0.089 0.000 0.968 290 K CA -0.779 55.560 56.287 0.086 0.000 0.846 290 K CB 0.999 33.567 32.500 0.113 0.000 1.141 290 K HN 0.225 nan 8.250 nan 0.000 0.434 291 Q N 1.179 121.057 119.800 0.131 0.000 2.453 291 Q HA -0.215 4.125 4.340 -0.000 0.000 0.294 291 Q C 0.827 176.880 176.000 0.088 0.000 1.295 291 Q CA 0.369 56.267 55.803 0.157 0.000 0.853 291 Q CB -2.049 26.796 28.738 0.179 0.000 1.193 291 Q HN 0.635 nan 8.270 nan 0.000 0.461 292 L N -1.420 119.848 121.223 0.075 0.000 2.079 292 L HA -0.167 4.172 4.340 -0.000 0.000 0.210 292 L C 2.052 178.940 176.870 0.029 0.000 1.081 292 L CA 1.835 56.682 54.840 0.012 0.000 0.752 292 L CB -0.464 41.599 42.059 0.005 0.000 0.896 292 L HN 0.303 nan 8.230 nan 0.000 0.433 293 F N 1.221 121.140 119.950 -0.051 0.000 2.128 293 F HA -0.206 4.321 4.527 -0.000 0.000 0.295 293 F C 2.585 178.366 175.800 -0.032 0.000 1.100 293 F CA 1.804 59.758 58.000 -0.077 0.000 1.260 293 F CB -0.214 38.772 39.000 -0.024 0.000 1.009 293 F HN 0.086 nan 8.300 nan 0.000 0.476 294 E N 0.535 120.787 120.200 0.086 0.000 2.097 294 E HA -0.280 4.070 4.350 -0.000 0.000 0.196 294 E C 1.823 178.416 176.600 -0.011 0.000 1.000 294 E CA 1.652 58.089 56.400 0.061 0.000 0.804 294 E CB -0.239 29.610 29.700 0.248 0.000 0.740 294 E HN 0.417 nan 8.360 nan 0.000 0.454 295 K N -0.541 119.750 120.400 -0.181 0.000 2.574 295 K HA -0.012 4.308 4.320 -0.000 0.000 0.193 295 K C 1.412 177.871 176.600 -0.236 0.000 1.035 295 K CA 0.618 56.608 56.287 -0.495 0.000 0.982 295 K CB 0.113 32.227 32.500 -0.644 0.000 0.795 295 K HN 0.306 nan 8.250 nan 0.000 0.491 296 M N -0.842 118.628 119.600 -0.217 0.000 2.308 296 M HA 0.028 4.508 4.480 -0.000 0.000 0.269 296 M C 0.927 177.100 176.300 -0.212 0.000 1.040 296 M CA 0.243 55.418 55.300 -0.207 0.000 1.024 296 M CB 1.144 33.580 32.600 -0.274 0.000 1.465 296 M HN -0.086 nan 8.290 nan 0.000 0.517 297 V N -1.698 118.089 119.914 -0.211 0.000 3.102 297 V HA 0.097 4.217 4.120 -0.000 0.000 0.225 297 V C 0.947 177.027 176.094 -0.023 0.000 1.301 297 V CA 0.281 62.483 62.300 -0.164 0.000 1.308 297 V CB 0.588 32.191 31.823 -0.366 0.000 1.129 297 V HN 0.374 nan 8.190 nan 0.000 0.502 298 S N 1.341 117.071 115.700 0.050 0.000 2.576 298 S HA 0.255 4.725 4.470 -0.000 0.000 0.272 298 S C 1.439 176.041 174.600 0.003 0.000 1.352 298 S CA 0.268 58.494 58.200 0.042 0.000 1.021 298 S CB 0.982 64.235 63.200 0.088 0.000 0.887 298 S HN 0.510 nan 8.310 nan 0.000 0.542 299 G N 0.507 109.262 108.800 -0.075 0.000 2.443 299 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.219 299 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.219 299 G C 1.147 175.973 174.900 -0.125 0.000 1.131 299 G CA 0.801 45.851 45.100 -0.084 0.000 0.775 299 G HN 0.827 nan 8.290 nan 0.000 0.547 300 M N -0.830 118.609 119.600 -0.270 0.000 2.460 300 M HA 0.066 4.546 4.480 -0.000 0.000 0.263 300 M C 1.384 177.389 176.300 -0.491 0.000 1.071 300 M CA 1.285 56.322 55.300 -0.437 0.000 1.096 300 M CB -0.007 32.209 32.600 -0.641 0.000 1.408 300 M HN 0.280 nan 8.290 nan 0.000 0.463 301 Y N -1.076 119.238 120.300 0.024 0.000 2.467 301 Y HA 0.244 4.794 4.550 -0.000 0.000 0.259 301 Y C 1.852 177.769 175.900 0.028 0.000 1.084 301 Y CA -0.336 57.780 58.100 0.027 0.000 1.275 301 Y CB -0.303 38.166 38.460 0.015 0.000 1.208 301 Y HN 0.028 nan 8.280 nan 0.000 0.511 302 L N 0.024 121.333 121.223 0.143 0.000 1.990 302 L HA -0.246 4.094 4.340 -0.000 0.000 0.213 302 L C 2.485 179.432 176.870 0.128 0.000 1.072 302 L CA 2.194 57.100 54.840 0.110 0.000 0.755 302 L CB -1.163 40.947 42.059 0.083 0.000 0.889 302 L HN 0.468 nan 8.230 nan 0.000 0.432 303 G N -0.407 108.480 108.800 0.145 0.000 2.491 303 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.218 303 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.218 303 G C 1.422 176.455 174.900 0.222 0.000 1.180 303 G CA 1.106 46.349 45.100 0.239 0.000 0.774 303 G HN 0.394 nan 8.290 nan 0.000 0.562 304 E N -0.103 120.193 120.200 0.159 0.000 2.153 304 E HA -0.094 4.256 4.350 -0.000 0.000 0.194 304 E C 2.271 178.918 176.600 0.077 0.000 0.988 304 E CA 0.599 57.076 56.400 0.128 0.000 0.811 304 E CB -0.391 29.393 29.700 0.141 0.000 0.746 304 E HN 0.287 nan 8.360 nan 0.000 0.466 305 L N -0.446 120.821 121.223 0.074 0.000 2.141 305 L HA -0.064 4.276 4.340 -0.000 0.000 0.209 305 L C 2.116 178.931 176.870 -0.092 0.000 1.094 305 L CA 1.273 56.124 54.840 0.018 0.000 0.763 305 L CB -0.453 41.625 42.059 0.031 0.000 0.908 305 L HN 0.114 nan 8.230 nan 0.000 0.437 306 V N -0.463 119.390 119.914 -0.101 0.000 2.379 306 V HA -0.200 3.920 4.120 -0.000 0.000 0.245 306 V C 2.751 178.639 176.094 -0.344 0.000 1.044 306 V CA 1.669 63.820 62.300 -0.249 0.000 1.036 306 V CB -0.555 31.107 31.823 -0.268 0.000 0.664 306 V HN 0.466 nan 8.190 nan 0.000 0.453 307 R N -0.089 120.250 120.500 -0.270 0.000 2.094 307 R HA -0.176 4.163 4.340 -0.000 0.000 0.239 307 R C 2.305 178.544 176.300 -0.102 0.000 1.137 307 R CA 1.854 57.835 56.100 -0.199 0.000 0.943 307 R CB -0.384 29.910 30.300 -0.011 0.000 0.850 307 R HN 0.437 nan 8.270 nan 0.000 0.433 308 L N 0.279 121.476 121.223 -0.044 0.000 2.079 308 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 308 L C 2.458 179.323 176.870 -0.009 0.000 1.081 308 L CA 1.312 56.178 54.840 0.043 0.000 0.752 308 L CB -0.412 41.731 42.059 0.140 0.000 0.896 308 L HN 0.280 nan 8.230 nan 0.000 0.433 309 I N -0.526 119.870 120.570 -0.290 0.000 2.394 309 I HA -0.270 3.900 4.170 -0.000 0.000 0.251 309 I C 2.359 178.354 176.117 -0.205 0.000 1.136 309 I CA 1.044 62.028 61.300 -0.528 0.000 1.425 309 I CB -0.075 37.498 38.000 -0.711 0.000 1.079 309 I HN 0.212 nan 8.210 nan 0.000 0.425 310 L N -0.542 120.578 121.223 -0.172 0.000 2.109 310 L HA -0.132 4.207 4.340 -0.000 0.000 0.207 310 L C 2.566 179.448 176.870 0.019 0.000 1.086 310 L CA 0.817 55.600 54.840 -0.095 0.000 0.760 310 L CB -0.521 41.492 42.059 -0.077 0.000 0.910 310 L HN 0.077 nan 8.230 nan 0.000 0.437 311 V N 0.523 120.464 119.914 0.045 0.000 2.343 311 V HA -0.303 3.817 4.120 -0.000 0.000 0.247 311 V C 2.578 178.731 176.094 0.099 0.000 1.051 311 V CA 2.067 64.420 62.300 0.088 0.000 1.036 311 V CB -0.494 31.379 31.823 0.084 0.000 0.654 311 V HN 0.416 nan 8.190 nan 0.000 0.451 312 K N -0.018 120.465 120.400 0.139 0.000 2.057 312 K HA -0.155 4.165 4.320 -0.000 0.000 0.207 312 K C 2.063 178.742 176.600 0.132 0.000 1.049 312 K CA 1.874 58.278 56.287 0.194 0.000 0.931 312 K CB -0.291 32.447 32.500 0.397 0.000 0.714 312 K HN 0.377 nan 8.250 nan 0.000 0.440 313 M N -0.257 119.363 119.600 0.033 0.000 2.156 313 M HA -0.048 4.432 4.480 -0.000 0.000 0.264 313 M C 2.270 178.498 176.300 -0.120 0.000 1.067 313 M CA 1.489 56.714 55.300 -0.126 0.000 1.131 313 M CB -0.255 32.160 32.600 -0.309 0.000 1.368 313 M HN 0.337 nan 8.290 nan 0.000 0.416 314 A N 0.577 123.358 122.820 -0.065 0.000 1.877 314 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 314 A C 2.069 179.674 177.584 0.035 0.000 1.186 314 A CA 1.798 53.842 52.037 0.012 0.000 0.620 314 A CB -0.630 18.500 19.000 0.217 0.000 0.822 314 A HN 0.389 nan 8.150 nan 0.000 0.443 315 K N -0.356 120.076 120.400 0.054 0.000 2.218 315 K HA -0.175 4.144 4.320 -0.000 0.000 0.205 315 K C 1.123 177.747 176.600 0.041 0.000 1.046 315 K CA 1.691 58.011 56.287 0.054 0.000 0.933 315 K CB -0.119 32.421 32.500 0.066 0.000 0.728 315 K HN 0.625 nan 8.250 nan 0.000 0.454 316 E N -0.722 119.495 120.200 0.029 0.000 2.451 316 E HA 0.075 4.425 4.350 -0.000 0.000 0.194 316 E C 0.360 176.954 176.600 -0.010 0.000 1.027 316 E CA 0.051 56.467 56.400 0.025 0.000 0.914 316 E CB 0.723 30.458 29.700 0.059 0.000 1.054 316 E HN 0.407 nan 8.360 nan 0.000 0.461 317 G N 1.528 110.316 108.800 -0.020 0.000 2.296 317 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.282 317 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.282 317 G C 0.692 175.544 174.900 -0.081 0.000 1.014 317 G CA 0.350 45.430 45.100 -0.034 0.000 0.812 317 G HN 0.409 nan 8.290 nan 0.000 0.508 318 L N -1.661 119.479 121.223 -0.139 0.000 2.477 318 L HA 0.442 4.782 4.340 -0.000 0.000 0.220 318 L C 1.166 177.866 176.870 -0.284 0.000 1.106 318 L CA 0.627 55.344 54.840 -0.205 0.000 0.851 318 L CB 0.051 41.937 42.059 -0.288 0.000 0.994 318 L HN 0.293 nan 8.230 nan 0.000 0.462 319 L N -2.143 118.859 121.223 -0.369 0.000 2.415 319 L HA 0.293 4.633 4.340 -0.000 0.000 0.256 319 L C -0.250 176.301 176.870 -0.531 0.000 1.010 319 L CA -1.030 53.417 54.840 -0.654 0.000 0.826 319 L CB 1.988 43.323 42.059 -1.207 0.000 1.405 319 L HN -0.095 nan 8.230 nan 0.000 0.410 320 F N -0.476 119.455 119.950 -0.031 0.000 3.100 320 F HA -0.280 4.247 4.527 -0.000 0.000 0.283 320 F C 1.046 176.837 175.800 -0.015 0.000 0.841 320 F CA 1.022 59.011 58.000 -0.019 0.000 1.026 320 F CB -2.548 36.442 39.000 -0.016 0.000 1.209 320 F HN 0.776 nan 8.300 nan 0.000 0.487 321 E N -1.102 119.133 120.200 0.058 0.000 2.476 321 E HA -0.095 4.255 4.350 -0.000 0.000 0.251 321 E C 1.439 178.070 176.600 0.051 0.000 1.130 321 E CA 1.079 57.501 56.400 0.037 0.000 0.736 321 E CB -1.344 28.385 29.700 0.048 0.000 1.298 321 E HN 1.320 nan 8.360 nan 0.000 0.400 322 G N 0.167 108.998 108.800 0.051 0.000 2.189 322 G HA2 -0.448 3.512 3.960 -0.000 0.000 0.267 322 G HA3 -0.448 3.512 3.960 -0.000 0.000 0.267 322 G C 0.368 175.327 174.900 0.099 0.000 0.975 322 G CA 0.619 45.756 45.100 0.061 0.000 0.644 322 G HN 0.391 nan 8.290 nan 0.000 0.537 323 R N 0.575 121.155 120.500 0.133 0.000 2.421 323 R HA 0.558 4.898 4.340 -0.000 0.000 0.305 323 R C 0.110 176.479 176.300 0.115 0.000 1.039 323 R CA 0.021 56.182 56.100 0.103 0.000 1.003 323 R CB 0.005 30.355 30.300 0.082 0.000 0.959 323 R HN 0.296 nan 8.270 nan 0.000 0.427 324 I N 4.428 125.040 120.570 0.069 0.000 2.433 324 I HA 0.295 4.464 4.170 -0.000 0.000 0.292 324 I C -0.055 176.073 176.117 0.017 0.000 1.001 324 I CA -0.749 60.585 61.300 0.058 0.000 1.119 324 I CB 2.185 40.223 38.000 0.063 0.000 1.289 324 I HN 0.804 nan 8.210 nan 0.000 0.438 325 T N 2.097 116.648 114.554 -0.006 0.000 2.932 325 T HA 0.446 4.795 4.350 -0.000 0.000 0.289 325 T C -2.249 172.447 174.700 -0.007 0.000 1.039 325 T CA -2.058 60.031 62.100 -0.018 0.000 1.024 325 T CB 2.052 70.890 68.868 -0.050 0.000 1.090 325 T HN 0.211 nan 8.240 nan 0.000 0.496 326 P HA -0.047 nan 4.420 nan 0.000 0.219 326 P C 0.964 178.265 177.300 0.002 0.000 1.146 326 P CA 0.997 64.098 63.100 0.001 0.000 0.808 326 P CB 0.145 31.844 31.700 -0.001 0.000 0.779 327 E N -0.872 119.324 120.200 -0.007 0.000 2.051 327 E HA -0.090 4.260 4.350 -0.000 0.000 0.189 327 E C 1.795 178.401 176.600 0.011 0.000 0.979 327 E CA 0.533 56.932 56.400 -0.002 0.000 0.803 327 E CB -1.142 28.548 29.700 -0.017 0.000 0.761 327 E HN 0.079 nan 8.360 nan 0.000 0.451 328 L N 0.310 121.533 121.223 -0.001 0.000 2.187 328 L HA -0.104 4.236 4.340 -0.000 0.000 0.213 328 L C 1.494 178.387 176.870 0.039 0.000 1.100 328 L CA 1.532 56.381 54.840 0.016 0.000 0.765 328 L CB -0.020 42.035 42.059 -0.007 0.000 0.904 328 L HN 0.140 nan 8.230 nan 0.000 0.437 329 L N -1.574 119.668 121.223 0.033 0.000 2.567 329 L HA 0.105 4.444 4.340 -0.000 0.000 0.225 329 L C 0.450 177.342 176.870 0.037 0.000 1.119 329 L CA -0.164 54.699 54.840 0.038 0.000 0.871 329 L CB -0.441 41.638 42.059 0.033 0.000 1.036 329 L HN 0.023 nan 8.230 nan 0.000 0.459 330 T N 1.909 116.483 114.554 0.034 0.000 2.761 330 T HA 0.138 4.488 4.350 -0.000 0.000 0.296 330 T C 0.415 175.142 174.700 0.044 0.000 0.934 330 T CA -0.438 61.682 62.100 0.033 0.000 1.091 330 T CB 0.678 69.560 68.868 0.023 0.000 0.896 330 T HN 0.237 nan 8.240 nan 0.000 0.515 331 R N 2.390 122.916 120.500 0.043 0.000 2.538 331 R HA 0.298 4.637 4.340 -0.000 0.000 0.282 331 R C 1.089 177.421 176.300 0.054 0.000 1.009 331 R CA 0.964 57.096 56.100 0.053 0.000 1.063 331 R CB -0.391 29.938 30.300 0.048 0.000 0.945 331 R HN 0.893 nan 8.270 nan 0.000 0.414 332 G N 3.169 112.011 108.800 0.070 0.000 2.176 332 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.253 332 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.253 332 G C 0.637 175.572 174.900 0.059 0.000 0.979 332 G CA 0.236 45.373 45.100 0.062 0.000 0.641 332 G HN 0.601 nan 8.290 nan 0.000 0.530 333 K N -0.722 119.725 120.400 0.079 0.000 2.296 333 K HA 0.248 4.568 4.320 -0.000 0.000 0.200 333 K C 0.364 177.023 176.600 0.099 0.000 1.048 333 K CA 0.113 56.441 56.287 0.070 0.000 0.966 333 K CB 0.016 32.558 32.500 0.071 0.000 0.754 333 K HN 0.457 nan 8.250 nan 0.000 0.466 334 F N 2.462 122.411 119.950 -0.002 0.000 2.325 334 F HA 0.275 4.802 4.527 -0.000 0.000 0.369 334 F C -0.078 175.722 175.800 -0.001 0.000 1.095 334 F CA -0.997 57.001 58.000 -0.003 0.000 1.082 334 F CB 0.447 39.451 39.000 0.006 0.000 1.289 334 F HN -0.163 nan 8.300 nan 0.000 0.462 335 N N 2.643 121.275 118.700 -0.113 0.000 2.483 335 N HA 0.085 4.825 4.740 -0.000 0.000 0.269 335 N C 1.048 176.534 175.510 -0.040 0.000 1.209 335 N CA 0.033 53.050 53.050 -0.055 0.000 0.969 335 N CB 1.482 39.910 38.487 -0.098 0.000 1.173 335 N HN 0.502 nan 8.380 nan 0.000 0.475 336 T N -0.232 114.329 114.554 0.012 0.000 2.929 336 T HA -0.132 4.218 4.350 -0.000 0.000 0.271 336 T C 1.872 176.565 174.700 -0.013 0.000 1.085 336 T CA 1.368 63.491 62.100 0.038 0.000 1.125 336 T CB -0.133 68.748 68.868 0.022 0.000 0.874 336 T HN 0.664 nan 8.240 nan 0.000 0.494 337 S N 1.294 116.951 115.700 -0.071 0.000 2.489 337 S HA -0.075 4.395 4.470 -0.000 0.000 0.228 337 S C 1.446 175.957 174.600 -0.149 0.000 0.995 337 S CA 0.558 58.699 58.200 -0.097 0.000 0.934 337 S CB -0.121 63.021 63.200 -0.096 0.000 0.771 337 S HN 0.388 nan 8.310 nan 0.000 0.522 338 D N 1.429 121.687 120.400 -0.236 0.000 2.249 338 D HA 0.065 4.705 4.640 -0.000 0.000 0.205 338 D C 2.039 178.228 176.300 -0.184 0.000 0.962 338 D CA 0.647 54.433 54.000 -0.357 0.000 0.860 338 D CB -0.140 40.135 40.800 -0.875 0.000 0.955 338 D HN 0.337 nan 8.370 nan 0.000 0.505 339 V N 1.175 121.071 119.914 -0.031 0.000 2.343 339 V HA -0.206 3.914 4.120 -0.000 0.000 0.247 339 V C 2.478 178.567 176.094 -0.008 0.000 1.051 339 V CA 1.559 63.938 62.300 0.132 0.000 1.036 339 V CB -0.410 31.544 31.823 0.219 0.000 0.654 339 V HN 0.131 nan 8.190 nan 0.000 0.451 340 S N 0.271 115.893 115.700 -0.130 0.000 2.357 340 S HA -0.077 4.392 4.470 -0.000 0.000 0.221 340 S C 2.276 176.732 174.600 -0.240 0.000 1.031 340 S CA 1.224 59.206 58.200 -0.363 0.000 0.982 340 S CB -0.525 62.503 63.200 -0.287 0.000 0.853 340 S HN 0.626 nan 8.310 nan 0.000 0.458 341 A N 1.644 124.372 122.820 -0.154 0.000 1.917 341 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 341 A C 2.056 179.593 177.584 -0.079 0.000 1.182 341 A CA 1.371 53.341 52.037 -0.112 0.000 0.633 341 A CB -0.812 18.121 19.000 -0.112 0.000 0.819 341 A HN 0.498 nan 8.150 nan 0.000 0.448 342 I N -0.643 119.892 120.570 -0.058 0.000 2.394 342 I HA -0.177 3.993 4.170 -0.000 0.000 0.251 342 I C 1.728 177.845 176.117 0.000 0.000 1.136 342 I CA 1.166 62.465 61.300 -0.001 0.000 1.425 342 I CB -0.297 37.746 38.000 0.071 0.000 1.079 342 I HN 0.408 nan 8.210 nan 0.000 0.425 343 E N 0.918 121.090 120.200 -0.046 0.000 2.437 343 E HA 0.053 4.403 4.350 -0.000 0.000 0.189 343 E C 0.152 176.717 176.600 -0.058 0.000 1.054 343 E CA -0.070 56.308 56.400 -0.036 0.000 0.874 343 E CB 0.230 29.913 29.700 -0.029 0.000 1.011 343 E HN 0.376 nan 8.360 nan 0.000 0.474 344 K N 0.776 121.138 120.400 -0.064 0.000 2.355 344 K HA 0.066 4.386 4.320 -0.000 0.000 0.270 344 K C 0.520 177.111 176.600 -0.015 0.000 1.003 344 K CA -0.013 56.244 56.287 -0.050 0.000 0.957 344 K CB 0.580 33.056 32.500 -0.041 0.000 0.939 344 K HN 0.020 nan 8.250 nan 0.000 0.482 345 N N 1.980 120.674 118.700 -0.011 0.000 2.142 345 N HA -0.186 4.554 4.740 -0.000 0.000 0.186 345 N C 1.414 176.928 175.510 0.008 0.000 1.023 345 N CA 1.360 54.412 53.050 0.003 0.000 0.852 345 N CB 0.122 38.610 38.487 0.002 0.000 0.998 345 N HN 0.511 nan 8.380 nan 0.000 0.424 346 K N 1.192 121.593 120.400 0.002 0.000 1.968 346 K HA -0.090 4.230 4.320 -0.000 0.000 0.215 346 K C 0.689 177.299 176.600 0.016 0.000 1.040 346 K CA 1.415 57.704 56.287 0.004 0.000 0.959 346 K CB -0.555 31.943 32.500 -0.004 0.000 0.740 346 K HN 0.235 nan 8.250 nan 0.000 0.443 347 E N 1.321 121.536 120.200 0.025 0.000 2.335 347 E HA 0.164 4.514 4.350 -0.000 0.000 0.191 347 E C 1.383 178.031 176.600 0.079 0.000 1.077 347 E CA 0.027 56.468 56.400 0.067 0.000 1.010 347 E CB 0.352 30.106 29.700 0.090 0.000 1.141 347 E HN 0.516 nan 8.360 nan 0.000 0.452 348 G N 1.539 110.367 108.800 0.046 0.000 2.480 348 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.216 348 G HA3 -0.267 3.692 3.960 -0.000 0.000 0.216 348 G C 1.409 176.339 174.900 0.051 0.000 1.200 348 G CA 0.519 45.641 45.100 0.036 0.000 0.782 348 G HN 0.285 nan 8.290 nan 0.000 0.554 349 L N -0.114 121.149 121.223 0.067 0.000 2.275 349 L HA -0.004 4.336 4.340 -0.000 0.000 0.215 349 L C 2.553 179.472 176.870 0.082 0.000 1.119 349 L CA 1.213 56.094 54.840 0.069 0.000 0.790 349 L CB -0.367 41.731 42.059 0.066 0.000 0.919 349 L HN 0.419 nan 8.230 nan 0.000 0.443 350 H N -0.033 119.043 119.070 0.010 0.000 2.403 350 H HA -0.051 4.505 4.556 -0.000 0.000 0.298 350 H C 2.082 177.410 175.328 0.000 0.000 1.059 350 H CA 1.353 57.404 56.048 0.005 0.000 1.363 350 H CB 0.175 29.936 29.762 -0.002 0.000 1.410 350 H HN 0.134 nan 8.280 nan 0.000 0.528 351 N N 0.668 119.300 118.700 -0.114 0.000 2.166 351 N HA -0.095 4.644 4.740 -0.000 0.000 0.186 351 N C 1.987 177.415 175.510 -0.137 0.000 1.019 351 N CA 1.286 54.235 53.050 -0.169 0.000 0.856 351 N CB -0.647 37.805 38.487 -0.057 0.000 0.993 351 N HN 0.540 nan 8.380 nan 0.000 0.426 352 A N 1.463 124.253 122.820 -0.050 0.000 1.851 352 A HA -0.220 4.099 4.320 -0.000 0.000 0.216 352 A C 2.177 179.751 177.584 -0.016 0.000 1.195 352 A CA 2.020 54.064 52.037 0.011 0.000 0.622 352 A CB -0.731 18.306 19.000 0.062 0.000 0.831 352 A HN 0.351 nan 8.150 nan 0.000 0.444 353 K N -0.255 120.120 120.400 -0.041 0.000 2.074 353 K HA -0.232 4.088 4.320 -0.000 0.000 0.209 353 K C 1.970 178.511 176.600 -0.098 0.000 1.048 353 K CA 1.945 58.205 56.287 -0.046 0.000 0.926 353 K CB -0.212 32.267 32.500 -0.034 0.000 0.713 353 K HN 0.629 nan 8.250 nan 0.000 0.444 354 E N 0.294 120.376 120.200 -0.196 0.000 2.031 354 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 354 E C 2.176 178.700 176.600 -0.126 0.000 0.994 354 E CA 1.610 57.896 56.400 -0.189 0.000 0.800 354 E CB -0.181 29.346 29.700 -0.288 0.000 0.752 354 E HN 0.350 nan 8.360 nan 0.000 0.447 355 I N 1.254 121.750 120.570 -0.123 0.000 2.099 355 I HA -0.333 3.837 4.170 -0.000 0.000 0.239 355 I C 2.529 178.613 176.117 -0.054 0.000 1.066 355 I CA 1.212 62.447 61.300 -0.108 0.000 1.324 355 I CB -0.302 37.613 38.000 -0.141 0.000 1.037 355 I HN 0.089 nan 8.210 nan 0.000 0.401 356 L N -0.255 120.965 121.223 -0.003 0.000 2.013 356 L HA -0.271 4.069 4.340 -0.000 0.000 0.212 356 L C 2.627 179.440 176.870 -0.095 0.000 1.073 356 L CA 1.795 56.623 54.840 -0.020 0.000 0.753 356 L CB -1.041 41.024 42.059 0.009 0.000 0.890 356 L HN 0.307 nan 8.230 nan 0.000 0.432 357 T N -0.675 113.832 114.554 -0.078 0.000 2.720 357 T HA -0.188 4.162 4.350 -0.000 0.000 0.268 357 T C 1.914 176.569 174.700 -0.076 0.000 1.037 357 T CA 1.183 63.236 62.100 -0.079 0.000 1.144 357 T CB -0.197 68.635 68.868 -0.061 0.000 0.864 357 T HN 0.305 nan 8.240 nan 0.000 0.444 358 R N 0.582 121.039 120.500 -0.072 0.000 2.241 358 R HA 0.102 4.442 4.340 -0.000 0.000 0.224 358 R C 1.801 178.065 176.300 -0.060 0.000 1.101 358 R CA 0.623 56.685 56.100 -0.064 0.000 0.995 358 R CB -0.323 29.935 30.300 -0.069 0.000 0.870 358 R HN 0.391 nan 8.270 nan 0.000 0.463 359 L N -0.128 121.053 121.223 -0.070 0.000 2.612 359 L HA 0.100 4.440 4.340 -0.000 0.000 0.230 359 L C 1.175 177.988 176.870 -0.095 0.000 1.140 359 L CA 0.428 55.227 54.840 -0.069 0.000 0.896 359 L CB 0.069 42.088 42.059 -0.067 0.000 1.065 359 L HN 0.458 nan 8.230 nan 0.000 0.447 360 G N -0.396 108.348 108.800 -0.092 0.000 2.253 360 G HA2 -0.278 3.681 3.960 -0.000 0.000 0.251 360 G HA3 -0.278 3.681 3.960 -0.000 0.000 0.251 360 G C 0.436 175.264 174.900 -0.121 0.000 0.998 360 G CA 0.267 45.315 45.100 -0.087 0.000 0.621 360 G HN 0.129 nan 8.290 nan 0.000 0.524 361 V N 0.272 120.065 119.914 -0.201 0.000 3.185 361 V HA 0.580 4.700 4.120 -0.000 0.000 0.305 361 V C 0.627 176.621 176.094 -0.166 0.000 1.090 361 V CA 0.149 62.281 62.300 -0.280 0.000 1.107 361 V CB 1.669 33.094 31.823 -0.663 0.000 1.061 361 V HN 0.262 nan 8.190 nan 0.000 0.480 362 E N 3.067 123.202 120.200 -0.107 0.000 2.346 362 E HA 0.393 4.742 4.350 -0.000 0.000 0.239 362 E C -2.539 174.072 176.600 0.017 0.000 0.943 362 E CA -2.090 54.289 56.400 -0.035 0.000 0.751 362 E CB 0.815 30.509 29.700 -0.010 0.000 1.241 362 E HN 0.483 nan 8.360 nan 0.000 0.423 363 P HA 0.137 nan 4.420 nan 0.000 0.275 363 P C -0.395 176.959 177.300 0.090 0.000 1.227 363 P CA -0.382 62.787 63.100 0.115 0.000 0.781 363 P CB 1.335 33.098 31.700 0.105 0.000 0.906 364 S N 1.127 116.890 115.700 0.106 0.000 2.687 364 S HA 0.220 4.690 4.470 -0.000 0.000 0.283 364 S C 0.841 175.475 174.600 0.056 0.000 1.170 364 S CA -0.498 57.741 58.200 0.064 0.000 1.008 364 S CB 0.754 63.985 63.200 0.052 0.000 1.026 364 S HN 0.294 nan 8.310 nan 0.000 0.541 365 D N 1.198 121.621 120.400 0.040 0.000 2.158 365 D HA -0.106 4.534 4.640 -0.000 0.000 0.197 365 D C 1.094 177.411 176.300 0.029 0.000 0.995 365 D CA 1.502 55.523 54.000 0.036 0.000 0.846 365 D CB -0.396 40.420 40.800 0.027 0.000 0.941 365 D HN 0.662 nan 8.370 nan 0.000 0.456 366 D N 0.387 120.798 120.400 0.018 0.000 2.117 366 D HA -0.109 4.531 4.640 -0.000 0.000 0.198 366 D C 1.564 177.863 176.300 -0.003 0.000 0.982 366 D CA 0.790 54.789 54.000 -0.001 0.000 0.828 366 D CB -0.132 40.659 40.800 -0.015 0.000 0.967 366 D HN 0.076 nan 8.370 nan 0.000 0.464 367 D N -0.474 119.937 120.400 0.018 0.000 2.104 367 D HA -0.137 4.503 4.640 -0.000 0.000 0.194 367 D C 2.192 178.530 176.300 0.063 0.000 0.994 367 D CA 0.705 54.721 54.000 0.027 0.000 0.830 367 D CB -0.525 40.369 40.800 0.156 0.000 0.959 367 D HN 0.245 nan 8.370 nan 0.000 0.452 368 C N 0.146 119.496 119.300 0.083 0.000 2.413 368 C HA -0.086 4.374 4.460 -0.000 0.000 0.276 368 C C 2.958 177.988 174.990 0.067 0.000 