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 3k0i_1_A DATA FIRST_RESID 5 DATA SEQUENCE IIRRSVANRF LVLMGALFLS IWGTWTIINT PVDALPDLSD VQVIIKTSYP DATA SEQUENCE GQAPQIVENQ VTYPLTTTML SVPGAKTVRG FSQFGDSYVY VIFEDGTDPY DATA SEQUENCE WARSRVLEYL NQVQGKLPAG VSAELGPDAT GVGWIYEYAL VDRSGKHDLA DATA SEQUENCE DLRSLQDWFL KYELKTIPDV AEVASVGGVV KEYQVVIDPQ RLAQYGISLA DATA SEQUENCE EVKSALDASN QEAGGSSIEL AEAEYMVRAS GYLQTLDDFN HIVLKASENG DATA SEQUENCE VPVYLRDVAK VQIGPEMRRG IAELNGEGEV AGGVVILRSG KNAREVIAAV DATA SEQUENCE KDKLETLKSS LPEGVEIVTT YDRSQLIDRA IDNLSGKLLE EFIVVAVVCA DATA SEQUENCE LFLWHVRSAL VAIISLPLGL CIAFIVMHFQ GLNANIMSLG GIAIAVGAMV DATA SEQUENCE DAAIVMIENA HKRLEEWQHQ XXXXXXXXKT RWQVITDASV EVGPALFISL DATA SEQUENCE LIITLSFIPI FTLEGQEGRL FGPLAFTKTY AMAGAALLAI VVIPILMGYX DATA SEQUENCE XXXXXXXXXX XPLNRFLIRV YHPLLLKVLH WPKTTLLVAA LSVLTVLWPL DATA SEQUENCE NKVGGEFLPQ INEGDLLYMP STLPGISAAE AASMLQKTDK LIMSVPEVAR DATA SEQUENCE VFGKTGKAET ATDSAPLEMV ETTIQLKPQE QWRPGMTMDK IIEELDNTVR DATA SEQUENCE LPGLANLWVP PIRNRIDMLS TGIKSPIGIK VSGTVLADID AMAEQIEEVA DATA SEQUENCE RTVPGVASAL AERLEGGRYI NVEINREKAA RYGMTVADVQ LFVTSAVGGA DATA SEQUENCE MVGETVEGIA RYPINLRYPQ SWRDSPQALR QLPILTPMKQ QITLADVADI DATA SEQUENCE KVSTGPSMLK TENARPTSWI YIDARDRDMV SVVHDLQKAI AEKVQLKPGT DATA SEQUENCE SVAFSGQFEL LERANHKLKL MVPMTLMIIF VLLYLAFRRV GEALLIISSV DATA SEQUENCE PFALVGGIWL LWWMGFHLSV ATGTGFIALA GVAAEFGVVM LMYLRHAIEA DATA SEQUENCE VPSLNNPQTF SEQKLDEALY HGAVLRVRPK AMTVAVIIAG LLPILWGTGA DATA SEQUENCE GSEVMSRIAA PMIGGMITAP LLSLFIIPAA YKLMW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 I HA 0.000 nan 4.170 nan 0.000 0.288 5 I C 0.000 176.041 176.117 -0.127 0.000 1.063 5 I CA 0.000 61.220 61.300 -0.133 0.000 1.566 5 I CB 0.000 37.890 38.000 -0.183 0.000 1.214 6 I N 1.698 122.189 120.570 -0.131 0.000 2.286 6 I HA -0.265 3.903 4.170 -0.002 0.000 0.248 6 I C 2.397 178.466 176.117 -0.080 0.000 1.115 6 I CA 1.726 62.961 61.300 -0.109 0.000 1.392 6 I CB -0.077 37.863 38.000 -0.100 0.000 1.065 6 I HN 0.226 nan 8.210 nan 0.000 0.418 7 R N 0.448 120.906 120.500 -0.070 0.000 2.200 7 R HA -0.163 4.176 4.340 -0.002 0.000 0.234 7 R C 2.022 178.291 176.300 -0.052 0.000 1.127 7 R CA 1.098 57.166 56.100 -0.053 0.000 0.989 7 R CB -0.273 29.999 30.300 -0.047 0.000 0.869 7 R HN 0.296 nan 8.270 nan 0.000 0.459 8 R N -0.027 120.437 120.500 -0.060 0.000 2.377 8 R HA -0.053 4.286 4.340 -0.002 0.000 0.207 8 R C 1.784 178.044 176.300 -0.067 0.000 1.075 8 R CA 1.284 57.349 56.100 -0.057 0.000 1.035 8 R CB 0.006 30.271 30.300 -0.059 0.000 0.857 8 R HN 0.248 nan 8.270 nan 0.000 0.475 9 S N -1.700 113.958 115.700 -0.071 0.000 2.524 9 S HA 0.015 4.483 4.470 -0.002 0.000 0.215 9 S C 1.627 176.172 174.600 -0.091 0.000 0.986 9 S CA 0.159 58.307 58.200 -0.087 0.000 0.911 9 S CB 0.269 63.423 63.200 -0.077 0.000 0.805 9 S HN 0.161 nan 8.310 nan 0.000 0.501 10 V N -1.063 118.814 119.914 -0.061 0.000 3.174 10 V HA 0.518 4.637 4.120 -0.002 0.000 0.254 10 V C 2.271 178.348 176.094 -0.027 0.000 1.120 10 V CA 0.724 63.002 62.300 -0.036 0.000 1.114 10 V CB -0.898 30.920 31.823 -0.008 0.000 0.756 10 V HN 0.432 nan 8.190 nan 0.000 0.467 11 A N 2.416 125.215 122.820 -0.035 0.000 2.248 11 A HA 0.024 4.343 4.320 -0.002 0.000 0.210 11 A C 0.972 178.547 177.584 -0.016 0.000 1.174 11 A CA 1.255 53.290 52.037 -0.003 0.000 0.750 11 A CB -0.876 18.123 19.000 -0.002 0.000 0.780 11 A HN 0.945 nan 8.150 nan 0.000 0.478 12 N N -1.757 116.842 118.700 -0.168 0.000 2.666 12 N HA 0.193 4.932 4.740 -0.002 0.000 0.253 12 N C -0.039 175.095 175.510 -0.627 0.000 1.621 12 N CA -0.561 52.138 53.050 -0.585 0.000 0.785 12 N CB -0.176 37.819 38.487 -0.820 0.000 1.332 12 N HN 0.087 nan 8.380 nan 0.000 0.514 13 R N 0.082 120.451 120.500 -0.219 0.000 2.159 13 R HA -0.057 4.282 4.340 -0.002 0.000 0.237 13 R C 1.350 177.600 176.300 -0.082 0.000 1.131 13 R CA 1.701 57.747 56.100 -0.090 0.000 0.982 13 R CB -1.111 29.216 30.300 0.045 0.000 0.868 13 R HN 0.544 nan 8.270 nan 0.000 0.453 14 F N 0.114 120.079 119.950 0.024 0.000 2.134 14 F HA -0.066 4.459 4.527 -0.002 0.000 0.299 14 F C 1.952 177.762 175.800 0.017 0.000 1.097 14 F CA 0.734 58.741 58.000 0.012 0.000 1.264 14 F CB -0.930 38.074 39.000 0.006 0.000 1.001 14 F HN 0.006 nan 8.300 nan 0.000 0.479 15 L N 1.683 122.550 121.223 -0.593 0.000 1.971 15 L HA -0.209 4.130 4.340 -0.002 0.000 0.215 15 L C 2.596 179.427 176.870 -0.065 0.000 1.072 15 L CA 2.514 57.195 54.840 -0.264 0.000 0.758 15 L CB -0.533 41.275 42.059 -0.419 0.000 0.889 15 L HN 0.260 nan 8.230 nan 0.000 0.433 16 V N -2.012 117.843 119.914 -0.098 0.000 2.490 16 V HA -0.230 3.889 4.120 -0.002 0.000 0.250 16 V C 2.437 178.540 176.094 0.014 0.000 1.061 16 V CA 1.643 63.927 62.300 -0.026 0.000 1.064 16 V CB -1.170 30.631 31.823 -0.038 0.000 0.670 16 V HN 0.570 nan 8.190 nan 0.000 0.461 17 L N 1.435 122.670 121.223 0.020 0.000 2.023 17 L HA -0.080 4.259 4.340 -0.002 0.000 0.205 17 L C 2.549 179.406 176.870 -0.022 0.000 1.073 17 L CA 2.804 57.663 54.840 0.032 0.000 0.745 17 L CB -0.747 41.344 42.059 0.053 0.000 0.900 17 L HN 0.492 nan 8.230 nan 0.000 0.435 18 M N -1.598 117.979 119.600 -0.039 0.000 2.108 18 M HA -0.012 4.467 4.480 -0.002 0.000 0.261 18 M C 2.169 178.247 176.300 -0.369 0.000 1.066 18 M CA 1.961 57.124 55.300 -0.228 0.000 1.107 18 M CB -2.053 30.469 32.600 -0.130 0.000 1.356 18 M HN 0.253 nan 8.290 nan 0.000 0.406 19 G N 0.633 109.485 108.800 0.086 0.000 2.491 19 G HA2 -0.131 3.828 3.960 -0.002 0.000 0.218 19 G HA3 -0.131 3.828 3.960 -0.002 0.000 0.218 19 G C 1.708 176.735 174.900 0.213 0.000 1.180 19 G CA 1.675 47.032 45.100 0.428 0.000 0.774 19 G HN 0.655 nan 8.290 nan 0.000 0.562 20 A N 1.193 124.050 122.820 0.063 0.000 1.908 20 A HA -0.040 4.279 4.320 -0.002 0.000 0.218 20 A C 2.366 179.968 177.584 0.031 0.000 1.181 20 A CA 1.983 54.043 52.037 0.039 0.000 0.627 20 A CB -0.460 18.562 19.000 0.038 0.000 0.818 20 A HN 0.676 nan 8.150 nan 0.000 0.445 21 L N -3.818 117.381 121.223 -0.039 0.000 2.395 21 L HA 0.044 4.383 4.340 -0.002 0.000 0.218 21 L C 2.058 178.933 176.870 0.008 0.000 1.130 21 L CA 1.440 56.259 54.840 -0.034 0.000 0.826 21 L CB -1.637 40.373 42.059 -0.082 0.000 0.941 21 L HN 0.189 nan 8.230 nan 0.000 0.451 22 F N 1.377 121.354 119.950 0.045 0.000 2.091 22 F HA -0.188 4.337 4.527 -0.002 0.000 0.299 22 F C 2.591 178.420 175.800 0.047 0.000 1.103 22 F CA 1.340 59.366 58.000 0.044 0.000 1.228 22 F CB -0.661 38.323 39.000 -0.026 0.000 0.984 22 F HN 0.024 nan 8.300 nan 0.000 0.477 23 L N -1.144 120.170 121.223 0.152 0.000 2.141 23 L HA -0.170 4.169 4.340 -0.002 0.000 0.209 23 L C 2.563 179.552 176.870 0.199 0.000 1.094 23 L CA 1.678 56.535 54.840 0.027 0.000 0.763 23 L CB -1.578 40.462 42.059 -0.032 0.000 0.908 23 L HN 0.244 nan 8.230 nan 0.000 0.437 24 S N 0.257 116.063 115.700 0.177 0.000 2.338 24 S HA -0.151 4.318 4.470 -0.002 0.000 0.218 24 S C 2.052 176.814 174.600 0.270 0.000 1.032 24 S CA 1.006 59.313 58.200 0.179 0.000 0.999 24 S CB -0.045 63.223 63.200 0.113 0.000 0.905 24 S HN 0.297 nan 8.310 nan 0.000 0.439 25 I N 1.135 121.896 120.570 0.318 0.000 2.226 25 I HA -0.138 4.031 4.170 -0.002 0.000 0.245 25 I C 2.360 178.837 176.117 0.600 0.000 1.100 25 I CA 1.514 63.090 61.300 0.459 0.000 1.374 25 I CB -0.238 37.971 38.000 0.348 0.000 1.057 25 I HN 0.651 nan 8.210 nan 0.000 0.413 26 W N 1.814 123.280 121.300 0.276 0.000 2.379 26 W HA -0.059 4.600 4.660 -0.001 0.000 0.307 26 W C 2.017 178.674 176.519 0.230 0.000 1.200 26 W CA 1.509 58.999 57.345 0.241 0.000 1.297 26 W CB -1.356 28.214 29.460 0.183 0.000 1.140 26 W HN 0.125 nan 8.180 nan 0.000 0.507 27 G N 0.837 110.108 108.800 0.784 0.000 2.628 27 G HA2 -0.457 3.502 3.960 -0.002 0.000 0.217 27 G HA3 -0.457 3.502 3.960 -0.002 0.000 0.217 27 G C 1.582 176.643 174.900 0.268 0.000 1.240 27 G CA 3.004 48.423 45.100 0.531 0.000 0.792 27 G HN 0.376 nan 8.290 nan 0.000 0.593 28 T N -1.386 113.274 114.554 0.176 0.000 2.721 28 T HA -0.187 4.162 4.350 -0.002 0.000 0.268 28 T C 1.970 176.563 174.700 -0.177 0.000 1.038 28 T CA 1.913 63.971 62.100 -0.069 0.000 1.145 28 T CB -0.312 68.396 68.868 -0.267 0.000 0.858 28 T HN 0.502 nan 8.240 nan 0.000 0.459 29 W N 0.515 121.800 121.300 -0.025 0.000 2.539 29 W HA 0.094 4.752 4.660 -0.002 0.000 0.281 29 W C 2.688 179.095 176.519 -0.186 0.000 1.220 29 W CA 0.741 58.031 57.345 -0.093 0.000 1.332 29 W CB -0.780 28.631 29.460 -0.080 0.000 1.095 29 W HN 0.306 nan 8.180 nan 0.000 0.571 30 T N 1.522 116.034 114.554 -0.070 0.000 2.701 30 T HA -0.182 4.167 4.350 -0.002 0.000 0.263 30 T C 1.850 176.369 174.700 -0.301 0.000 1.040 30 T CA 1.614 63.539 62.100 -0.293 0.000 1.147 30 T CB -0.416 68.196 68.868 -0.427 0.000 0.865 30 T HN 0.130 nan 8.240 nan 0.000 0.426 31 I N 0.288 120.738 120.570 -0.201 0.000 2.226 31 I HA -0.121 4.048 4.170 -0.002 0.000 0.245 31 I C 2.122 178.027 176.117 -0.354 0.000 1.100 31 I CA 1.483 62.555 61.300 -0.380 0.000 1.374 31 I CB -0.212 37.603 38.000 -0.308 0.000 1.057 31 I HN 0.155 nan 8.210 nan 0.000 0.413 32 I N 2.087 122.511 120.570 -0.243 0.000 2.277 32 I HA -0.206 3.963 4.170 -0.002 0.000 0.243 32 I C 1.991 178.013 176.117 -0.159 0.000 1.094 32 I CA 1.571 62.743 61.300 -0.214 0.000 1.393 32 I CB -1.321 36.534 38.000 -0.241 0.000 1.078 32 I HN 0.304 nan 8.210 nan 0.000 0.417 33 N N 0.628 119.258 118.700 -0.117 0.000 2.289 33 N HA -0.104 4.635 4.740 -0.002 0.000 0.184 33 N C 0.775 176.252 175.510 -0.054 0.000 1.016 33 N CA 0.995 54.014 53.050 -0.052 0.000 0.872 33 N CB -0.606 37.888 38.487 0.013 0.000 0.973 33 N HN 0.522 nan 8.380 nan 0.000 0.433 34 T N -0.386 114.107 114.554 -0.102 0.000 2.795 34 T HA 0.150 4.499 4.350 -0.002 0.000 0.314 34 T C -2.411 172.273 174.700 -0.027 0.000 1.069 34 T CA -1.372 60.705 62.100 -0.038 0.000 1.071 34 T CB 0.527 69.332 68.868 -0.105 0.000 0.988 34 T HN -0.005 nan 8.240 nan 0.000 0.543 35 P HA 0.276 nan 4.420 nan 0.000 0.271 35 P C -0.862 176.434 177.300 -0.007 0.000 1.216 35 P CA -0.414 62.691 63.100 0.008 0.000 0.771 35 P CB 0.906 32.622 31.700 0.028 0.000 0.864 36 V N 2.910 122.817 119.914 -0.011 0.000 2.448 36 V HA 0.451 4.569 4.120 -0.002 0.000 0.295 36 V C -0.797 175.303 176.094 0.011 0.000 1.025 36 V CA -0.263 62.031 62.300 -0.010 0.000 0.859 36 V CB 1.427 33.234 31.823 -0.026 0.000 0.988 36 V HN 0.579 nan 8.190 nan 0.000 0.431 37 D N 4.590 125.003 120.400 0.021 0.000 2.581 37 D HA 0.774 5.413 4.640 -0.002 0.000 0.232 37 D C -0.595 175.727 176.300 0.038 0.000 1.143 37 D CA -0.086 53.935 54.000 0.035 0.000 0.881 37 D CB 2.421 43.245 40.800 0.041 0.000 1.500 37 D HN 0.847 nan 8.370 nan 0.000 0.458 38 A N 2.774 125.623 122.820 0.048 0.000 2.289 38 A HA 0.692 5.011 4.320 -0.002 0.000 0.298 38 A C -0.587 177.029 177.584 0.053 0.000 1.208 38 A CA -0.289 51.777 52.037 0.049 0.000 0.845 38 A CB 0.022 19.055 19.000 0.055 0.000 1.125 38 A HN 0.627 nan 8.150 nan 0.000 0.517 39 L N 0.287 121.537 121.223 0.045 0.000 0.584 39 L HA -0.103 4.236 4.340 -0.002 0.000 0.356 39 L C -2.873 174.021 176.870 0.041 0.000 0.990 39 L CA -0.167 54.700 54.840 0.045 0.000 1.223 39 L CB -1.576 40.514 42.059 0.052 0.000 0.009 39 L HN 0.598 nan 8.230 nan 0.000 0.091 40 P HA 0.286 nan 4.420 nan 0.000 0.293 40 P C -0.994 176.323 177.300 0.028 0.000 1.291 40 P CA -0.500 62.618 63.100 0.030 0.000 0.867 40 P CB 0.956 32.673 31.700 0.029 0.000 1.074 41 D N 2.440 122.852 120.400 0.020 0.000 2.531 41 D HA -0.022 4.617 4.640 -0.002 0.000 0.239 41 D C -0.155 176.152 176.300 0.012 0.000 1.144 41 D CA 0.828 54.837 54.000 0.015 0.000 0.869 41 D CB 0.007 40.810 40.800 0.005 0.000 1.160 41 D HN 0.082 nan 8.370 nan 0.000 0.484 42 L N 3.541 124.772 121.223 0.012 0.000 3.616 42 L HA 0.072 4.411 4.340 -0.002 0.000 0.363 42 L C 1.280 178.150 176.870 0.000 0.000 1.344 42 L CA 0.088 54.935 54.840 0.012 0.000 0.997 42 L CB -0.700 41.376 42.059 0.027 0.000 1.365 42 L HN 0.425 nan 8.230 nan 0.000 0.607 43 S N 1.084 116.777 115.700 -0.010 0.000 2.354 43 S HA -0.034 4.435 4.470 -0.002 0.000 0.219 43 S C 0.377 174.955 174.600 -0.036 0.000 1.035 43 S CA 1.877 60.057 58.200 -0.032 0.000 1.037 43 S CB 0.044 63.219 63.200 -0.042 0.000 0.956 43 S HN 0.759 nan 8.310 nan 0.000 0.428 44 D N -2.419 117.963 120.400 -0.029 0.000 3.155 44 D HA -0.001 4.638 4.640 -0.002 0.000 0.329 44 D C -1.458 174.832 