1.248 368 C CA 0.172 59.241 59.018 0.085 0.000 1.742 368 C CB -0.881 26.901 27.740 0.070 0.000 2.017 368 C HN 0.173 nan 8.230 nan 0.000 0.481 369 V N 0.857 120.798 119.914 0.045 0.000 2.295 369 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 369 V C 2.515 178.638 176.094 0.047 0.000 1.049 369 V CA 2.448 64.772 62.300 0.040 0.000 1.024 369 V CB -0.761 31.069 31.823 0.013 0.000 0.648 369 V HN 0.574 nan 8.190 nan 0.000 0.447 370 S N -0.343 115.365 115.700 0.014 0.000 2.348 370 S HA -0.172 4.298 4.470 -0.000 0.000 0.221 370 S C 1.997 176.609 174.600 0.021 0.000 1.033 370 S CA 1.514 59.713 58.200 -0.002 0.000 1.010 370 S CB -0.288 62.861 63.200 -0.084 0.000 0.891 370 S HN 0.357 nan 8.310 nan 0.000 0.442 371 V N 1.913 121.837 119.914 0.016 0.000 2.490 371 V HA -0.195 3.925 4.120 -0.000 0.000 0.250 371 V C 2.546 178.682 176.094 0.069 0.000 1.061 371 V CA 1.748 64.067 62.300 0.031 0.000 1.064 371 V CB -0.589 31.299 31.823 0.108 0.000 0.670 371 V HN 0.520 nan 8.190 nan 0.000 0.461 372 Q N -0.738 119.119 119.800 0.096 0.000 2.172 372 Q HA -0.242 4.098 4.340 -0.000 0.000 0.200 372 Q C 2.150 178.221 176.000 0.119 0.000 0.964 372 Q CA 1.689 57.556 55.803 0.108 0.000 0.855 372 Q CB -0.051 28.748 28.738 0.102 0.000 0.918 372 Q HN 0.812 nan 8.270 nan 0.000 0.444 373 H N -0.757 118.329 119.070 0.027 0.000 2.502 373 H HA 0.030 4.586 4.556 -0.000 0.000 0.283 373 H C 1.709 177.050 175.328 0.020 0.000 1.015 373 H CA 1.051 57.116 56.048 0.029 0.000 1.298 373 H CB 0.274 30.045 29.762 0.014 0.000 1.411 373 H HN 0.041 nan 8.280 nan 0.000 0.556 374 V N -0.928 118.981 119.914 -0.007 0.000 2.323 374 V HA -0.284 3.836 4.120 -0.000 0.000 0.244 374 V C 2.592 178.639 176.094 -0.080 0.000 1.041 374 V CA 1.587 63.839 62.300 -0.080 0.000 1.025 374 V CB -0.601 31.159 31.823 -0.105 0.000 0.656 374 V HN 0.625 nan 8.190 nan 0.000 0.451 375 C N -0.279 119.012 119.300 -0.015 0.000 2.393 375 C HA -0.210 4.249 4.460 -0.000 0.000 0.276 375 C C 2.983 177.995 174.990 0.037 0.000 1.215 375 C CA 1.915 60.962 59.018 0.049 0.000 1.743 375 C CB -1.352 26.461 27.740 0.123 0.000 2.044 375 C HN 0.625 nan 8.230 nan 0.000 0.464 376 T N 1.199 115.755 114.554 0.004 0.000 2.665 376 T HA -0.182 4.167 4.350 -0.000 0.000 0.268 376 T C 1.615 176.310 174.700 -0.007 0.000 1.035 376 T CA 1.712 63.812 62.100 -0.000 0.000 1.151 376 T CB -0.346 68.497 68.868 -0.041 0.000 0.862 376 T HN 0.493 nan 8.240 nan 0.000 0.438 377 I N 0.429 120.912 120.570 -0.145 0.000 2.315 377 I HA -0.129 4.041 4.170 -0.000 0.000 0.248 377 I C 2.407 178.507 176.117 -0.029 0.000 1.117 377 I CA 0.871 62.105 61.300 -0.110 0.000 1.404 377 I CB -0.246 37.641 38.000 -0.190 0.000 1.071 377 I HN 0.118 nan 8.210 nan 0.000 0.419 378 V N 0.499 120.392 119.914 -0.034 0.000 2.379 378 V HA -0.211 3.909 4.120 -0.000 0.000 0.245 378 V C 2.576 178.679 176.094 0.015 0.000 1.044 378 V CA 2.101 64.390 62.300 -0.018 0.000 1.036 378 V CB -0.360 31.445 31.823 -0.029 0.000 0.664 378 V HN 0.572 nan 8.190 nan 0.000 0.453 379 S N -0.706 115.009 115.700 0.026 0.000 2.436 379 S HA -0.124 4.346 4.470 -0.000 0.000 0.228 379 S C 1.968 176.528 174.600 -0.065 0.000 1.014 379 S CA 0.909 59.101 58.200 -0.013 0.000 0.950 379 S CB -0.560 62.587 63.200 -0.089 0.000 0.784 379 S HN 0.407 nan 8.310 nan 0.000 0.504 380 F N 2.785 122.647 119.950 -0.147 0.000 2.234 380 F HA 0.242 4.769 4.527 -0.000 0.000 0.299 380 F C 2.557 178.260 175.800 -0.161 0.000 1.087 380 F CA 0.487 58.379 58.000 -0.179 0.000 1.340 380 F CB -0.517 38.405 39.000 -0.131 0.000 1.031 380 F HN 0.182 nan 8.300 nan 0.000 0.500 381 R N -0.807 119.767 120.500 0.123 0.000 2.073 381 R HA -0.149 4.191 4.340 -0.000 0.000 0.234 381 R C 2.615 178.916 176.300 0.002 0.000 1.134 381 R CA 1.494 57.612 56.100 0.030 0.000 0.952 381 R CB -0.655 29.633 30.300 -0.019 0.000 0.850 381 R HN 0.212 nan 8.270 nan 0.000 0.433 382 S N -0.130 115.570 115.700 -0.001 0.000 2.359 382 S HA -0.226 4.244 4.470 -0.000 0.000 0.223 382 S C 1.941 176.545 174.600 0.007 0.000 1.039 382 S CA 1.570 59.784 58.200 0.023 0.000 1.042 382 S CB -0.341 62.972 63.200 0.189 0.000 0.915 382 S HN 0.556 nan 8.310 nan 0.000 0.439 383 A N 1.952 124.628 122.820 -0.240 0.000 1.865 383 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 383 A C 1.987 179.584 177.584 0.022 0.000 1.191 383 A CA 2.035 53.812 52.037 -0.434 0.000 0.623 383 A CB -1.049 17.475 19.000 -0.793 0.000 0.826 383 A HN 0.608 nan 8.150 nan 0.000 0.444 384 N N -0.016 118.729 118.700 0.076 0.000 2.166 384 N HA -0.075 4.664 4.740 -0.000 0.000 0.186 384 N C 1.627 177.187 175.510 0.084 0.000 1.019 384 N CA 1.213 54.323 53.050 0.099 0.000 0.856 384 N CB -0.505 38.024 38.487 0.069 0.000 0.993 384 N HN 0.510 nan 8.380 nan 0.000 0.426 385 L N 0.077 121.337 121.223 0.061 0.000 2.056 385 L HA -0.087 4.253 4.340 -0.000 0.000 0.207 385 L C 1.956 178.903 176.870 0.129 0.000 1.078 385 L CA 0.716 55.613 54.840 0.095 0.000 0.749 385 L CB -0.207 41.852 42.059 -0.000 0.000 0.901 385 L HN -0.008 nan 8.230 nan 0.000 0.433 386 V N -0.421 119.555 119.914 0.103 0.000 2.809 386 V HA -0.157 3.962 4.120 -0.000 0.000 0.256 386 V C 2.554 178.834 176.094 0.311 0.000 1.080 386 V CA 1.341 63.705 62.300 0.107 0.000 1.102 386 V CB -0.475 31.442 31.823 0.156 0.000 0.705 386 V HN 0.437 nan 8.190 nan 0.000 0.475 387 A N 0.310 123.330 122.820 0.333 0.000 1.873 387 A HA -0.036 4.284 4.320 -0.000 0.000 0.215 387 A C 2.459 180.106 177.584 0.105 0.000 1.186 387 A CA 1.794 53.950 52.037 0.198 0.000 0.616 387 A CB -0.734 18.279 19.000 0.022 0.000 0.823 387 A HN 0.516 nan 8.150 nan 0.000 0.442 388 A N 0.021 122.882 122.820 0.069 0.000 1.851 388 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 388 A C 2.506 180.078 177.584 -0.020 0.000 1.195 388 A CA 3.047 55.102 52.037 0.031 0.000 0.622 388 A CB -1.618 17.409 19.000 0.044 0.000 0.831 388 A HN 0.809 nan 8.150 nan 0.000 0.444 389 T N -1.959 112.494 114.554 -0.169 0.000 2.821 389 T HA -0.115 4.235 4.350 -0.000 0.000 0.267 389 T C 1.758 176.443 174.700 -0.026 0.000 1.046 389 T CA 1.475 63.317 62.100 -0.431 0.000 1.139 389 T CB -0.476 67.629 68.868 -1.272 0.000 0.871 389 T HN 0.258 nan 8.240 nan 0.000 0.454 390 L N 2.254 123.586 121.223 0.181 0.000 2.093 390 L HA 0.290 4.630 4.340 -0.000 0.000 0.208 390 L C 2.677 179.669 176.870 0.204 0.000 1.085 390 L CA 1.975 57.036 54.840 0.368 0.000 0.755 390 L CB -1.259 41.102 42.059 0.503 0.000 0.904 390 L HN 0.364 nan 8.230 nan 0.000 0.435 391 G N -1.011 107.870 108.800 0.135 0.000 2.462 391 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.220 391 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.220 391 G C 1.570 176.508 174.900 0.063 0.000 1.121 391 G CA 0.770 45.919 45.100 0.082 0.000 0.758 391 G HN 0.642 nan 8.290 nan 0.000 0.559 392 A N 0.533 123.405 122.820 0.087 0.000 1.930 392 A HA 0.160 4.480 4.320 -0.000 0.000 0.217 392 A C 2.332 179.930 177.584 0.023 0.000 1.175 392 A CA 0.930 53.019 52.037 0.085 0.000 0.627 392 A CB -0.237 18.900 19.000 0.229 0.000 0.815 392 A HN 0.373 nan 8.150 nan 0.000 0.443 393 I N -0.329 120.262 120.570 0.035 0.000 2.546 393 I HA -0.182 3.988 4.170 -0.000 0.000 0.255 393 I C 2.193 178.246 176.117 -0.106 0.000 1.163 393 I CA 0.669 61.885 61.300 -0.139 0.000 1.457 393 I CB -0.147 37.784 38.000 -0.116 0.000 1.092 393 I HN 0.312 nan 8.210 nan 0.000 0.434 394 L N 0.110 121.325 121.223 -0.014 0.000 2.023 394 L HA -0.164 4.175 4.340 -0.000 0.000 0.205 394 L C 2.278 179.137 176.870 -0.018 0.000 1.073 394 L CA 1.137 55.974 54.840 -0.005 0.000 0.745 394 L CB -0.851 41.222 42.059 0.023 0.000 0.900 394 L HN 0.279 nan 8.230 nan 0.000 0.435 395 N N 0.477 119.168 118.700 -0.015 0.000 2.094 395 N HA -0.244 4.496 4.740 -0.000 0.000 0.191 395 N C 1.924 177.411 175.510 -0.040 0.000 1.023 395 N CA 1.403 54.441 53.050 -0.021 0.000 0.857 395 N CB -0.338 38.138 38.487 -0.017 0.000 1.013 395 N HN 0.220 nan 8.380 nan 0.000 0.426 396 R N 1.272 121.730 120.500 -0.071 0.000 2.081 396 R HA 0.040 4.379 4.340 -0.000 0.000 0.235 396 R C 2.231 178.502 176.300 -0.048 0.000 1.131 396 R CA 1.008 57.051 56.100 -0.095 0.000 0.960 396 R CB -0.682 29.506 30.300 -0.186 0.000 0.856 396 R HN 0.200 nan 8.270 nan 0.000 0.436 397 L N 0.407 121.613 121.223 -0.029 0.000 2.093 397 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 397 L C 2.824 179.704 176.870 0.017 0.000 1.085 397 L CA 1.704 56.559 54.840 0.025 0.000 0.755 397 L CB -0.483 41.599 42.059 0.037 0.000 0.904 397 L HN 0.320 nan 8.230 nan 0.000 0.435 398 R N 0.105 120.606 120.500 0.002 0.000 2.096 398 R HA -0.181 4.159 4.340 -0.000 0.000 0.235 398 R C 1.557 177.859 176.300 0.004 0.000 1.127 398 R CA 1.909 58.011 56.100 0.004 0.000 0.968 398 R CB -0.171 30.128 30.300 -0.002 0.000 0.861 398 R HN 0.292 nan 8.270 nan 0.000 0.440 399 D N 0.407 120.803 120.400 -0.006 0.000 2.123 399 D HA -0.086 4.554 4.640 -0.000 0.000 0.200 399 D C 1.472 177.776 176.300 0.008 0.000 0.976 399 D CA 0.886 54.882 54.000 -0.007 0.000 0.831 399 D CB -0.374 40.408 40.800 -0.030 0.000 0.974 399 D HN 0.227 nan 8.370 nan 0.000 0.469 400 N N 0.711 119.416 118.700 0.009 0.000 2.166 400 N HA -0.099 4.641 4.740 -0.000 0.000 0.186 400 N C 1.253 176.796 175.510 0.055 0.000 1.019 400 N CA 0.863 53.939 53.050 0.043 0.000 0.856 400 N CB -0.018 38.502 38.487 0.054 0.000 0.993 400 N HN 0.204 nan 8.380 nan 0.000 0.426 401 K N -0.580 119.844 120.400 0.040 0.000 2.444 401 K HA 0.203 4.523 4.320 -0.000 0.000 0.193 401 K C 1.027 177.645 176.600 0.029 0.000 1.024 401 K CA 0.403 56.712 56.287 0.037 0.000 1.077 401 K CB 0.194 32.714 32.500 0.035 0.000 0.833 401 K HN 0.168 nan 8.250 nan 0.000 0.517 402 G N 1.560 110.375 108.800 0.026 0.000 2.216 402 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.269 402 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.269 402 G C 0.210 175.120 174.900 0.016 0.000 0.981 402 G CA 0.996 46.109 45.100 0.021 0.000 0.658 402 G HN 0.338 nan 8.290 nan 0.000 0.539 403 T N 1.926 116.490 114.554 0.016 0.000 2.884 403 T HA 0.438 4.788 4.350 -0.000 0.000 0.298 403 T C -0.191 174.514 174.700 0.008 0.000 0.998 403 T CA -0.379 61.728 62.100 0.013 0.000 1.124 403 T CB 1.921 70.798 68.868 0.015 0.000 0.931 403 T HN 0.131 nan 8.240 nan 0.000 0.531 404 P HA -0.059 nan 4.420 nan 0.000 0.217 404 P C 0.431 177.732 177.300 0.002 0.000 1.150 404 P CA 0.946 64.048 63.100 0.004 0.000 0.832 404 P CB 0.525 32.227 31.700 0.004 0.000 0.787 405 R N -0.203 120.298 120.500 0.002 0.000 2.599 405 R HA 0.509 4.848 4.340 -0.000 0.000 0.295 405 R C -0.945 175.354 176.300 -0.002 0.000 0.963 405 R CA -1.023 55.077 56.100 -0.001 0.000 0.883 405 R CB 1.295 31.593 30.300 -0.003 0.000 1.171 405 R HN -0.026 nan 8.270 nan 0.000 0.450 406 L N 3.477 124.697 121.223 -0.005 0.000 2.307 406 L HA 0.520 4.860 4.340 -0.000 0.000 0.282 406 L C -0.813 176.045 176.870 -0.021 0.000 1.051 406 L CA -0.195 54.641 54.840 -0.007 0.000 0.804 406 L CB 1.022 43.078 42.059 -0.006 0.000 1.197 406 L HN 0.485 nan 8.230 nan 0.000 0.431 407 R N 3.865 124.353 120.500 -0.021 0.000 2.473 407 R HA 0.537 4.877 4.340 -0.000 0.000 0.303 407 R C -1.472 174.802 176.300 -0.045 0.000 1.002 407 R CA -0.133 55.935 56.100 -0.054 0.000 0.884 407 R CB 1.350 31.607 30.300 -0.070 0.000 1.173 407 R HN 0.873 nan 8.270 nan 0.000 0.464 408 T N 1.099 115.608 114.554 -0.075 0.000 2.792 408 T HA 0.490 4.840 4.350 -0.000 0.000 0.303 408 T C -1.367 173.263 174.700 -0.117 0.000 1.310 408 T CA -0.171 61.899 62.100 -0.050 0.000 1.007 408 T CB 1.782 70.633 68.868 -0.028 0.000 1.335 408 T HN 0.426 nan 8.240 nan 0.000 0.504 409 T N 2.009 116.517 114.554 -0.077 0.000 2.812 409 T HA 0.627 4.977 4.350 -0.000 0.000 0.282 409 T C -0.808 173.806 174.700 -0.143 0.000 0.990 409 T CA -0.416 61.609 62.100 -0.126 0.000 0.960 409 T CB 1.250 70.102 68.868 -0.025 0.000 0.948 409 T HN 0.478 nan 8.240 nan 0.000 0.438 410 V N 2.813 122.554 119.914 -0.287 0.000 2.398 410 V HA 0.646 4.766 4.120 -0.000 0.000 0.286 410 V C 0.824 176.907 176.094 -0.019 0.000 1.026 410 V CA -0.804 61.380 62.300 -0.192 0.000 0.868 410 V CB 1.653 33.245 31.823 -0.385 0.000 0.982 410 V HN 1.018 nan 8.190 nan 0.000 0.443 411 G N 4.215 113.032 108.800 0.029 0.000 2.338 411 G HA2 0.535 4.495 3.960 -0.000 0.000 0.295 411 G HA3 0.535 4.495 3.960 -0.000 0.000 0.295 411 G C -0.587 174.344 174.900 0.052 0.000 1.132 411 G CA -0.171 44.960 45.100 0.051 0.000 0.922 411 G HN 0.555 nan 8.290 nan 0.000 0.427 412 V N 2.440 122.387 119.914 0.054 0.000 2.769 412 V HA 0.756 4.876 4.120 -0.000 0.000 0.312 412 V C -0.416 175.618 176.094 -0.101 0.000 1.058 412 V CA -0.758 61.494 62.300 -0.080 0.000 0.952 412 V CB 2.114 33.777 31.823 -0.267 0.000 1.019 412 V HN 0.744 nan 8.190 nan 0.000 0.445 413 D N -0.301 120.003 120.400 -0.160 0.000 2.742 413 D HA 0.637 5.277 4.640 -0.000 0.000 0.262 413 D C -0.617 175.629 176.300 -0.090 0.000 1.240 413 D CA 0.836 54.788 54.000 -0.079 0.000 0.752 413 D CB 2.069 42.843 40.800 -0.043 0.000 1.290 413 D HN 1.146 nan 8.370 nan 0.000 0.420 414 G N -0.162 108.616 108.800 -0.037 0.000 2.634 414 G HA2 0.287 4.247 3.960 -0.000 0.000 0.568 414 G HA3 0.287 4.247 3.960 -0.000 0.000 0.568 414 G C 0.693 175.580 174.900 -0.020 0.000 1.495 414 G CA 0.421 45.494 45.100 -0.045 0.000 0.903 414 G HN 0.710 nan 8.290 nan 0.000 0.646 415 S N 1.332 117.009 115.700 -0.038 0.000 2.370 415 S HA -0.173 4.297 4.470 -0.000 0.000 0.226 415 S C 2.370 176.935 174.600 -0.059 0.000 1.033 415 S CA 1.870 60.048 58.200 -0.036 0.000 1.011 415 S CB -0.260 62.915 63.200 -0.041 0.000 0.852 415 S HN 1.457 nan 8.310 nan 0.000 0.457 416 L N 0.843 121.997 121.223 -0.115 0.000 1.970 416 L HA -0.032 4.308 4.340 -0.000 0.000 0.212 416 L C 2.319 179.034 176.870 -0.259 0.000 1.071 416 L CA 1.949 56.666 54.840 -0.205 0.000 0.751 416 L CB -1.460 40.394 42.059 -0.342 0.000 0.889 416 L HN 0.378 nan 8.230 nan 0.000 0.432 417 Y N 0.349 120.391 120.300 -0.430 0.000 2.165 417 Y HA -0.298 4.252 4.550 -0.000 0.000 0.286 417 Y C 2.481 178.304 175.900 -0.128 0.000 1.155 417 Y CA 2.328 60.220 58.100 -0.347 0.000 1.164 417 Y CB -0.106 38.178 38.460 -0.292 0.000 0.978 417 Y HN 0.212 nan 8.280 nan 0.000 0.513 418 K N -1.117 119.340 120.400 0.094 0.000 2.296 418 K HA -0.053 4.267 4.320 -0.000 0.000 0.200 418 K C 1.803 178.395 176.600 -0.014 0.000 1.048 418 K CA 1.526 57.850 56.287 0.062 0.000 0.966 418 K CB 0.013 32.566 32.500 0.089 0.000 0.754 418 K HN 0.525 nan 8.250 nan 0.000 0.466 419 T N -3.222 111.313 114.554 -0.031 0.000 2.971 419 T HA 0.041 4.391 4.350 -0.000 0.000 0.252 419 T C 0.557 175.235 174.700 -0.037 0.000 1.022 419 T CA -0.308 61.770 62.100 -0.036 0.000 0.980 419 T CB -0.050 68.794 68.868 -0.039 0.000 1.044 419 T HN 0.031 nan 8.240 nan 0.000 0.501 420 H N 3.711 122.713 119.070 -0.114 0.000 2.848 420 H HA 0.208 4.764 4.556 -0.000 0.000 0.317 420 H C -1.495 173.784 175.328 -0.081 0.000 1.046 420 H CA -1.536 54.463 56.048 -0.081 0.000 1.470 420 H CB 1.859 31.586 29.762 -0.058 0.000 1.483 420 H HN 0.080 nan 8.280 nan 0.000 0.548 421 P HA -0.121 nan 4.420 nan 0.000 0.218 421 P C 0.654 177.978 177.300 0.040 0.000 1.149 421 P CA 1.091 64.163 63.100 -0.046 0.000 0.817 421 P CB 0.592 32.228 31.700 -0.107 0.000 0.785 422 Q N -2.488 117.442 119.800 0.217 0.000 2.350 422 Q HA 0.043 4.383 4.340 -0.000 0.000 0.225 422 Q C 2.031 177.983 176.000 -0.080 0.000 0.878 422 Q CA 0.085 55.925 55.803 0.061 0.000 0.935 422 Q CB -0.771 27.982 28.738 0.026 0.000 1.099 422 Q HN 0.273 nan 8.270 nan 0.000 0.527 423 Y N 2.405 122.601 120.300 -0.173 0.000 2.030 423 Y HA -0.348 4.202 4.550 -0.000 0.000 0.274 423 Y C 2.839 178.511 175.900 -0.380 0.000 1.153 423 Y CA 2.317 60.186 58.100 -0.384 0.000 1.115 423 Y CB -0.300 37.908 38.460 -0.419 0.000 0.969 423 Y HN 0.144 nan 8.280 nan 0.000 0.488 424 S N -0.217 115.299 115.700 -0.306 0.000 2.380 424 S HA -0.342 4.128 4.470 -0.000 0.000 0.229 424 S C 2.162 176.568 174.600 -0.324 0.000 1.050 424 S CA 2.170 60.064 58.200 -0.510 0.000 1.100 424 S CB -0.405 62.521 63.200 -0.458 0.000 0.984 424 S HN 0.508 nan 8.310 nan 0.000 0.434 425 R N 0.138 120.536 120.500 -0.172 0.000 2.083 425 R HA -0.025 4.315 4.340 -0.000 0.000 0.237 425 R C 2.792 179.010 176.300 -0.137 0.000 1.137 425 R CA 1.810 57.859 56.100 -0.085 0.000 0.951 425 R CB -0.313 29.949 30.300 -0.062 0.000 0.851 425 R HN 0.424 nan 8.270 nan 0.000 0.434 426 R N -0.454 119.877 120.500 -0.281 0.000 2.081 426 R HA -0.137 4.203 4.340 -0.000 0.000 0.235 426 R C 2.149 178.331 176.300 -0.197 0.000 1.131 426 R CA 1.513 57.395 56.100 -0.363 0.000 0.960 426 R CB -0.428 29.311 30.300 -0.936 0.000 0.856 426 R HN 0.181 nan 8.270 nan 0.000 0.436 427 F N 1.246 120.933 119.950 -0.439 0.000 2.102 427 F HA -0.240 4.287 4.527 -0.000 0.000 0.298 427 F C 2.215 177.901 175.800 -0.190 0.000 1.105 427 F CA 1.700 59.489 58.000 -0.351 0.000 1.239 427 F CB -0.259 38.493 39.000 -0.414 0.000 0.991 427 F HN 0.044 nan 8.300 nan 0.000 0.474 428 H N 0.314 119.251 119.070 -0.222 0.000 2.357 428 H HA -0.109 4.447 4.556 -0.000 0.000 0.301 428 H C 2.298 177.519 175.328 -0.178 0.000 1.082 428 H CA 1.666 57.541 56.048 -0.288 0.000 1.342 428 H CB -0.715 28.982 29.762 -0.108 0.000 1.389 428 H HN 0.295 nan 8.280 nan 0.000 0.511 429 K N 0.263 120.674 120.400 0.018 0.000 2.001 429 K HA -0.149 4.171 4.320 -0.000 0.000 0.214 429 K C 2.157 178.759 176.600 0.002 0.000 1.050 429 K CA 2.175 58.476 56.287 0.024 0.000 0.934 429 K CB -0.072 32.455 32.500 0.045 0.000 0.718 429 K HN 0.139 nan 8.250 nan 0.000 0.443 430 T N 1.644 116.196 114.554 -0.003 0.000 2.720 430 T HA -0.172 4.178 4.350 -0.000 0.000 0.268 430 T C 1.664 176.333 174.700 -0.053 0.000 1.037 430 T CA 1.412 63.511 62.100 -0.001 0.000 1.144 430 T CB -0.261 68.631 68.868 0.039 0.000 0.864 430 T HN 0.175 nan 8.240 nan 0.000 0.444 431 L N 1.045 122.178 121.223 -0.149 0.000 2.046 431 L HA 0.029 4.369 4.340 -0.000 0.000 0.208 431 L C 2.419 179.260 176.870 -0.047 0.000 1.077 431 L CA 1.708 56.460 54.840 -0.147 0.000 0.747 431 L CB -0.411 41.452 42.059 -0.326 0.000 0.896 431 L HN 0.042 nan 8.230 nan 0.000 0.432 432 R N -1.171 119.314 120.500 -0.026 0.000 2.237 432 R HA -0.101 4.238 4.340 -0.000 0.000 0.219 432 R C 2.301 178.603 176.300 0.004 0.000 1.080 432 R CA 1.011 57.114 56.100 0.005 0.000 0.995 432 R CB -0.137 30.173 30.300 0.017 0.000 0.875 432 R HN 0.358 nan 8.270 nan 0.000 0.462 433 R N 0.004 120.503 120.500 -0.001 0.000 2.189 433 R HA 0.080 4.420 4.340 -0.000 0.000 0.203 433 R C 1.680 177.981 176.300 0.001 0.000 1.012 433 R CA 0.441 56.543 56.100 0.002 0.000 1.015 433 R CB 0.285 30.588 30.300 0.004 0.000 0.938 433 R HN 0.166 nan 8.270 nan 0.000 0.472 434 L N 0.015 121.237 121.223 -0.001 0.000 2.221 434 L HA 0.141 4.481 4.340 -0.000 0.000 0.202 434 L C 0.310 177.184 176.870 0.006 0.000 1.074 434 L CA 0.378 55.220 54.840 0.003 0.000 0.795 434 L CB 0.577 42.639 42.059 0.004 0.000 0.960 434 L HN -0.096 nan 8.230 nan 0.000 0.458 435 V N 1.561 121.480 119.914 0.008 0.000 2.239 435 V HA 0.169 4.289 4.120 -0.000 0.000 0.267 435 V C -1.542 174.557 176.094 0.009 0.000 1.056 435 V CA -0.840 61.467 62.300 0.011 0.000 0.830 435 V CB 0.596 32.431 31.823 0.019 0.000 1.090 435 V HN 0.083 nan 8.190 nan 0.000 0.459 436 P HA 0.013 nan 4.420 nan 0.000 0.216 436 P C 0.426 177.728 177.300 0.003 0.000 1.156 436 P CA 0.656 63.758 63.100 0.005 0.000 0.855 436 P CB 0.305 32.007 31.700 0.004 0.000 0.786 437 D N 0.609 121.010 120.400 0.002 0.000 2.767 437 D HA 0.248 4.888 4.640 -0.000 0.000 0.231 437 D C -0.216 176.082 176.300 -0.003 0.000 1.105 437 D CA 0.248 54.248 54.000 -0.000 0.000 1.024 437 D CB -0.631 40.169 40.800 -0.000 0.000 1.123 437 D HN 0.127 nan 8.370 nan 0.000 0.470 438 S N 0.510 116.208 115.700 -0.004 0.000 2.580 438 S HA 0.311 4.781 4.470 -0.000 0.000 0.281 438 S C -2.036 172.555 174.600 -0.015 0.000 1.129 438 S CA -1.314 56.880 58.200 -0.010 0.000 0.862 438 S CB 1.523 64.718 63.200 -0.008 0.000 1.090 438 S HN 0.087 nan 8.310 nan 0.000 0.451 439 D N 1.392 121.773 120.400 -0.031 0.000 2.453 439 D HA 0.503 5.143 4.640 -0.000 0.000 0.238 439 D C -0.481 175.776 176.300 -0.072 0.000 1.088 439 D CA -0.597 53.380 54.000 -0.040 0.000 0.854 439 D CB 1.333 42.107 40.800 -0.044 0.000 1.076 439 D HN 0.428 nan 8.370 nan 0.000 0.533 440 V N 2.539 122.406 119.914 -0.078 0.000 2.427 440 V HA 0.424 4.544 4.120 -0.000 0.000 0.286 440 V C 0.603 176.559 176.094 -0.230 0.000 1.034 440 V CA -0.871 61.316 62.300 -0.188 0.000 0.893 440 V CB 1.584 33.270 31.823 -0.229 0.000 0.982 440 V HN 0.483 nan 8.190 nan 0.000 0.452 441 R N 3.278 123.606 120.500 -0.286 0.000 2.294 441 R HA 0.504 4.844 4.340 -0.000 0.000 0.319 441 R C -1.700 174.422 176.300 -0.298 0.000 0.984 441 R CA -0.510 55.479 56.100 -0.186 0.000 0.861 441 R CB 0.846 31.080 30.300 -0.110 0.000 1.104 441 R HN 0.560 nan 8.270 nan 0.000 0.451 442 F N 4.947 124.914 119.950 0.029 0.000 2.361 442 F HA 0.311 4.838 4.527 -0.000 0.000 0.364 442 F C -0.303 175.552 175.800 0.093 0.000 1.117 442 F CA -0.724 57.330 58.000 0.091 0.000 1.071 442 F CB 1.194 40.299 39.000 0.175 0.000 1.188 442 F HN 0.265 nan 8.300 nan 0.000 0.464 443 L N 5.025 126.370 121.223 0.202 0.000 2.272 443 L HA 0.422 4.762 4.340 -0.000 0.000 0.289 443 L C -0.693 176.273 176.870 0.159 0.000 1.032 443 L CA -0.528 54.404 54.840 0.154 0.000 0.810 443 L CB 0.928 43.044 42.059 0.095 0.000 1.205 443 L HN 0.380 nan 8.230 nan 0.000 0.422 444 L N 3.649 124.968 121.223 0.160 0.000 2.379 444 L HA 0.617 4.957 4.340 -0.000 0.000 0.269 444 L C -0.055 176.871 176.870 0.095 0.000 1.084 444 L CA 0.005 54.928 54.840 0.137 0.000 0.802 444 L CB 1.562 43.727 42.059 0.177 0.000 1.175 444 L HN 0.806 nan 8.230 nan 0.000 0.448 445 S N 1.719 117.460 115.700 0.068 0.000 2.513 445 S HA 0.537 5.007 4.470 -0.000 0.000 0.299 445 S C 0.395 175.017 174.600 0.037 0.000 1.087 445 S CA -0.764 57.465 58.200 0.049 0.000 1.012 445 S CB 2.084 65.303 63.200 0.032 0.000 1.044 445 S HN 0.567 nan 8.310 nan 0.000 0.485 446 E N 1.961 122.179 120.200 0.029 0.000 1.992 446 E HA -0.084 4.266 4.350 -0.000 0.000 0.202 446 E C 1.838 178.442 176.600 0.007 0.000 1.007 446 E CA 1.597 58.008 56.400 0.018 0.000 0.857 446 E CB -0.461 29.244 29.700 0.009 0.000 0.796 446 E HN 0.637 nan 8.360 nan 0.000 0.486 447 S N -1.795 113.903 115.700 -0.004 