176.300 -0.016 0.000 1.416 44 D CA -0.595 53.392 54.000 -0.022 0.000 0.752 44 D CB 0.219 40.997 40.800 -0.037 0.000 1.317 44 D HN 0.100 nan 8.370 nan 0.000 0.461 45 V N 0.928 120.841 119.914 -0.001 0.000 2.398 45 V HA 0.714 4.833 4.120 -0.002 0.000 0.286 45 V C -0.930 175.129 176.094 -0.058 0.000 1.026 45 V CA 0.403 62.716 62.300 0.023 0.000 0.868 45 V CB 0.659 32.557 31.823 0.125 0.000 0.982 45 V HN 0.796 nan 8.190 nan 0.000 0.443 46 Q N 4.761 124.511 119.800 -0.083 0.000 2.633 46 Q HA 0.700 5.038 4.340 -0.002 0.000 0.289 46 Q C -2.317 173.616 176.000 -0.112 0.000 0.940 46 Q CA -0.988 54.706 55.803 -0.182 0.000 0.785 46 Q CB 2.289 30.960 28.738 -0.111 0.000 1.467 46 Q HN 0.364 nan 8.270 nan 0.000 0.401 47 V N 1.749 121.580 119.914 -0.138 0.000 2.495 47 V HA 0.482 4.601 4.120 -0.002 0.000 0.298 47 V C -0.306 175.772 176.094 -0.025 0.000 1.031 47 V CA -0.717 61.550 62.300 -0.054 0.000 0.871 47 V CB 1.513 33.309 31.823 -0.045 0.000 0.988 47 V HN 0.684 nan 8.190 nan 0.000 0.432 48 I N 5.295 125.865 120.570 -0.000 0.000 2.276 48 I HA 0.400 4.569 4.170 -0.002 0.000 0.290 48 I C -0.235 175.831 176.117 -0.085 0.000 1.109 48 I CA -0.068 61.211 61.300 -0.035 0.000 1.229 48 I CB 0.309 38.337 38.000 0.048 0.000 1.452 48 I HN 0.425 nan 8.210 nan 0.000 0.497 49 I N 6.529 127.016 120.570 -0.140 0.000 2.278 49 I HA 0.151 4.320 4.170 -0.002 0.000 0.296 49 I C 0.502 176.588 176.117 -0.052 0.000 1.121 49 I CA -0.177 61.073 61.300 -0.084 0.000 1.267 49 I CB 0.281 38.229 38.000 -0.087 0.000 1.447 49 I HN 0.602 nan 8.210 nan 0.000 0.509 50 K N 5.355 125.778 120.400 0.038 0.000 2.110 50 K HA 0.568 4.887 4.320 -0.002 0.000 0.263 50 K C -0.629 175.949 176.600 -0.035 0.000 0.975 50 K CA -0.278 56.077 56.287 0.113 0.000 0.895 50 K CB 1.599 34.299 32.500 0.335 0.000 1.060 50 K HN 0.362 nan 8.250 nan 0.000 0.448 51 T N 1.107 115.571 114.554 -0.150 0.000 2.907 51 T HA 0.344 4.693 4.350 -0.002 0.000 0.292 51 T C -1.531 173.064 174.700 -0.175 0.000 1.043 51 T CA -0.719 61.289 62.100 -0.153 0.000 1.003 51 T CB 1.629 70.397 68.868 -0.166 0.000 1.084 51 T HN 0.560 nan 8.240 nan 0.000 0.483 52 S N 1.609 117.220 115.700 -0.149 0.000 2.647 52 S HA 0.680 5.149 4.470 -0.002 0.000 0.300 52 S C -1.918 172.628 174.600 -0.089 0.000 1.129 52 S CA -0.517 57.621 58.200 -0.102 0.000 1.029 52 S CB 0.486 63.658 63.200 -0.046 0.000 1.007 52 S HN 0.539 nan 8.310 nan 0.000 0.484 53 Y N 4.800 125.039 120.300 -0.102 0.000 2.446 53 Y HA 0.498 5.047 4.550 -0.002 0.000 0.345 53 Y C -2.005 173.827 175.900 -0.112 0.000 0.984 53 Y CA -1.961 56.073 58.100 -0.109 0.000 1.058 53 Y CB 2.090 40.464 38.460 -0.143 0.000 1.220 53 Y HN 0.455 nan 8.280 nan 0.000 0.455 54 P HA 0.125 nan 4.420 nan 0.000 0.215 54 P C -0.305 176.956 177.300 -0.065 0.000 1.157 54 P CA 1.206 64.331 63.100 0.042 0.000 0.859 54 P CB 0.585 32.311 31.700 0.043 0.000 0.786 55 G N -1.537 107.125 108.800 -0.230 0.000 2.752 55 G HA2 0.535 4.494 3.960 -0.002 0.000 0.298 55 G HA3 0.535 4.494 3.960 -0.002 0.000 0.298 55 G C -1.173 173.347 174.900 -0.634 0.000 1.434 55 G CA -0.394 44.407 45.100 -0.497 0.000 1.004 55 G HN -0.091 nan 8.290 nan 0.000 0.560 56 Q N -0.541 118.689 119.800 -0.951 0.000 2.142 56 Q HA 0.706 5.045 4.340 -0.002 0.000 0.442 56 Q C -0.552 175.136 176.000 -0.519 0.000 0.440 56 Q CA -0.008 55.413 55.803 -0.636 0.000 1.034 56 Q CB 0.986 29.354 28.738 -0.616 0.000 0.827 56 Q HN 1.925 nan 8.270 nan 0.000 0.308 57 A N -0.066 122.548 122.820 -0.343 0.000 2.581 57 A HA 0.514 4.833 4.320 -0.002 0.000 0.294 57 A C -2.601 174.951 177.584 -0.054 0.000 1.035 57 A CA -0.654 51.312 52.037 -0.118 0.000 0.684 57 A CB 0.595 19.441 19.000 -0.256 0.000 1.282 57 A HN 0.201 nan 8.150 nan 0.000 0.417 58 P HA -0.194 nan 4.420 nan 0.000 0.216 58 P C 1.428 178.763 177.300 0.058 0.000 1.153 58 P CA 1.846 65.002 63.100 0.094 0.000 0.858 58 P CB 0.245 32.043 31.700 0.163 0.000 0.789 59 Q N -1.223 118.592 119.800 0.025 0.000 2.061 59 Q HA -0.156 4.183 4.340 -0.002 0.000 0.204 59 Q C 2.087 178.063 176.000 -0.040 0.000 0.984 59 Q CA 1.329 57.128 55.803 -0.007 0.000 0.846 59 Q CB -0.822 27.888 28.738 -0.047 0.000 0.902 59 Q HN 0.227 nan 8.270 nan 0.000 0.421 60 I N -0.400 120.124 120.570 -0.078 0.000 2.584 60 I HA -0.117 4.052 4.170 -0.002 0.000 0.255 60 I C 1.574 177.673 176.117 -0.030 0.000 1.145 60 I CA 0.835 62.080 61.300 -0.092 0.000 1.462 60 I CB -0.108 37.793 38.000 -0.166 0.000 1.102 60 I HN 0.047 nan 8.210 nan 0.000 0.433 61 V N 1.378 121.284 119.914 -0.014 0.000 2.358 61 V HA -0.206 3.913 4.120 -0.002 0.000 0.246 61 V C 2.541 178.699 176.094 0.107 0.000 1.047 61 V CA 1.696 64.037 62.300 0.068 0.000 1.035 61 V CB -0.651 31.192 31.823 0.034 0.000 0.658 61 V HN 0.399 nan 8.190 nan 0.000 0.452 62 E N 0.260 120.534 120.200 0.123 0.000 2.028 62 E HA -0.175 4.174 4.350 -0.002 0.000 0.190 62 E C 2.179 178.967 176.600 0.314 0.000 0.984 62 E CA 1.166 57.715 56.400 0.249 0.000 0.800 62 E CB -0.167 29.719 29.700 0.311 0.000 0.758 62 E HN 0.554 nan 8.360 nan 0.000 0.448 63 N N 0.870 119.594 118.700 0.040 0.000 2.094 63 N HA -0.178 4.561 4.740 -0.002 0.000 0.191 63 N C 1.806 177.273 175.510 -0.073 0.000 1.023 63 N CA 1.120 54.025 53.050 -0.241 0.000 0.857 63 N CB -0.251 38.087 38.487 -0.247 0.000 1.013 63 N HN 0.239 nan 8.380 nan 0.000 0.426 64 Q N -0.271 119.545 119.800 0.026 0.000 2.062 64 Q HA 0.003 4.341 4.340 -0.002 0.000 0.196 64 Q C 2.008 178.058 176.000 0.083 0.000 0.967 64 Q CA 1.044 56.889 55.803 0.071 0.000 0.832 64 Q CB 0.027 28.864 28.738 0.166 0.000 0.899 64 Q HN 0.364 nan 8.270 nan 0.000 0.442 65 V N -1.329 118.643 119.914 0.096 0.000 3.001 65 V HA 0.003 4.122 4.120 -0.002 0.000 0.228 65 V C 2.043 178.168 176.094 0.052 0.000 1.204 65 V CA 1.569 63.889 62.300 0.032 0.000 1.247 65 V CB 0.112 31.901 31.823 -0.056 0.000 1.093 65 V HN 0.307 nan 8.190 nan 0.000 0.504 66 T N -1.338 113.258 114.554 0.069 0.000 3.025 66 T HA -0.150 4.199 4.350 -0.002 0.000 0.270 66 T C 1.509 176.244 174.700 0.059 0.000 1.126 66 T CA 1.959 64.084 62.100 0.041 0.000 1.105 66 T CB -0.612 68.270 68.868 0.023 0.000 0.884 66 T HN 0.680 nan 8.240 nan 0.000 0.522 67 Y N 1.556 121.855 