0.000 2.470 447 S HA 0.059 4.528 4.470 -0.000 0.000 0.225 447 S C 1.618 176.213 174.600 -0.009 0.000 1.006 447 S CA 0.988 59.182 58.200 -0.010 0.000 0.934 447 S CB -0.526 62.663 63.200 -0.020 0.000 0.778 447 S HN 0.538 nan 8.310 nan 0.000 0.517 448 G N 0.619 109.415 108.800 -0.006 0.000 3.019 448 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.231 448 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.231 448 G C 1.046 175.937 174.900 -0.016 0.000 1.225 448 G CA 1.246 46.342 45.100 -0.006 0.000 0.845 448 G HN 0.877 nan 8.290 nan 0.000 0.527 449 S N 0.684 116.373 115.700 -0.018 0.000 2.559 449 S HA 0.461 4.931 4.470 -0.000 0.000 0.226 449 S C 1.982 176.572 174.600 -0.017 0.000 1.000 449 S CA 1.084 59.272 58.200 -0.019 0.000 0.948 449 S CB 0.892 64.082 63.200 -0.016 0.000 0.870 449 S HN 1.138 nan 8.310 nan 0.000 0.497 450 G N 2.601 111.388 108.800 -0.022 0.000 2.425 450 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.213 450 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.213 450 G C 1.300 176.173 174.900 -0.046 0.000 1.201 450 G CA 0.363 45.446 45.100 -0.028 0.000 0.799 450 G HN 0.401 nan 8.290 nan 0.000 0.534 451 K N 0.675 121.040 120.400 -0.058 0.000 2.288 451 K HA 0.014 4.333 4.320 -0.000 0.000 0.201 451 K C 2.508 179.043 176.600 -0.108 0.000 1.048 451 K CA 0.872 57.103 56.287 -0.093 0.000 0.956 451 K CB -0.296 32.132 32.500 -0.121 0.000 0.746 451 K HN 0.262 nan 8.250 nan 0.000 0.461 452 G N 0.784 109.540 108.800 -0.074 0.000 2.434 452 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.214 452 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.214 452 G C 1.547 176.396 174.900 -0.085 0.000 1.202 452 G CA 0.835 45.896 45.100 -0.064 0.000 0.788 452 G HN 0.354 nan 8.290 nan 0.000 0.539 453 A N 1.039 123.815 122.820 -0.073 0.000 2.032 453 A HA 0.186 4.506 4.320 -0.000 0.000 0.221 453 A C 2.729 180.202 177.584 -0.185 0.000 1.165 453 A CA 2.313 54.301 52.037 -0.081 0.000 0.645 453 A CB -0.625 18.361 19.000 -0.023 0.000 0.807 453 A HN 0.805 nan 8.150 nan 0.000 0.453 454 A N -0.880 121.799 122.820 -0.235 0.000 1.930 454 A HA -0.053 4.267 4.320 -0.000 0.000 0.217 454 A C 2.164 179.409 177.584 -0.564 0.000 1.175 454 A CA 1.687 53.434 52.037 -0.483 0.000 0.627 454 A CB -0.409 18.429 19.000 -0.270 0.000 0.815 454 A HN 0.453 nan 8.150 nan 0.000 0.443 455 M N -0.707 118.730 119.600 -0.272 0.000 2.254 455 M HA -0.049 4.431 4.480 -0.000 0.000 0.265 455 M C 2.132 178.352 176.300 -0.133 0.000 1.066 455 M CA 1.086 56.293 55.300 -0.154 0.000 1.123 455 M CB -0.896 31.674 32.600 -0.050 0.000 1.388 455 M HN 0.247 nan 8.290 nan 0.000 0.425 456 V N -0.009 119.823 119.914 -0.137 0.000 2.407 456 V HA -0.178 3.941 4.120 -0.000 0.000 0.245 456 V C 2.402 178.425 176.094 -0.117 0.000 1.041 456 V CA 1.779 64.026 62.300 -0.089 0.000 1.040 456 V CB -0.672 31.115 31.823 -0.061 0.000 0.671 456 V HN 0.443 nan 8.190 nan 0.000 0.455 457 T N 0.380 114.798 114.554 -0.226 0.000 2.684 457 T HA -0.218 4.131 4.350 -0.000 0.000 0.267 457 T C 2.069 176.663 174.700 -0.176 0.000 1.036 457 T CA 1.758 63.715 62.100 -0.237 0.000 1.148 457 T CB -0.469 68.142 68.868 -0.429 0.000 0.863 457 T HN 0.571 nan 8.240 nan 0.000 0.436 458 A N 1.056 123.668 122.820 -0.346 0.000 1.869 458 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 458 A C 2.572 180.240 177.584 0.139 0.000 1.203 458 A CA 2.243 54.307 52.037 0.045 0.000 0.638 458 A CB -1.260 17.786 19.000 0.078 0.000 0.831 458 A HN 0.385 nan 8.150 nan 0.000 0.450 459 V N -0.320 119.626 119.914 0.054 0.000 2.407 459 V HA -0.220 3.900 4.120 -0.000 0.000 0.248 459 V C 2.999 179.123 176.094 0.051 0.000 1.055 459 V CA 1.937 64.270 62.300 0.055 0.000 1.049 459 V CB -1.421 30.418 31.823 0.027 0.000 0.662 459 V HN 0.666 nan 8.190 nan 0.000 0.455 460 A N -0.841 122.008 122.820 0.049 0.000 1.877 460 A HA -0.248 4.072 4.320 -0.000 0.000 0.216 460 A C 2.184 179.830 177.584 0.103 0.000 1.186 460 A CA 1.938 54.004 52.037 0.047 0.000 0.620 460 A CB -0.767 18.256 19.000 0.038 0.000 0.822 460 A HN 0.545 nan 8.150 nan 0.000 0.443 461 Y N 0.414 120.725 120.300 0.020 0.000 2.145 461 Y HA -0.226 4.323 4.550 -0.000 0.000 0.286 461 Y C 2.526 178.433 175.900 0.012 0.000 1.145 461 Y CA 1.972 60.096 58.100 0.041 0.000 1.148 461 Y CB -0.591 37.940 38.460 0.119 0.000 0.981 461 Y HN 0.383 nan 8.280 nan 0.000 0.507 462 R N 0.164 120.721 120.500 0.094 0.000 2.143 462 R HA -0.240 4.100 4.340 -0.000 0.000 0.239 462 R C 2.212 178.440 176.300 -0.120 0.000 1.126 462 R CA 2.749 58.840 56.100 -0.015 0.000 0.927 462 R CB -0.853 29.471 30.300 0.040 0.000 0.860 462 R HN 0.459 nan 8.270 nan 0.000 0.433 463 L N 0.201 121.368 121.223 -0.092 0.000 2.261 463 L HA -0.129 4.211 4.340 -0.000 0.000 0.216 463 L C 2.633 179.400 176.870 -0.171 0.000 1.114 463 L CA 1.017 55.774 54.840 -0.139 0.000 0.777 463 L CB -0.569 41.429 42.059 -0.102 0.000 0.910 463 L HN 0.419 nan 8.230 nan 0.000 0.440 464 A N -0.391 122.324 122.820 -0.176 0.000 1.929 464 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 464 A C 2.249 179.692 177.584 -0.234 0.000 1.176 464 A CA 1.002 52.926 52.037 -0.188 0.000 0.628 464 A CB -0.143 18.743 19.000 -0.190 0.000 0.816 464 A HN 0.267 nan 8.150 nan 0.000 0.444 465 E N 0.149 120.150 120.200 -0.331 0.000 2.107 465 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 465 E C 2.156 178.554 176.600 -0.336 0.000 0.982 465 E CA 0.935 57.142 56.400 -0.321 0.000 0.809 465 E CB -0.436 29.069 29.700 -0.325 0.000 0.756 465 E HN 0.731 nan 8.360 nan 0.000 0.459 466 Q N -0.161 119.380 119.800 -0.431 0.000 2.096 466 Q HA -0.190 4.149 4.340 -0.000 0.000 0.204 466 Q C 2.237 177.881 176.000 -0.595 0.000 0.982 466 Q CA 1.283 56.618 55.803 -0.779 0.000 0.850 466 Q CB -0.281 27.977 28.738 -0.799 0.000 0.901 466 Q HN 0.466 nan 8.270 nan 0.000 0.422 467 H N 0.478 119.292 119.070 -0.427 0.000 2.389 467 H HA -0.038 4.518 4.556 -0.000 0.000 0.299 467 H C 2.196 177.376 175.328 -0.245 0.000 1.081 467 H CA 0.988 56.851 56.048 -0.308 0.000 1.345 467 H CB 0.246 29.871 29.762 -0.228 0.000 1.393 467 H HN 0.068 nan 8.280 nan 0.000 0.520 468 R N 0.908 121.286 120.500 -0.203 0.000 2.081 468 R HA -0.113 4.227 4.340 -0.000 0.000 0.235 468 R C 2.196 178.368 176.300 -0.213 0.000 1.131 468 R CA 1.376 57.361 56.100 -0.192 0.000 0.960 468 R CB -0.024 30.192 30.300 -0.140 0.000 0.856 468 R HN 0.555 nan 8.270 nan 0.000 0.436 469 Q N 0.156 119.818 119.800 -0.230 0.000 1.965 469 Q HA -0.131 4.209 4.340 -0.000 0.000 0.200 469 Q C 2.340 178.253 176.000 -0.146 0.000 0.981 469 Q CA 1.765 57.477 55.803 -0.150 0.000 0.834 469 Q CB -0.216 28.445 28.738 -0.128 0.000 0.900 469 Q HN 0.345 nan 8.270 nan 0.000 0.426 470 I N 1.234 121.625 120.570 -0.297 0.000 2.236 470 I HA -0.307 3.863 4.170 -0.000 0.000 0.249 470 I C 2.241 178.280 176.117 -0.130 0.000 1.102 470 I CA 1.072 62.206 61.300 -0.276 0.000 1.365 470 I CB -0.320 37.404 38.000 -0.460 0.000 1.051 470 I HN 0.220 nan 8.210 nan 0.000 0.420 471 E N 0.588 120.623 120.200 -0.275 0.000 2.150 471 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 471 E C 2.047 178.566 176.600 -0.136 0.000 0.985 471 E CA 1.108 57.363 56.400 -0.241 0.000 0.814 471 E CB -0.118 29.368 29.700 -0.357 0.000 0.752 471 E HN 0.578 nan 8.360 nan 0.000 0.466 472 E N -0.127 120.002 120.200 -0.118 0.000 2.072 472 E HA -0.087 4.263 4.350 -0.000 0.000 0.190 472 E C 2.045 178.536 176.600 -0.182 0.000 0.982 472 E CA 1.341 57.669 56.400 -0.119 0.000 0.803 472 E CB 0.033 29.692 29.700 -0.068 0.000 0.755 472 E HN 0.104 nan 8.360 nan 0.000 0.453 473 T N 1.338 115.889 114.554 -0.004 0.000 2.684 473 T HA -0.126 4.223 4.350 -0.000 0.000 0.267 473 T C 1.732 176.528 174.700 0.159 0.000 1.036 473 T CA 0.905 63.092 62.100 0.145 0.000 1.148 473 T CB -0.133 69.022 68.868 0.479 0.000 0.863 473 T HN 0.113 nan 8.240 nan 0.000 0.436 474 L N 0.642 121.974 121.223 0.181 0.000 2.478 474 L HA 0.132 4.472 4.340 -0.000 0.000 0.223 474 L C 2.829 179.826 176.870 0.211 0.000 1.140 474 L CA 0.312 55.309 54.840 0.262 0.000 0.842 474 L CB -0.622 41.507 42.059 0.117 0.000 0.953 474 L HN 0.224 nan 8.230 nan 0.000 0.452 475 A N -0.515 122.299 122.820 -0.010 0.000 1.969 475 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 475 A C 1.969 179.600 177.584 0.079 0.000 1.169 475 A CA 1.087 53.116 52.037 -0.013 0.000 0.635 475 A CB -0.565 18.366 19.000 -0.116 0.000 0.810 475 A HN 0.401 nan 8.150 nan 0.000 0.445 476 H N -1.456 117.691 119.070 0.129 0.000 2.456 476 H HA -0.070 4.486 4.556 -0.000 0.000 0.296 476 H C 1.249 176.521 175.328 -0.094 0.000 1.079 476 H CA 1.008 57.044 56.048 -0.019 0.000 1.322 476 H CB -0.429 29.260 29.762 -0.122 0.000 1.388 476 H HN 0.624 nan 8.280 nan 0.000 0.538 477 F N -0.094 119.969 119.950 0.188 0.000 2.780 477 F HA 0.007 4.534 4.527 -0.000 0.000 0.299 477 F C 1.084 176.949 175.800 0.108 0.000 1.146 477 F CA 0.095 58.170 58.000 0.125 0.000 1.428 477 F CB -0.178 38.874 39.000 0.086 0.000 1.115 477 F HN 0.111 nan 8.300 nan 0.000 0.583 478 H N 1.548 120.722 119.070 0.172 0.000 2.782 478 H HA 0.288 4.844 4.556 -0.000 0.000 0.285 478 H C -0.435 174.933 175.328 0.066 0.000 1.093 478 H CA -0.443 55.664 56.048 0.099 0.000 1.410 478 H CB 0.218 30.019 29.762 0.065 0.000 1.439 478 H HN -0.175 nan 8.280 nan 0.000 0.469 479 L N 5.403 126.412 121.223 -0.356 0.000 2.307 479 L HA 0.246 4.586 4.340 -0.000 0.000 0.282 479 L C 0.736 177.344 176.870 -0.438 0.000 1.051 479 L CA -0.338 54.339 54.840 -0.272 0.000 0.804 479 L CB 1.252 43.233 42.059 -0.131 0.000 1.197 479 L HN 0.812 nan 8.230 nan 0.000 0.431 480 T N -0.796 113.623 114.554 -0.225 0.000 2.934 480 T HA 0.216 4.566 4.350 -0.000 0.000 0.283 480 T C 1.029 175.684 174.700 -0.075 0.000 1.005 480 T CA -0.729 61.291 62.100 -0.133 0.000 1.041 480 T CB 1.606 70.465 68.868 -0.015 0.000 1.042 480 T HN 0.617 nan 8.240 nan 0.000 0.505 481 K N 0.305 120.682 120.400 -0.039 0.000 2.286 481 K HA -0.181 4.138 4.320 -0.000 0.000 0.203 481 K C 1.028 177.622 176.600 -0.011 0.000 1.045 481 K CA 1.533 57.808 56.287 -0.020 0.000 0.935 481 K CB -0.155 32.344 32.500 -0.002 0.000 0.737 481 K HN 0.621 nan 8.250 nan 0.000 0.460 482 D N 0.114 120.509 120.400 -0.008 0.000 2.162 482 D HA -0.057 4.583 4.640 -0.000 0.000 0.205 482 D C 1.910 178.207 176.300 -0.006 0.000 0.964 482 D CA 0.917 54.915 54.000 -0.003 0.000 0.847 482 D CB 0.058 40.860 40.800 0.002 0.000 0.988 482 D HN 0.254 nan 8.370 nan 0.000 0.480 483 M N 0.433 120.025 119.600 -0.014 0.000 2.117 483 M HA -0.092 4.388 4.480 -0.000 0.000 0.262 483 M C 2.306 178.603 176.300 -0.007 0.000 1.065 483 M CA 0.988 56.280 55.300 -0.014 0.000 1.114 483 M CB -0.161 32.423 32.600 -0.025 0.000 1.361 483 M HN -0.047 nan 8.290 nan 0.000 0.408 484 L N -0.203 121.012 121.223 -0.013 0.000 2.127 484 L HA -0.225 4.115 4.340 -0.000 0.000 0.211 484 L C 2.250 179.126 176.870 0.010 0.000 1.089 484 L CA 1.082 55.922 54.840 -0.000 0.000 0.757 484 L CB -0.691 41.361 42.059 -0.011 0.000 0.899 484 L HN 0.387 nan 8.230 nan 0.000 0.434 485 L N -1.043 120.183 121.223 0.005 0.000 2.156 485 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 485 L C 2.664 179.539 176.870 0.009 0.000 1.095 485 L CA 0.698 55.542 54.840 0.007 0.000 0.770 485 L CB -0.391 41.670 42.059 0.004 0.000 0.914 485 L HN 0.245 nan 8.230 nan 0.000 0.439 486 E N 0.127 120.334 120.200 0.011 0.000 2.047 486 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 486 E C 2.337 178.959 176.600 0.036 0.000 0.987 486 E CA 1.009 57.418 56.400 0.015 0.000 0.799 486 E CB -0.049 29.656 29.700 0.008 0.000 0.752 486 E HN 0.227 nan 8.360 nan 0.000 0.449 487 V N 1.935 121.877 119.914 0.047 0.000 2.332 487 V HA -0.279 3.840 4.120 -0.000 0.000 0.248 487 V C 2.617 178.755 176.094 0.073 0.000 1.055 487 V CA 2.185 64.547 62.300 0.103 0.000 1.038 487 V CB -0.470 31.413 31.823 0.100 0.000 0.651 487 V HN 0.264 nan 8.190 nan 0.000 0.450 488 K N 0.149 120.561 120.400 0.019 0.000 2.097 488 K HA -0.235 4.085 4.320 -0.000 0.000 0.205 488 K C 2.262 178.838 176.600 -0.039 0.000 1.050 488 K CA 1.786 58.058 56.287 -0.025 0.000 0.938 488 K CB -0.152 32.344 32.500 -0.007 0.000 0.718 488 K HN 0.367 nan 8.250 nan 0.000 0.442 489 K N 0.541 120.936 120.400 -0.008 0.000 2.002 489 K HA -0.122 4.198 4.320 -0.000 0.000 0.209 489 K C 2.234 178.831 176.600 -0.005 0.000 1.048 489 K CA 1.528 57.810 56.287 -0.008 0.000 0.930 489 K CB 0.048 32.550 32.500 0.004 0.000 0.714 489 K HN 0.144 nan 8.250 nan 0.000 0.438 490 R N -0.071 120.453 120.500 0.039 0.000 2.081 490 R HA -0.139 4.200 4.340 -0.000 0.000 0.235 490 R C 2.338 178.657 176.300 0.031 0.000 1.131 490 R CA 1.562 57.722 56.100 0.099 0.000 0.960 490 R CB -0.369 30.056 30.300 0.208 0.000 0.856 490 R HN 0.232 nan 8.270 nan 0.000 0.436 491 M N 1.139 120.617 119.600 -0.204 0.000 2.080 491 M HA -0.168 4.311 4.480 -0.000 0.000 0.260 491 M C 2.118 178.216 176.300 -0.337 0.000 1.068 491 M CA 1.737 56.604 55.300 -0.723 0.000 1.109 491 M CB -0.254 31.855 32.600 -0.818 0.000 1.342 491 M HN -0.139 nan 8.290 nan 0.000 0.405 492 R N 0.021 120.408 120.500 -0.188 0.000 2.105 492 R HA -0.065 4.275 4.340 -0.000 0.000 0.239 492 R C 2.028 178.287 176.300 -0.067 0.000 1.135 492 R CA 1.917 57.950 56.100 -0.113 0.000 0.967 492 R CB -0.731 29.523 30.300 -0.077 0.000 0.861 492 R HN 0.556 nan 8.270 nan 0.000 0.442 493 A N 0.321 123.115 122.820 -0.044 0.000 1.898 493 A HA -0.091 4.228 4.320 -0.000 0.000 0.216 493 A C 1.909 179.491 177.584 -0.003 0.000 1.181 493 A CA 1.339 53.369 52.037 -0.011 0.000 0.620 493 A CB -0.394 18.611 19.000 0.009 0.000 0.819 493 A HN 0.295 nan 8.150 nan 0.000 0.442 494 E N -0.011 120.182 120.200 -0.012 0.000 2.077 494 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 494 E C 2.087 178.685 176.600 -0.002 0.000 0.989 494 E CA 1.355 57.760 56.400 0.009 0.000 0.800 494 E CB -0.487 29.222 29.700 0.015 0.000 0.746 494 E HN 0.720 nan 8.360 nan 0.000 0.452 495 M N 0.600 120.179 119.600 -0.035 0.000 2.082 495 M HA -0.193 4.287 4.480 -0.000 0.000 0.258 495 M C 2.052 178.375 176.300 0.037 0.000 1.069 495 M CA 1.502 56.807 55.300 0.008 0.000 1.102 495 M CB -0.400 32.189 32.600 -0.017 0.000 1.336 495 M HN 0.020 nan 8.290 nan 0.000 0.404 496 E N 0.630 120.842 120.200 0.021 0.000 2.051 496 E HA -0.162 4.188 4.350 -0.000 0.000 0.192 496 E C 2.139 178.763 176.600 0.039 0.000 0.991 496 E CA 1.236 57.654 56.400 0.030 0.000 0.799 496 E CB -0.479 29.231 29.700 0.016 0.000 0.748 496 E HN 0.569 nan 8.360 nan 0.000 0.449 497 L N 0.435 121.679 121.223 0.034 0.000 2.079 497 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 497 L C 2.533 179.441 176.870 0.063 0.000 1.081 497 L CA 1.382 56.246 54.840 0.039 0.000 0.752 497 L CB -0.793 41.283 42.059 0.028 0.000 0.896 497 L HN 0.212 nan 8.230 nan 0.000 0.433 498 G N -0.475 108.369 108.800 0.073 0.000 2.511 498 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.217 498 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.217 498 G C 1.633 176.649 174.900 0.192 0.000 1.133 498 G CA 0.147 45.324 45.100 0.129 0.000 0.792 498 G HN 0.215 nan 8.290 nan 0.000 0.539 499 L N -0.329 120.956 121.223 0.105 0.000 2.127 499 L HA 0.205 4.545 4.340 -0.000 0.000 0.203 499 L C 1.484 178.378 176.870 0.039 0.000 1.080 499 L CA 0.024 54.900 54.840 0.059 0.000 0.768 499 L CB -0.095 41.990 42.059 0.043 0.000 0.924 499 L HN 0.020 nan 8.230 nan 0.000 0.444 500 R N 1.009 121.539 120.500 0.051 0.000 2.570 500 R HA -0.067 4.273 4.340 -0.000 0.000 0.277 500 R C 1.075 177.407 176.300 0.052 0.000 1.039 500 R CA 0.121 56.244 56.100 0.038 0.000 1.065 500 R CB 0.573 30.895 30.300 0.037 0.000 0.964 500 R HN 0.090 nan 8.270 nan 0.000 0.428 501 K N 2.265 122.679 120.400 0.023 0.000 2.217 501 K HA -0.170 4.149 4.320 -0.000 0.000 0.202 501 K C 1.688 178.317 176.600 0.049 0.000 1.051 501 K CA 1.150 57.450 56.287 0.022 0.000 0.952 501 K CB 0.232 32.728 32.500 -0.007 0.000 0.736 501 K HN 0.512 nan 8.250 nan 0.000 0.453 502 Q N 0.069 119.893 119.800 0.040 0.000 2.369 502 Q HA -0.073 4.267 4.340 -0.000 0.000 0.206 502 Q C 0.609 176.636 176.000 0.045 0.000 0.963 502 Q CA 1.567 57.392 55.803 0.036 0.000 0.894 502 Q CB 0.372 29.124 28.738 0.024 0.000 0.965 502 Q HN 0.419 nan 8.270 nan 0.000 0.475 503 T N -4.830 109.761 114.554 0.062 0.000 3.087 503 T HA 0.032 4.381 4.350 -0.000 0.000 0.283 503 T C 1.035 175.773 174.700 0.064 0.000 0.956 503 T CA 0.187 62.317 62.100 0.051 0.000 0.894 503 T CB -0.236 68.653 68.868 0.035 0.000 1.160 503 T HN 0.341 nan 8.240 nan 0.000 0.532 504 H N 2.881 121.956 119.070 0.008 0.000 2.319 504 H HA -0.020 4.536 4.556 -0.000 0.000 0.297 504 H C 2.049 177.384 175.328 0.012 0.000 1.097 504 H CA 2.240 58.293 56.048 0.009 0.000 1.285 504 H CB -0.336 29.428 29.762 0.004 0.000 1.368 504 H HN 0.278 nan 8.280 nan 0.000 0.495 505 N N -0.075 118.622 118.700 -0.005 0.000 2.364 505 N HA -0.124 4.616 4.740 -0.000 0.000 0.183 505 N C 0.510 175.962 175.510 -0.097 0.000 1.022 505 N CA 0.956 53.971 53.050 -0.059 0.000 0.883 505 N CB -0.010 38.505 38.487 0.047 0.000 0.965 505 N HN 0.549 nan 8.380 nan 0.000 0.438 506 N N 0.123 118.779 118.700 -0.074 0.000 2.205 506 N HA 0.100 4.840 4.740 -0.000 0.000 0.201 506 N C -0.117 175.357 175.510 -0.059 0.000 1.128 506 N CA -0.077 52.942 53.050 -0.053 0.000 0.867 506 N CB 0.855 39.329 38.487 -0.022 0.000 0.996 506 N HN 0.058 nan 8.380 nan 0.000 0.503 507 A N 0.715 123.477 122.820 -0.097 0.000 2.371 507 A HA 0.333 4.652 4.320 -0.000 0.000 0.257 507 A C 1.535 179.081 177.584 -0.063 0.000 1.089 507 A CA -0.439 51.558 52.037 -0.067 0.000 0.794 507 A CB 0.576 19.535 19.000 -0.067 0.000 1.029 507 A HN 0.027 nan 8.150 nan 0.000 0.488 508 V N 0.858 120.768 119.914 -0.006 0.000 2.725 508 V HA 0.081 4.201 4.120 -0.000 0.000 0.247 508 V C 0.708 176.835 176.094 0.054 0.000 1.058 508 V CA 0.664 62.975 62.300 0.019 0.000 1.080 508 V CB -0.726 31.122 31.823 0.040 0.000 0.713 508 V HN 0.410 nan 8.190 nan 0.000 0.465 509 V N 2.686 122.642 119.914 0.069 0.000 2.258 509 V HA 0.323 4.442 4.120 -0.000 0.000 0.258 509 V C 1.459 177.592 176.094 0.065 0.000 1.121 509 V CA -0.398 61.962 62.300 0.099 0.000 0.942 509 V CB 0.449 32.328 31.823 0.094 0.000 1.170 509 V HN 0.311 nan 8.190 nan 0.000 0.487 510 K N 3.290 123.721 120.400 0.052 0.000 2.160 510 K HA -0.040 4.279 4.320 -0.000 0.000 0.206 510 K C 1.104 177.785 176.600 0.136 0.000 1.047 510 K CA 0.663 56.972 56.287 0.035 0.000 0.930 510 K CB -0.199 32.326 32.500 0.041 0.000 0.720 510 K HN 0.667 nan 8.250 nan 0.000 0.450 511 M N 0.339 120.006 119.600 0.111 0.000 2.516 511 M HA -0.244 4.236 4.480 -0.000 0.000 0.183 511 M C -0.721 175.614 176.300 0.058 0.000 0.928 511 M CA 0.622 55.977 55.300 0.091 0.000 0.573 511 M CB -2.505 30.159 32.600 0.107 0.000 1.126 511 M HN -0.017 nan 8.290 nan 0.000 0.859 512 L N 2.400 123.644 121.223 0.035 0.000 2.371 512 L HA 0.431 4.771 4.340 -0.000 0.000 0.272 512 L C -1.611 175.178 176.870 -0.135 0.000 1.124 512 L CA -1.736 53.094 54.840 -0.015 0.000 0.816 512 L CB 0.536 42.607 42.059 0.021 0.000 1.129 512 L HN 0.128 nan 8.230 nan 0.000 0.448 513 P HA 0.125 nan 4.420 nan 0.000 0.285 513 P C 0.031 177.048 177.300 -0.471 0.000 1.259 513 P CA -0.570 62.255 63.100 -0.458 0.000 0.794 513 P CB 1.420 32.690 31.700 -0.717 0.000 0.940 514 S N 2.047 117.548 115.700 -0.331 0.000 2.501 514 S HA 0.053 4.523 4.470 -0.000 0.000 0.220 514 S C 0.638 175.249 174.600 0.019 0.000 0.997 514 S CA -0.032 58.095 58.200 -0.122 0.000 0.919 514 S CB -0.969 62.181 63.200 -0.083 0.000 0.778 514 S HN 0.315 nan 8.310 nan 0.000 0.523 515 F N -0.374 119.542 119.950 -0.057 0.000 2.884 515 F HA -0.153 4.374 4.527 -0.000 0.000 0.294 515 F C -0.091 175.681 175.800 -0.047 0.000 0.723 515 F CA 0.207 58.178 58.000 -0.049 0.000 1.294 515 F CB -2.160 36.816 39.000 -0.040 0.000 1.551 515 F HN 0.116 nan 8.300 nan 0.000 0.363 516 V N 1.285 121.223 119.914 0.041 0.000 2.304 516 V HA 0.205 4.325 4.120 -0.000 0.000 0.262 516 V C 1.336 177.418 176.094 -0.020 0.000 1.061 516 V CA -0.095 62.213 62.300 0.013 0.000 0.872 516 V CB 1.201 33.014 31.823 -0.017 0.000 1.077 516 V HN 0.201 nan 8.190 nan 0.000 0.480 517 R N 2.970 123.471 120.500 0.002 0.000 2.310 517 R HA 0.230 4.570 4.340 -0.000 0.000 0.202 517 R C 0.835 177.124 176.300 -0.019 0.000 0.933 517 R CA 0.213 56.305 56.100 -0.014 0.000 1.054 517 R CB 0.285 30.590 30.300 0.008 0.000 0.985 517 R HN 0.600 nan 8.270 nan 0.000 0.489 518 R N 0.291 120.781 120.500 -0.016 0.000 2.634 518 R HA 0.104 4.444 4.340 -0.000 0.000 0.263 518 R C -1.270 175.023 176.300 -0.011 0.000 1.060 518 R CA -0.423 55.670 56.100 -0.013 0.000 0.898 518 R CB 1.329 31.627 30.300 -0.003 0.000 1.253 518 R HN -0.009 nan 8.270 nan 0.000 0.461 519 T N 1.331 115.882 114.554 -0.005 0.000 2.849 519 T HA 0.445 4.795 4.350 -0.000 0.000 0.284 519 T C -2.276 172.441 174.700 0.027 0.000 1.004 519 T CA -1.527 60.577 62.100 0.006 0.000 1.021 519 T CB 0.971 69.844 68.868 0.008 0.000 1.013 519 T HN 0.411 nan 8.240 nan 0.000 0.527 520 P HA 0.152 nan 4.420 nan 0.000 0.268 520 P C -0.134 177.223 177.300 0.094 0.000 1.208 520 P CA 0.038 63.200 63.100 0.103 0.000 0.777 520 P CB 0.494 32.333 31.700 0.232 0.000 0.875 521 D N -0.496 119.956 120.400 0.086 0.000 2.500 521 D HA 0.143 4.783 4.640 -0.000 0.000 0.217 521 D C 1.283 177.607 176.300 0.040 0.000 1.159 521 D CA 0.323 54.351 54.000 0.047 0.000 0.828 521 D CB -0.052 40.768 40.800 0.032 0.000 1.039 521 D HN 0.592 nan 8.370 nan 0.000 0.512 522 G N 0.067 108.922 108.800 0.091 0.000 2.254 522 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.225 522 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.225 522 G C 1.301 176.262 174.900 0.102 0.000 1.003 522 G CA 0.460 45.601 45.100 0.068 0.000 0.622 522 G HN 0.315 nan 8.290 nan 0.000 0.507 523 T N 1.494 116.099 114.554 0.085 0.000 2.977 523 T HA 0.125 4.474 4.350 -0.000 0.000 0.271 523 T C 0.874 175.638 174.700 0.107 0.000 1.105 523 T CA 1.495 63.642 62.100 0.079 0.000 1.116 523 T CB -0.105 68.799 68.868 0.060 0.000 0.878 523 T HN 0.646 nan 8.240 nan 0.000 0.509 524 E N 2.397 122.678 120.200 0.136 0.000 2.417 524 E HA 0.326 4.676 4.350 -0.000 0.000 0.261 524 E C -0.098 176.616 176.600 0.190 0.000 1.000 524 E CA 0.126 56.614 56.400 0.147 0.000 0.919 524 E CB 0.152 29.909 29.700 0.095 0.000 0.955 524 E HN 0.345 nan 8.360 nan 0.000 0.455 525 N N 1.474 120.306 118.700 0.220 0.000 2.406 525 N HA 0.655 5.395 4.740 -0.000 0.000 0.283 525 N C -1.022 174.617 175.510 0.215 0.000 1.074 525 N CA -0.065 53.105 53.050 0.201 0.000 0.916 525 N CB 1.499 40.060 38.487 0.123 0.000 1.639 525 N HN 0.521 nan 8.380 nan 0.000 0.485 526 G N 1.325 110.206 108.800 0.135 0.000 2.359 526 G HA2 0.115 4.075 3.960 -0.000 0.000 0.293 526 G HA3 0.115 4.075 3.960 -0.000 0.000 0.293 526 G C -2.239 172.409 174.900 -0.419 0.000 1.300 526 G CA -0.842 44.137 45.100 -0.202 0.000 0.888 526 G HN 0.477 nan 8.290 nan 0.000 0.541 527 D N 0.275 120.246 120.400 -0.714 0.000 2.344 527 D HA 0.702 5.342 4.640 -0.000 0.000 0.239 527 D C -0.767 175.090 176.300 -0.739 0.000 1.064 527 D CA 0.213 53.928 54.000 -0.475 0.000 0.829 527 D CB 1.154 41.812 40.800 -0.236 0.000 1.129 527 D HN 0.236 nan 8.370 nan 0.000 0.506 528 F N 0.830 120.812 119.950 0.054 0.000 2.577 528 F HA 0.516 5.043 4.527 -0.000 0.000 0.318 528 F C 0.075 175.926 175.800 0.085 0.000 1.065 528 F CA -1.028 57.007 58.000 0.059 0.000 0.929 528 F CB 1.371 40.395 39.000 0.041 0.000 1.237 528 F HN -0.037 nan 8.300 nan 0.000 0.468 529 L N 1.924 123.311 121.223 0.273 0.000 2.334 529 L HA 0.913 5.253 4.340 -0.000 0.000 0.272 529 L C -0.385 176.595 176.870 0.184 0.000 1.020 529 L CA -0.796 54.171 54.840 0.211 0.000 0.812 529 L CB 1.827 43.991 42.059 0.174 0.000 1.264 529 L HN 0.810 nan 8.230 nan 0.000 0.439 530 A N 2.375 125.278 122.820 0.137 0.000 2.515 530 A HA 0.792 5.112 4.320 -0.000 0.000 0.298 530 A C -1.791 175.853 177.584 0.100 0.000 1.059 530 A CA -0.443 51.669 52.037 0.126 0.000 0.698 530 A CB 1.790 20.857 19.000 0.112 0.000 1.289 530 A HN 0.499 nan 8.150 nan 0.000 0.404 531 L N 1.360 122.676 121.223 0.154 0.000 2.349 531 L HA 0.656 4.996 4.340 -0.000 0.000 0.278 531 L C -1.201 175.855 176.870 0.311 0.000 0.996 531 L CA -0.099 54.847 54.840 0.177 0.000 0.825 531 L CB 1.767 43.844 42.059 0.030 0.000 1.243 531 L HN 0.671 nan 8.230 nan 0.000 0.412 532 D N 4.677 125.252 120.400 0.292 0.000 2.472 532 D HA 0.292 4.932 4.640 -0.000 0.000 0.234 532 D C -1.438 175.086 176.300 0.373 0.000 1.088 532 D CA -0.168 54.001 54.000 0.281 0.000 0.882 532 D CB 0.809 41.705 40.800 0.160 0.000 1.037 532 D HN 0.410 nan 8.370 nan 0.000 0.520 533 L N 3.542 125.023 121.223 0.431 0.000 2.294 533 L HA 0.751 5.091 4.340 -0.000 0.000 0.283 533 L C 0.569 177.552 176.870 0.189 0.000 1.015 533 L CA -0.002 55.089 54.840 0.419 0.000 0.831 533 L CB 1.503 43.903 42.059 0.569 0.000 1.217 533 L HN 0.459 nan 8.230 nan 0.000 0.420 534 G N 2.285 111.136 108.800 0.085 0.000 5.129 534 G HA2 0.562 4.522 3.960 -0.000 0.000 0.253 534 G HA3 0.562 4.522 3.960 -0.000 0.000 0.253 534 G C -0.040 174.766 174.900 -0.157 0.000 0.912 534 G CA 0.325 45.251 45.100 -0.291 0.000 0.729 534 G HN 1.119 nan 8.290 nan 0.000 0.373 535 G N -0.882 108.051 108.800 0.222 0.000 2.324 535 G HA2 0.355 4.314 3.960 -0.000 0.000 0.293 535 G HA3 0.355 4.314 3.960 -0.000 0.000 0.293 535 G C 0.638 175.854 174.900 0.527 0.000 1.297 535 G CA 0.481 45.844 45.100 0.437 0.000 0.853 535 G HN 0.259 nan 8.290 nan 0.000 0.535 536 T N 0.805 115.541 114.554 0.303 0.000 2.822 536 T HA -0.053 4.297 4.350 -0.000 0.000 0.270 536 T C 0.777 175.637 174.700 0.265 0.000 1.064 536 T CA 1.413 63.611 62.100 0.163 0.000 1.131 536 T CB -0.217 68.674 68.868 0.038 0.000 0.858 536 T HN 0.367 nan 8.240 nan 0.000 0.483 537 N N 1.599 120.451 118.700 0.253 0.000 2.564 537 N HA 0.411 5.151 4.740 -0.000 0.000 0.248 537 N C -0.926 174.747 175.510 0.271 0.000 0.986 537 N CA -0.479 52.698 53.050 0.212 0.000 0.921 537 N CB 1.108 39.642 38.487 0.078 0.000 1.136 537 N HN 0.325 nan 8.380 nan 0.000 0.509 538 F N 0.438 120.481 119.950 0.155 0.000 2.572 538 F HA 0.772 5.299 4.527 -0.000 0.000 0.342 538 F C 0.094 175.973 175.800 0.132 0.000 1.064 538 F CA -1.326 56.764 58.000 0.150 0.000 1.008 538 F CB 0.988 40.104 39.000 0.193 0.000 1.303 538 F HN 0.176 nan 8.300 nan 0.000 0.492 539 R N 0.184 120.649 120.500 -0.058 0.000 2.774 539 R HA 0.825 5.165 4.340 -0.000 0.000 0.272 539 R C -2.142 174.094 176.300 -0.107 0.000 1.000 539 R CA -1.185 54.792 56.100 -0.206 0.000 0.906 539 R CB 1.790 32.006 30.300 -0.140 0.000 1.227 539 R HN 0.550 nan 8.270 nan 0.000 0.468 540 V N 1.889 121.635 119.914 -0.279 0.000 2.769 540 V HA 0.614 4.734 4.120 -0.000 0.000 0.312 540 V C -0.668 175.015 176.094 -0.684 0.000 1.058 540 V CA -0.876 61.171 62.300 -0.421 0.000 0.952 540 V CB 1.564 33.032 31.823 -0.591 0.000 1.019 540 V HN 0.512 nan 8.190 nan 0.000 0.445 541 L N 3.372 124.358 121.223 -0.395 0.000 2.424 541 L HA 0.661 5.001 4.340 -0.000 0.000 0.258 541 L C -1.020 175.984 176.870 0.223 0.000 0.995 541 L CA -0.371 54.403 54.840 -0.110 0.000 0.821 541 L CB 1.959 44.031 42.059 0.021 0.000 1.383 541 L HN 0.560 nan 8.230 nan 0.000 0.410 542 L N 1.962 123.444 121.223 0.431 0.000 2.356 542 L HA 0.864 5.204 4.340 -0.000 0.000 0.277 542 L C -1.357 175.690 176.870 0.295 0.000 0.996 542 L CA -0.341 54.726 54.840 0.380 0.000 0.822 542 L CB 1.874 44.152 42.059 0.366 0.000 1.256 542 L HN 0.319 nan 8.230 nan 0.000 0.413 543 V N 5.088 125.145 119.914 0.239 0.000 2.407 543 V HA 0.457 4.577 4.120 -0.000 0.000 0.291 543 V C -0.347 175.870 176.094 0.204 0.000 1.018 543 V CA -0.796 61.628 62.300 0.207 0.000 0.842 543 V CB 1.445 33.377 31.823 0.183 0.000 0.996 543 V HN 0.649 nan 8.190 nan 0.000 0.426 544 K N 5.886 126.382 120.400 0.160 0.000 2.253 544 K HA 0.630 4.950 4.320 -0.000 0.000 0.277 544 K C -0.934 175.747 176.600 0.134 0.000 1.053 544 K CA -0.313 56.045 56.287 0.118 0.000 0.892 544 K CB 1.747 34.305 32.500 0.097 0.000 1.102 544 K HN 0.550 nan 8.250 nan 0.000 0.469 545 I N 3.897 124.569 120.570 0.170 0.000 2.362 545 I HA 0.306 4.475 4.170 -0.000 0.000 0.289 545 I C -0.156 176.057 176.117 0.160 0.000 0.994 545 I CA -1.012 60.397 61.300 0.181 0.000 1.158 545 I CB 1.215 39.356 38.000 0.235 0.000 1.315 545 I HN 0.245 nan 8.210 nan 0.000 0.451 546 R N 3.757 124.345 120.500 0.146 0.000 2.337 546 R HA 0.230 4.569 4.340 -0.000 0.000 0.319 546 R C 0.144 176.520 176.300 0.128 0.000 0.954 546 R CA -0.754 55.415 56.100 0.116 0.000 0.840 546 R CB 1.562 31.912 30.300 0.083 0.000 1.164 546 R HN 0.676 nan 8.270 nan 0.000 0.472 547 S N 0.546 116.318 115.700 0.120 0.000 3.456 547 S HA 0.187 4.657 4.470 -0.000 0.000 0.229 547 S C 0.805 175.446 174.600 0.067 0.000 1.416 547 S CA -0.362 57.902 58.200 0.107 0.000 1.197 547 S CB -0.110 63.154 63.200 0.106 0.000 1.201 547 S HN 0.592 nan 8.310 nan 0.000 0.479 548 G N 1.515 110.351 108.800 0.059 0.000 2.553 548 G HA2 0.268 4.228 3.960 -0.000 0.000 0.278 548 G HA3 0.268 4.228 3.960 -0.000 0.000 0.278 548 G C 0.676 175.591 174.900 0.026 0.000 1.349 548 G CA -0.641 44.483 45.100 0.039 0.000 1.037 548 G HN 0.463 nan 8.290 nan 0.000 0.508 549 K N -0.855 119.556 120.400 0.018 0.000 2.074 549 K HA -0.114 4.206 4.320 -0.000 0.000 0.209 549 K C 0.874 177.477 176.600 0.004 0.000 1.048 549 K CA 1.364 57.657 56.287 0.009 0.000 0.926 549 K CB -0.067 32.438 32.500 0.008 0.000 0.713 549 K HN 0.168 nan 8.250 nan 0.000 0.444 550 K N 1.222 121.627 120.400 0.009 0.000 2.293 550 K HA 0.211 4.531 4.320 -0.000 0.000 0.267 550 K C -1.148 175.461 176.600 0.014 0.000 1.010 550 K CA -0.547 55.743 56.287 0.005 0.000 0.875 550 K CB 1.037 33.542 32.500 0.009 0.000 1.106 550 K HN 0.040 nan 8.250 nan 0.000 0.450 551 R N 2.352 122.849 120.500 -0.005 0.000 2.480 551 R HA 0.059 4.399 4.340 -0.000 0.000 0.303 551 R C -0.437 175.898 176.300 0.059 0.000 0.985 551 R CA 0.624 56.729 56.100 0.007 0.000 1.051 551 R CB 0.345 30.578 30.300 -0.111 0.000 0.935 551 R HN 0.571 nan 8.270 nan 0.000 0.410 552 T N 2.307 116.929 114.554 0.114 0.000 2.952 552 T HA 0.367 4.717 4.350 -0.000 0.000 0.305 552 T C -1.691 173.099 174.700 0.149 0.000 1.064 552 T CA -0.604 61.565 62.100 0.115 0.000 1.008 552 T CB 1.406 70.319 68.868 0.075 0.000 1.078 552 T HN 0.321 nan 8.240 nan 0.000 0.459 553 V N 5.499 125.496 119.914 0.138 0.000 2.612 553 V HA 0.821 4.941 4.120 -0.000 0.000 0.301 553 V C -1.093 175.045 176.094 0.073 0.000 1.059 553 V CA -0.627 61.742 62.300 0.115 0.000 0.886 553 V CB 1.637 33.527 31.823 0.112 0.000 1.007 553 V HN 1.023 nan 8.190 nan 0.000 0.426 554 E N 7.716 127.955 120.200 0.065 0.000 2.227 554 E HA 0.856 5.206 4.350 -0.000 0.000 0.268 554 E C -0.634 175.981 176.600 0.025 0.000 0.907 554 E CA -1.002 55.411 56.400 0.021 0.000 0.786 554 E CB 2.383 32.102 29.700 0.030 0.000 1.191 554 E HN 0.945 nan 8.360 nan 0.000 0.411 555 M N 0.848 120.392 119.600 -0.093 0.000 2.578 555 M HA 0.558 5.038 4.480 -0.000 0.000 0.276 555 M C -1.921 174.224 176.300 -0.258 0.000 1.245 555 M CA -0.778 54.511 55.300 -0.020 0.000 0.871 555 M CB 2.377 35.013 32.600 0.061 0.000 1.722 555 M HN 0.716 nan 8.290 nan 0.000 0.473 556 H N 0.534 119.704 119.070 0.167 0.000 2.865 556 H HA 0.806 5.362 4.556 -0.000 0.000 0.372 556 H C -1.224 174.292 175.328 0.313 0.000 1.173 556 H CA -0.598 55.584 56.048 0.223 0.000 1.147 556 H CB 1.655 31.553 29.762 0.226 0.000 1.805 556 H HN 0.782 nan 8.280 nan 0.000 0.553 557 N N 0.227 119.172 118.700 0.409 0.000 2.555 557 N HA 0.239 4.979 4.740 -0.000 0.000 0.265 557 N C -1.582 174.010 175.510 0.136 0.000 1.135 557 N CA -0.886 52.281 53.050 0.196 0.000 0.925 557 N CB 2.999 41.503 38.487 0.028 0.000 1.662 557 N HN 0.501 nan 8.380 nan 0.000 0.489 558 K N 1.549 121.913 120.400 -0.060 0.000 2.318 558 K HA 0.591 4.911 4.320 -0.000 0.000 0.249 558 K C -1.111 175.218 176.600 -0.452 0.000 0.942 558 K CA -0.672 55.462 56.287 -0.254 0.000 0.808 558 K CB 1.838 34.118 32.500 -0.366 0.000 1.189 558 K HN 0.550 nan 8.250 nan 0.000 0.428 559 I N 3.799 124.052 120.570 -0.529 0.000 2.392 559 I HA 0.297 4.467 4.170 -0.000 0.000 0.295 559 I C -1.025 174.643 176.117 -0.748 0.000 0.985 559 I CA -0.668 60.343 61.300 -0.483 0.000 1.221 559 I CB 0.876 38.713 38.000 -0.272 0.000 1.366 559 I HN 0.567 nan 8.210 nan 0.000 0.467 560 Y N 3.860 123.842 120.300 -0.530 0.000 2.499 560 Y HA 0.712 5.262 4.550 -0.000 0.000 0.347 560 Y C 0.238 176.040 175.900 -0.163 0.000 0.987 560 Y CA -0.887 56.956 58.100 -0.429 0.000 1.044 560 Y CB 1.840 39.900 38.460 -0.667 0.000 1.245 560 Y HN 0.532 nan 8.280 nan 0.000 0.461 561 A N 2.765 125.723 122.820 0.230 0.000 2.282 561 A HA 0.824 5.144 4.320 -0.000 0.000 0.319 561 A C -0.921 176.921 177.584 0.430 0.000 1.121 561 A CA -0.671 51.524 52.037 0.264 0.000 0.836 561 A CB 0.502 19.580 19.000 0.129 0.000 1.146 561 A HN 0.714 nan 8.150 nan 0.000 0.494 562 I N 2.100 122.819 120.570 0.249 0.000 2.420 562 I HA 0.254 4.424 4.170 -0.000 0.000 0.282 562 I C -2.460 173.568 176.117 -0.147 0.000 1.019 562 I CA -1.989 59.329 61.300 0.031 0.000 1.130 562 I CB 1.844 39.852 38.000 0.013 0.000 1.262 562 I HN 0.375 nan 8.210 nan 0.000 0.454 563 P HA -0.011 nan 4.420 nan 0.000 0.262 563 P C 0.974 178.143 177.300 -0.219 0.000 1.182 563 P CA 0.054 63.049 63.100 -0.176 0.000 0.761 563 P CB 0.847 32.445 31.700 -0.171 0.000 0.795 564 I N 4.235 124.693 120.570 -0.187 0.000 2.185 564 I HA -0.346 3.824 4.170 -0.000 0.000 0.246 564 I C 1.582 177.576 176.117 -0.205 0.000 1.088 564 I CA 1.952 63.122 61.300 -0.217 0.000 1.347 564 I CB -0.457 37.450 38.000 -0.156 0.000 1.041 564 I HN 0.365 nan 8.210 nan 0.000 0.415 565 E N 0.306 120.413 120.200 -0.155 0.000 2.171 565 E HA -0.217 4.132 4.350 -0.000 0.000 0.197 565 E C 2.125 178.636 176.600 -0.149 0.000 0.997 565 E CA 1.725 58.049 56.400 -0.127 0.000 0.810 565 E CB -0.277 29.365 29.700 -0.096 0.000 0.738 565 E HN 0.559 nan 8.360 nan 0.000 0.467 566 I N -0.150 120.298 120.570 -0.203 0.000 2.867 566 I HA -0.034 4.136 4.170 -0.000 0.000 0.265 566 I C 2.042 178.003 176.117 -0.259 0.000 1.162 566 I CA 0.616 61.785 61.300 -0.218 0.000 1.471 566 I CB -0.358 37.455 38.000 -0.312 0.000 1.123 566 I HN 0.194 nan 8.210 nan 0.000 0.440 567 M N 0.530 119.911 119.600 -0.364 0.000 2.159 567 M HA -0.194 4.286 4.480 -0.000 0.000 0.263 567 M C 1.062 177.109 176.300 -0.421 0.000 1.063 567 M CA 1.711 56.670 55.300 -0.568 0.000 1.110 567 M CB -0.252 31.882 32.600 -0.777 0.000 1.374 567 M HN 0.247 nan 8.290 nan 0.000 0.411 568 Q N 0.319 119.952 119.800 -0.278 0.000 2.286 568 Q HA 0.276 4.616 4.340 -0.000 0.000 0.281 568 Q C 0.578 176.517 176.000 -0.102 0.000 0.897 568 Q CA -0.321 55.378 55.803 -0.173 0.000 1.023 568 Q CB 0.190 28.848 28.738 -0.135 0.000 1.151 568 Q HN 0.395 nan 8.270 nan 0.000 0.445 569 G N 1.142 109.882 108.800 -0.100 0.000 2.829 569 G HA2 0.090 4.050 3.960 -0.000 0.000 0.173 569 G HA3 0.090 4.050 3.960 -0.000 0.000 0.173 569 G C 0.690 175.602 174.900 0.019 0.000 1.476 569 G CA 0.220 45.294 45.100 -0.043 0.000 1.072 569 G HN 0.271 nan 8.290 nan 0.000 0.577 570 T N -3.749 110.834 114.554 0.047 0.000 3.176 570 T HA 0.418 4.768 4.350 -0.000 0.000 0.263 570 T C 1.727 176.512 174.700 0.142 0.000 1.021 570 T CA 0.869 63.020 62.100 0.085 0.000 0.905 570 T CB 0.142 69.046 68.868 0.060 0.000 1.057 570 T HN 2.021 nan 8.240 nan 0.000 0.558 571 G N 1.992 110.911 108.800 0.198 0.000 2.451 571 G HA2 -0.439 3.521 3.960 -0.000 0.000 0.253 571 G HA3 -0.439 3.521 3.960 -0.000 0.000 0.253 571 G C 0.792 175.889 174.900 0.329 0.000 1.033 571 G CA 0.965 46.269 45.100 0.340 0.000 0.633 571 G HN 0.657 nan 8.290 nan 0.000 0.537 572 E N 0.567 120.874 120.200 0.178 0.000 2.190 572 E HA 0.135 4.485 4.350 -0.000 0.000 0.191 572 E C 2.196 178.877 176.600 0.134 0.000 0.978 572 E CA 1.145 57.624 56.400 0.132 0.000 0.839 572 E CB -0.047 29.689 29.700 0.061 0.000 0.787 572 E HN 0.704 nan 8.360 nan 0.000 0.473 573 E N 0.220 120.485 120.200 0.109 0.000 2.122 573 E HA -0.100 4.250 4.350 -0.000 0.000 0.190 573 E C 1.994 178.643 176.600 0.081 0.000 0.977 573 E CA 0.362 56.809 56.400 0.078 0.000 0.820 573 E CB 0.003 29.724 29.700 0.035 0.000 0.770 573 E HN 0.174 nan 8.360 nan 0.000 0.462 574 L N 0.504 121.770 121.223 0.071 0.000 1.989 574 L HA -0.145 4.195 4.340 -0.000 0.000 0.211 574 L C 1.799 178.593 176.870 -0.127 0.000 1.071 574 L CA 1.806 56.619 54.840 -0.045 0.000 0.749 574 L CB -0.459 41.559 42.059 -0.067 0.000 0.890 574 L HN 0.010 nan 8.230 nan 0.000 0.431 575 F N -0.604 119.390 119.950 0.073 0.000 2.661 575 F HA -0.050 4.476 4.527 -0.000 0.000 0.298 575 F C 2.112 177.919 175.800 0.012 0.000 1.137 575 F CA 0.691 58.711 58.000 0.033 0.000 1.454 575 F CB -0.376 38.639 39.000 0.025 0.000 1.103 575 F HN 0.166 nan 8.300 nan 0.000 0.577 576 D N -1.220 119.274 120.400 0.158 0.000 2.162 576 D HA -0.152 4.488 4.640 -0.000 0.000 0.203 576 D C 2.030 178.380 176.300 0.082 0.000 0.967 576 D CA 1.146 55.206 54.000 0.099 0.000 0.840 576 D CB -0.219 40.633 40.800 0.088 0.000 0.972 576 D HN 0.304 nan 8.370 nan 0.000 0.482 577 H N 0.286 119.350 119.070 -0.010 0.000 2.326 577 H HA 0.050 4.606 4.556 -0.000 0.000 0.301 577 H C 2.099 177.411 175.328 -0.027 0.000 1.081 577 H CA 1.339 57.378 56.048 -0.015 0.000 1.334 577 H CB -0.264 29.477 29.762 -0.034 0.000 1.385 577 H HN 0.045 nan 8.280 nan 0.000 0.504 578 I N -0.285 120.203 120.570 -0.137 0.000 2.163 578 I HA -0.253 3.917 4.170 -0.000 0.000 0.243 578 I C 2.137 178.190 176.117 -0.107 0.000 1.085 578 I CA 1.187 62.343 61.300 -0.239 0.000 1.347 578 I CB -0.205 37.583 38.000 -0.355 0.000 1.044 578 I HN 0.187 nan 8.210 nan 0.000 0.408 579 V N -0.334 119.560 119.914 -0.032 0.000 2.759 579 V HA -0.246 3.873 4.120 -0.000 0.000 0.256 579 V C 2.494 178.628 176.094 0.068 0.000 1.080 579 V CA 1.824 64.153 62.300 0.049 0.000 1.101 579 V CB -0.332 31.509 31.823 0.029 0.000 0.698 579 V HN 0.394 nan 8.190 nan 0.000 0.477 580 S N -1.246 114.434 115.700 -0.034 0.000 2.368 580 S HA -0.199 4.271 4.470 -0.000 0.000 0.224 580 S C 2.070 176.592 174.600 -0.130 0.000 1.029 580 S CA 1.801 59.974 58.200 -0.046 0.000 0.988 580 S CB -0.361 62.788 63.200 -0.086 0.000 0.838 580 S HN 0.702 nan 8.310 nan 0.000 0.462 581 C N 1.208 120.331 119.300 -0.296 0.000 2.446 581 C HA 0.071 4.530 4.460 -0.000 0.000 0.277 581 C C 2.379 177.085 174.990 -0.472 0.000 1.275 581 C CA 0.339 58.983 59.018 -0.623 0.000 1.727 581 C CB -1.349 25.929 27.740 -0.769 0.000 2.010 581 C HN 0.607 nan 8.230 nan 0.000 0.486 582 I N 0.601 121.072 120.570 -0.166 0.000 2.286 582 I HA -0.183 3.987 4.170 -0.000 0.000 0.248 582 I C 2.676 178.784 176.117 -0.015 0.000 1.115 582 I CA 1.608 62.900 61.300 -0.013 0.000 1.392 582 I CB -0.632 37.432 38.000 0.106 0.000 1.065 582 I HN 0.312 nan 8.210 nan 0.000 0.418 583 S N 0.570 116.297 115.700 0.045 0.000 2.399 583 S HA -0.255 4.215 4.470 -0.000 0.000 0.231 583 S C 1.678 176.259 174.600 -0.032 0.000 1.022 583 S CA 2.089 60.288 58.200 -0.003 0.000 0.983 583 S CB -0.271 63.098 63.200 0.282 0.000 0.803 583 S HN 0.530 nan 8.310 nan 0.000 0.480 584 D N -0.344 120.058 120.400 0.004 0.000 2.091 584 D HA -0.106 4.534 4.640 -0.000 0.000 0.199 584 D C 1.731 178.117 176.300 0.144 0.000 0.980 584 D CA 1.190 55.230 54.000 0.067 0.000 0.831 584 D CB -0.434 40.416 40.800 0.083 0.000 0.987 584 D HN 0.388 nan 8.370 nan 0.000 0.460 585 F N 1.076 121.041 119.950 0.025 0.000 2.091 585 F HA -0.173 4.354 4.527 -0.000 0.000 0.299 585 F C 1.968 177.820 175.800 0.086 0.000 1.103 585 F CA 1.421 59.497 58.000 0.126 0.000 1.228 585 F CB -0.480 38.580 39.000 0.099 0.000 0.984 585 F HN 0.044 nan 8.300 nan 0.000 0.477 586 L N -0.370 120.821 121.223 -0.053 0.000 2.081 586 L HA -0.264 4.076 4.340 -0.000 0.000 0.212 586 L C 2.107 178.855 176.870 -0.203 0.000 1.080 586 L CA 1.579 56.295 54.840 -0.208 0.000 0.754 586 L CB -0.790 41.084 42.059 -0.308 0.000 0.893 586 L HN 0.135 nan 8.230 nan 0.000 0.433 587 D N -1.226 119.103 120.400 -0.117 0.000 2.162 587 D HA -0.187 4.453 4.640 -0.000 0.000 0.203 587 D C 1.897 178.156 176.300 -0.069 0.000 0.967 587 D CA 0.845 54.797 54.000 -0.079 0.000 0.840 587 D CB -0.069 40.719 40.800 -0.021 0.000 0.972 587 D HN 0.271 nan 8.370 nan 0.000 0.482 588 Y N 0.878 121.062 120.300 -0.192 0.000 2.207 588 Y HA -0.167 4.383 4.550 -0.000 0.000 0.287 588 Y C 1.850 177.564 175.900 -0.311 0.000 1.156 588 Y CA 1.388 59.366 58.100 -0.204 0.000 1.182 588 Y CB -0.062 38.299 38.460 -0.165 0.000 0.979 588 Y HN -0.128 nan 8.280 nan 0.000 0.521 589 M N -0.410 118.911 119.600 -0.464 0.000 2.495 589 M HA 0.234 4.714 4.480 -0.000 0.000 0.237 589 M C 1.471 177.554 176.300 -0.362 0.000 1.131 589 M CA 0.926 55.898 55.300 -0.547 0.000 1.032 589 M CB -1.024 31.194 32.600 -0.636 0.000 1.513 589 M HN 0.473 nan 8.290 nan 0.000 0.488 590 G N 2.765 111.403 108.800 -0.270 0.000 2.283 590 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.280 590 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.280 590 G C 0.581 175.380 174.900 -0.169 0.000 1.029 590 G CA 0.731 45.717 45.100 -0.191 0.000 0.840 590 G HN 0.702 nan 8.290 nan 0.000 0.505 591 I N -3.343 117.117 120.570 -0.182 0.000 4.050 591 I HA 0.510 4.680 4.170 -0.000 0.000 0.327 591 I C 0.754 176.791 176.117 -0.133 0.000 1.473 591 I CA -0.668 60.543 61.300 -0.149 0.000 1.124 591 I CB 0.330 38.239 38.000 -0.153 0.000 1.129 591 I HN 0.062 nan 8.210 nan 0.000 0.428 592 K N 1.917 122.232 120.400 -0.142 0.000 2.414 592 K HA 0.402 4.722 4.320 -0.000 0.000 0.272 592 K C 0.920 177.472 176.600 -0.079 0.000 0.993 592 K CA 1.490 57.690 56.287 -0.145 0.000 0.964 592 K CB 0.595 33.010 32.500 -0.143 0.000 0.925 592 K HN 0.526 nan 8.250 nan 0.000 0.487 593 G N 3.289 112.060 108.800 -0.048 0.000 2.650 593 G HA2 -0.137 3.822 3.960 -0.000 0.000 0.193 593 G HA3 -0.137 3.822 3.960 -0.000 0.000 0.193 593 G C -2.183 172.728 174.900 0.018 0.000 2.403 593 G CA -0.371 44.727 45.100 -0.003 0.000 1.493 593 G HN 0.665 nan 8.290 nan 0.000 0.459 594 P HA 0.371 nan 4.420 nan 0.000 0.271 594 P C -0.511 176.809 177.300 0.033 0.000 1.233 594 P CA -0.213 62.892 63.100 0.007 0.000 0.789 594 P CB 0.586 32.276 31.700 -0.017 0.000 0.951 595 R N 1.524 122.047 120.500 0.038 0.000 2.296 595 R HA 0.335 4.675 4.340 -0.000 0.000 0.327 595 R C 0.021 176.346 176.300 0.043 0.000 1.137 595 R CA -0.145 55.991 56.100 0.059 0.000 1.020 595 R CB -0.405 29.925 30.300 0.050 0.000 1.110 595 R HN 0.451 nan 8.270 nan 0.000 0.499 596 M N 5.246 124.876 119.600 0.050 0.000 2.342 596 M HA 0.398 4.878 4.480 -0.000 0.000 0.332 596 M C -1.991 174.357 176.300 0.081 0.000 1.166 596 M CA -2.110 53.211 55.300 0.036 0.000 1.086 596 M CB 1.693 34.306 32.600 0.020 0.000 1.541 596 M HN 0.390 nan 8.290 nan 0.000 0.462 597 P HA 0.384 nan 4.420 nan 0.000 0.284 597 P C -1.598 175.829 177.300 0.212 0.000 1.253 597 P CA -0.423 62.788 63.100 0.185 0.000 0.800 597 P CB 0.765 32.651 31.700 0.310 0.000 0.961 598 L N 1.647 122.977 121.223 0.178 0.000 2.436 598 L HA 0.786 5.126 4.340 -0.000 0.000 0.268 598 L C -0.406 176.558 176.870 0.157 0.000 0.974 598 L CA -0.545 54.394 54.840 0.164 0.000 0.826 598 L CB 1.934 44.067 42.059 0.124 0.000 1.291 598 L HN 0.498 nan 8.230 nan 0.000 0.406 599 G N 2.893 111.789 108.800 0.160 0.000 2.356 599 G HA2 0.484 4.444 3.960 -0.000 0.000 0.322 599 G HA3 0.484 4.444 3.960 -0.000 0.000 0.322 599 G C -1.578 173.483 174.900 0.268 0.000 1.125 599 G CA -0.281 44.919 45.100 0.168 0.000 0.885 599 G HN 0.410 nan 8.290 nan 0.000 0.467 600 F N 2.669 122.678 119.950 0.097 0.000 2.366 600 F HA 0.456 4.982 4.527 -0.000 0.000 0.366 600 F C 0.174 176.072 175.800 0.164 0.000 1.096 600 F CA -1.406 56.675 58.000 0.135 0.000 1.060 600 F CB 1.157 40.230 39.000 0.122 0.000 1.282 600 F HN 0.246 nan 8.300 nan 0.000 0.450 601 T N 7.130 121.968 114.554 0.473 0.000 2.723 601 T HA 0.195 4.545 4.350 -0.000 0.000 0.297 601 T C -0.733 174.105 174.700 0.230 0.000 0.925 601 T CA 0.150 62.389 62.100 0.233 0.000 1.030 601 T CB -0.194 68.783 68.868 0.182 0.000 0.905 601 T HN 0.360 nan 8.240 nan 0.000 0.502 602 F N 3.329 123.173 119.950 -0.176 0.000 2.311 602 F HA 0.344 4.871 4.527 -0.000 0.000 0.371 602 F C 0.573 176.362 175.800 -0.019 0.000 1.083 602 F CA -1.115 56.784 58.000 -0.168 0.000 1.113 602 F CB 0.792 39.505 39.000 -0.480 0.000 1.349 602 F HN 0.387 nan 8.300 nan 0.000 0.470 603 S N 6.197 121.717 115.700 -0.299 0.000 3.456 603 S HA 0.282 4.751 4.470 -0.000 0.000 0.229 603 S C -0.601 173.567 174.600 -0.719 0.000 1.416 603 S CA 0.052 58.006 58.200 -0.411 0.000 1.197 603 S CB -0.898 62.088 63.200 -0.358 0.000 1.201 603 S HN 0.393 nan 8.310 nan 0.000 