120.300 -0.002 0.000 2.153 67 Y HA 0.126 4.675 4.550 -0.002 0.000 0.289 67 Y C -0.373 175.524 175.900 -0.005 0.000 1.127 67 Y CA 1.009 59.110 58.100 0.002 0.000 1.131 67 Y CB -0.876 37.587 38.460 0.005 0.000 0.995 67 Y HN 0.293 nan 8.280 nan 0.000 0.505 68 P HA -0.199 nan 4.420 nan 0.000 0.217 68 P C 1.357 178.674 177.300 0.028 0.000 1.148 68 P CA 1.394 64.538 63.100 0.072 0.000 0.828 68 P CB 0.071 31.799 31.700 0.047 0.000 0.783 69 L N -1.028 120.201 121.223 0.010 0.000 2.168 69 L HA -0.014 4.325 4.340 -0.002 0.000 0.203 69 L C 2.349 179.195 176.870 -0.039 0.000 1.078 69 L CA 2.046 56.875 54.840 -0.018 0.000 0.780 69 L CB -1.648 40.391 42.059 -0.034 0.000 0.939 69 L HN 0.037 nan 8.230 nan 0.000 0.451 70 T N -5.237 109.280 114.554 -0.061 0.000 2.812 70 T HA -0.133 4.215 4.350 -0.002 0.000 0.264 70 T C 1.791 176.441 174.700 -0.084 0.000 1.042 70 T CA 1.679 63.728 62.100 -0.084 0.000 1.140 70 T CB -0.748 68.046 68.868 -0.125 0.000 0.870 70 T HN 0.205 nan 8.240 nan 0.000 0.445 71 T N 2.082 116.591 114.554 -0.075 0.000 2.777 71 T HA -0.057 4.292 4.350 -0.002 0.000 0.266 71 T C 2.183 176.845 174.700 -0.062 0.000 1.040 71 T CA 1.824 63.889 62.100 -0.059 0.000 1.141 71 T CB -0.882 67.975 68.868 -0.017 0.000 0.868 71 T HN 0.525 nan 8.240 nan 0.000 0.444 72 T N 2.233 116.760 114.554 -0.046 0.000 2.881 72 T HA 0.012 4.360 4.350 -0.002 0.000 0.270 72 T C 1.870 176.463 174.700 -0.179 0.000 1.068 72 T CA 0.783 62.845 62.100 -0.063 0.000 1.131 72 T CB -0.170 68.709 68.868 0.020 0.000 0.871 72 T HN 0.193 nan 8.240 nan 0.000 0.479 73 M N 0.786 120.307 119.600 -0.133 0.000 2.349 73 M HA 0.186 4.664 4.480 -0.002 0.000 0.266 73 M C 2.072 178.266 176.300 -0.176 0.000 1.076 73 M CA 0.788 55.998 55.300 -0.150 0.000 1.126 73 M CB -1.107 31.447 32.600 -0.077 0.000 1.392 73 M HN 0.298 nan 8.290 nan 0.000 0.440 74 L N -1.095 120.040 121.223 -0.148 0.000 2.129 74 L HA -0.222 4.117 4.340 -0.002 0.000 0.212 74 L C 2.533 179.312 176.870 -0.152 0.000 1.087 74 L CA 1.229 55.999 54.840 -0.116 0.000 0.757 74 L CB -0.958 41.048 42.059 -0.088 0.000 0.896 74 L HN 0.280 nan 8.230 nan 0.000 0.434 75 S N -0.920 114.610 115.700 -0.283 0.000 2.470 75 S HA 0.013 4.482 4.470 -0.002 0.000 0.225 75 S C 0.858 175.236 174.600 -0.369 0.000 1.006 75 S CA -0.268 57.737 58.200 -0.324 0.000 0.934 75 S CB 0.056 63.021 63.200 -0.391 0.000 0.778 75 S HN 0.096 nan 8.310 nan 0.000 0.517 76 V N 3.687 123.312 119.914 -0.482 0.000 2.655 76 V HA 0.256 4.375 4.120 -0.002 0.000 0.300 76 V C -2.288 173.837 176.094 0.051 0.000 1.044 76 V CA -2.044 60.185 62.300 -0.118 0.000 1.095 76 V CB 0.518 32.371 31.823 0.051 0.000 0.952 76 V HN 0.268 nan 8.190 nan 0.000 0.485 77 P HA 0.199 nan 4.420 nan 0.000 0.266 77 P C 0.813 178.169 177.300 0.094 0.000 1.186 77 P CA 1.441 64.596 63.100 0.092 0.000 0.767 77 P CB 0.429 32.185 31.700 0.094 0.000 0.820 78 G N 1.261 110.133 108.800 0.120 0.000 2.205 78 G HA2 -0.256 3.703 3.960 -0.002 0.000 0.261 78 G HA3 -0.256 3.703 3.960 -0.002 0.000 0.261 78 G C 0.459 175.630 174.900 0.452 0.000 0.980 78 G CA 0.081 45.274 45.100 0.155 0.000 0.632 78 G HN 0.879 nan 8.290 nan 0.000 0.533 79 A N 0.222 123.255 122.820 0.354 0.000 2.476 79 A HA 0.632 4.950 4.320 -0.002 0.000 0.275 79 A C 1.172 178.837 177.584 0.135 0.000 1.133 79 A CA 1.494 53.681 52.037 0.250 0.000 0.797 79 A CB 0.365 19.435 19.000 0.117 0.000 1.081 79 A HN 0.523 nan 8.150 nan 0.000 0.510 80 K N 1.525 121.988 120.400 0.105 0.000 2.078 80 K HA 0.025 4.344 4.320 -0.002 0.000 0.203 80 K C 0.646 177.243 176.600 -0.005 0.000 1.043 80 K CA 1.562 57.877 56.287 0.048 0.000 0.960 80 K CB 0.194 32.722 32.500 0.046 0.000 0.761 80 K HN 0.800 nan 8.250 nan 0.000 0.448 81 T N -1.965 112.568 114.554 -0.035 0.000 2.886 81 T HA 0.430 4.779 4.350 -0.002 0.000 0.292 81 T C -0.562 174.107 174.700 -0.052 0.000 1.012 81 T CA -0.975 61.094 62.100 -0.052 0.000 0.982 81 T CB 2.020 70.840 68.868 -0.080 0.000 1.018 81 T HN -0.185 nan 8.240 nan 0.000 0.451 82 V N 4.101 123.993 119.914 -0.037 0.000 2.205 82 V HA 0.340 4.459 4.120 -0.002 0.000 0.263 82 V C 0.543 176.640 176.094 0.005 0.000 1.138 82 V CA -0.824 61.456 62.300 -0.033 0.000 1.059 82 V CB -0.852 30.944 31.823 -0.046 0.000 1.232 82 V HN 0.881 nan 8.190 nan 0.000 0.469 83 R N 1.173 121.697 120.500 0.040 0.000 2.540 83 R HA 0.903 5.242 4.340 -0.002 0.000 0.287 83 R C 0.021 176.412 176.300 0.151 0.000 0.980 83 R CA -0.643 55.548 56.100 0.153 0.000 0.966 83 R CB 1.988 32.389 30.300 0.169 0.000 1.106 83 R HN 0.427 nan 8.270 nan 0.000 0.480 84 G N 1.887 110.812 108.800 0.209 0.000 2.720 84 G HA2 0.463 4.422 3.960 -0.002 0.000 0.295 84 G HA3 0.463 4.422 3.960 -0.002 0.000 0.295 84 G C -1.306 173.768 174.900 0.289 0.000 1.437 84 G CA -1.036 44.110 45.100 0.077 0.000 0.886 84 G HN 0.455 nan 8.290 nan 0.000 0.509 85 F N 1.687 121.760 119.950 0.205 0.000 2.404 85 F HA 0.518 5.044 4.527 -0.002 0.000 0.345 85 F C 0.894 176.746 175.800 0.087 0.000 1.110 85 F CA -0.778 57.322 58.000 0.166 0.000 1.130 85 F CB 1.922 41.077 39.000 0.258 0.000 1.129 85 F HN 0.414 nan 8.300 nan 0.000 0.500 86 S N 3.154 119.000 115.700 0.243 0.000 2.521 86 S HA 0.758 5.226 4.470 -0.002 0.000 0.295 86 S C -0.996 173.679 174.600 0.125 0.000 1.098 86 S CA -0.863 57.415 58.200 0.129 0.000 0.999 86 S CB 2.167 65.429 63.200 0.104 0.000 1.034 86 S HN 0.733 nan 8.310 nan 0.000 0.483 87 Q N 0.911 120.771 119.800 0.100 0.000 2.737 87 Q HA 0.524 4.862 4.340 -0.002 0.000 0.307 87 Q C -1.264 174.822 176.000 0.142 0.000 0.905 87 Q CA -1.222 54.663 55.803 0.136 0.000 0.753 87 Q CB 0.518 29.351 28.738 0.159 0.000 1.463 87 Q HN 0.543 nan 8.270 nan 0.000 0.455 88 F N 1.342 121.323 119.950 0.053 0.000 2.539 88 F HA 0.235 4.761 4.527 -0.002 0.000 0.393 88 F C 1.267 177.084 175.800 0.029 0.000 1.032 88 F CA 2.402 60.426 58.000 0.040 0.000 1.120 88 F CB -0.186 38.846 39.000 0.053 0.000 1.014 88 F HN 0.907 nan 8.300 nan 0.000 0.546 89 G N 4.053 112.706 108.800 -0.244 0.000 2.956 89 G HA2 -0.262 3.697 3.960 -0.002 0.000 0.210 89 G HA3 -0.262 3.697 3.960 -0.002 0.000 0.210 89 G C -0.548 174.334 174.900 -0.030 0.000 1.316 89 G CA 0.153 45.184 45.100 -0.115 0.000 0.819 89 G HN 0.626 nan 8.290 nan 0.000 0.544 90 D N -0.439 119.929 120.400 -0.054 0.000 2.490 90 D HA 0.664 5.303 4.640 -0.002 0.000 0.232 90 D C -0.415 175.710 176.300 -0.292 0.000 1.053 90 D CA 0.365 54.231 54.000 -0.224 0.000 0.914 90 D CB 1.877 42.442 40.800 -0.392 0.000 1.431 90 D HN 0.497 nan 8.370 nan 0.000 0.483 91 S N 1.018 116.473 115.700 -0.409 0.000 2.664 91 S HA 0.379 4.848 4.470 -0.002 0.000 0.262 91 S C -1.598 172.782 174.600 -0.367 0.000 1.229 91 S CA -0.671 57.362 58.200 -0.279 0.000 1.151 91 S CB -0.357 62.773 63.200 -0.118 0.000 1.054 91 S HN 0.344 nan 8.310 nan 0.000 0.483 92 Y N 2.881 123.133 120.300 -0.082 0.000 2.313 92 Y HA 0.550 5.099 4.550 -0.002 0.000 0.332 92 Y C 0.236 175.859 175.900 -0.461 0.000 1.071 92 Y CA -0.906 57.007 58.100 -0.311 0.000 1.169 92 Y CB 1.357 39.594 38.460 -0.373 0.000 1.192 92 Y HN 0.351 nan 8.280 nan 0.000 0.487 93 V N 4.342 124.038 119.914 -0.364 0.000 2.487 93 V HA 0.333 4.452 4.120 -0.002 0.000 0.298 93 V C -0.999 174.814 176.094 -0.468 0.000 1.028 93 V CA -1.385 60.720 62.300 -0.326 0.000 0.860 93 V CB 1.012 32.734 31.823 -0.167 0.000 0.991 93 V HN 0.581 nan 8.190 nan 0.000 0.427 94 Y N 2.675 122.882 120.300 -0.156 0.000 2.352 94 Y HA 0.674 5.223 4.550 -0.002 0.000 0.339 94 Y C 0.025 175.822 175.900 -0.172 0.000 0.992 94 Y CA -0.922 57.071 58.100 -0.178 0.000 1.100 94 Y CB 2.162 40.486 38.460 -0.227 0.000 1.192 94 Y HN 0.391 nan 8.280 nan 0.000 0.458 95 V N 5.506 125.374 119.914 -0.078 0.000 2.513 95 V HA 0.457 4.576 4.120 -0.002 0.000 0.299 95 V C -0.353 175.502 176.094 -0.398 0.000 1.035 95 V CA -0.797 61.368 62.300 -0.225 0.000 0.889 95 V CB 1.575 33.236 31.823 -0.270 0.000 0.988 95 V HN 0.504 nan 8.190 nan 0.000 0.440 96 I N 3.985 124.315 120.570 -0.399 0.000 2.509 96 I HA 0.577 4.746 4.170 -0.002 0.000 0.293 96 I C -0.628 175.281 176.117 -0.346 0.000 1.020 96 I CA -0.423 60.658 61.300 -0.364 0.000 1.088 96 I CB 1.414 39.323 38.000 -0.152 0.000 1.267 96 I HN 0.424 nan 8.210 nan 0.000 0.430 97 F N 1.689 121.660 119.950 0.035 0.000 2.594 97 F HA 0.463 4.989 4.527 -0.002 0.000 0.335 97 F C 0.850 176.673 175.800 0.038 0.000 1.058 97 F CA -1.176 56.858 58.000 0.057 0.000 0.981 97 F CB 1.236 40.301 39.000 0.108 0.000 1.289 97 F HN 0.354 nan 8.300 nan 0.000 0.490 98 E N 0.589 120.943 120.200 0.257 0.000 2.438 98 E HA -0.006 4.343 4.350 -0.002 0.000 0.261 98 E C -0.850 175.818 176.600 0.115 0.000 1.103 98 E CA 0.109 56.587 56.400 0.129 0.000 0.959 98 E CB 0.166 29.916 29.700 0.083 0.000 0.958 98 E HN 0.259 nan 8.360 nan 0.000 0.447 99 D N 0.195 120.633 120.400 0.065 0.000 2.443 99 D HA 0.128 4.767 4.640 -0.002 0.000 0.234 99 D C 1.066 177.388 176.300 0.038 0.000 1.172 99 D CA 1.608 55.636 54.000 0.047 0.000 0.878 99 D CB 0.475 41.291 40.800 0.027 0.000 1.204 99 D HN 0.600 nan 8.370 nan 0.000 0.453 100 G N 1.459 110.275 108.800 0.027 0.000 2.180 100 G HA2 -0.294 3.665 3.960 -0.002 0.000 0.263 100 G HA3 -0.294 3.665 3.960 -0.002 0.000 0.263 100 G C 0.467 175.364 174.900 -0.005 0.000 0.989 100 G CA 0.994 46.095 45.100 0.001 0.000 0.692 100 G HN 0.775 nan 8.290 nan 0.000 0.526 101 T N -0.910 113.665 114.554 0.035 0.000 2.928 101 T HA 0.372 4.721 4.350 -0.002 0.000 0.305 101 T C 0.254 174.988 174.700 0.057 0.000 1.035 101 T CA 0.083 62.186 62.100 0.005 0.000 1.145 101 T CB 1.663 70.601 68.868 0.117 0.000 0.963 101 T HN 0.267 nan 8.240 nan 0.000 0.545 102 D N 4.035 124.423 120.400 -0.020 0.000 2.570 102 D HA 0.063 4.702 4.640 -0.002 0.000 0.243 102 D C -1.315 175.127 176.300 0.236 0.000 1.171 102 D CA -1.809 52.243 54.000 0.088 0.000 0.879 102 D CB 0.884 41.729 40.800 0.075 0.000 1.143 102 D HN 0.241 nan 8.370 nan 0.000 0.511 103 P HA -0.157 nan 4.420 nan 0.000 0.215 103 P C 0.886 178.188 177.300 0.004 0.000 1.153 103 P CA 1.324 64.438 63.100 0.024 0.000 0.853 103 P CB 0.002 31.592 31.700 -0.183 0.000 0.788 104 Y N -1.678 118.710 120.300 0.146 0.000 2.243 104 Y HA -0.149 4.399 4.550 -0.002 0.000 0.293 104 Y C 2.672 178.645 175.900 0.122 0.000 1.124 104 Y CA 0.621 58.785 58.100 0.107 0.000 1.159 104 Y CB -0.963 37.541 38.460 0.072 0.000 1.008 104 Y HN 0.051 nan 8.280 nan 0.000 0.527 105 W N 1.913 123.296 121.300 0.138 0.000 2.302 105 W HA -0.363 4.296 4.660 -0.002 0.000 0.320 105 W C 2.059 178.588 176.519 0.018 0.000 1.241 105 W CA 2.027 59.398 57.345 0.043 0.000 1.264 105 W CB -1.048 28.404 29.460 -0.014 0.000 1.154 105 W HN 0.109 nan 8.180 nan 0.000 0.483 106 A N 2.619 125.455 122.820 0.026 0.000 1.848 106 A HA -0.339 3.980 4.320 -0.002 0.000 0.217 106 A C 2.281 179.852 177.584 -0.021 0.000 1.220 106 A CA 3.364 55.356 52.037 -0.075 0.000 0.645 106 A CB -1.582 17.685 19.000 0.444 0.000 0.842 106 A HN 0.560 nan 8.150 nan 0.000 0.451 107 R N -0.474 120.084 120.500 0.096 0.000 2.127 107 R HA -0.126 4.212 4.340 -0.002 0.000 0.238 107 R C 2.218 178.515 176.300 -0.006 0.000 1.134 107 R CA 2.103 58.247 56.100 0.074 0.000 0.975 107 R CB -0.750 29.593 30.300 0.071 0.000 0.865 107 R HN 0.437 nan 8.270 nan 0.000 0.447 108 S N 0.185 115.842 115.700 -0.070 0.000 2.368 108 S HA -0.084 4.384 4.470 -0.002 0.000 0.225 108 S C 2.005 176.476 174.600 -0.216 0.000 1.030 108 S CA 0.843 58.970 58.200 -0.122 0.000 0.999 108 S CB -0.129 63.001 63.200 -0.115 0.000 0.844 108 S HN 0.374 nan 8.310 nan 0.000 0.459 109 R N 0.812 121.061 120.500 -0.420 0.000 2.070 109 R HA 0.003 4.342 4.340 -0.002 0.000 0.233 109 R C 2.360 178.603 176.300 -0.094 0.000 1.137 109 R CA 1.315 57.170 56.100 -0.410 0.000 0.945 109 R CB -1.625 28.213 30.300 -0.770 0.000 0.845 109 R HN 0.410 nan 8.270 nan 0.000 0.430 110 V N 2.101 122.030 119.914 0.025 0.000 2.324 110 V HA -0.237 3.882 4.120 -0.002 0.000 0.250 110 V C 2.498 178.641 176.094 0.081 0.000 1.060 110 V CA 1.737 64.108 62.300 0.119 0.000 1.042 110 V CB -0.621 31.276 31.823 0.122 0.000 0.650 110 V HN 0.286 nan 8.190 nan 0.000 0.450 111 L N -0.121 121.112 121.223 0.018 0.000 2.187 111 L HA -0.234 4.104 4.340 -0.002 0.000 0.213 111 L C 2.400 179.257 176.870 -0.022 0.000 1.100 111 L CA 1.784 56.622 54.840 -0.002 0.000 0.765 111 L CB -0.261 41.782 42.059 -0.026 0.000 0.904 111 L HN 0.328 