0.479 604 F N 0.680 120.316 119.950 -0.523 0.000 2.620 604 F HA 0.428 4.955 4.527 -0.000 0.000 0.320 604 F C -2.498 173.211 175.800 -0.153 0.000 1.069 604 F CA -2.771 54.999 58.000 -0.383 0.000 0.953 604 F CB 0.688 39.316 39.000 -0.620 0.000 1.322 604 F HN -0.128 nan 8.300 nan 0.000 0.479 605 P HA 0.037 nan 4.420 nan 0.000 0.250 605 P C -0.759 176.608 177.300 0.112 0.000 1.198 605 P CA -0.035 63.128 63.100 0.105 0.000 1.118 605 P CB -0.351 31.408 31.700 0.098 0.000 1.208 606 C N 2.546 121.921 119.300 0.124 0.000 2.595 606 C HA 0.734 5.193 4.460 -0.000 0.000 0.338 606 C C -0.603 174.431 174.990 0.073 0.000 1.219 606 C CA -0.690 58.400 59.018 0.121 0.000 1.811 606 C CB 1.466 29.332 27.740 0.209 0.000 2.313 606 C HN 0.489 nan 8.230 nan 0.000 0.499 607 Q N 1.458 121.288 119.800 0.050 0.000 2.303 607 Q HA 0.367 4.706 4.340 -0.000 0.000 0.267 607 Q C -0.996 175.041 176.000 0.062 0.000 1.011 607 Q CA -0.011 55.825 55.803 0.055 0.000 0.740 607 Q CB 1.305 30.070 28.738 0.044 0.000 1.250 607 Q HN 0.879 nan 8.270 nan 0.000 0.458 608 Q N 1.228 121.089 119.800 0.101 0.000 2.296 608 Q HA 0.159 4.499 4.340 -0.000 0.000 0.262 608 Q C 0.430 176.595 176.000 0.275 0.000 0.981 608 Q CA 0.458 56.364 55.803 0.171 0.000 0.905 608 Q CB 0.930 29.818 28.738 0.250 0.000 1.186 608 Q HN 0.796 nan 8.270 nan 0.000 0.399 609 T N -1.026 113.617 114.554 0.147 0.000 3.044 609 T HA 0.302 4.652 4.350 -0.000 0.000 0.260 609 T C 0.253 174.783 174.700 -0.282 0.000 1.019 609 T CA 0.127 62.273 62.100 0.077 0.000 0.921 609 T CB 0.539 69.399 68.868 -0.014 0.000 1.053 609 T HN 0.353 nan 8.240 nan 0.000 0.533 610 S N -0.549 114.786 115.700 -0.609 0.000 2.633 610 S HA 0.361 4.831 4.470 -0.000 0.000 0.271 610 S C -0.072 174.115 174.600 -0.687 0.000 1.112 610 S CA -0.499 56.955 58.200 -1.243 0.000 0.828 610 S CB 0.636 63.488 63.200 -0.581 0.000 1.086 610 S HN 0.083 nan 8.310 nan 0.000 0.461 611 L N 2.257 123.162 121.223 -0.529 0.000 2.127 611 L HA 0.102 4.442 4.340 -0.000 0.000 0.211 611 L C 1.346 178.182 176.870 -0.058 0.000 1.089 611 L CA 2.937 57.725 54.840 -0.086 0.000 0.757 611 L CB -0.610 41.438 42.059 -0.019 0.000 0.899 611 L HN 0.844 nan 8.230 nan 0.000 0.434 612 D N -1.377 118.958 120.400 -0.108 0.000 2.525 612 D HA 0.334 4.974 4.640 -0.000 0.000 0.229 612 D C 0.139 176.398 176.300 -0.069 0.000 1.202 612 D CA 0.380 54.349 54.000 -0.052 0.000 0.828 612 D CB 0.097 40.874 40.800 -0.037 0.000 1.008 612 D HN 0.264 nan 8.370 nan 0.000 0.493 613 A N -0.307 122.453 122.820 -0.100 0.000 2.459 613 A HA 0.741 5.061 4.320 -0.000 0.000 0.296 613 A C -0.372 177.161 177.584 -0.085 0.000 1.039 613 A CA -0.400 51.576 52.037 -0.103 0.000 0.698 613 A CB 1.934 20.860 19.000 -0.122 0.000 1.261 613 A HN 0.231 nan 8.150 nan 0.000 0.405 614 G N 1.345 110.080 108.800 -0.107 0.000 2.711 614 G HA2 0.552 4.511 3.960 -0.000 0.000 0.288 614 G HA3 0.552 4.511 3.960 -0.000 0.000 0.288 614 G C -1.287 173.535 174.900 -0.129 0.000 1.451 614 G CA -0.406 44.640 45.100 -0.090 0.000 1.186 614 G HN 0.518 nan 8.290 nan 0.000 0.560 615 I N 1.831 122.352 120.570 -0.082 0.000 2.428 615 I HA 0.304 4.473 4.170 -0.000 0.000 0.289 615 I C 0.312 176.374 176.117 -0.091 0.000 1.019 615 I CA -0.733 60.506 61.300 -0.100 0.000 1.351 615 I CB 1.697 39.652 38.000 -0.075 0.000 1.412 615 I HN 0.434 nan 8.210 nan 0.000 0.513 616 L N 7.710 128.846 121.223 -0.145 0.000 2.313 616 L HA 0.358 4.698 4.340 -0.000 0.000 0.282 616 L C 0.870 177.653 176.870 -0.145 0.000 1.092 616 L CA 0.327 55.086 54.840 -0.135 0.000 0.831 616 L CB 0.267 42.138 42.059 -0.312 0.000 1.159 616 L HN 0.704 nan 8.230 nan 0.000 0.442 617 I N 1.654 122.180 120.570 -0.072 0.000 3.030 617 I HA 0.253 4.423 4.170 -0.000 0.000 0.270 617 I C 0.485 176.564 176.117 -0.063 0.000 1.211 617 I CA 0.534 61.799 61.300 -0.058 0.000 1.479 617 I CB 0.189 38.185 38.000 -0.008 0.000 1.105 617 I HN 0.707 nan 8.210 nan 0.000 0.447 618 T N -0.902 113.608 114.554 -0.073 0.000 3.168 618 T HA 0.211 4.561 4.350 -0.000 0.000 0.373 618 T C -2.060 172.670 174.700 0.050 0.000 1.681 618 T CA -0.647 61.439 62.100 -0.024 0.000 1.135 618 T CB 0.170 69.075 68.868 0.061 0.000 1.477 618 T HN 0.337 nan 8.240 nan 0.000 0.480 619 W N 2.661 124.007 121.300 0.076 0.000 2.184 619 W HA 0.535 5.194 4.660 -0.000 0.000 0.338 619 W C 1.104 177.726 176.519 0.171 0.000 1.257 619 W CA -0.030 57.355 57.345 0.067 0.000 1.243 619 W CB 1.365 30.873 29.460 0.080 0.000 1.122 619 W HN 0.915 nan 8.180 nan 0.000 0.585 620 T N -1.986 112.965 114.554 0.663 0.000 2.731 620 T HA 0.344 4.694 4.350 -0.000 0.000 0.300 620 T C -0.467 174.551 174.700 0.530 0.000 1.283 620 T CA -1.071 61.313 62.100 0.474 0.000 1.005 620 T CB 1.509 70.590 68.868 0.355 0.000 1.420 620 T HN 0.535 nan 8.240 nan 0.000 0.503 621 K N 0.290 120.888 120.400 0.331 0.000 3.035 621 K HA -0.170 4.150 4.320 -0.000 0.000 0.262 621 K C 1.078 177.862 176.600 0.308 0.000 1.024 621 K CA 0.939 57.405 56.287 0.297 0.000 0.748 621 K CB -2.025 30.655 32.500 0.301 0.000 1.247 621 K HN 1.772 nan 8.250 nan 0.000 0.482 622 G N -0.903 108.021 108.800 0.206 0.000 2.199 622 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.254 622 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.254 622 G C 0.088 174.928 174.900 -0.100 0.000 0.982 622 G CA 0.192 45.315 45.100 0.039 0.000 0.632 622 G HN 0.248 nan 8.290 nan 0.000 0.529 623 F N 0.893 120.718 119.950 -0.209 0.000 2.443 623 F HA 0.556 5.083 4.527 -0.000 0.000 0.353 623 F C 1.559 176.965 175.800 -0.657 0.000 1.101 623 F CA 0.351 57.961 58.000 -0.650 0.000 1.226 623 F CB 1.213 39.416 39.000 -1.327 0.000 1.140 623 F HN -0.037 nan 8.300 nan 0.000 0.557 624 K N 1.893 121.998 120.400 -0.492 0.000 2.586 624 K HA 0.334 4.654 4.320 -0.000 0.000 0.198 624 K C -0.039 176.527 176.600 -0.056 0.000 1.170 624 K CA -0.286 55.900 56.287 -0.168 0.000 1.069 624 K CB 0.916 33.385 32.500 -0.052 0.000 0.944 624 K HN 0.606 nan 8.250 nan 0.000 0.572 625 A N 2.495 125.186 122.820 -0.215 0.000 2.598 625 A HA 0.021 4.341 4.320 -0.000 0.000 0.239 625 A C 0.742 178.573 177.584 0.411 0.000 1.032 625 A CA 0.585 52.695 52.037 0.122 0.000 0.760 625 A CB -0.284 18.827 19.000 0.185 0.000 0.946 625 A HN 0.331 nan 8.150 nan 0.000 0.512 626 T N 0.232 114.944 114.554 0.263 0.000 2.904 626 T HA 0.439 4.789 4.350 -0.000 0.000 0.290 626 T C -0.015 174.841 174.700 0.260 0.000 1.018 626 T CA 0.130 62.380 62.100 0.249 0.000 1.075 626 T CB 0.739 69.698 68.868 0.151 0.000 0.986 626 T HN 0.751 nan 8.240 nan 0.000 0.523 627 D N 0.627 121.178 120.400 0.251 0.000 2.699 627 D HA -0.144 4.495 4.640 -0.000 0.000 0.239 627 D C 0.488 177.016 176.300 0.380 0.000 1.136 627 D CA 0.550 54.734 54.000 0.306 0.000 0.668 627 D CB -1.517 39.366 40.800 0.139 0.000 1.060 627 D HN 0.722 nan 8.370 nan 0.000 0.429 628 C N -1.330 118.197 119.300 0.379 0.000 2.854 628 C HA 0.087 4.546 4.460 -0.000 0.000 0.524 628 C C 1.160 176.139 174.990 -0.017 0.000 1.332 628 C CA -0.171 59.000 59.018 0.255 0.000 2.553 628 C CB 0.138 28.059 27.740 0.302 0.000 3.360 628 C HN 0.302 nan 8.230 nan 0.000 0.541 629 V N 2.684 122.487 119.914 -0.185 0.000 2.509 629 V HA 0.372 4.492 4.120 -0.000 0.000 0.297 629 V C 1.437 177.335 176.094 -0.327 0.000 1.014 629 V CA 2.316 64.439 62.300 -0.296 0.000 1.127 629 V CB -0.057 31.638 31.823 -0.214 0.000 0.925 629 V HN 0.911 nan 8.190 nan 0.000 0.480 630 G N 3.880 112.501 108.800 -0.299 0.000 2.241 630 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.244 630 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.244 630 G C 0.038 174.721 174.900 -0.362 0.000 0.998 630 G CA 0.317 45.221 45.100 -0.326 0.000 0.621 630 G HN 0.798 nan 8.290 nan 0.000 0.519 631 H N 0.371 119.359 119.070 -0.137 0.000 2.495 631 H HA 0.539 5.094 4.556 -0.000 0.000 0.350 631 H C -0.372 174.844 175.328 -0.187 0.000 1.202 631 H CA -0.034 55.926 56.048 -0.146 0.000 1.322 631 H CB 1.267 30.940 29.762 -0.148 0.000 1.544 631 H HN 0.155 nan 8.280 nan 0.000 0.565 632 D N 1.365 121.737 120.400 -0.046 0.000 2.365 632 D HA 0.008 4.648 4.640 -0.000 0.000 0.237 632 D C 1.227 177.395 176.300 -0.221 0.000 1.190 632 D CA -0.451 53.468 54.000 -0.135 0.000 0.867 632 D CB 0.812 41.547 40.800 -0.108 0.000 1.050 632 D HN 0.410 nan 8.370 nan 0.000 0.491 633 V N 2.495 122.213 119.914 -0.326 0.000 2.317 633 V HA -0.278 3.842 4.120 -0.000 0.000 0.251 633 V C 1.979 177.924 176.094 -0.247 0.000 1.065 633 V CA 1.693 63.735 62.300 -0.431 0.000 1.049 633 V CB -1.115 30.224 31.823 -0.807 0.000 0.651 633 V HN 0.464 nan 8.190 nan 0.000 0.450 634 V N 0.478 120.315 119.914 -0.129 0.000 2.490 634 V HA -0.223 3.897 4.120 -0.000 0.000 0.250 634 V C 2.730 178.774 176.094 -0.084 0.000 1.061 634 V CA 2.594 64.900 62.300 0.009 0.000 1.064 634 V CB -1.218 30.617 31.823 0.019 0.000 0.670 634 V HN 0.668 nan 8.190 nan 0.000 0.461 635 T N 0.111 114.577 114.554 -0.148 0.000 2.857 635 T HA 0.000 4.350 4.350 -0.000 0.000 0.266 635 T C 1.877 176.436 174.700 -0.235 0.000 1.048 635 T CA 1.075 63.081 62.100 -0.155 0.000 1.139 635 T CB -0.183 68.602 68.868 -0.137 0.000 0.874 635 T HN 0.283 nan 8.240 nan 0.000 0.455 636 L N 0.558 121.546 121.223 -0.391 0.000 2.079 636 L HA -0.093 4.247 4.340 -0.000 0.000 0.210 636 L C 2.430 178.989 176.870 -0.519 0.000 1.081 636 L CA 1.046 55.520 54.840 -0.609 0.000 0.752 636 L CB -0.568 40.773 42.059 -1.196 0.000 0.896 636 L HN 0.273 nan 8.230 nan 0.000 0.433 637 L N -0.113 120.880 121.223 -0.384 0.000 2.044 637 L HA -0.140 4.200 4.340 -0.000 0.000 0.205 637 L C 2.729 179.562 176.870 -0.063 0.000 1.075 637 L CA 1.560 56.360 54.840 -0.066 0.000 0.747 637 L CB -0.429 41.637 42.059 0.013 0.000 0.903 637 L HN 0.033 nan 8.230 nan 0.000 0.435 638 R N -0.332 120.119 120.500 -0.082 0.000 2.105 638 R HA -0.163 4.177 4.340 -0.000 0.000 0.239 638 R C 1.861 178.111 176.300 -0.084 0.000 1.135 638 R CA 1.560 57.619 56.100 -0.068 0.000 0.967 638 R CB -0.486 29.778 30.300 -0.061 0.000 0.861 638 R HN 0.429 nan 8.270 nan 0.000 0.442 639 D N 0.270 120.608 120.400 -0.105 0.000 2.144 639 D HA -0.097 4.543 4.640 -0.000 0.000 0.200 639 D C 1.727 177.981 176.300 -0.076 0.000 0.978 639 D CA 1.435 55.377 54.000 -0.097 0.000 0.833 639 D CB -0.143 40.585 40.800 -0.120 0.000 0.961 639 D HN 0.247 nan 8.370 nan 0.000 0.470 640 A N 0.276 123.062 122.820 -0.056 0.000 1.929 640 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 640 A C 2.297 179.838 177.584 -0.072 0.000 1.176 640 A CA 0.616 52.642 52.037 -0.018 0.000 0.628 640 A CB -0.553 18.493 19.000 0.077 0.000 0.816 640 A HN 0.180 nan 8.150 nan 0.000 0.444 641 I N -0.385 120.125 120.570 -0.101 0.000 2.179 641 I HA -0.268 3.902 4.170 -0.000 0.000 0.242 641 I C 2.569 178.546 176.117 -0.233 0.000 1.088 641 I CA 1.850 63.026 61.300 -0.207 0.000 1.357 641 I CB -0.264 37.632 38.000 -0.174 0.000 1.051 641 I HN 0.356 nan 8.210 nan 0.000 0.409 642 K N 1.195 121.505 120.400 -0.150 0.000 2.147 642 K HA -0.196 4.124 4.320 -0.000 0.000 0.205 642 K C 2.298 178.832 176.600 -0.110 0.000 1.049 642 K CA 1.265 57.477 56.287 -0.125 0.000 0.936 642 K CB -0.050 32.397 32.500 -0.088 0.000 0.722 642 K HN 0.159 nan 8.250 nan 0.000 0.446 643 R N 0.228 120.670 120.500 -0.096 0.000 2.152 643 R HA -0.074 4.266 4.340 -0.000 0.000 0.232 643 R C 2.383 178.636 176.300 -0.079 0.000 1.117 643 R CA 1.253 57.310 56.100 -0.071 0.000 0.981 643 R CB 0.032 30.302 30.300 -0.049 0.000 0.870 643 R HN 0.139 nan 8.270 nan 0.000 0.451 644 R N -0.015 120.411 120.500 -0.123 0.000 2.100 644 R HA -0.040 4.300 4.340 -0.000 0.000 0.220 644 R C 0.380 176.602 176.300 -0.129 0.000 1.091 644 R CA 0.959 56.982 56.100 -0.130 0.000 0.986 644 R CB 0.287 30.465 30.300 -0.204 0.000 0.888 644 R HN 0.180 nan 8.270 nan 0.000 0.444 645 E N -0.948 119.150 120.200 -0.169 0.000 3.253 645 E HA -0.307 4.043 4.350 -0.000 0.000 0.284 645 E C 0.662 177.205 176.600 -0.095 0.000 0.958 645 E CA 1.121 57.447 56.400 -0.122 0.000 0.917 645 E CB -0.688 28.972 29.700 -0.067 0.000 1.466 645 E HN 0.524 nan 8.360 nan 0.000 0.455 646 E N -0.238 119.882 120.200 -0.134 0.000 2.170 646 E HA -0.042 4.308 4.350 -0.000 0.000 0.191 646 E C 0.604 177.296 176.600 0.152 0.000 0.981 646 E CA 1.201 57.618 56.400 0.030 0.000 0.830 646 E CB 0.317 30.106 29.700 0.148 0.000 0.775 646 E HN 0.267 nan 8.360 nan 0.000 0.470 647 F N -1.646 118.304 119.950 0.000 0.000 2.779 647 F HA 0.592 5.118 4.527 -0.000 0.000 0.316 647 F C -1.527 174.274 175.800 0.001 0.000 1.164 647 F CA -1.527 56.473 58.000 0.001 0.000 0.924 647 F CB 1.018 40.020 39.000 0.004 0.000 1.348 647 F HN -0.317 nan 8.300 nan 0.000 0.467 648 D N 0.592 121.118 120.400 0.211 0.000 2.738 648 D HA 0.738 5.378 4.640 -0.000 0.000 0.237 648 D C -1.459 174.957 176.300 0.193 0.000 1.123 648 D CA -0.200 53.859 54.000 0.098 0.000 0.856 648 D CB 2.241 43.066 40.800 0.042 0.000 1.552 648 D HN 0.747 nan 8.370 nan 0.000 0.480 649 L N 1.368 122.675 121.223 0.140 0.000 2.309 649 L HA 0.512 4.852 4.340 -0.000 0.000 0.261 649 L C -0.810 176.111 176.870 0.084 0.000 1.021 649 L CA -1.009 53.915 54.840 0.139 0.000 0.823 649 L CB 1.996 44.157 42.059 0.171 0.000 1.366 649 L HN 0.363 nan 8.230 nan 0.000 0.423 650 D N 1.025 121.476 120.400 0.085 0.000 2.483 650 D HA 0.219 4.859 4.640 -0.000 0.000 0.281 650 D C -0.640 175.707 176.300 0.080 0.000 1.174 650 D CA -0.429 53.613 54.000 0.070 0.000 0.938 650 D CB 0.764 41.606 40.800 0.070 0.000 1.002 650 D HN 0.086 nan 8.370 nan 0.000 0.501 651 V N 3.578 123.534 119.914 0.070 0.000 2.442 651 V HA -0.052 4.068 4.120 -0.000 0.000 0.272 651 V C 1.704 177.844 176.094 0.077 0.000 0.989 651 V CA 0.081 62.431 62.300 0.084 0.000 1.123 651 V CB 0.493 32.364 31.823 0.080 0.000 1.008 651 V HN 0.373 nan 8.190 nan 0.000 0.469 652 V N 3.748 123.716 119.914 0.090 0.000 2.951 652 V HA 0.343 4.463 4.120 -0.000 0.000 0.255 652 V C 0.955 177.083 176.094 0.056 0.000 1.088 652 V CA 1.360 63.700 62.300 0.067 0.000 1.109 652 V CB -0.245 31.623 31.823 0.075 0.000 0.724 652 V HN 0.994 nan 8.190 nan 0.000 0.471 653 A N -0.995 121.877 122.820 0.087 0.000 2.599 653 A HA 0.647 4.967 4.320 -0.000 0.000 0.294 653 A C -1.551 176.111 177.584 0.129 0.000 1.055 653 A CA -0.282 51.803 52.037 0.080 0.000 0.683 653 A CB 1.705 20.739 19.000 0.057 0.000 1.278 653 A HN -0.000 nan 8.150 nan 0.000 0.412 654 V N 1.808 121.768 119.914 0.077 0.000 2.417 654 V HA 0.721 4.841 4.120 -0.000 0.000 0.291 654 V C -0.863 175.251 176.094 0.034 0.000 1.024 654 V CA -0.294 62.024 62.300 0.031 0.000 0.861 654 V CB 1.371 33.147 31.823 -0.080 0.000 0.985 654 V HN 0.959 nan 8.190 nan 0.000 0.436 655 V N 6.609 126.547 119.914 0.041 0.000 2.769 655 V HA 0.507 4.627 4.120 -0.000 0.000 0.312 655 V C -0.047 176.069 176.094 0.036 0.000 1.061 655 V CA -0.875 61.453 62.300 0.047 0.000 0.931 655 V CB 2.093 33.954 31.823 0.064 0.000 1.010 655 V HN 0.915 nan 8.190 nan 0.000 0.433 656 N N 2.406 121.119 118.700 0.021 0.000 2.419 656 N HA 0.096 4.836 4.740 -0.000 0.000 0.277 656 N C 0.533 176.040 175.510 -0.004 0.000 1.006 656 N CA -0.414 52.639 53.050 0.006 0.000 0.923 656 N CB 1.882 40.367 38.487 -0.004 0.000 1.140 656 N HN 0.873 nan 8.380 nan 0.000 0.488 657 D N 2.905 123.298 120.400 -0.010 0.000 2.221 657 D HA -0.166 4.474 4.640 -0.000 0.000 0.204 657 D C 1.082 177.368 176.300 -0.025 0.000 0.982 657 D CA 1.575 55.568 54.000 -0.013 0.000 0.857 657 D CB -0.365 40.423 40.800 -0.020 0.000 0.934 657 D HN 0.455 nan 8.370 nan 0.000 0.475 658 T N 0.116 114.648 114.554 -0.038 0.000 2.770 658 T HA -0.052 4.298 4.350 -0.000 0.000 0.263 658 T C 2.188 176.855 174.700 -0.054 0.000 1.039 658 T CA 1.270 63.336 62.100 -0.056 0.000 1.142 658 T CB -0.342 68.475 68.868 -0.083 0.000 0.868 658 T HN 0.067 nan 8.240 nan 0.000 0.435 659 V N 1.558 121.443 119.914 -0.047 0.000 2.407 659 V HA -0.086 4.034 4.120 -0.000 0.000 0.248 659 V C 2.866 178.941 176.094 -0.033 0.000 1.055 659 V CA 1.887 64.160 62.300 -0.045 0.000 1.049 659 V CB -1.357 30.442 31.823 -0.039 0.000 0.662 659 V HN 0.593 nan 8.190 nan 0.000 0.455 660 G N -0.418 108.368 108.800 -0.022 0.000 2.432 660 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.219 660 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.219 660 G C 1.669 176.558 174.900 -0.018 0.000 1.135 660 G CA 1.460 46.550 45.100 -0.017 0.000 0.767 660 G HN 0.475 nan 8.290 nan 0.000 0.550 661 T N 1.007 115.548 114.554 -0.022 0.000 2.821 661 T HA -0.128 4.222 4.350 -0.000 0.000 0.267 661 T C 2.284 176.973 174.700 -0.018 0.000 1.046 661 T CA 1.456 63.544 62.100 -0.020 0.000 1.139 661 T CB -0.176 68.674 68.868 -0.030 0.000 0.871 661 T HN 0.442 nan 8.240 nan 0.000 0.454 662 M N 0.444 120.027 119.600 -0.027 0.000 2.099 662 M HA -0.048 4.432 4.480 -0.000 0.000 0.262 662 M C 2.120 178.415 176.300 -0.008 0.000 1.067 662 M CA 1.573 56.859 55.300 -0.024 0.000 1.124 662 M CB -0.307 32.272 32.600 -0.036 0.000 1.353 662 M HN 0.014 nan 8.290 nan 0.000 0.410 663 M N 0.636 120.228 119.600 -0.012 0.000 2.073 663 M HA -0.183 4.297 4.480 -0.000 0.000 0.258 663 M C 2.227 178.540 176.300 0.021 0.000 1.070 663 M CA 2.225 57.523 55.300 -0.004 0.000 1.103 663 M CB -1.987 30.596 32.600 -0.029 0.000 1.321 663 M HN 0.394 nan 8.290 nan 0.000 0.405 664 T N 0.014 114.572 114.554 0.008 0.000 2.737 664 T HA -0.205 4.145 4.350 -0.000 0.000 0.269 664 T C 2.006 176.756 174.700 0.083 0.000 1.040 664 T CA 1.707 63.825 62.100 0.029 0.000 1.142 664 T CB -0.555 68.322 68.868 0.015 0.000 0.861 664 T HN 0.562 nan 8.240 nan 0.000 0.456 665 C N 1.291 120.623 119.300 0.053 0.000 2.500 665 C HA 0.306 4.766 4.460 -0.000 0.000 0.279 665 C C 3.128 178.153 174.990 0.057 0.000 1.288 665 C CA 0.485 59.532 59.018 0.049 0.000 1.710 665 C CB -1.453 26.297 27.740 0.016 0.000 2.052 665 C HN 0.596 nan 8.230 nan 0.000 0.488 666 A N -0.731 122.120 122.820 0.052 0.000 1.940 666 A HA -0.218 4.101 4.320 -0.000 0.000 0.219 666 A C 2.032 179.669 177.584 0.089 0.000 1.176 666 A CA 1.982 54.047 52.037 0.048 0.000 0.631 666 A CB -1.281 17.741 19.000 0.037 0.000 0.814 666 A HN 0.780 nan 8.150 nan 0.000 0.446 667 Y N 0.905 121.197 120.300 -0.014 0.000 2.181 667 Y HA -0.274 4.276 4.550 -0.000 0.000 0.284 667 Y C 2.170 178.069 175.900 -0.003 0.000 1.179 667 Y CA 2.314 60.409 58.100 -0.008 0.000 1.179 667 Y CB -0.178 38.279 38.460 -0.005 0.000 0.973 667 Y HN 0.563 nan 8.280 nan 0.000 0.519 668 E N -1.248 118.938 120.200 -0.022 0.000 2.110 668 E HA -0.039 4.311 4.350 -0.000 0.000 0.193 668 E C 0.310 176.871 176.600 -0.065 0.000 0.950 668 E CA 0.396 56.738 56.400 -0.097 0.000 0.840 668 E CB 0.027 29.716 29.700 -0.018 0.000 0.809 668 E HN -0.012 nan 8.360 nan 0.000 0.465 669 E N 2.072 122.257 120.200 -0.024 0.000 1.993 669 E HA 0.080 4.430 4.350 -0.000 0.000 0.271 669 E C -1.936 174.649 176.600 -0.024 0.000 1.008 669 E CA -2.945 53.440 56.400 -0.025 0.000 0.814 669 E CB 0.956 30.645 29.700 -0.017 0.000 1.098 669 E HN -0.071 nan 8.360 nan 0.000 0.407 670 P HA -0.132 nan 4.420 nan 0.000 0.225 670 P C 0.797 178.083 177.300 -0.023 0.000 1.148 670 P CA 1.015 64.100 63.100 -0.025 0.000 0.779 670 P CB 0.088 31.770 31.700 -0.030 0.000 0.780 671 T N -4.185 110.351 114.554 -0.030 0.000 3.169 671 T HA 0.055 4.404 4.350 -0.000 0.000 0.250 671 T C 0.687 175.361 174.700 -0.044 0.000 1.111 671 T CA -0.435 61.644 62.100 -0.035 0.000 1.010 671 T CB -1.452 67.392 68.868 -0.040 0.000 0.984 671 T HN 0.045 nan 8.240 nan 0.000 0.537 672 C N 2.768 122.045 119.300 -0.038 0.000 2.482 672 C HA 0.474 4.934 4.460 -0.000 0.000 0.378 672 C C 0.832 175.802 174.990 -0.032 0.000 1.284 672 C CA -0.414 58.577 59.018 -0.045 0.000 1.826 672 C CB -0.620 27.100 27.740 -0.034 0.000 2.473 672 C HN 0.698 nan 8.230 nan 0.000 0.562 673 E N 3.788 123.967 120.200 -0.035 0.000 2.862 673 E HA 0.259 4.608 4.350 -0.000 0.000 0.204 673 E C -0.922 175.683 176.600 0.008 0.000 0.966 673 E CA -0.068 56.324 56.400 -0.013 0.000 1.257 673 E CB 0.843 30.544 29.700 0.002 0.000 1.053 673 E HN 0.458 nan 8.360 nan 0.000 0.487 674 V N 0.779 120.680 119.914 -0.021 0.000 2.733 674 V HA 0.638 4.758 4.120 -0.000 0.000 0.306 674 V C 0.046 176.110 176.094 -0.051 0.000 1.084 674 V CA -0.923 61.367 62.300 -0.016 0.000 0.905 674 V CB 1.961 33.758 31.823 -0.043 0.000 1.010 674 V HN 0.240 nan 8.190 nan 0.000 0.424 675 G N 2.748 111.513 108.800 -0.057 0.000 2.453 675 G HA2 0.805 4.764 3.960 -0.000 0.000 0.323 675 G HA3 0.805 4.764 3.960 -0.000 0.000 0.323 675 G C -1.741 173.096 174.900 -0.104 0.000 1.198 675 G CA -0.681 44.377 45.100 -0.070 0.000 0.959 675 G HN 0.779 nan 8.290 nan 0.000 0.482 676 L N 1.258 122.431 121.223 -0.084 0.000 2.482 676 L HA 0.681 5.021 4.340 -0.000 0.000 0.263 676 L C -1.433 175.396 176.870 -0.068 0.000 0.957 676 L CA -0.734 54.050 54.840 -0.093 0.000 0.836 676 L CB 1.989 44.060 42.059 0.020 0.000 1.324 676 L HN 0.394 nan 8.230 nan 0.000 0.406 677 I N 5.695 126.238 120.570 -0.046 0.000 2.436 677 I HA 0.476 4.646 4.170 -0.000 0.000 0.289 677 I C -0.993 175.155 176.117 0.052 0.000 1.010 677 I CA -0.680 60.611 61.300 -0.014 0.000 1.098 677 I CB 1.997 39.986 38.000 -0.018 0.000 1.266 677 I HN 0.362 nan 8.210 nan 0.000 0.434 678 V N 6.101 126.028 119.914 0.022 0.000 2.385 678 V HA 0.680 4.800 4.120 -0.000 0.000 0.277 678 V C 0.405 176.467 176.094 -0.053 0.000 1.012 678 V CA -0.159 62.139 62.300 -0.004 0.000 0.832 678 V CB 1.130 32.917 31.823 -0.061 0.000 1.028 678 V HN 1.036 nan 8.190 nan 0.000 0.436 679 G N 2.695 111.476 108.800 -0.031 0.000 3.433 679 G HA2 0.281 4.241 3.960 -0.000 0.000 0.173 679 G HA3 0.281 4.241 3.960 -0.000 0.000 0.173 679 G C 1.126 176.009 174.900 -0.028 0.000 1.196 679 G CA 0.693 45.772 45.100 -0.037 0.000 1.062 679 G HN 0.494 nan 8.290 nan 0.000 0.699 680 T N -1.303 113.240 114.554 -0.019 0.000 2.821 680 T HA 0.342 4.692 4.350 -0.000 0.000 0.267 680 T C 1.239 175.952 174.700 0.022 0.000 1.046 680 T CA 1.500 63.587 62.100 -0.023 0.000 1.139 680 T CB -0.258 68.589 68.868 -0.035 0.000 0.871 680 T HN 0.946 nan 8.240 nan 0.000 0.454 681 G N -0.263 108.563 108.800 0.044 0.000 3.013 681 G HA2 0.576 4.536 3.960 -0.000 0.000 0.278 681 G HA3 0.576 4.536 3.960 -0.000 0.000 0.278 681 G C -1.468 173.501 174.900 0.114 0.000 1.353 681 G CA -0.646 44.516 45.100 0.102 0.000 1.043 681 G HN 0.373 nan 8.290 nan 0.000 0.523 682 S N -0.671 115.141 115.700 0.186 0.000 2.536 682 S HA 0.690 5.160 4.470 -0.000 0.000 0.271 682 S C -1.254 173.572 174.600 0.376 0.000 1.134 682 S CA -0.748 57.620 58.200 0.279 0.000 0.897 682 S CB 1.907 65.319 63.200 0.353 0.000 1.094 682 S HN 0.807 nan 8.310 nan 0.000 0.473 683 N N 0.954 119.754 118.700 0.167 0.000 2.927 683 N HA 0.828 5.568 4.740 -0.000 0.000 0.248 683 N C -1.846 173.292 175.510 -0.620 0.000 1.443 683 N CA 0.046 52.972 53.050 -0.206 0.000 0.870 683 N CB 1.918 40.361 38.487 -0.075 0.000 1.444 683 N HN 0.996 nan 8.380 nan 0.000 0.519 684 A N -0.162 122.135 122.820 -0.873 0.000 2.594 684 A HA 0.737 5.057 4.320 -0.000 0.000 0.295 684 A C -0.928 176.432 177.584 -0.373 0.000 1.071 684 A CA -0.455 51.137 52.037 -0.742 0.000 0.685 684 A CB 0.069 18.251 19.000 -1.363 0.000 1.285 684 A HN 1.208 nan 8.150 nan 0.000 0.405 685 C N -0.634 118.556 119.300 -0.184 0.000 3.171 685 C HA 1.057 5.517 4.460 -0.000 0.000 0.308 685 C C -1.174 173.870 174.990 0.090 0.000 1.334 685 C CA -0.894 58.098 59.018 -0.044 0.000 1.473 685 C CB 0.765 28.449 27.740 -0.093 0.000 1.866 685 C HN 2.005 nan 8.230 nan 0.000 0.465 686 Y N -0.761 119.471 120.300 -0.115 0.000 2.604 686 Y HA 0.702 5.252 4.550 -0.000 0.000 0.331 686 Y C -1.111 174.744 175.900 -0.076 0.000 1.158 686 Y CA -1.740 56.305 58.100 -0.092 0.000 1.056 686 Y CB 0.571 38.981 38.460 -0.084 0.000 1.330 686 Y HN 0.652 nan 8.280 nan 0.000 0.457 687 M N 3.274 122.799 119.600 -0.124 0.000 2.251 687 M HA 0.235 4.715 4.480 -0.000 0.000 0.346 687 M C -0.208 175.963 176.300 -0.215 0.000 1.499 687 M CA 0.253 55.442 55.300 -0.186 0.000 1.128 687 M CB -0.021 32.540 32.600 -0.065 0.000 1.809 687 M HN 0.861 nan 8.290 nan 0.000 0.464 688 E N 2.638 122.626 120.200 -0.353 0.000 2.232 688 E HA 0.337 4.687 4.350 -0.000 0.000 0.264 688 E C -0.858 175.676 176.600 -0.110 0.000 0.973 688 E CA -0.437 55.825 56.400 -0.229 0.000 0.849 688 E CB 1.069 30.555 29.700 -0.358 0.000 1.198 688 E HN 0.354 nan 8.360 nan 0.000 0.407 689 E N 3.608 123.781 120.200 -0.044 0.000 2.259 689 E HA 0.060 4.410 4.350 -0.000 0.000 0.281 689 E C 0.778 177.349 176.600 -0.047 0.000 1.037 689 E CA -0.311 56.069 56.400 -0.034 0.000 0.854 689 E CB 0.816 30.512 29.700 -0.007 0.000 1.051 689 E HN 0.657 nan 8.360 nan 0.000 0.409 690 M N 2.785 122.355 119.600 -0.050 0.000 2.144 690 M HA -0.235 4.244 4.480 -0.000 0.000 0.260 690 M C 1.725 178.002 176.300 -0.038 0.000 1.067 690 M CA 1.815 57.084 55.300 -0.052 0.000 1.095 690 M CB -0.836 31.740 32.600 -0.039 0.000 1.365 690 M HN 0.447 nan 8.290 nan 0.000 0.406 691 K N -0.862 119.523 120.400 -0.025 0.000 2.281 691 K HA -0.141 4.179 4.320 -0.000 0.000 0.203 691 K C 1.335 177.924 176.600 -0.018 0.000 1.046 691 K CA 1.609 57.886 56.287 -0.017 0.000 0.938 691 K CB -0.374 32.119 32.500 -0.010 0.000 0.737 691 K HN 0.277 nan 8.250 nan 0.000 0.458 692 N N 0.648 119.336 118.700 -0.020 0.000 2.395 692 N HA -0.002 4.738 4.740 -0.000 0.000 0.175 692 N C -0.137 175.355 175.510 -0.029 0.000 1.029 692 N CA 0.506 53.547 53.050 -0.014 0.000 0.897 692 N CB 0.336 38.824 38.487 0.002 0.000 0.991 692 N HN -0.013 nan 8.380 nan 0.000 0.441 693 V N 3.037 122.918 119.914 -0.055 0.000 2.157 693 V HA 0.026 4.146 4.120 -0.000 0.000 0.241 693 V C 1.227 177.277 176.094 -0.073 0.000 1.349 693 V CA 0.140 62.390 62.300 -0.082 0.000 1.319 693 V CB -0.755 30.993 31.823 -0.125 0.000 1.421 693 V HN 0.175 nan 8.190 nan 0.000 0.501 694 E N 2.040 122.208 120.200 -0.054 0.000 2.331 694 E HA -0.203 4.147 4.350 -0.000 0.000 0.199 694 E C 1.645 178.204 176.600 -0.068 0.000 1.008 694 E CA 0.868 57.240 56.400 -0.047 0.000 0.843 694 E CB 0.034 29.717 29.700 -0.028 0.000 0.761 694 E HN 0.548 nan 8.360 nan 0.000 0.507 695 M N 0.015 119.549 119.600 -0.110 0.000 2.558 695 M HA 0.036 4.515 4.480 -0.000 0.000 0.255 695 M C 0.265 176.513 176.300 -0.087 0.000 1.113 695 M CA 0.473 55.690 55.300 -0.140 0.000 1.097 695 M CB 0.397 32.842 32.600 -0.259 0.000 1.426 695 M HN -0.236 nan 8.290 nan 0.000 0.488 696 V N 0.592 120.463 119.914 -0.072 0.000 2.483 696 V HA 0.240 4.360 4.120 -0.000 0.000 0.297 696 V C 0.014 176.102 176.094 -0.010 0.000 1.027 696 V CA -1.367 60.920 62.300 -0.021 0.000 0.855 696 V CB 1.836 33.634 31.823 -0.041 0.000 0.995 696 V HN 0.178 nan 8.190 nan 0.000 0.424 697 E N 2.989 123.195 120.200 0.010 0.000 2.465 697 E HA 0.444 4.794 4.350 -0.000 0.000 0.260 697 E C 0.585 177.190 176.600 0.007 0.000 0.980 697 E CA 0.800 57.203 56.400 0.005 0.000 0.927 697 E CB 0.738 30.444 29.700 0.009 0.000 0.934 697 E HN 1.114 nan 8.360 nan 0.000 0.459 698 G N 3.077 111.877 108.800 -0.002 0.000 3.313 698 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.659 698 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.659 698 G C -0.538 174.356 174.900 -0.010 0.000 1.286 698 G CA -0.865 44.233 45.100 -0.002 0.000 1.077 698 G HN 0.532 nan 8.290 nan 0.000 0.551 699 D N 1.016 121.411 120.400 -0.009 0.000 2.340 699 D HA 0.086 4.725 4.640 -0.000 0.000 0.217 699 D C 0.820 177.113 176.300 -0.011 0.000 1.081 699 D CA 0.492 54.485 54.000 -0.012 0.000 0.842 699 D CB 0.641 41.435 40.800 -0.009 0.000 0.934 699 D HN 0.424 nan 8.370 nan 0.000 0.511 700 Q N 0.509 120.303 119.800 -0.009 0.000 2.245 700 Q HA 0.523 4.863 4.340 -0.000 0.000 0.256 700 Q C 0.838 176.832 176.000 -0.011 0.000 0.942 700 Q CA -0.203 55.595 55.803 -0.008 0.000 0.896 700 Q CB 2.324 31.059 28.738 -0.004 0.000 1.272 700 Q HN 0.231 nan 8.270 nan 0.000 0.442 701 G N 2.089 110.881 108.800 -0.012 0.000 2.615 701 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.218 701 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.218 701 G C -0.797 174.087 174.900 -0.028 0.000 1.339 701 G CA -0.571 44.519 45.100 -0.016 0.000 0.884 701 G HN 0.533 nan 8.290 nan 0.000 0.559 702 Q N -1.496 118.283 119.800 -0.036 0.000 2.633 702 Q HA 0.804 5.144 4.340 -0.000 0.000 0.292 702 Q C -0.513 175.439 176.000 -0.081 0.000 1.089 702 Q CA -1.014 54.754 55.803 -0.059 0.000 0.811 702 Q CB 2.301 31.005 28.738 -0.056 0.000 1.472 702 Q HN 0.974 nan 8.270 nan 0.000 0.464 703 M N 0.873 120.397 119.600 -0.127 0.000 2.274 703 M HA 0.278 4.758 4.480 -0.000 0.000 0.272 703 M C -1.885 174.275 176.300 -0.234 0.000 1.053 703 M CA -0.375 54.825 55.300 -0.168 0.000 0.978 703 M CB 1.607 34.088 32.600 -0.197 0.000 1.836 703 M HN 0.792 nan 8.290 nan 0.000 0.484 704 C N 6.831 126.007 119.300 -0.207 0.000 2.627 704 C HA 0.521 4.981 4.460 -0.000 0.000 0.404 704 C C -0.073 174.745 174.990 -0.287 0.000 1.340 704 C CA -0.462 58.411 59.018 -0.241 0.000 1.758 704 C CB -1.074 26.574 27.740 -0.153 0.000 2.501 704 C HN 0.734 nan 8.230 nan 0.000 0.588 705 I N 6.413 126.742 120.570 -0.401 0.000 2.385 705 I HA 0.246 4.416 4.170 -0.000 0.000 0.294 705 I C 0.190 176.187 176.117 -0.201 0.000 0.988 705 I CA 0.185 61.286 61.300 -0.332 0.000 1.265 705 I CB 1.328 39.069 38.000 -0.431 0.000 1.388 705 I HN 0.743 nan 8.210 nan 0.000 0.480 706 N N 6.638 125.263 118.700 -0.125 0.000 2.589 706 N HA 0.270 5.010 4.740 -0.000 0.000 0.232 706 N C 0.618 176.116 175.510 -0.021 0.000 1.015 706 N CA -0.323 52.684 53.050 -0.071 0.000 0.931 706 N CB 0.814 39.270 38.487 -0.053 0.000 1.150 706 N HN 0.509 nan 8.380 nan 0.000 0.512 707 M N 1.106 120.705 119.600 -0.001 0.000 2.108 707 M HA -0.088 4.392 4.480 -0.000 0.000 0.261 707 M C 0.021 176.386 176.300 0.107 0.000 1.066 707 M CA 1.188 56.531 55.300 0.071 0.000 1.107 707 M CB -0.218 32.437 32.600 0.090 0.000 1.356 707 M HN 0.405 nan 8.290 nan 0.000 0.406 708 E N -0.515 119.736 120.200 0.086 0.000 2.416 708 E HA -0.213 4.137 4.350 -0.000 0.000 0.249 708 E C 0.157 176.945 176.600 0.313 0.000 1.124 708 E CA 0.881 57.376 56.400 0.158 0.000 0.732 708 E CB -1.987 27.785 29.700 0.120 0.000 1.286 708 E HN 0.853 nan 8.360 nan 0.000 0.394 709 W N -0.395 120.978 121.300 0.121 0.000 2.747 709 W HA 0.154 4.814 4.660 -0.000 0.000 0.244 709 W C 1.436 178.135 176.519 0.300 0.000 1.270 709 W CA 0.660 58.096 57.345 0.151 0.000 1.333 709 W CB -1.436 28.094 29.460 0.116 0.000 1.139 709 W HN 0.127 nan 8.180 nan 0.000 0.662 710 G N 1.025 110.227 108.800 0.670 0.000 2.470 710 G HA2 -0.050 3.909 3.960 -0.000 0.000 0.220 710 G HA3 -0.050 3.909 3.960 -0.000 0.000 0.220 710 G C 1.658 176.738 174.900 0.300 0.000 1.121 710 G CA 1.112 46.474 45.100 0.436 0.000 0.766 710 G HN 0.447 nan 8.290 nan 0.000 0.553 711 A N 0.004 122.981 122.820 0.261 0.000 2.238 711 A HA 0.402 4.722 4.320 -0.000 0.000 0.208 711 A C 0.715 178.400 177.584 0.167 0.000 1.177 711 A CA -0.616 51.520 52.037 0.166 0.000 0.804 711 A CB -0.360 18.715 19.000 0.126 0.000 0.823 711 A HN 0.268 nan 8.150 nan 0.000 0.482 712 F N 1.288 121.243 119.950 0.009 0.000 2.602 712 F HA 0.373 4.899 4.527 -0.000 0.000 0.385 712 F C 1.314 177.056 175.800 -0.098 0.000 1.063 712 F CA 0.821 58.740 58.000 -0.134 0.000 1.233 712 F CB -0.071 38.657 39.000 -0.453 0.000 1.067 712 F HN 0.371 nan 8.300 nan 0.000 0.564 713 G N 4.285 112.825 108.800 -0.433 0.000 2.194 713 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.236 713 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.236 713 G C 0.819 175.599 174.900 -0.200 0.000 0.987 713 G CA 0.253 45.077 45.100 -0.460 0.000 0.635 713 G HN 0.594 nan 8.290 nan 0.000 0.520 714 D N 0.934 121.274 120.400 -0.100 0.000 2.378 714 D HA 0.018 4.658 4.640 -0.000 0.000 0.222 714 D C 1.906 178.172 176.300 -0.057 0.000 0.980 714 D CA 1.255 55.220 54.000 -0.058 0.000 0.907 714 D CB -0.039 40.752 40.800 -0.013 0.000 0.899 714 D HN 0.711 nan 8.370 nan 0.000 0.527 715 N N -1.157 117.503 118.700 -0.067 0.000 2.234 715 N HA 0.147 4.887 4.740 -0.000 0.000 0.227 715 N C 1.206 176.673 175.510 -0.072 0.000 1.151 715 N CA 0.394 53.412 53.050 -0.054 0.000 0.865 715 N CB 0.504 38.971 38.487 -0.033 0.000 1.066 715 N HN 0.025 nan 8.380 nan 0.000 0.515 716 G N 0.410 109.150 108.800 -0.101 0.000 2.176 716 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.253 716 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.253 716 G C 1.103 175.923 174.900 -0.133 0.000 0.979 716 G CA 0.313 45.348 45.100 -0.109 0.000 0.641 716 G HN 0.846 nan 8.290 nan 0.000 0.530 717 C N -0.372 118.833 119.300 -0.160 0.000 2.485 717 C HA 0.567 5.027 4.460 -0.000 0.000 0.283 717 C C 2.081 176.927 174.990 -0.241 0.000 1.478 717 C CA 0.936 59.853 59.018 -0.169 0.000 1.741 717 C CB -1.087 26.574 27.740 -0.132 0.000 1.675 717 C HN 0.449 nan 8.230 nan 0.000 0.573 718 L N -0.099 120.952 121.223 -0.287 0.000 2.858 718 L HA 0.201 4.541 4.340 -0.000 0.000 0.251 718 L C 1.420 178.185 176.870 -0.176 0.000 1.149 718 L CA 0.153 54.827 54.840 -0.277 0.000 0.955 718 L CB -0.284 41.548 42.059 -0.378 0.000 1.289 718 L HN 0.096 nan 8.230 nan 0.000 0.542 719 D N 1.253 121.562 120.400 -0.152 0.000 2.354 719 D HA -0.187 4.453 4.640 -0.000 0.000 0.216 719 D C 1.320 177.556 176.300 -0.106 0.000 0.970 719 D CA 1.266 55.194 54.000 -0.120 0.000 0.905 719 D CB 0.123 40.860 40.800 -0.104 0.000 0.903 719 D HN 0.529 nan 8.370 nan 0.000 0.508 720 D N -0.419 119.921 120.400 -0.101 0.000 2.354 720 D HA -0.051 4.589 4.640 -0.000 0.000 0.209 720 D C 1.872 178.119 176.300 -0.088 0.000 1.015 720 D CA 0.069 54.018 54.000 -0.086 0.000 0.867 720 D CB -0.609 40.150 40.800 -0.069 0.000 0.933 720 D HN 0.451 nan 8.370 nan 0.000 0.520 721 I N -3.014 117.499 120.570 -0.095 0.000 4.082 721 I HA 0.352 4.522 4.170 -0.000 0.000 0.337 721 I C 0.082 176.134 176.117 -0.108 0.000 1.352 721 I CA -0.742 60.505 61.300 -0.088 0.000 1.097 721 I CB 0.254 38.215 38.000 -0.065 0.000 1.048 721 I HN -0.317 nan 8.210 nan 0.000 0.393 722 R N 2.288 122.718 120.500 -0.118 0.000 2.410 722 R HA 0.403 4.743 4.340 -0.000 0.000 0.288 722 R C 0.501 176.710 176.300 -0.152 0.000 1.051 722 R CA 0.054 56.081 56.100 -0.122 0.000 1.021 722 R CB 1.121 31.355 30.300 -0.110 0.000 1.032 722 R HN 0.347 nan 8.270 nan 0.000 0.481 723 T N -2.604 111.847 114.554 -0.171 0.000 2.880 723 T HA 0.043 4.393 4.350 -0.000 0.000 0.279 723 T C 1.163 175.789 174.700 -0.123 0.000 0.990 723 T CA -0.484 61.503 62.100 -0.188 0.000 0.938 723 T CB 0.998 69.692 68.868 -0.289 0.000 1.206 723 T HN 0.773 nan 8.240 nan 0.000 0.573 724 H N -0.530 118.380 119.070 -0.265 0.000 2.387 724 H HA -0.023 4.533 4.556 -0.000 0.000 0.299 724 H C 1.339 176.496 175.328 -0.285 0.000 1.090 724 H CA 1.830 57.679 56.048 -0.331 0.000 1.332 724 H CB -0.537 28.924 29.762 -0.503 0.000 1.386 724 H HN 0.676 nan 8.280 nan 0.000 0.516 725 Y N 0.059 120.357 120.300 -0.004 0.000 2.395 725 Y HA -0.051 4.499 4.550 -0.000 0.000 0.293 725 Y C 2.195 178.100 175.900 0.009 0.000 1.123 725 Y CA 0.793 58.902 58.100 0.015 0.000 1.227 725 Y CB 0.036 38.621 38.460 0.210 0.000 1.012 725 Y HN 0.306 nan 8.280 nan 0.000 0.552 726 D N 0.161 120.630 120.400 0.115 0.000 2.117 726 D HA -0.103 4.537 4.640 -0.000 0.000 0.198 726 D C 2.055 178.337 176.300 -0.029 0.000 0.982 726 D CA 0.950 54.980 54.000 0.051 0.000 0.828 726 D CB -0.086 40.712 40.800 -0.004 0.000 0.967 726 D HN 0.376 nan 8.370 nan 0.000 0.464 727 R N 0.444 120.884 120.500 -0.099 0.000 2.073 727 R HA -0.032 4.308 4.340 -0.000 0.000 0.234 727 R C 2.664 178.879 176.300 -0.141 0.000 1.134 727 R CA 0.544 56.561 56.100 -0.138 0.000 0.952 727 R CB -0.472 29.724 30.300 -0.174 0.000 0.850 727 R HN 0.204 nan 8.270 nan 0.000 0.433 728 L N 0.470 121.597 121.223 -0.160 0.000 2.012 728 L HA -0.206 4.133 4.340 -0.000 0.000 0.210 728 L C 2.510 179.474 176.870 0.157 0.000 1.073 728 L CA 1.209 56.042 54.840 -0.011 0.000 0.748 728 L CB -0.589 41.505 42.059 0.058 0.000 0.891 728 L HN 0.036 nan 8.230 nan 0.000 0.431 729 V N 0.237 120.239 119.914 0.146 0.000 2.392 729 V HA -0.317 3.803 4.120 -0.000 0.000 0.249 729 V C 2.287 178.451 176.094 0.116 0.000 1.059 729 V CA 2.174 64.585 62.300 0.185 0.000 1.051 729 V CB -0.710 31.213 31.823 0.167 0.000 0.658 729 V HN 0.515 nan 8.190 nan 0.000 0.455 730 N N 0.426 119.129 118.700 0.006 0.000 2.080 730 N HA -0.198 4.542 4.740 -0.000 0.000 0.189 730 N C 1.934 177.401 175.510 -0.072 0.000 1.036 730 N CA 1.929 54.951 53.050 -0.047 0.000 0.846 730 N CB -0.297 38.137 38.487 -0.089 0.000 1.015 730 N HN 0.657 nan 8.380 nan 0.000 0.423 731 E N -1.041 119.055 120.200 -0.173 0.000 2.114 731 E HA -0.248 4.102 4.350 -0.000 0.000 0.199 731 E C 0.852 177.219 176.600 -0.389 0.000 1.008 731 E CA 1.470 57.657 56.400 -0.354 0.000 0.810 731 E CB -0.322 29.014 29.700 -0.606 0.000 0.739 731 E HN 0.574 nan 8.360 nan 0.000 0.456 732 Y N 1.009 121.319 120.300 0.017 0.000 2.466 732 Y HA 0.178 4.728 4.550 -0.000 0.000 0.272 732 Y C 0.930 176.865 175.900 0.059 0.000 1.169 732 Y CA 0.228 58.349 58.100 0.035 0.000 1.285 732 Y CB 0.062 38.544 38.460 0.037 0.000 1.078 732 Y HN 0.030 nan 8.280 nan 0.000 0.523 733 S N -0.394 115.400 115.700 0.157 0.000 2.614 733 S HA 0.102 4.572 4.470 -0.000 0.000 0.265 733 S C 1.089 175.764 174.600 0.124 0.000 1.303 733 S CA -0.656 57.648 58.200 0.173 0.000 1.000 733 S CB 0.954 64.261 63.200 0.178 0.000 0.935 733 S HN 0.171 nan 8.310 nan 0.000 0.551 734 L N 1.164 122.468 121.223 0.135 0.000 2.291 734 L HA 0.030 4.370 4.340 -0.000 0.000 0.214 734 L C 0.719 177.640 176.870 0.085 0.000 1.120 734 L CA 1.387 56.289 54.840 0.102 0.000 0.799 734 L CB -1.568 40.554 42.059 0.104 0.000 0.925 734 L HN 0.918 nan 8.230 nan 0.000 0.446 735 N N -0.581 118.173 118.700 0.089 0.000 2.699 735 N HA 0.197 4.937 4.740 -0.000 0.000 0.317 735 N C 0.010 175.537 175.510 0.029 0.000 1.661 735 N CA -0.224 52.864 53.050 0.063 0.000 0.979 735 N CB -0.084 38.450 38.487 0.078 0.000 1.329 735 N HN -0.026 nan 8.380 nan 0.000 0.497 736 A N -0.125 122.704 122.820 0.014 0.000 2.603 736 A HA 0.408 4.728 4.320 -0.000 0.000 0.235 736 A C 1.652 179.219 177.584 -0.028 0.000 1.035 736 A CA 0.837 52.862 52.037 -0.020 0.000 0.755 736 A CB -0.778 18.200 19.000 -0.038 0.000 0.954 736 A HN 1.329 nan 8.150 nan 0.000 0.511 737 G N 1.424 110.195 108.800 -0.048 0.000 2.212 737 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.266 737 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.266 737 G C 0.259 175.136 174.900 -0.038 0.000 0.978 737 G CA 0.932 46.004 45.100 -0.048 0.000 0.632 737 G HN 0.901 nan 8.290 nan 0.000 0.537 738 K N -0.086 120.298 120.400 -0.028 0.000 2.267 738 K HA 0.611 4.930 4.320 -0.000 0.000 0.246 738 K C 0.475 177.060 176.600 -0.025 0.000 0.954 738 K CA -0.813 55.467 56.287 -0.011 0.000 0.824 738 K CB 1.201 33.711 32.500 0.016 0.000 1.167 738 K HN 0.140 nan 8.250 nan 0.000 0.431 739 Q N 0.343 120.143 119.800 0.001 0.000 2.475 739 Q HA -0.207 4.133 4.340 -0.000 0.000 0.280 739 Q C 0.664 176.621 176.000 -0.072 0.000 1.234 739 Q CA 0.551 56.354 55.803 0.001 0.000 0.873 739 Q CB -1.495 27.245 28.738 0.003 0.000 1.256 739 Q HN 0.568 nan 8.270 nan 0.000 0.475 740 R N -0.394 120.069 120.500 -0.061 0.000 2.083 740 R HA -0.135 4.205 4.340 -0.000 0.000 0.237 740 R C 1.827 178.093 176.300 -0.056 0.000 1.137 740 R CA 1.983 58.025 56.100 -0.096 0.000 0.951 740 R CB -0.447 29.789 30.300 -0.107 0.000 0.851 740 R HN 0.484 nan 8.270 nan 0.000 0.434 741 Y N 1.335 121.544 120.300 -0.151 0.000 2.114 741 Y HA -0.182 4.368 4.550 -0.000 0.000 0.284 741 Y C 2.114 177.952 175.900 -0.102 0.000 1.143 741 Y CA 1.944 59.965 58.100 -0.132 0.000 1.135 741 Y CB -0.394 38.033 38.460 -0.055 0.000 0.980 741 Y HN 0.225 nan 8.280 nan 0.000 0.499 742 E N 0.089 120.251 120.200 -0.062 0.000 2.333 742 E HA -0.226 4.124 4.350 -0.000 0.000 0.198 742 E C 1.743 178.253 176.600 -0.149 0.000 1.007 742 E CA 1.137 57.477 56.400 -0.099 0.000 0.845 742 E CB -0.103 29.639 29.700 0.069 0.000 0.766 742 E HN 0.459 nan 8.360 nan 0.000 0.507 743 K N -0.567 119.657 120.400 -0.293 0.000 2.365 743 K HA 0.068 4.388 4.320 -0.000 0.000 0.197 743 K C 1.429 177.930 176.600 -0.166 0.000 1.042 743 K CA 0.614 56.599 56.287 -0.502 0.000 0.987 743 K CB 0.242 32.377 32.500 -0.609 0.000 0.779 743 K HN 0.198 nan 8.250 nan 0.000 0.484 744 M N -0.487 119.038 119.600 -0.125 0.000 2.371 744 M HA 0.191 4.671 4.480 -0.000 0.000 0.246 744 M C 1.087 177.356 176.300 -0.051 0.000 1.103 744 M CA 0.422 55.696 55.300 -0.043 0.000 1.010 744 M CB 0.772 33.349 32.600 -0.038 0.000 1.457 744 M HN 0.042 nan 8.290 nan 0.000 0.486 745 I N -2.286 118.226 120.570 -0.096 0.000 4.922 745 I HA 0.120 4.290 4.170 -0.000 0.000 0.331 745 I C 0.418 176.528 176.117 -0.012 0.000 1.260 745 I CA 0.084 61.341 61.300 -0.071 0.000 1.366 745 I CB 0.968 38.795 38.000 -0.289 0.000 1.386 745 I HN -0.097 nan 8.210 nan 0.000 0.483 746 S N 0.893 116.620 115.700 0.044 0.000 2.592 746 S HA 0.234 4.704 4.470 -0.000 0.000 0.271 746 S C 1.205 175.845 174.600 0.066 0.000 1.326 746 S CA 0.141 58.389 58.200 0.081 0.000 1.024 746 S CB 1.468 64.790 63.200 0.205 0.000 0.921 746 S HN 0.432 nan 8.310 nan 0.000 0.527 747 G N 1.420 110.212 108.800 -0.013 0.000 2.679 747 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.212 747 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.212 747 G C 1.070 175.948 174.900 -0.036 0.000 1.137 747 G CA 0.130 45.212 45.100 -0.030 0.000 0.787 747 G HN 0.645 nan 8.290 nan 0.000 0.534 748 M N -0.924 118.624 119.600 -0.086 0.000 2.506 748 M HA 0.169 4.649 4.480 -0.000 0.000 0.260 748 M C 1.349 177.358 176.300 -0.485 0.000 1.104 748 M CA 1.001 56.111 55.300 -0.315 0.000 1.112 748 M CB 0.245 32.552 32.600 -0.488 0.000 1.401 748 M HN 0.385 nan 8.290 nan 0.000 0.473 749 Y N -1.362 118.957 120.300 0.031 0.000 2.589 749 Y HA 0.167 4.717 4.550 -0.000 0.000 0.271 749 Y C 1.812 177.737 175.900 0.042 0.000 1.107 749 Y CA -0.169 57.957 58.100 0.043 0.000 1.273 749 Y CB -0.194 38.289 38.460 0.038 0.000 1.266 749 Y HN -0.032 nan 8.280 nan 0.000 0.504 750 L N 0.048 121.369 121.223 0.163 0.000 2.010 750 L HA -0.301 4.039 4.340 -0.000 0.000 0.219 750 L C 2.551 179.454 176.870 0.055 0.000 1.077 750 L CA 1.923 56.815 54.840 0.087 0.000 0.773 750 L CB -1.150 40.933 42.059 0.040 0.000 0.892 750 L HN 0.457 nan 8.230 nan 0.000 0.436 751 G N -0.956 107.891 108.800 0.079 0.000 2.442 751 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.219 751 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.219 751 G C 1.467 176.450 174.900 0.139 0.000 1.141 751 G CA 0.396 45.563 45.100 0.112 0.000 0.763 751 G HN 0.321 nan 8.290 nan 0.000 0.554 752 E N 0.205 120.491 120.200 0.144 0.000 2.208 752 E HA -0.008 4.342 4.350 -0.000 0.000 0.193 752 E C 2.556 179.234 176.600 0.129 0.000 0.988 752 E CA 0.322 56.814 56.400 0.154 0.000 0.828 752 E CB -0.037 29.769 29.700 0.176 0.000 0.763 752 E HN 0.540 nan 8.360 nan 0.000 0.478 753 I N 0.193 120.828 120.570 0.109 0.000 2.233 753 I HA -0.212 3.958 4.170 -0.000 0.000 0.243 753 I C 2.399 178.482 176.117 -0.057 0.000 1.093 753 I CA 0.530 61.887 61.300 0.095 0.000 1.380 753 I CB -0.220 37.850 38.000 0.116 0.000 1.067 753 I HN -0.094 nan 8.210 nan 0.000 0.413 754 V N 0.904 120.739 119.914 -0.131 0.000 2.255 754 V HA -0.321 3.799 4.120 -0.000 0.000 0.247 754 V C 2.655 178.609 176.094 -0.234 0.000 1.051 754 V CA 2.136 64.265 62.300 -0.285 0.000 1.018 754 V CB -0.749 30.840 31.823 -0.391 0.000 0.641 754 V HN 0.407 nan 8.190 nan 0.000 0.445 755 R N 0.124 120.591 120.500 -0.054 0.000 2.105 755 R HA -0.182 4.158 4.340 -0.000 0.000 0.239 755 R C 2.137 178.474 176.300 0.062 0.000 1.135 755 R CA 1.826 58.020 56.100 0.156 0.000 0.967 755 R CB -0.317 30.196 30.300 0.354 0.000 0.861 755 R HN 0.554 nan 8.270 nan 0.000 0.442 756 N N 0.344 119.067 118.700 0.039 0.000 2.396 756 N HA -0.096 4.644 4.740 -0.000 0.000 0.180 756 N C 1.709 177.222 175.510 0.005 0.000 1.028 756 N CA 1.032 54.132 53.050 0.083 0.000 0.893 756 N CB 0.095 38.697 38.487 0.191 0.000 0.967 756 N HN 0.355 nan 8.380 nan 0.000 0.440 757 I N 0.800 121.190 120.570 -0.300 0.000 2.277 757 I HA -0.163 4.007 4.170 -0.000 0.000 0.243 757 I C 2.153 177.932 176.117 -0.564 0.000 1.094 757 I CA 0.557 61.422 61.300 -0.725 0.000 1.393 757 I CB -0.214 37.199 38.000 -0.978 0.000 1.078 757 I HN 0.027 nan 8.210 nan 0.000 0.417 758 L N 0.762 121.804 121.223 -0.301 0.000 2.012 758 L HA -0.254 4.086 4.340 -0.000 0.000 0.210 758 L C 2.613 179.534 176.870 0.086 0.000 1.073 758 L CA 1.674 56.486 54.840 -0.047 0.000 0.748 758 L CB -0.586 41.559 42.059 0.143 0.000 0.891 758 L HN 0.219 nan 8.230 nan 0.000 0.431 759 I N -0.112 120.504 120.570 0.076 0.000 2.151 759 I HA -0.358 3.812 4.170 -0.000 0.000 0.243 