nan 8.230 nan 0.000 0.437 112 E N -0.270 119.897 120.200 -0.055 0.000 2.086 112 E HA -0.269 4.080 4.350 -0.002 0.000 0.200 112 E C 1.417 177.843 176.600 -0.290 0.000 1.012 112 E CA 2.286 58.559 56.400 -0.213 0.000 0.812 112 E CB -0.222 29.288 29.700 -0.318 0.000 0.743 112 E HN 0.722 nan 8.360 nan 0.000 0.453 113 Y N -1.216 119.064 120.300 -0.032 0.000 2.457 113 Y HA 0.170 4.719 4.550 -0.002 0.000 0.263 113 Y C 1.463 177.349 175.900 -0.023 0.000 1.164 113 Y CA -0.254 57.832 58.100 -0.023 0.000 1.274 113 Y CB 0.176 38.626 38.460 -0.017 0.000 1.097 113 Y HN 0.040 nan 8.280 nan 0.000 0.523 114 L N 1.237 122.511 121.223 0.085 0.000 2.046 114 L HA -0.249 4.089 4.340 -0.002 0.000 0.208 114 L C 2.207 179.085 176.870 0.014 0.000 1.077 114 L CA 2.138 57.001 54.840 0.039 0.000 0.747 114 L CB -0.584 41.483 42.059 0.014 0.000 0.896 114 L HN 0.407 nan 8.230 nan 0.000 0.432 115 N N -1.282 117.413 118.700 -0.009 0.000 2.166 115 N HA -0.283 4.456 4.740 -0.002 0.000 0.186 115 N C 1.720 177.226 175.510 -0.006 0.000 1.019 115 N CA 1.620 54.659 53.050 -0.019 0.000 0.856 115 N CB -0.526 37.937 38.487 -0.039 0.000 0.993 115 N HN 0.361 nan 8.380 nan 0.000 0.426 116 Q N -0.482 119.323 119.800 0.008 0.000 2.297 116 Q HA 0.028 4.367 4.340 -0.002 0.000 0.208 116 Q C 1.770 177.787 176.000 0.029 0.000 0.981 116 Q CA 0.994 56.813 55.803 0.027 0.000 0.876 116 Q CB -0.039 28.742 28.738 0.071 0.000 0.921 116 Q HN 0.322 nan 8.270 nan 0.000 0.446 117 V N -0.263 119.668 119.914 0.027 0.000 2.992 117 V HA -0.125 3.994 4.120 -0.002 0.000 0.250 117 V C 1.840 177.932 176.094 -0.004 0.000 1.090 117 V CA 0.722 63.032 62.300 0.016 0.000 1.101 117 V CB -0.003 31.831 31.823 0.017 0.000 0.743 117 V HN 0.326 nan 8.190 nan 0.000 0.468 118 Q N 0.449 120.243 119.800 -0.010 0.000 2.112 118 Q HA -0.181 4.157 4.340 -0.002 0.000 0.206 118 Q C 2.273 178.259 176.000 -0.022 0.000 0.987 118 Q CA 2.010 57.800 55.803 -0.022 0.000 0.858 118 Q CB -0.826 27.899 28.738 -0.022 0.000 0.905 118 Q HN 0.650 nan 8.270 nan 0.000 0.420 119 G N 0.748 109.540 108.800 -0.014 0.000 2.534 119 G HA2 -0.172 3.787 3.960 -0.002 0.000 0.217 119 G HA3 -0.172 3.787 3.960 -0.002 0.000 0.217 119 G C 1.280 176.174 174.900 -0.010 0.000 1.128 119 G CA 0.193 45.286 45.100 -0.012 0.000 0.784 119 G HN 0.300 nan 8.290 nan 0.000 0.542 120 K N -0.474 119.921 120.400 -0.008 0.000 2.379 120 K HA 0.179 4.498 4.320 -0.002 0.000 0.194 120 K C 0.014 176.609 176.600 -0.010 0.000 1.031 120 K CA -0.084 56.202 56.287 -0.003 0.000 1.037 120 K CB 0.201 32.706 32.500 0.008 0.000 0.824 120 K HN 0.315 nan 8.250 nan 0.000 0.516 121 L N -0.784 120.423 121.223 -0.027 0.000 2.334 121 L HA 0.554 4.893 4.340 -0.002 0.000 0.270 121 L C -2.667 174.167 176.870 -0.060 0.000 1.018 121 L CA -2.960 51.850 54.840 -0.050 0.000 0.811 121 L CB -0.697 41.310 42.059 -0.087 0.000 1.271 121 L HN -0.270 nan 8.230 nan 0.000 0.443 122 P HA 0.168 nan 4.420 nan 0.000 0.273 122 P C 0.290 177.544 177.300 -0.076 0.000 1.258 122 P CA 0.215 63.289 63.100 -0.044 0.000 0.802 122 P CB 0.387 32.096 31.700 0.015 0.000 1.040 123 A N 0.608 123.407 122.820 -0.035 0.000 1.872 123 A HA 0.007 4.326 4.320 -0.002 0.000 0.214 123 A C 2.244 179.796 177.584 -0.052 0.000 1.187 123 A CA 1.821 53.839 52.037 -0.033 0.000 0.614 123 A CB -1.822 17.175 19.000 -0.005 0.000 0.826 123 A HN 0.622 nan 8.150 nan 0.000 0.442 124 G N -0.276 108.503 108.800 -0.034 0.000 2.501 124 G HA2 0.085 4.044 3.960 -0.002 0.000 0.220 124 G HA3 0.085 4.044 3.960 -0.002 0.000 0.220 124 G C 0.617 175.414 174.900 -0.172 0.000 1.114 124 G CA 1.053 46.132 45.100 -0.036 0.000 0.757 124 G HN 0.699 nan 8.290 nan 0.000 0.559 125 V N -0.564 119.168 119.914 -0.305 0.000 2.406 125 V HA 0.642 4.761 4.120 -0.002 0.000 0.272 125 V C -0.056 175.921 176.094 -0.194 0.000 1.043 125 V CA -1.059 61.025 62.300 -0.361 0.000 0.915 125 V CB 1.332 32.846 31.823 -0.514 0.000 0.988 125 V HN 0.035 nan 8.190 nan 0.000 0.466 126 S N 3.373 118.982 115.700 -0.151 0.000 2.502 126 S HA 0.791 5.260 4.470 -0.002 0.000 0.304 126 S C -0.073 174.472 174.600 -0.090 0.000 1.097 126 S CA -0.146 57.997 58.200 -0.094 0.000 1.045 126 S CB 1.389 64.553 63.200 -0.060 0.000 1.019 126 S HN 1.378 nan 8.310 nan 0.000 0.481 127 A N 4.455 127.232 122.820 -0.072 0.000 2.252 127 A HA 0.586 4.905 4.320 -0.002 0.000 0.309 127 A C -0.173 177.388 177.584 -0.039 0.000 1.285 127 A CA -0.524 51.476 52.037 -0.061 0.000 0.900 127 A CB 0.351 19.319 19.000 -0.054 0.000 1.157 127 A HN 0.796 nan 8.150 nan 0.000 0.536 128 E N 2.104 122.286 120.200 -0.029 0.000 2.151 128 E HA 0.288 4.637 4.350 -0.002 0.000 0.275 128 E C -1.227 175.370 176.600 -0.005 0.000 0.936 128 E CA -0.886 55.507 56.400 -0.012 0.000 0.777 128 E CB 2.162 31.864 29.700 0.004 0.000 1.108 128 E HN 0.518 nan 8.360 nan 0.000 0.401 129 L N 2.695 123.915 121.223 -0.006 0.000 2.360 129 L HA 0.219 4.558 4.340 -0.002 0.000 0.276 129 L C 0.911 177.783 176.870 0.004 0.000 1.121 129 L CA 0.452 55.291 54.840 -0.002 0.000 0.845 129 L CB 0.714 42.775 42.059 0.002 0.000 1.143 129 L HN 0.670 nan 8.230 nan 0.000 0.452 130 G N 5.430 114.233 108.800 0.004 0.000 2.846 130 G HA2 0.178 4.136 3.960 -0.002 0.000 0.257 130 G HA3 0.178 4.136 3.960 -0.002 0.000 0.257 130 G C -2.316 172.589 174.900 0.008 0.000 1.253 130 G CA -0.596 44.511 45.100 0.010 0.000 0.918 130 G HN 0.615 nan 8.290 nan 0.000 0.597 131 P HA 0.166 nan 4.420 nan 0.000 0.312 131 P C 0.350 177.654 177.300 0.006 0.000 1.307 131 P CA -0.263 62.834 63.100 -0.005 0.000 0.738 131 P CB 0.769 32.456 31.700 -0.022 0.000 1.422 132 D N -2.174 118.230 120.400 0.006 0.000 2.423 132 D HA 0.152 4.791 4.640 -0.002 0.000 0.212 132 D C 0.348 176.642 176.300 -0.011 0.000 1.060 132 D CA 0.022 54.028 54.000 0.011 0.000 0.872 132 D CB 0.054 40.893 40.800 0.065 0.000 1.012 132 D HN 0.309 nan 8.370 nan 0.000 0.503 133 A N 0.252 123.073 122.820 0.001 0.000 2.304 133 A HA 0.472 4.790 4.320 -0.002 0.000 0.271 133 A C 0.703 178.307 177.584 0.035 0.000 1.091 133 A CA -0.115 51.931 52.037 0.015 0.000 0.812 133 A CB 0.574 19.586 19.000 0.019 0.000 1.056 133 A HN 0.135 nan 8.150 nan 0.000 0.489 134 T N -0.054 114.525 114.554 0.042 0.000 2.788 134 T HA 0.395 4.743 4.350 -0.002 0.000 0.280 134 T C 1.664 176.427 174.700 0.106 0.000 0.984 134 T CA 0.408 62.537 62.100 0.048 0.000 0.972 134 T CB 0.547 69.430 68.868 0.025 0.000 1.039 134 T HN 1.024 nan 8.240 nan 0.000 0.530 135 G N 0.528 109.374 108.800 0.077 0.000 2.469 135 G HA2 -0.169 3.789 3.960 -0.002 0.000 0.220 135 G HA3 -0.169 3.789 3.960 -0.002 0.000 0.220 135 G C 1.637 176.599 174.900 0.104 0.000 1.136 135 G CA 1.026 46.174 45.100 0.080 0.000 0.759 135 G HN 0.635 nan 8.290 nan 0.000 0.562 136 V N 1.622 121.583 119.914 0.078 0.000 2.546 136 V HA -0.148 3.970 4.120 -0.002 0.000 0.254 136 V C 3.085 179.274 176.094 0.159 0.000 1.076 136 V CA 1.906 64.260 62.300 0.090 0.000 1.087 136 V CB -0.890 30.972 31.823 0.066 0.000 0.674 136 V HN 0.472 nan 8.190 nan 0.000 0.470 137 G N -1.116 107.798 108.800 0.190 0.000 2.475 137 G HA2 -0.258 3.701 3.960 -0.002 0.000 0.220 137 G HA3 -0.258 3.701 3.960 -0.002 0.000 0.220 137 G C 0.253 175.282 174.900 0.216 0.000 1.125 137 G CA 0.064 45.268 45.100 0.173 0.000 0.755 137 G HN 0.572 nan 8.290 nan 0.000 0.565 138 W N 0.742 122.036 121.300 -0.010 0.000 2.520 138 W HA 0.352 5.011 4.660 -0.002 0.000 0.337 138 W C 1.068 177.589 176.519 0.003 0.000 1.406 138 W CA -0.393 56.932 57.345 -0.033 0.000 1.318 138 W CB -0.052 29.346 29.460 -0.103 0.000 1.338 138 W HN 0.024 nan 8.180 nan 0.000 0.570 139 I N 1.954 122.653 120.570 0.215 0.000 5.146 139 I HA 0.053 4.222 4.170 -0.002 0.000 0.233 139 I C -0.072 176.289 176.117 0.407 0.000 0.965 139 I CA -0.518 60.959 61.300 0.296 0.000 1.750 139 I CB -0.491 37.647 38.000 0.229 0.000 1.492 139 I HN -0.048 nan 8.210 nan 0.000 0.465 140 Y N 3.678 124.090 120.300 0.188 0.000 2.504 140 Y HA 0.233 4.782 4.550 -0.002 0.000 0.351 140 Y C -0.160 175.850 175.900 0.183 0.000 0.988 140 Y CA -0.667 57.562 58.100 0.215 0.000 1.239 140 Y CB -0.043 38.498 38.460 0.137 0.000 1.128 140 Y HN 0.178 nan 8.280 nan 0.000 0.525 141 E N 6.487 126.666 120.200 -0.036 0.000 2.174 141 E HA 0.217 4.565 4.350 -0.002 0.000 0.282 141 E C -1.436 174.920 176.600 -0.405 0.000 0.992 141 E CA -0.677 55.613 56.400 -0.184 0.000 0.803 141 E CB 1.182 30.804 29.700 -0.129 0.000 1.090 141 E HN 0.614 nan 8.360 nan 0.000 0.396 142 Y N 0.451 120.472 120.300 -0.465 0.000 2.545 142 Y HA 0.774 5.322 4.550 -0.002 0.000 0.348 142 Y C -1.226 174.458 175.900 -0.360 0.000 1.002 142 Y CA -1.261 56.559 58.100 -0.465 0.000 1.039 142 Y CB 1.152 39.401 38.460 -0.352 0.000 1.271 142 Y HN 0.426 nan 8.280 nan 0.000 0.467 143 A N 3.436 126.122 122.820 -0.223 0.000 2.356 143 A HA 0.715 5.034 4.320 -0.002 0.000 0.323 143 A C -1.814 175.849 177.584 0.133 0.000 1.119 143 A CA -0.850 51.135 52.037 -0.087 0.000 0.790 143 A CB 1.648 20.635 19.000 -0.023 0.000 1.273 143 A HN 0.793 nan 8.150 nan 0.000 0.452 144 L N 3.501 124.809 121.223 0.142 0.000 2.371 144 L HA 0.442 4.780 4.340 -0.002 0.000 0.262 144 L C -0.132 176.810 176.870 0.119 0.000 1.054 144 L CA -0.228 54.711 54.840 0.164 0.000 0.924 144 L CB 0.140 42.304 42.059 0.174 0.000 1.295 144 L HN 0.645 nan 8.230 nan 0.000 0.441 145 V N 1.317 121.294 119.914 0.105 0.000 2.837 145 V HA 0.663 4.782 4.120 -0.002 0.000 0.310 145 V C -0.269 175.870 176.094 0.076 0.000 1.059 145 V CA -0.826 61.526 62.300 0.087 0.000 1.004 145 V CB 1.858 33.729 31.823 0.080 0.000 1.045 145 V HN 0.697 nan 8.190 nan 0.000 0.465 146 D N 2.236 122.682 120.400 0.076 0.000 2.256 146 D HA 0.313 4.951 4.640 -0.002 0.000 0.240 146 D C -0.339 176.002 176.300 0.069 0.000 1.062 146 D CA -0.796 53.253 54.000 0.082 0.000 0.832 146 D CB 1.483 42.347 40.800 0.106 0.000 1.135 146 D HN 0.389 nan 8.370 nan 0.000 0.484 147 R N 1.903 122.441 120.500 0.064 0.000 2.608 147 R HA 0.378 4.716 4.340 -0.002 0.000 0.277 147 R C 0.093 176.422 176.300 0.048 0.000 1.341 147 R CA -0.200 55.930 56.100 0.051 0.000 1.199 147 R CB -1.147 29.180 30.300 0.045 0.000 1.156 147 R HN 0.846 nan 8.270 nan 0.000 0.558 148 S N -1.412 114.314 115.700 0.044 0.000 2.617 148 S HA -0.029 4.439 4.470 -0.002 0.000 0.303 148 S C 0.492 175.113 174.600 0.035 0.000 1.059 148 S CA -0.204 58.016 58.200 0.034 0.000 1.341 148 S CB -0.760 62.460 63.200 0.032 0.000 1.382 148 S HN 0.362 nan 8.310 nan 0.000 0.409 149 G N 0.379 109.193 108.800 0.023 0.000 2.944 149 G HA2 0.247 4.206 3.960 -0.002 0.000 0.223 149 G HA3 0.247 4.206 3.960 -0.002 0.000 0.223 149 G C 0.869 175.775 174.900 0.011 0.000 1.071 149 G CA 0.757 45.869 45.100 0.021 0.000 0.806 149 G HN 0.852 nan 8.290 nan 0.000 0.538 150 K N -0.102 120.293 120.400 -0.009 0.000 2.089 150 K HA -0.151 4.167 4.320 -0.002 0.000 0.210 150 K C 0.179 176.694 176.600 -0.141 0.000 1.048 150 K CA 0.882 57.120 56.287 -0.082 0.000 0.926 150 K CB -0.152 32.283 32.500 -0.108 0.000 0.714 150 K HN 0.229 nan 8.250 nan 0.000 0.448 151 H N 1.038 120.114 119.070 0.011 0.000 2.562 151 H HA 0.046 4.600 4.556 -0.002 0.000 0.314 151 H C -0.825 174.514 175.328 0.018 0.000 1.079 151 H CA -0.630 55.427 56.048 0.014 0.000 1.349 151 H CB 1.130 30.903 29.762 0.019 0.000 1.432 151 H HN 0.205 nan 8.280 nan 0.000 0.479 152 D N 2.578 123.065 120.400 0.146 0.000 2.399 152 D HA -0.067 4.572 4.640 -0.002 0.000 0.241 152 D C 1.468 177.822 176.300 0.091 0.000 1.133 152 D CA -0.151 53.899 54.000 0.084 0.000 0.890 152 D CB 1.001 41.833 40.800 0.052 0.000 1.201 152 D HN 0.474 nan 8.370 nan 0.000 0.432 153 L N 3.351 124.612 121.223 0.063 0.000 2.012 153 L HA -0.238 4.100 4.340 -0.002 0.000 0.210 153 L C 1.973 178.883 176.870 0.067 0.000 1.073 153 L CA 1.925 56.801 54.840 0.059 0.000 0.748 153 L CB -0.327 41.755 42.059 0.039 0.000 0.891 153 L HN 0.584 nan 8.230 nan 0.000 0.431 154 A N -0.944 121.910 122.820 0.057 0.000 2.019 154 A HA -0.271 4.048 4.320 -0.002 0.000 0.219 154 A C 1.987 179.632 177.584 0.101 0.000 1.164 154 A CA 1.846 53.923 52.037 0.067 0.000 0.644 154 A CB -0.618 18.397 19.000 0.025 0.000 0.805 154 A HN 0.589 nan 8.150 nan 0.000 0.449 155 D N -0.220 120.238 120.400 0.097 0.000 2.224 155 D HA -0.044 4.595 4.640 -0.002 0.000 0.205 155 D C 1.830 178.212 176.300 0.136 0.000 0.965 155 D CA 0.793 54.867 54.000 0.123 0.000 0.852 155 D