759 I C 2.443 178.618 176.117 0.097 0.000 1.080 759 I CA 1.549 62.908 61.300 0.099 0.000 1.339 759 I CB -0.376 37.667 38.000 0.072 0.000 1.039 759 I HN 0.369 nan 8.210 nan 0.000 0.409 760 D N 0.799 121.251 120.400 0.088 0.000 2.106 760 D HA -0.229 4.411 4.640 -0.000 0.000 0.191 760 D C 2.144 178.531 176.300 0.145 0.000 0.997 760 D CA 1.733 55.816 54.000 0.139 0.000 0.834 760 D CB -0.124 40.823 40.800 0.245 0.000 0.956 760 D HN 0.143 nan 8.370 nan 0.000 0.448 761 F N 1.064 120.973 119.950 -0.070 0.000 2.161 761 F HA -0.116 4.411 4.527 -0.000 0.000 0.300 761 F C 2.744 178.379 175.800 -0.274 0.000 1.089 761 F CA 1.012 58.867 58.000 -0.242 0.000 1.282 761 F CB -1.340 37.639 39.000 -0.035 0.000 1.010 761 F HN 0.017 nan 8.300 nan 0.000 0.485 762 T N 0.033 114.669 114.554 0.137 0.000 2.746 762 T HA -0.177 4.173 4.350 -0.000 0.000 0.267 762 T C 2.109 176.825 174.700 0.025 0.000 1.039 762 T CA 1.257 63.435 62.100 0.130 0.000 1.142 762 T CB -0.107 68.910 68.868 0.248 0.000 0.866 762 T HN 0.194 nan 8.240 nan 0.000 0.444 763 K N 1.059 121.460 120.400 0.002 0.000 2.026 763 K HA -0.033 4.287 4.320 -0.000 0.000 0.208 763 K C 2.191 178.725 176.600 -0.110 0.000 1.048 763 K CA 0.946 57.219 56.287 -0.023 0.000 0.929 763 K CB -0.108 32.395 32.500 0.005 0.000 0.713 763 K HN 0.304 nan 8.250 nan 0.000 0.439 764 K N -0.111 120.117 120.400 -0.287 0.000 2.515 764 K HA -0.038 4.282 4.320 -0.000 0.000 0.196 764 K C 0.817 177.155 176.600 -0.437 0.000 1.038 764 K CA 0.786 56.771 56.287 -0.503 0.000 0.967 764 K CB 0.052 31.874 32.500 -1.129 0.000 0.780 764 K HN 0.414 nan 8.250 nan 0.000 0.483 765 G N 1.705 110.351 108.800 -0.256 0.000 2.225 765 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.264 765 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.264 765 G C 0.156 175.193 174.900 0.227 0.000 1.060 765 G CA -0.207 44.896 45.100 0.006 0.000 0.833 765 G HN 0.240 nan 8.290 nan 0.000 0.498 766 F N -0.992 118.943 119.950 -0.024 0.000 2.678 766 F HA 0.563 5.089 4.527 -0.000 0.000 0.305 766 F C 1.171 176.899 175.800 -0.121 0.000 1.090 766 F CA -0.883 57.055 58.000 -0.103 0.000 1.272 766 F CB 0.088 38.949 39.000 -0.232 0.000 1.060 766 F HN 0.189 nan 8.300 nan 0.000 0.576 767 L N -1.730 119.512 121.223 0.033 0.000 2.415 767 L HA 0.402 4.742 4.340 -0.000 0.000 0.256 767 L C -0.458 176.311 176.870 -0.168 0.000 1.010 767 L CA -0.968 53.712 54.840 -0.268 0.000 0.826 767 L CB 1.870 43.631 42.059 -0.497 0.000 1.405 767 L HN -0.149 nan 8.230 nan 0.000 0.410 768 F N 0.655 120.651 119.950 0.077 0.000 3.021 768 F HA -0.297 4.229 4.527 -0.000 0.000 0.256 768 F C 1.045 176.872 175.800 0.046 0.000 0.976 768 F CA 0.584 58.616 58.000 0.053 0.000 0.861 768 F CB -1.756 37.272 39.000 0.047 0.000 0.778 768 F HN 0.595 nan 8.300 nan 0.000 0.765 769 R N -1.340 119.242 120.500 0.136 0.000 3.641 769 R HA -0.108 4.232 4.340 -0.000 0.000 0.286 769 R C 1.350 177.714 176.300 0.108 0.000 1.153 769 R CA 1.520 57.683 56.100 0.105 0.000 0.775 769 R CB -1.922 28.436 30.300 0.096 0.000 1.215 769 R HN 1.539 nan 8.270 nan 0.000 0.474 770 G N -1.274 107.599 108.800 0.120 0.000 2.196 770 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.268 770 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.268 770 G C 0.017 174.981 174.900 0.106 0.000 0.975 770 G CA 0.677 45.836 45.100 0.098 0.000 0.648 770 G HN 0.489 nan 8.290 nan 0.000 0.538 771 Q N 0.390 120.269 119.800 0.133 0.000 2.314 771 Q HA 0.458 4.798 4.340 -0.000 0.000 0.257 771 Q C 0.473 176.525 176.000 0.088 0.000 0.975 771 Q CA -0.477 55.383 55.803 0.094 0.000 0.933 771 Q CB 1.116 29.900 28.738 0.076 0.000 1.195 771 Q HN 0.347 nan 8.270 nan 0.000 0.426 772 I N 2.349 122.948 120.570 0.048 0.000 2.421 772 I HA 0.020 4.190 4.170 -0.000 0.000 0.291 772 I C 0.801 176.891 176.117 -0.045 0.000 1.089 772 I CA 0.292 61.600 61.300 0.014 0.000 1.354 772 I CB 0.546 38.555 38.000 0.015 0.000 1.413 772 I HN 0.535 nan 8.210 nan 0.000 0.513 773 S N 4.210 119.840 115.700 -0.118 0.000 2.593 773 S HA 0.015 4.485 4.470 -0.000 0.000 0.269 773 S C 1.215 175.741 174.600 -0.123 0.000 1.334 773 S CA -0.227 57.884 58.200 -0.148 0.000 1.015 773 S CB 1.183 64.227 63.200 -0.260 0.000 0.912 773 S HN 0.661 nan 8.310 nan 0.000 0.541 774 E N 1.527 121.661 120.200 -0.111 0.000 2.152 774 E HA -0.043 4.307 4.350 -0.000 0.000 0.192 774 E C 1.724 178.251 176.600 -0.123 0.000 0.983 774 E CA 1.786 58.128 56.400 -0.097 0.000 0.818 774 E CB -0.438 29.214 29.700 -0.081 0.000 0.758 774 E HN 0.740 nan 8.360 nan 0.000 0.467 775 T N 0.643 115.103 114.554 -0.158 0.000 2.867 775 T HA -0.091 4.259 4.350 -0.000 0.000 0.268 775 T C 1.485 176.050 174.700 -0.224 0.000 1.057 775 T CA 0.863 62.844 62.100 -0.198 0.000 1.136 775 T CB -0.176 68.552 68.868 -0.232 0.000 0.874 775 T HN 0.091 nan 8.240 nan 0.000 0.466 776 L N 0.825 121.924 121.223 -0.207 0.000 2.376 776 L HA 0.155 4.495 4.340 -0.000 0.000 0.219 776 L C 1.910 178.720 176.870 -0.099 0.000 1.133 776 L CA 1.527 56.270 54.840 -0.161 0.000 0.816 776 L CB -0.365 41.598 42.059 -0.159 0.000 0.933 776 L HN 0.046 nan 8.230 nan 0.000 0.449 777 K N -1.383 118.955 120.400 -0.105 0.000 2.400 777 K HA 0.117 4.437 4.320 -0.000 0.000 0.194 777 K C 0.311 176.857 176.600 -0.090 0.000 1.033 777 K CA 0.106 56.342 56.287 -0.085 0.000 1.021 777 K CB 0.075 32.530 32.500 -0.076 0.000 0.808 777 K HN 0.228 nan 8.250 nan 0.000 0.505 778 T N 3.190 117.678 114.554 -0.111 0.000 2.851 778 T HA 0.110 4.460 4.350 -0.000 0.000 0.298 778 T C 0.118 174.758 174.700 -0.100 0.000 0.977 778 T CA -0.335 61.701 62.100 -0.107 0.000 1.126 778 T CB 0.568 69.356 68.868 -0.133 0.000 0.916 778 T HN 0.248 nan 8.240 nan 0.000 0.529 779 R N 1.896 122.356 120.500 -0.067 0.000 2.490 779 R HA 0.547 4.886 4.340 -0.000 0.000 0.278 779 R C 1.009 177.280 176.300 -0.047 0.000 1.069 779 R CA -0.415 55.662 56.100 -0.039 0.000 1.080 779 R CB 0.164 30.456 30.300 -0.014 0.000 1.030 779 R HN 0.805 nan 8.270 nan 0.000 0.491 780 G N 1.640 110.425 108.800 -0.024 0.000 2.160 780 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.251 780 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.251 780 G C 0.372 175.236 174.900 -0.060 0.000 1.008 780 G CA 0.316 45.402 45.100 -0.025 0.000 0.724 780 G HN 0.699 nan 8.290 nan 0.000 0.514 781 I N -0.710 119.765 120.570 -0.158 0.000 2.546 781 I HA 0.280 4.450 4.170 -0.000 0.000 0.255 781 I C 0.818 176.713 176.117 -0.370 0.000 1.163 781 I CA 0.604 61.701 61.300 -0.338 0.000 1.457 781 I CB -0.021 37.642 38.000 -0.562 0.000 1.092 781 I HN 0.138 nan 8.210 nan 0.000 0.434 782 F N 2.263 122.214 119.950 0.001 0.000 2.467 782 F HA 0.304 4.831 4.527 -0.000 0.000 0.349 782 F C 0.781 176.634 175.800 0.089 0.000 1.182 782 F CA -0.878 57.149 58.000 0.046 0.000 1.279 782 F CB -0.726 38.290 39.000 0.027 0.000 1.626 782 F HN 0.021 nan 8.300 nan 0.000 0.596 783 E N -0.231 120.137 120.200 0.280 0.000 2.409 783 E HA 0.049 4.399 4.350 -0.000 0.000 0.257 783 E C 1.151 177.855 176.600 0.175 0.000 1.150 783 E CA 0.005 56.520 56.400 0.192 0.000 0.942 783 E CB 0.543 30.345 29.700 0.171 0.000 0.979 783 E HN 0.340 nan 8.360 nan 0.000 0.447 784 T N 1.135 115.737 114.554 0.081 0.000 2.737 784 T HA -0.236 4.114 4.350 -0.000 0.000 0.269 784 T C 1.722 176.443 174.700 0.035 0.000 1.040 784 T CA 1.840 63.974 62.100 0.056 0.000 1.142 784 T CB -0.135 68.736 68.868 0.006 0.000 0.861 784 T HN 0.400 nan 8.240 nan 0.000 0.456 785 K N 0.777 121.153 120.400 -0.040 0.000 2.002 785 K HA -0.048 4.272 4.320 -0.000 0.000 0.209 785 K C 1.682 178.173 176.600 -0.181 0.000 1.048 785 K CA 1.542 57.724 56.287 -0.175 0.000 0.930 785 K CB -0.571 31.723 32.500 -0.344 0.000 0.714 785 K HN 0.278 nan 8.250 nan 0.000 0.438 786 F N 0.176 120.155 119.950 0.048 0.000 2.407 786 F HA 0.029 4.556 4.527 -0.000 0.000 0.299 786 F C 1.843 177.696 175.800 0.088 0.000 1.097 786 F CA 0.418 58.460 58.000 0.071 0.000 1.422 786 F CB -0.291 38.769 39.000 0.101 0.000 1.067 786 F HN 0.054 nan 8.300 nan 0.000 0.539 787 L N -0.919 120.452 121.223 0.246 0.000 2.109 787 L HA -0.094 4.246 4.340 -0.000 0.000 0.207 787 L C 2.327 179.271 176.870 0.123 0.000 1.086 787 L CA 1.472 56.423 54.840 0.184 0.000 0.760 787 L CB -0.782 41.382 42.059 0.175 0.000 0.910 787 L HN -0.095 nan 8.230 nan 0.000 0.437 788 S N -1.111 114.627 115.700 0.064 0.000 2.428 788 S HA -0.115 4.355 4.470 -0.000 0.000 0.230 788 S C 1.770 176.289 174.600 -0.137 0.000 1.014 788 S CA 0.747 58.886 58.200 -0.101 0.000 0.957 788 S CB -0.090 63.060 63.200 -0.083 0.000 0.784 788 S HN 0.521 nan 8.310 nan 0.000 0.499 789 Q N 0.791 120.571 119.800 -0.034 0.000 1.984 789 Q HA 0.077 4.417 4.340 -0.000 0.000 0.196 789 Q C 2.179 178.188 176.000 0.016 0.000 0.975 789 Q CA 0.977 56.775 55.803 -0.010 0.000 0.827 789 Q CB -0.444 28.328 28.738 0.057 0.000 0.894 789 Q HN 0.474 nan 8.270 nan 0.000 0.438 790 I N 1.341 121.955 120.570 0.074 0.000 2.290 790 I HA -0.296 3.874 4.170 -0.000 0.000 0.253 790 I C 1.695 177.834 176.117 0.036 0.000 1.112 790 I CA 1.414 62.755 61.300 0.069 0.000 1.377 790 I CB -0.286 37.766 38.000 0.086 0.000 1.060 790 I HN 0.267 nan 8.210 nan 0.000 0.428 791 E N 0.038 120.243 120.200 0.008 0.000 2.479 791 E HA 0.046 4.396 4.350 -0.000 0.000 0.193 791 E C 0.736 177.344 176.600 0.012 0.000 1.049 791 E CA -0.194 56.228 56.400 0.036 0.000 0.870 791 E CB 0.292 30.016 29.700 0.041 0.000 0.944 791 E HN 0.213 nan 8.360 nan 0.000 0.492 792 S N 1.233 116.898 115.700 -0.057 0.000 2.549 792 S HA -0.044 4.425 4.470 -0.000 0.000 0.286 792 S C 0.851 175.445 174.600 -0.010 0.000 1.314 792 S CA -0.349 57.802 58.200 -0.082 0.000 1.062 792 S CB 0.582 63.738 63.200 -0.073 0.000 0.865 792 S HN 0.127 nan 8.310 nan 0.000 0.498 793 D N 3.445 123.841 120.400 -0.008 0.000 2.183 793 D HA -0.045 4.595 4.640 -0.000 0.000 0.203 793 D C 1.237 177.541 176.300 0.005 0.000 0.969 793 D CA 0.758 54.775 54.000 0.028 0.000 0.842 793 D CB 0.126 40.949 40.800 0.039 0.000 0.957 793 D HN 0.508 nan 8.370 nan 0.000 0.484 794 R N 0.424 120.917 120.500 -0.012 0.000 2.325 794 R HA 0.207 4.547 4.340 -0.000 0.000 0.214 794 R C 0.554 176.851 176.300 -0.005 0.000 0.961 794 R CA -0.061 56.033 56.100 -0.010 0.000 1.086 794 R CB -0.054 30.234 30.300 -0.019 0.000 1.037 794 R HN 0.225 nan 8.270 nan 0.000 0.493 795 L N 0.881 122.104 121.223 -0.001 0.000 2.317 795 L HA 0.488 4.828 4.340 -0.000 0.000 0.281 795 L C -0.009 176.868 176.870 0.011 0.000 1.024 795 L CA -0.843 54.001 54.840 0.007 0.000 0.810 795 L CB 1.800 43.866 42.059 0.012 0.000 1.240 795 L HN 0.011 nan 8.230 nan 0.000 0.427 796 A N 2.985 125.813 122.820 0.012 0.000 2.316 796 A HA 0.362 4.682 4.320 -0.000 0.000 0.284 796 A C 0.786 178.380 177.584 0.016 0.000 1.115 796 A CA -0.450 51.594 52.037 0.012 0.000 0.812 796 A CB 0.827 19.833 19.000 0.010 0.000 1.064 796 A HN 0.858 nan 8.150 nan 0.000 0.489 797 L N 1.391 122.622 121.223 0.014 0.000 2.189 797 L HA -0.198 4.142 4.340 -0.000 0.000 0.214 797 L C 2.069 178.952 176.870 0.021 0.000 1.097 797 L CA 1.276 56.126 54.840 0.017 0.000 0.764 797 L CB -0.295 41.770 42.059 0.010 0.000 0.900 797 L HN 0.810 nan 8.230 nan 0.000 0.436 798 L N -1.514 119.720 121.223 0.018 0.000 2.291 798 L HA -0.161 4.179 4.340 -0.000 0.000 0.214 798 L C 2.378 179.262 176.870 0.024 0.000 1.120 798 L CA 0.767 55.618 54.840 0.019 0.000 0.799 798 L CB -0.277 41.790 42.059 0.013 0.000 0.925 798 L HN 0.362 nan 8.230 nan 0.000 0.446 799 Q N -0.940 118.876 119.800 0.026 0.000 2.134 799 Q HA -0.084 4.256 4.340 -0.000 0.000 0.195 799 Q C 2.383 178.410 176.000 0.045 0.000 0.958 799 Q CA 0.887 56.709 55.803 0.033 0.000 0.840 799 Q CB -0.054 28.702 28.738 0.029 0.000 0.918 799 Q HN 0.278 nan 8.270 nan 0.000 0.467 800 V N 1.738 121.680 119.914 0.046 0.000 2.282 800 V HA -0.303 3.817 4.120 -0.000 0.000 0.249 800 V C 2.432 178.564 176.094 0.064 0.000 1.057 800 V CA 1.927 64.263 62.300 0.059 0.000 1.032 800 V CB -0.668 31.185 31.823 0.050 0.000 0.645 800 V HN 0.350 nan 8.190 nan 0.000 0.447 801 R N 0.178 120.710 120.500 0.053 0.000 2.096 801 R HA -0.146 4.194 4.340 -0.000 0.000 0.235 801 R C 2.259 178.589 176.300 0.049 0.000 1.127 801 R CA 1.761 57.895 56.100 0.056 0.000 0.968 801 R CB -0.473 29.854 30.300 0.045 0.000 0.861 801 R HN 0.509 nan 8.270 nan 0.000 0.440 802 A N 1.134 123.978 122.820 0.040 0.000 1.898 802 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 802 A C 2.301 179.902 177.584 0.029 0.000 1.181 802 A CA 1.136 53.192 52.037 0.031 0.000 0.620 802 A CB -0.458 18.560 19.000 0.031 0.000 0.819 802 A HN 0.309 nan 8.150 nan 0.000 0.442 803 I N -0.284 120.315 120.570 0.048 0.000 2.127 803 I HA -0.304 3.865 4.170 -0.000 0.000 0.241 803 I C 2.498 178.599 176.117 -0.026 0.000 1.075 803 I CA 1.396 62.724 61.300 0.048 0.000 1.334 803 I CB -0.363 37.709 38.000 0.120 0.000 1.040 803 I HN 0.328 nan 8.210 nan 0.000 0.405 804 L N -0.022 121.214 121.223 0.020 0.000 1.990 804 L HA -0.294 4.046 4.340 -0.000 0.000 0.213 804 L C 2.703 179.554 176.870 -0.032 0.000 1.072 804 L CA 1.642 56.495 54.840 0.021 0.000 0.755 804 L CB -0.711 41.420 42.059 0.120 0.000 0.889 804 L HN 0.360 nan 8.230 nan 0.000 0.432 805 Q N -0.581 119.218 119.800 -0.003 0.000 2.226 805 Q HA -0.266 4.074 4.340 -0.000 0.000 0.204 805 Q C 2.140 178.106 176.000 -0.058 0.000 0.975 805 Q CA 1.315 57.106 55.803 -0.021 0.000 0.866 805 Q CB -0.119 28.622 28.738 0.004 0.000 0.915 805 Q HN 0.607 nan 8.270 nan 0.000 0.440 806 Q N 0.070 119.830 119.800 -0.067 0.000 2.230 806 Q HA -0.019 4.321 4.340 -0.000 0.000 0.202 806 Q C 2.008 177.912 176.000 -0.161 0.000 0.963 806 Q CA 0.505 56.257 55.803 -0.084 0.000 0.866 806 Q CB 0.202 28.912 28.738 -0.047 0.000 0.931 806 Q HN 0.381 nan 8.270 nan 0.000 0.452 807 L N -1.554 119.527 121.223 -0.238 0.000 2.109 807 L HA -0.027 4.313 4.340 -0.000 0.000 0.207 807 L C 1.189 177.914 176.870 -0.241 0.000 1.086 807 L CA 1.211 55.853 54.840 -0.331 0.000 0.760 807 L CB 0.091 41.901 42.059 -0.416 0.000 0.910 807 L HN 0.490 nan 8.230 nan 0.000 0.437 808 G N -0.517 108.170 108.800 -0.187 0.000 2.240 808 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.181 808 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.181 808 G C -0.175 174.619 174.900 -0.176 0.000 1.028 808 G CA -0.683 44.320 45.100 -0.161 0.000 0.760 808 G HN 0.091 nan 8.290 nan 0.000 0.508 809 L N 1.081 122.202 121.223 -0.170 0.000 2.265 809 L HA 0.422 4.761 4.340 -0.000 0.000 0.289 809 L C 0.596 177.424 176.870 -0.069 0.000 1.033 809 L CA -0.642 54.074 54.840 -0.206 0.000 0.814 809 L CB 1.465 43.397 42.059 -0.213 0.000 1.203 809 L HN 0.141 nan 8.230 nan 0.000 0.423 810 N N 2.491 121.156 118.700 -0.058 0.000 3.027 810 N HA 0.010 4.750 4.740 -0.000 0.000 0.309 810 N C -0.145 175.487 175.510 0.202 0.000 1.222 810 N CA -0.358 52.722 53.050 0.051 0.000 1.187 810 N CB 0.409 38.919 38.487 0.038 0.000 1.458 810 N HN 0.692 nan 8.380 nan 0.000 0.535 811 S N 0.110 115.948 115.700 0.230 0.000 2.632 811 S HA 0.415 4.885 4.470 -0.000 0.000 0.271 811 S C 0.523 175.212 174.600 0.149 0.000 1.260 811 S CA -0.762 57.624 58.200 0.309 0.000 1.010 811 S CB 1.837 65.235 63.200 0.330 0.000 0.965 811 S HN 0.339 nan 8.310 nan 0.000 0.534 812 T N -2.586 112.027 114.554 0.098 0.000 2.927 812 T HA 0.351 4.701 4.350 -0.000 0.000 0.286 812 T C 1.115 175.834 174.700 0.032 0.000 1.040 812 T CA -0.702 61.429 62.100 0.052 0.000 1.010 812 T CB 0.680 69.568 68.868 0.033 0.000 1.177 812 T HN 0.636 nan 8.240 nan 0.000 0.546 813 C N 0.560 119.873 119.300 0.022 0.000 2.403 813 C HA -0.093 4.367 4.460 -0.000 0.000 0.277 813 C C 2.457 177.448 174.990 0.001 0.000 1.248 813 C CA 1.319 60.346 59.018 0.014 0.000 1.762 813 C CB -1.341 26.406 27.740 0.012 0.000 2.014 813 C HN 0.900 nan 8.230 nan 0.000 0.486 814 D N 0.234 120.628 120.400 -0.010 0.000 2.123 814 D HA -0.087 4.553 4.640 -0.000 0.000 0.200 814 D C 1.799 178.069 176.300 -0.050 0.000 0.976 814 D CA 1.162 55.145 54.000 -0.030 0.000 0.831 814 D CB -0.494 40.286 40.800 -0.033 0.000 0.974 814 D HN 0.496 nan 8.370 nan 0.000 0.469 815 D N 0.374 120.733 120.400 -0.069 0.000 2.092 815 D HA -0.110 4.530 4.640 -0.000 0.000 0.193 815 D C 2.148 178.409 176.300 -0.065 0.000 0.994 815 D CA 0.933 54.845 54.000 -0.147 0.000 0.828 815 D CB -0.348 40.339 40.800 -0.189 0.000 0.963 815 D HN 0.034 nan 8.370 nan 0.000 0.450 816 S N 0.661 116.360 115.700 -0.000 0.000 2.380 816 S HA -0.193 4.276 4.470 -0.000 0.000 0.229 816 S C 2.223 176.827 174.600 0.008 0.000 1.043 816 S CA 0.857 59.074 58.200 0.027 0.000 1.038 816 S CB -0.367 62.855 63.200 0.036 0.000 0.872 816 S HN 0.272 nan 8.310 nan 0.000 0.456 817 I N 0.701 121.267 120.570 -0.007 0.000 2.286 817 I HA -0.157 4.013 4.170 -0.000 0.000 0.248 817 I C 2.234 178.346 176.117 -0.010 0.000 1.115 817 I CA 0.689 61.982 61.300 -0.011 0.000 1.392 817 I CB -0.331 37.655 38.000 -0.022 0.000 1.065 817 I HN 0.206 nan 8.210 nan 0.000 0.418 818 L N 0.295 121.508 121.223 -0.016 0.000 1.988 818 L HA -0.109 4.231 4.340 -0.000 0.000 0.207 818 L C 2.512 179.386 176.870 0.006 0.000 1.071 818 L CA 1.760 56.602 54.840 0.003 0.000 0.744 818 L CB -0.659 41.397 42.059 -0.005 0.000 0.893 818 L HN 0.008 nan 8.230 nan 0.000 0.433 819 V N 0.240 120.150 119.914 -0.007 0.000 2.324 819 V HA -0.368 3.752 4.120 -0.000 0.000 0.250 819 V C 2.654 178.719 176.094 -0.049 0.000 1.060 819 V CA 2.234 64.520 62.300 -0.023 0.000 1.042 819 V CB -0.900 30.943 31.823 0.034 0.000 0.650 819 V HN 0.544 nan 8.190 nan 0.000 0.450 820 K N -0.280 120.109 120.400 -0.017 0.000 2.097 820 K HA -0.180 4.140 4.320 -0.000 0.000 0.206 820 K C 2.149 178.733 176.600 -0.027 0.000 1.049 820 K CA 1.883 58.162 56.287 -0.014 0.000 0.933 820 K CB -0.230 32.273 32.500 0.005 0.000 0.717 820 K HN 0.552 nan 8.250 nan 0.000 0.442 821 T N 0.698 115.236 114.554 -0.027 0.000 2.737 821 T HA -0.104 4.245 4.350 -0.000 0.000 0.265 821 T C 1.902 176.561 174.700 -0.069 0.000 1.038 821 T CA 1.375 63.455 62.100 -0.032 0.000 1.144 821 T CB -0.194 68.669 68.868 -0.009 0.000 0.866 821 T HN -0.011 nan 8.240 nan 0.000 0.434 822 V N 1.317 121.177 119.914 -0.090 0.000 2.233 822 V HA -0.260 3.860 4.120 -0.000 0.000 0.247 822 V C 2.912 178.869 176.094 -0.229 0.000 1.050 822 V CA 1.667 63.852 62.300 -0.193 0.000 1.010 822 V CB -1.059 30.622 31.823 -0.236 0.000 0.637 822 V HN 0.603 nan 8.190 nan 0.000 0.444 823 C N 0.814 120.004 119.300 -0.183 0.000 2.363 823 C HA -0.214 4.245 4.460 -0.000 0.000 0.274 823 C C 2.970 177.917 174.990 -0.072 0.000 1.183 823 C CA 1.157 60.093 59.018 -0.137 0.000 1.771 823 C CB -1.827 25.868 27.740 -0.074 0.000 2.059 823 C HN 0.745 nan 8.230 nan 0.000 0.455 824 G N -0.050 108.726 108.800 -0.041 0.000 2.440 824 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.218 824 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.218 824 G C 1.620 176.489 174.900 -0.052 0.000 1.154 824 G CA 1.428 46.522 45.100 -0.011 0.000 0.767 824 G HN 0.435 nan 8.290 nan 0.000 0.552 825 V N 0.400 120.246 119.914 -0.113 0.000 2.343 825 V HA -0.167 3.953 4.120 -0.000 0.000 0.247 825 V C 3.001 178.993 176.094 -0.169 0.000 1.051 825 V CA 1.516 63.736 62.300 -0.133 0.000 1.036 825 V CB -0.486 31.207 31.823 -0.216 0.000 0.654 825 V HN 0.252 nan 8.190 nan 0.000 0.451 826 V N 0.987 120.734 119.914 -0.278 0.000 2.307 826 V HA -0.209 3.911 4.120 -0.000 0.000 0.245 826 V C 2.728 178.787 176.094 -0.058 0.000 1.045 826 V CA 2.294 64.457 62.300 -0.227 0.000 1.024 826 V CB -0.694 30.961 31.823 -0.279 0.000 0.651 826 V HN 0.764 nan 8.190 nan 0.000 0.449 827 S N 0.275 115.950 115.700 -0.043 0.000 2.447 827 S HA -0.207 4.263 4.470 -0.000 0.000 0.233 827 S C 2.077 176.661 174.600 -0.027 0.000 1.006 827 S CA 1.289 59.475 58.200 -0.024 0.000 0.957 827 S CB -0.439 62.727 63.200 -0.058 0.000 0.773 827 S HN 0.570 nan 8.310 nan 0.000 0.507 828 R N 1.396 121.880 120.500 -0.027 0.000 2.062 828 R HA 0.063 4.403 4.340 -0.000 0.000 0.229 828 R C 2.689 178.950 176.300 -0.065 0.000 1.128 828 R CA 1.082 57.148 56.100 -0.057 0.000 0.960 828 R CB -0.397 29.887 30.300 -0.026 0.000 0.855 828 R HN 0.453 nan 8.270 nan 0.000 0.432 829 R N 0.159 120.660 120.500 0.003 0.000 2.105 829 R HA -0.125 4.215 4.340 -0.000 0.000 0.239 829 R C 2.115 178.423 176.300 0.012 0.000 1.135 829 R CA 1.471 57.591 56.100 0.033 0.000 0.967 829 R CB -0.262 30.124 30.300 0.143 0.000 0.861 829 R HN 0.323 nan 8.270 nan 0.000 0.442 830 A N 0.764 123.604 122.820 0.034 0.000 1.865 830 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 830 A C 2.364 179.965 177.584 0.029 0.000 1.191 830 A CA 1.871 53.968 52.037 0.101 0.000 0.623 830 A CB -0.914 18.224 19.000 0.229 0.000 0.826 830 A HN 0.514 nan 8.150 nan 0.000 0.444 831 A N -0.671 121.952 122.820 -0.328 0.000 1.908 831 A HA -0.229 4.090 4.320 -0.000 0.000 0.218 831 A C 2.155 179.504 177.584 -0.392 0.000 1.181 831 A CA 1.730 53.185 52.037 -0.969 0.000 0.627 831 A CB -0.628 17.672 19.000 -1.168 0.000 0.818 831 A HN 0.692 nan 8.150 nan 0.000 0.445 832 Q N -0.482 119.189 119.800 -0.215 0.000 2.046 832 Q HA -0.080 4.260 4.340 -0.000 0.000 0.200 832 Q C 2.142 178.125 176.000 -0.029 0.000 0.975 832 Q CA 1.370 57.110 55.803 -0.104 0.000 0.836 832 Q CB -0.378 28.314 28.738 -0.077 0.000 0.896 832 Q HN 0.652 nan 8.270 nan 0.000 0.428 833 L N 0.214 121.438 121.223 0.000 0.000 2.131 833 L HA -0.207 4.132 4.340 -0.000 0.000 0.210 833 L C 2.707 179.642 176.870 0.109 0.000 1.092 833 L CA 0.618 55.507 54.840 0.082 0.000 0.759 833 L CB -0.381 41.724 42.059 0.076 0.000 0.903 833 L HN 0.425 nan 8.230 nan 0.000 0.435 834 C N -0.043 119.281 119.300 0.041 0.000 2.466 834 C HA -0.027 4.432 4.460 -0.000 0.000 0.278 834 C C 2.880 177.973 174.990 0.171 0.000 1.288 834 C CA 0.795 59.878 59.018 0.108 0.000 1.722 834 C CB -1.147 26.746 27.740 0.255 0.000 2.017 834 C HN 0.646 nan 8.230 nan 0.000 0.488 835 G N 0.202 109.054 108.800 0.088 0.000 2.421 835 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.216 835 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.216 835 G C 1.990 176.964 174.900 0.124 0.000 1.171 835 G CA 1.094 46.260 45.100 0.111 0.000 0.775 835 G HN 0.722 nan 8.290 nan 0.000 0.543 836 A N 0.833 123.705 122.820 0.086 0.000 1.940 836 A HA 0.112 4.432 4.320 -0.000 0.000 0.219 836 A C 2.656 180.274 177.584 0.055 0.000 1.176 836 A CA 2.218 54.294 52.037 0.065 0.000 0.631 836 A CB -1.030 18.007 19.000 0.061 0.000 0.814 836 A HN 0.534 nan 8.150 nan 0.000 0.446 837 G N -0.960 107.885 108.800 0.076 0.000 2.434 837 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.214 837 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.214 837 G C 1.492 176.549 174.900 0.261 0.000 1.202 837 G CA 1.405 46.520 45.100 0.026 0.000 0.788 837 G HN 0.383 nan 8.290 nan 0.000 0.539 838 M N 1.669 121.514 119.600 0.408 0.000 2.144 838 M HA 0.059 4.539 4.480 -0.000 0.000 0.260 838 M C 2.632 179.049 176.300 0.194 0.000 1.067 838 M CA 1.358 56.886 55.300 0.381 0.000 1.095 838 M CB -0.547 32.326 32.600 0.455 0.000 1.365 838 M HN 0.266 nan 8.290 nan 0.000 0.406 839 A N -0.830 122.082 122.820 0.154 0.000 2.019 839 A HA 0.043 4.363 4.320 -0.000 0.000 0.219 839 A C 2.295 179.892 177.584 0.022 0.000 1.164 839 A CA 1.863 53.950 52.037 0.084 0.000 0.644 839 A CB -1.151 17.893 19.000 0.072 0.000 0.805 839 A HN 0.598 nan 8.150 nan 0.000 0.449 840 A N -0.684 122.137 122.820 0.001 0.000 1.930 840 A HA 0.143 4.463 4.320 -0.000 0.000 0.215 840 A C 2.177 179.690 177.584 -0.118 0.000 1.176 840 A CA 1.409 53.409 52.037 -0.062 0.000 0.632 840 A CB -0.663 18.277 19.000 -0.101 0.000 0.819 840 A HN 0.318 nan 8.150 nan 0.000 0.445 841 V N 0.540 120.373 119.914 -0.135 0.000 2.237 841 V HA -0.254 3.866 4.120 -0.000 0.000 0.245 841 V C 2.766 178.710 176.094 -0.249 0.000 1.046 841 V CA 2.098 64.205 62.300 -0.322 0.000 1.007 841 V CB -1.261 30.375 31.823 -0.312 0.000 0.638 841 V HN 0.556 nan 8.190 nan 0.000 0.445 842 V N -1.143 118.697 119.914 -0.123 0.000 2.324 842 V HA -0.296 3.823 4.120 -0.000 0.000 0.250 842 V C 2.162 178.216 176.094 -0.066 0.000 1.060 842 V CA 2.621 64.872 62.300 -0.082 0.000 1.042 842 V CB -0.988 30.806 31.823 -0.048 0.000 0.650 842 V HN 0.458 nan 8.190 nan 0.000 0.450 843 D N 0.478 120.843 120.400 -0.059 0.000 2.144 843 D HA -0.141 4.499 4.640 -0.000 0.000 0.200 843 D C 2.165 178.434 176.300 -0.051 0.000 0.978 843 D CA 1.795 55.769 54.000 -0.043 0.000 0.833 843 D CB -0.177 40.604 40.800 -0.032 0.000 0.961 843 D HN 0.664 nan 8.370 nan 0.000 0.470 844 K N 0.366 120.714 120.400 -0.087 0.000 2.097 844 K HA -0.066 4.254 4.320 -0.000 0.000 0.206 844 K C 2.100 178.680 176.600 -0.034 0.000 1.049 844 K CA 0.894 57.136 56.287 -0.075 0.000 0.933 844 K CB -0.133 32.284 32.500 -0.139 0.000 0.717 844 K HN 0.106 nan 8.250 nan 0.000 0.442 845 I N 0.598 121.142 120.570 -0.044 0.000 2.202 845 I HA -0.253 3.917 4.170 -0.000 0.000 0.242 845 I C 2.756 178.878 176.117 0.008 0.000 1.091 845 I CA 1.210 62.522 61.300 0.020 0.000 1.368 845 I CB -0.360 37.656 38.000 0.027 0.000 1.058 845 I HN 0.259 nan 8.210 nan 0.000 0.410 846 R N 1.601 122.095 120.500 -0.011 0.000 2.088 846 R HA -0.220 4.120 4.340 -0.000 0.000 0.232 846 R C 2.142 178.440 176.300 -0.004 0.000 1.136 846 R CA 2.113 58.208 56.100 -0.008 0.000 0.926 846 R CB -0.258 30.034 30.300 -0.014 0.000 0.837 846 R HN 0.366 nan 8.270 nan 0.000 0.429 847 E N -0.022 120.174 120.200 -0.006 0.000 2.204 847 E HA -0.181 4.169 4.350 -0.000 0.000 0.195 847 E C 1.847 178.449 176.600 0.004 0.000 0.990 847 E CA 1.206 57.604 56.400 -0.003 0.000 0.821 847 E CB -0.231 29.465 29.700 -0.007 0.000 0.750 847 E HN 0.543 nan 8.360 nan 0.000 0.477 848 N N 0.681 119.387 118.700 0.011 0.000 2.120 848 N HA -0.124 4.616 4.740 -0.000 0.000 0.188 848 N C 1.345 176.864 175.510 0.014 0.000 1.024 848 N CA 0.661 53.724 53.050 0.021 0.000 0.852 848 N CB 0.061 38.575 38.487 0.045 0.000 1.003 848 N HN 0.009 nan 8.380 nan 0.000 0.424 849 R N 0.212 120.719 120.500 0.011 0.000 2.391 849 R HA 0.131 4.470 4.340 -0.000 0.000 0.249 849 R C 0.470 176.771 176.300 0.003 0.000 0.957 849 R CA 0.032 56.135 56.100 0.006 0.000 1.093 849 R CB 0.412 30.715 30.300 0.006 0.000 1.156 849 R HN 0.116 nan 8.270 nan 0.000 0.526 850 G N 1.778 110.580 108.800 0.002 0.000 2.371 850 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.299 850 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.299 850 G C -0.162 174.738 174.900 -0.001 0.000 1.014 850 G CA 0.299 45.400 45.100 0.001 0.000 1.097 850 G HN 0.195 nan 8.290 nan 0.000 0.512 851 L N -1.167 120.055 121.223 -0.001 0.000 2.304 851 L HA 0.676 5.016 4.340 -0.000 0.000 0.268 851 L C 0.624 177.493 176.870 -0.003 0.000 1.010 851 L CA -1.065 53.773 54.840 -0.003 0.000 0.813 851 L CB 1.284 43.341 42.059 -0.004 0.000 1.315 851 L HN -0.043 nan 8.230 nan 0.000 0.445 852 D N -0.067 120.331 120.400 -0.003 0.000 2.500 852 D HA 0.148 4.788 4.640 -0.000 0.000 0.217 852 D C -0.242 176.056 176.300 -0.003 0.000 1.159 852 D CA 0.203 54.202 54.000 -0.002 0.000 0.828 852 D CB 0.924 41.724 40.800 -0.001 0.000 1.039 852 D HN 0.296 nan 8.370 nan 0.000 0.512 853 R N 0.922 121.420 120.500 -0.004 0.000 2.560 853 R HA 0.421 4.761 4.340 -0.000 0.000 0.267 853 R C -2.461 173.835 176.300 -0.008 0.000 1.150 853 R CA -0.682 55.415 56.100 -0.005 0.000 0.997 853 R CB 0.885 31.183 30.300 -0.004 0.000 1.250 853 R HN -0.081 nan 8.270 nan 0.000 0.433 854 L N 3.622 124.838 121.223 -0.011 0.000 2.410 854 L HA 0.629 4.969 4.340 -0.000 0.000 0.270 854 L C -1.610 175.245 176.870 -0.024 0.000 0.983 854 L CA -0.411 54.419 54.840 -0.017 0.000 0.822 854 L CB 2.378 44.426 42.059 -0.019 0.000 1.285 854 L HN 0.743 nan 8.230 nan 0.000 0.409 855 N N 4.695 123.379 118.700 -0.027 0.000 2.476 855 N HA 0.501 5.241 4.740 -0.000 0.000 0.257 855 N C -1.458 174.022 175.510 -0.049 0.000 0.970 855 N CA -0.234 52.794 53.050 -0.037 0.000 0.938 855 N CB 2.599 41.069 38.487 -0.028 0.000 1.144 855 N HN 0.445 nan 8.380 nan 0.000 0.500 856 V N 1.821 121.690 119.914 -0.074 0.000 2.841 856 V HA 0.513 4.633 4.120 -0.000 0.000 0.310 856 V C -0.495 175.511 176.094 -0.147 0.000 1.090 856 V CA -0.223 62.021 62.300 -0.092 0.000 0.930 856 V CB 2.342 34.113 31.823 -0.087 0.000 1.014 856 V HN 0.562 nan 8.190 nan 0.000 0.425 857 T N 4.956 119.427 114.554 -0.139 0.000 2.895 857 T HA 0.688 5.038 4.350 -0.000 0.000 0.283 857 T C -0.747 173.823 174.700 -0.216 0.000 1.014 857 T CA -0.334 61.656 62.100 -0.183 0.000 1.037 857 T CB 1.616 70.420 68.868 -0.108 0.000 1.006 857 T HN 0.597 nan 8.240 nan 0.000 0.468 858 V N 1.733 121.454 119.914 -0.322 0.000 2.495 858 V HA 0.686 4.806 4.120 -0.000 0.000 0.298 858 V C 0.591 176.617 176.094 -0.113 0.000 1.031 858 V CA -0.897 61.245 62.300 -0.264 0.000 0.871 858 V CB 1.876 33.418 31.823 -0.468 0.000 0.988 858 V HN 1.041 nan 8.190 nan 0.000 0.432 859 G N 3.439 112.203 108.800 -0.059 0.000 2.319 859 G HA2 0.601 4.561 3.960 -0.000 0.000 0.308 859 G HA3 0.601 4.561 3.960 -0.000 0.000 0.308 859 G C -0.523 174.358 174.900 -0.032 0.000 1.117 859 G CA -0.284 44.801 45.100 -0.023 0.000 0.903 859 G HN 0.929 nan 8.290 nan 0.000 0.436 860 V N -0.059 119.822 119.914 -0.054 0.000 2.960 860 V HA 0.920 5.040 4.120 -0.000 0.000 0.315 860 V C -1.035 174.968 176.094 -0.152 0.000 1.087 860 V CA -1.142 61.056 62.300 -0.170 0.000 0.982 860 V CB 2.327 33.865 31.823 -0.473 0.000 1.039 860 V HN 0.590 nan 8.190 nan 0.000 0.437 861 D N -0.337 119.979 120.400 -0.140 0.000 2.615 861 D HA 0.783 5.423 4.640 -0.000 0.000 0.267 861 D C -0.451 175.835 176.300 -0.023 0.000 1.236 861 D CA 0.849 54.823 54.000 -0.043 0.000 0.839 861 D CB 2.126 42.915 40.800 -0.018 0.000 1.380 861 D HN 1.666 nan 8.370 nan 0.000 0.433 862 G N -0.511 108.303 108.800 0.024 0.000 2.634 862 G HA2 0.130 4.090 3.960 -0.000 0.000 0.568 862 G HA3 0.130 4.090 3.960 -0.000 0.000 0.568 862 G C 0.661 175.586 174.900 0.041 0.000 1.495 862 G CA 0.335 45.447 45.100 0.021 0.000 0.903 862 G HN 0.578 nan 8.290 nan 0.000 0.646 863 T N 0.322 114.879 114.554 0.006 0.000 2.881 863 T HA -0.128 4.222 4.350 -0.000 0.000 0.270 863 T C 2.379 177.070 174.700 -0.014 0.000 1.068 863 T CA 1.978 64.078 62.100 -0.001 0.000 1.131 863 T CB -0.014 68.843 68.868 -0.019 0.000 0.871 863 T HN 1.056 nan 8.240 nan 0.000 0.479 864 L N -0.276 120.911 121.223 -0.060 0.000 2.068 864 L HA 0.184 4.524 4.340 -0.000 0.000 0.204 864 L C 2.365 179.147 176.870 -0.146 0.000 1.076 864 L CA 1.297 56.054 54.840 -0.137 0.000 0.753 864 L CB -0.941 40.937 42.059 -0.302 0.000 0.910 864 L HN 0.269 nan 8.230 nan 0.000 0.439 865 Y N 0.567 120.704 120.300 -0.271 0.000 2.181 865 Y HA -0.280 4.270 4.550 -0.000 0.000 0.288 865 Y C 2.662 178.570 175.900 0.013 0.000 1.146 865 Y CA 2.474 60.500 58.100 -0.123 0.000 1.164 865 Y CB -0.141 38.294 38.460 -0.041 0.000 0.982 865 Y HN 0.294 nan 8.280 nan 0.000 0.515 866 K N -0.059 120.452 120.400 0.185 0.000 2.007 866 K HA -0.098 4.221 4.320 -0.000 0.000 0.206 866 K C 1.958 178.562 176.600 0.008 0.000 1.047 866 K CA 1.636 57.994 56.287 0.118 0.000 0.937 866 K CB -0.335 32.244 32.500 0.133 0.000 0.718 866 K HN 0.401 nan 8.250 nan 0.000 0.438 867 L N 0.428 121.651 121.223 0.001 0.000 2.179 867 L HA -0.043 4.297 4.340 -0.000 0.000 0.208 867 L C 1.475 178.315 176.870 -0.051 0.000 1.096 867 L CA 0.310 55.131 54.840 -0.031 0.000 0.779 867 L CB -0.535 41.504 42.059 -0.034 0.000 0.922 867 L HN 0.390 nan 8.230 nan 0.000 0.443 868 H N 1.665 120.670 119.070 -0.107 0.000 2.886 868 H HA 0.026 4.582 4.556 -0.000 0.000 0.329 868 H C -1.581 173.637 175.328 -0.182 0.000 1.044 868 H CA -1.236 54.746 56.048 -0.110 0.000 1.456 868 H CB 1.796 31.532 29.762 -0.042 0.000 1.464 868 H HN -0.085 nan 8.280 nan 0.000 0.573 869 P HA -0.132 nan 4.420 nan 0.000 0.216 869 P C 0.489 177.407 177.300 -0.637 0.000 1.150 869 P CA 1.541 64.211 63.100 -0.717 0.000 0.837 869 P CB 0.313 31.372 31.700 -1.069 0.000 0.786 870 H N -4.665 114.471 119.070 0.109 0.000 3.170 870 H HA 0.225 4.781 4.556 -0.000 0.000 0.264 870 H C 1.521 176.903 175.328 0.090 0.000 1.113 870 H CA -0.438 55.677 56.048 0.112 0.000 1.194 870 H CB -0.424 29.389 29.762 0.085 0.000 1.553 870 H HN 0.081 nan 8.280 nan 0.000 0.538 871 F N 3.390 123.447 119.950 0.179 0.000 2.025 871 F HA -0.314 4.213 4.527 -0.000 0.000 0.297 871 F C 2.777 178.407 175.800 -0.283 0.000 1.132 871 F CA 2.235 60.152 58.000 -0.138 0.000 1.191 871 F CB -0.161 38.695 39.000 -0.240 0.000 0.963 871 F HN 0.152 nan 8.300 nan 0.000 0.481 872 S N 0.530 116.082 115.700 -0.248 0.000 2.387 872 S HA -0.327 4.143 4.470 -0.000 0.000 0.230 872 S C 2.283 176.285 174.600 -0.996 0.000 1.035 872 S CA 1.475 59.223 58.200 -0.753 0.000 1.014 872 S CB -0.913 61.603 63.200 -1.141 0.000 0.836 872 S HN 0.601 nan 8.310 nan 0.000 0.466 873 R N 1.013 121.199 120.500 -0.524 0.000 2.070 873 R HA 0.022 4.362 4.340 -0.000 0.000 0.232 873 R C 2.407 178.546 176.300 -0.268 0.000 1.138 873 R CA 1.871 57.776 56.100 -0.326 0.000 0.936 873 R CB -0.586 29.650 30.300 -0.106 0.000 0.839 873 R HN 0.533 nan 8.270 nan 0.000 0.429 874 I N 0.955 121.382 120.570 -0.238 0.000 2.264 874 I HA -0.325 3.845 4.170 -0.000 0.000 0.248 874 I C 2.784 178.744 176.117 -0.262 0.000 1.111 874 I CA 1.150 62.325 61.300 -0.207 0.000 1.382 874 I CB -0.267 37.605 38.000 -0.212 0.000 1.060 874 I HN 0.403 nan 8.210 nan 0.000 0.418 875 M N 0.412 119.748 119.600 -0.439 0.000 2.065 875 M HA -0.264 4.216 4.480 -0.000 0.000 0.259 875 M C 2.417 178.625 176.300 -0.153 0.000 1.069 875 M CA 2.227 57.299 55.300 -0.380 0.000 1.110 875 M CB -0.750 31.568 32.600 -0.471 0.000 1.328 875 M HN 0.347 nan 8.290 nan 0.000 0.405 876 H N -0.701 118.232 119.070 -0.228 0.000 2.290 876 H HA -0.193 4.363 4.556 -0.000 0.000 0.298 876 H C 2.146 177.473 175.328 -0.002 0.000 1.087 876 H CA 1.576 57.556 56.048 -0.115 0.000 1.291 876 H CB -0.235 29.487 29.762 -0.068 0.000 1.369 876 H HN 0.521 nan 8.280 nan 0.000 0.492 877 Q N 0.173 120.029 119.800 0.094 0.000 2.096 877 Q HA -0.175 4.165 4.340 -0.000 0.000 0.208 877 Q C 2.373 178.403 176.000 0.050 0.000 0.993 877 Q CA 2.250 58.088 55.803 0.059 0.000 0.862 877 Q CB -0.176 28.569 28.738 0.012 0.000 0.915 877 Q HN 0.462 nan 8.270 nan 0.000 0.416 878 T N 0.420 114.985 114.554 0.019 0.000 2.746 878 T HA -0.113 4.237 4.350 -0.000 0.000 0.267 878 T C 2.005 176.744 174.700 0.065 0.000 1.039 878 T CA 1.383 63.495 62.100 0.021 0.000 1.142 878 T CB -0.260 68.597 68.868 -0.018 0.000 0.866 878 T HN 0.067 nan 8.240 nan 0.000 0.444 879 V N 1.452 121.437 119.914 0.118 0.000 2.490 879 V HA -0.167 3.953 4.120 -0.000 0.000 0.250 879 V C 2.467 178.637 176.094 0.126 0.000 1.061 879 V CA 1.464 63.862 62.300 0.163 0.000 1.064 879 V CB -0.572 31.436 31.823 0.308 0.000 0.670 879 V HN 0.433 nan 8.190 nan 0.000 0.461 880 K N 0.109 120.580 120.400 0.119 0.000 2.002 880 K HA -0.216 4.103 4.320 -0.000 0.000 0.209 880 K C 2.242 178.877 176.600 0.058 0.000 1.048 880 K CA 1.860 58.199 56.287 0.087 0.000 0.930 880 K CB -0.105 32.446 32.500 0.085 0.000 0.714 880 K HN 0.511 nan 8.250 nan 0.000 0.438 881 E N 0.336 120.565 120.200 0.049 0.000 2.058 881 E HA -0.183 4.167 4.350 -0.000 0.000 0.194 881 E C 1.883 178.500 176.600 0.030 0.000 0.997 881 E CA 1.464 57.884 56.400 0.033 0.000 0.801 881 E CB 0.009 29.724 29.700 0.025 0.000 0.746 881 E HN 0.284 nan 8.360 nan 0.000 0.450 882 L N -0.723 120.521 121.223 0.034 0.000 2.418 882 L HA 0.075 4.415 4.340 -0.000 0.000 0.218 882 L C 0.799 177.685 176.870 0.027 0.000 1.125 882 L CA 0.232 55.089 54.840 0.028 0.000 0.835 882 L CB 0.368 42.446 42.059 0.030 0.000 0.953 882 L HN -0.166 nan 8.230 nan 0.000 0.454 883 S N -0.313 115.409 115.700 0.036 0.000 2.216 883 S HA 0.308 4.778 4.470 -0.000 0.000 0.156 883 S C -1.964 172.653 174.600 0.028 0.000 1.665 883 S CA -0.723 57.494 58.200 0.028 0.000 1.262 883 S CB 1.062 64.281 63.200 0.032 0.000 1.207 883 S HN -0.041 nan 8.310 nan 0.000 0.427 884 P HA 0.093 nan 4.420 nan 0.000 0.235 884 P C 0.860 178.167 177.300 0.013 0.000 1.177 884 P CA 0.387 63.499 63.100 0.020 0.000 0.785 884 P CB 0.232 31.942 31.700 0.018 0.000 0.885 885 K N -0.916 119.489 120.400 0.008 0.000 2.487 885 K HA 0.108 4.428 4.320 -0.000 0.000 0.192 885 K C 0.151 176.751 176.600 -0.000 0.000 1.027 885 K CA 0.172 56.461 56.287 0.003 0.000 1.054 885 K CB -0.611 31.889 32.500 0.000 0.000 0.824 885 K HN 0.199 nan 8.250 nan 0.000 0.510 886 C N 1.344 120.645 119.300 0.002 0.000 2.455 886 C HA 0.333 4.792 4.460 -0.000 0.000 0.320 886 C C 0.220 175.208 174.990 -0.003 0.000 1.226 886 C CA -1.316 57.699 59.018 -0.006 0.000 1.569 886 C CB 0.933 28.666 27.740 -0.010 0.000 2.200 886 C HN 0.302 nan 8.230 nan 0.000 0.491 887 N N 1.926 120.617 118.700 -0.015 0.000 2.816 887 N HA 0.343 5.083 4.740 -0.000 0.000 0.236 887 N C -0.716 174.766 175.510 -0.047 0.000 1.076 887 N CA -0.068 52.973 53.050 -0.016 0.000 0.902 887 N CB 0.980 39.460 38.487 -0.013 0.000 1.149 887 N HN 0.627 nan 8.380 nan 0.000 0.506 888 V N 2.109 121.987 119.914 -0.060 0.000 2.481 888 V HA 0.702 4.821 4.120 -0.000 0.000 0.286 888 V C -0.454 175.515 176.094 -0.208 0.000 1.042 888 V CA -0.266 61.931 62.300 -0.171 0.000 0.928 888 V CB 1.193 32.880 31.823 -0.226 0.000 0.986 888 V HN 0.555 nan 8.190 nan 0.000 0.462 889 S N 6.487 122.008 115.700 -0.298 0.000 2.473 889 S HA 0.710 5.180 4.470 -0.000 0.000 0.307 889 S C -0.973 173.412 174.600 -0.360 0.000 1.094 889 S CA -0.267 57.805 58.200 -0.212 0.000 1.070 889 S CB 1.344 64.484 63.200 -0.100 0.000 1.019 889 S HN 0.625 nan 8.310 nan 0.000 0.480 890 F N 2.174 122.046 119.950 -0.130 0.000 2.411 890 F HA 0.527 5.054 4.527 -0.000 0.000 0.352 890 F C -0.113 175.699 175.800 0.021 0.000 1.123 890 F CA -0.707 57.254 58.000 -0.065 0.000 1.044 890 F CB 0.859 39.801 39.000 -0.097 0.000 1.135 890 F HN 0.249 nan 8.300 nan 0.000 0.461 891 L N 4.805 126.126 121.223 0.164 0.000 2.356 891 L HA 0.423 4.763 4.340 -0.000 0.000 0.277 891 L C -0.716 176.231 176.870 0.129 0.000 0.996 891 L CA -1.154 53.767 54.840 0.135 0.000 0.822 891 L CB 1.980 44.078 42.059 0.064 0.000 1.256 891 L HN 0.465 nan 8.230 nan 0.000 0.413 892 L N 3.182 124.506 121.223 0.168 0.000 2.500 892 L HA 0.175 4.514 4.340 -0.000 0.000 0.272 892 L C -0.136 176.783 176.870 0.082 0.000 1.149 892 L CA 0.882 55.806 54.840 0.140 0.000 0.897 892 L CB 0.556 42.734 42.059 0.199 0.000 1.178 892 L HN 0.537 nan 8.230 nan 0.000 0.473 893 S N 4.541 120.267 115.700 0.045 0.000 2.498 893 S HA 0.520 4.989 4.470 -0.000 0.000 0.317 893 S C -0.560 174.057 174.600 0.028 0.000 1.090 893 S CA -0.732 57.490 58.200 0.037 0.000 1.089 893 S CB 1.172 64.386 63.200 0.024 0.000 0.997 893 S HN 0.670 nan 8.310 nan 0.000 0.470 894 E N 0.873 121.093 120.200 0.033 0.000 2.232 894 E HA 0.365 4.714 4.350 -0.000 0.000 0.264 894 E C -0.889 175.723 176.600 0.020 0.000 0.973 894 E CA -0.797 55.619 56.400 0.026 0.000 0.849 894 E CB 0.788 30.507 29.700 0.031 0.000 1.198 894 E HN 0.598 nan 8.360 nan 0.000 0.407 895 D N -0.036 120.374 120.400 0.015 0.000 2.699 895 D HA -0.146 4.494 4.640 -0.000 0.000 0.239 895 D C 0.759 177.065 176.300 0.010 0.000 1.136 895 D CA 0.916 54.924 54.000 0.014 0.000 0.668 895 D CB -0.983 39.827 40.800 0.016 0.000 1.060 895 D HN 0.666 nan 8.370 nan 0.000 0.429 896 G N -0.488 108.316 108.800 0.006 0.000 2.598 896 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.215 896 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.215 896 G C 1.547 176.451 174.900 0.007 0.000 1.131 896 G CA 0.874 45.975 45.100 0.000 0.000 0.785 896 G HN 0.564 nan 8.290 nan 0.000 0.539 897 S N -0.407 115.303 115.700 0.017 0.000 2.446 897 S HA 0.251 4.721 4.470 -0.000 0.000 0.225 897 S C 2.020 176.651 174.600 0.053 0.000 1.016 897 S CA 1.107 59.328 58.200 0.036 0.000 0.943 897 S CB 0.075 63.296 63.200 0.035 0.000 0.786 897 S HN 0.327 nan 8.310 nan 0.000 0.508 898 G N 1.409 110.232 108.800 0.038 0.000 2.651 898 G HA2 0.176 4.136 3.960 -0.000 0.000 0.226 898 G HA3 0.176 4.136 3.960 -0.000 0.000 0.226 898 G C 1.173 176.090 174.900 0.028 0.000 1.542 898 G CA 0.040 45.166 45.100 0.043 0.000 0.868 898 G HN 0.341 nan 8.290 nan 0.000 0.588 899 K N 0.375 120.783 120.400 0.013 0.000 2.089 899 K HA -0.135 4.185 4.320 -0.000 0.000 0.210 899 K C 2.486 179.057 176.600 -0.048 0.000 1.048 899 K CA 1.743 58.021 56.287 -0.015 0.000 0.926 899 K CB -0.682 31.809 32.500 -0.015 0.000 0.714 899 K HN 0.268 nan 8.250 nan 0.000 0.448 900 G N 0.277 109.060 108.800 -0.028 0.000 2.421 900 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.216 900 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.216 900 G C 1.569 176.444 174.900 -0.040 0.000 1.171 900 G CA 1.004 46.080 45.100 -0.039 0.000 0.775 900 G HN 0.437 nan 8.290 nan 0.000 0.543 901 A N 1.055 123.873 122.820 -0.003 0.000 1.978 901 A HA 0.231 4.551 4.320 -0.000 0.000 0.220 901 A C 2.768 180.339 177.584 -0.021 0.000 1.170 901 A CA 2.298 54.346 52.037 0.019 0.000 0.636 901 A CB -0.652 18.395 19.000 0.080 0.000 0.810 901 A HN 0.766 nan 8.150 nan 0.000 0.448 902 A N -0.407 122.389 122.820 -0.040 0.000 1.897 902 A HA 0.043 4.363 4.320 -0.000 0.000 0.215 902 A C 2.134 179.540 177.584 -0.298 0.000 1.181 902 A CA 1.303 53.278 52.037 -0.103 0.000 0.620 902 A CB -0.534 18.458 19.000 -0.013 0.000 0.821 902 A HN 0.451 nan 8.150 nan 0.000 0.443 903 L N -0.417 120.657 121.223 -0.248 0.000 2.131 903 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 903 L C 2.387 179.114 176.870 -0.239 0.000 1.092 903 L CA 1.011 55.670 54.840 -0.301 0.000 0.759 903 L CB -0.400 41.501 42.059 -0.264 0.000 0.903 903 L HN 0.402 nan 8.230 nan 0.000 0.435 904 I N -0.744 119.729 120.570 -0.160 0.000 2.315 904 I HA -0.236 3.933 4.170 -0.000 0.000 0.248 904 I C 2.378 178.416 176.117 -0.132 0.000 1.117 904 I CA 1.296 62.532 61.300 -0.105 0.000 1.404 904 I CB -0.377 37.595 38.000 -0.047 0.000 1.071 904 I HN 0.277 nan 8.210 nan 0.000 0.419 905 T N 0.842 115.282 114.554 -0.190 0.000 2.777 905 T HA -0.093 4.257 4.350 -0.000 0.000 0.266 905 T C 2.110 176.594 174.700 -0.360 0.000 1.040 905 T CA 1.301 63.281 62.100 -0.201 0.000 1.141 905 T CB -0.299 68.474 68.868 -0.159 0.000 0.868 905 T HN 0.440 nan 8.240 nan 0.000 0.444 906 A N 1.043 123.416 122.820 -0.745 0.000 1.902 906 A HA -0.046 4.274 4.320 -0.000 0.000 0.217 906 A C 2.571 180.014 177.584 -0.235 0.000 1.181 906 A CA 1.308 52.884 52.037 -0.768 0.000 0.623 906 A CB -1.049 17.433 19.000 -0.862 0.000 0.818 906 A HN 0.349 nan 8.150 nan 0.000 0.443 907 V N -0.211 119.593 119.914 -0.183 0.000 2.515 907 V HA -0.126 3.994 4.120 -0.000 0.000 0.250 907 V C 2.704 178.773 176.094 -0.042 0.000 1.058 907 V CA 1.660 63.916 62.300 -0.073 0.000 1.064 907 V CB -1.142 30.646 31.823 -0.058 0.000 0.675 907 V HN 0.630 nan 8.190 nan 0.000 0.461 908 G N 0.713 109.479 108.800 -0.057 0.000 2.453 908 G HA2 -0.225 3.734 3.960 -0.000 0.000 0.215 908 G HA3 -0.225 3.734 3.960 -0.000 0.000 0.215 908 G C 1.773 176.680 174.900 0.012 0.000 1.201 908 G CA 1.551 46.642 45.100 -0.016 0.000 0.784 908 G HN 0.545 nan 8.290 nan 0.000 0.545 909 V N 0.082 120.015 119.914 0.032 0.000 2.407 909 V HA -0.125 3.995 4.120 -0.000 0.000 0.248 909 V C 2.612 178.743 176.094 0.061 0.000 1.055 909 V CA 2.342 64.686 62.300 0.072 0.000 1.049 909 V CB -0.763 31.150 31.823 0.151 0.000 0.662 909 V HN 0.386 nan 8.190 nan 0.000 0.455 910 R N 0.362 120.894 120.500 0.053 0.000 2.127 910 R HA -0.008 4.332 4.340 -0.000 0.000 0.238 910 R C 2.087 178.406 176.300 0.033 0.000 1.134 910 R CA 1.937 58.066 56.100 0.048 0.000 0.975 910 R CB -0.436 29.888 30.300 0.041 0.000 0.865 910 R HN 0.593 nan 8.270 nan 0.000 0.447 911 L N 0.759 121.997 121.223 0.024 0.000 2.509 911 L HA 0.063 4.402 4.340 -0.000 0.000 0.222 911 L C 1.571 178.452 176.870 0.019 0.000 1.123 911 L CA 0.556 55.407 54.840 0.019 0.000 0.856 911 L CB -0.152 41.916 42.059 0.015 0.000 0.985 911 L HN 0.308 nan 8.230 nan 0.000 0.456 912 R N -1.545 118.968 120.500 0.021 0.000 2.319 912 R HA 0.063 4.403 4.340 -0.000 0.000 0.204 912 R C 1.361 177.673 176.300 0.019 0.000 0.954 912 R CA 0.415 56.526 56.100 0.018 0.000 1.066 912 R CB -0.499 29.812 30.300 0.019 0.000 0.991 912 R HN -0.001 nan 8.270 nan 0.000 0.486 913 T N 0.285 114.853 114.554 0.022 0.000 3.021 913 T HA 0.043 4.393 4.350 -0.000 0.000 0.245 913 T C 0.474 175.185 174.700 0.017 0.000 1.028 913 T CA 0.222 62.335 62.100 0.022 0.000 1.139 913 T CB 0.236 69.120 68.868 0.028 0.000 0.884 913 T HN 0.284 nan 8.240 nan 0.000 0.457 914 E N 0.000 120.210 120.200 0.017 0.000 2.725 914 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 914 E CA 0.000 56.408 56.400 0.014 0.000 0.976 914 E CB 0.000 29.708 29.700 0.014 0.000 0.812 914 E HN 0.000 nan 8.360 nan 0.000 0.440