CB -0.059 40.835 40.800 0.157 0.000 0.947 155 D HN 0.460 nan 8.370 nan 0.000 0.494 156 L N 0.012 121.306 121.223 0.117 0.000 2.007 156 L HA -0.042 4.297 4.340 -0.002 0.000 0.205 156 L C 2.784 179.732 176.870 0.130 0.000 1.073 156 L CA 0.537 55.440 54.840 0.104 0.000 0.744 156 L CB -0.469 41.643 42.059 0.089 0.000 0.898 156 L HN -0.097 nan 8.230 nan 0.000 0.435 157 R N 0.117 120.691 120.500 0.123 0.000 2.119 157 R HA -0.184 4.155 4.340 -0.002 0.000 0.246 157 R C 2.377 178.779 176.300 0.171 0.000 1.146 157 R CA 1.916 58.082 56.100 0.110 0.000 0.962 157 R CB -0.651 29.711 30.300 0.102 0.000 0.863 157 R HN 0.296 nan 8.270 nan 0.000 0.442 158 S N 0.828 116.714 115.700 0.310 0.000 2.368 158 S HA -0.134 4.335 4.470 -0.002 0.000 0.225 158 S C 1.743 176.624 174.600 0.468 0.000 1.030 158 S CA 0.955 59.501 58.200 0.576 0.000 0.999 158 S CB -0.217 63.305 63.200 0.538 0.000 0.844 158 S HN 0.223 nan 8.310 nan 0.000 0.459 159 L N 1.782 123.171 121.223 0.278 0.000 2.093 159 L HA 0.011 4.350 4.340 -0.002 0.000 0.208 159 L C 2.205 179.253 176.870 0.297 0.000 1.085 159 L CA 1.794 56.779 54.840 0.242 0.000 0.755 159 L CB -0.736 41.389 42.059 0.111 0.000 0.904 159 L HN 0.192 nan 8.230 nan 0.000 0.435 160 Q N -0.838 119.087 119.800 0.208 0.000 2.245 160 Q HA -0.142 4.197 4.340 -0.002 0.000 0.201 160 Q C 1.537 177.570 176.000 0.056 0.000 0.955 160 Q CA 1.194 57.097 55.803 0.167 0.000 0.870 160 Q CB 0.076 28.885 28.738 0.118 0.000 0.945 160 Q HN 0.582 nan 8.270 nan 0.000 0.461 161 D N -1.165 119.207 120.400 -0.046 0.000 2.120 161 D HA -0.096 4.543 4.640 -0.002 0.000 0.202 161 D C 1.476 177.470 176.300 -0.511 0.000 0.972 161 D CA 0.808 54.554 54.000 -0.423 0.000 0.837 161 D CB 0.067 40.272 40.800 -0.992 0.000 0.989 161 D HN 0.377 nan 8.370 nan 0.000 0.469 162 W N -0.549 120.693 121.300 -0.096 0.000 2.792 162 W HA 0.103 4.762 4.660 -0.002 0.000 0.262 162 W C 1.953 178.239 176.519 -0.389 0.000 1.212 162 W CA -0.387 56.721 57.345 -0.395 0.000 1.433 162 W CB -0.657 28.625 29.460 -0.298 0.000 1.004 162 W HN -0.105 nan 8.180 nan 0.000 0.608 163 F N 0.824 120.787 119.950 0.022 0.000 2.164 163 F HA 0.061 4.587 4.527 -0.002 0.000 0.287 163 F C 2.118 177.959 175.800 0.069 0.000 1.086 163 F CA 1.432 59.446 58.000 0.023 0.000 1.249 163 F CB -0.764 38.265 39.000 0.050 0.000 1.059 163 F HN -0.382 nan 8.300 nan 0.000 0.490 164 L N 0.915 121.989 121.223 -0.249 0.000 1.961 164 L HA -0.183 4.156 4.340 -0.002 0.000 0.209 164 L C 2.580 179.385 176.870 -0.108 0.000 1.075 164 L CA 1.880 56.522 54.840 -0.331 0.000 0.749 164 L CB -0.800 41.274 42.059 0.025 0.000 0.890 164 L HN 0.141 nan 8.230 nan 0.000 0.433 165 K N -0.788 119.635 120.400 0.039 0.000 2.242 165 K HA -0.270 4.049 4.320 -0.002 0.000 0.206 165 K C 1.930 178.612 176.600 0.137 0.000 1.045 165 K CA 1.806 58.144 56.287 0.085 0.000 0.930 165 K CB -0.127 32.414 32.500 0.069 0.000 0.726 165 K HN 0.202 nan 8.250 nan 0.000 0.462 166 Y N 0.790 121.011 120.300 -0.133 0.000 2.365 166 Y HA 0.017 4.566 4.550 -0.002 0.000 0.293 166 Y C 2.136 177.953 175.900 -0.138 0.000 1.119 166 Y CA 0.544 58.581 58.100 -0.106 0.000 1.203 166 Y CB 0.062 38.490 38.460 -0.054 0.000 1.026 166 Y HN 0.097 nan 8.280 nan 0.000 0.549 167 E N -0.469 119.687 120.200 -0.074 0.000 2.107 167 E HA -0.088 4.261 4.350 -0.002 0.000 0.191 167 E C 1.617 178.153 176.600 -0.107 0.000 0.982 167 E CA 0.840 57.150 56.400 -0.150 0.000 0.809 167 E CB -0.131 29.368 29.700 -0.335 0.000 0.756 167 E HN 0.313 nan 8.360 nan 0.000 0.459 168 L N 0.341 121.509 121.223 -0.092 0.000 2.607 168 L HA 0.105 4.444 4.340 -0.002 0.000 0.228 168 L C 1.836 178.671 176.870 -0.057 0.000 1.123 168 L CA 0.653 55.453 54.840 -0.066 0.000 0.890 168 L CB -0.058 41.981 42.059 -0.034 0.000 1.103 168 L HN -0.083 nan 8.230 nan 0.000 0.468 169 K N -1.230 119.125 120.400 -0.075 0.000 2.404 169 K HA 0.049 4.368 4.320 -0.002 0.000 0.194 169 K C 1.222 177.769 176.600 -0.088 0.000 1.023 169 K CA 0.424 56.655 56.287 -0.094 0.000 1.094 169 K CB 0.340 32.751 32.500 -0.148 0.000 0.841 169 K HN 0.223 nan 8.250 nan 0.000 0.523 170 T N 0.837 115.347 114.554 -0.075 0.000 2.937 170 T HA 0.115 4.464 4.350 -0.002 0.000 0.260 170 T C 0.956 175.624 174.700 -0.053 0.000 1.051 170 T CA 0.084 62.146 62.100 -0.063 0.000 1.141 170 T CB 0.065 68.901 68.868 -0.053 0.000 0.879 170 T HN 0.081 nan 8.240 nan 0.000 0.459 171 I N 3.975 124.513 120.570 -0.053 0.000 2.906 171 I HA -0.059 4.110 4.170 -0.002 0.000 0.302 171 I C -0.789 175.303 176.117 -0.042 0.000 1.220 171 I CA -1.093 60.178 61.300 -0.048 0.000 1.441 171 I CB 0.522 38.490 38.000 -0.053 0.000 1.336 171 I HN 0.114 nan 8.210 nan 0.000 0.565 172 P HA -0.244 nan 4.420 nan 0.000 0.216 172 P C 0.547 177.831 177.300 -0.026 0.000 1.151 172 P CA 1.774 64.855 63.100 -0.031 0.000 0.953 172 P CB 0.110 31.794 31.700 -0.027 0.000 0.789 173 D N -1.352 119.035 120.400 -0.021 0.000 2.340 173 D HA 0.103 4.742 4.640 -0.002 0.000 0.217 173 D C 0.077 176.370 176.300 -0.011 0.000 1.081 173 D CA -0.051 53.943 54.000 -0.010 0.000 0.842 173 D CB -0.087 40.712 40.800 -0.003 0.000 0.934 173 D HN 0.001 nan 8.370 nan 0.000 0.511 174 V N 1.584 121.484 119.914 -0.023 0.000 2.479 174 V HA 0.260 4.379 4.120 -0.002 0.000 0.281 174 V C 1.381 177.453 176.094 -0.037 0.000 1.031 174 V CA -0.179 62.104 62.300 -0.029 0.000 1.038 174 V CB 0.983 32.785 31.823 -0.035 0.000 0.981 174 V HN 0.094 nan 8.190 nan 0.000 0.478 175 A N 5.365 128.162 122.820 -0.039 0.000 1.861 175 A HA 0.098 4.417 4.320 -0.002 0.000 0.214 175 A C 0.797 178.341 177.584 -0.067 0.000 1.322 175 A CA 0.918 52.931 52.037 -0.039 0.000 0.601 175 A CB -0.103 18.878 19.000 -0.031 0.000 0.966 175 A HN 0.921 nan 8.150 nan 0.000 0.471 176 E N -1.189 118.956 120.200 -0.093 0.000 2.256 176 E HA 0.595 4.944 4.350 -0.002 0.000 0.267 176 E C -1.685 174.828 176.600 -0.144 0.000 0.892 176 E CA -0.915 55.416 56.400 -0.114 0.000 0.775 176 E CB 2.069 31.702 29.700 -0.111 0.000 1.207 176 E HN 0.017 nan 8.360 nan 0.000 0.420 177 V N 2.120 121.959 119.914 -0.126 0.000 2.318 177 V HA 0.464 4.583 4.120 -0.002 0.000 0.271 177 V C -0.031 175.974 176.094 -0.149 0.000 1.030 177 V CA -0.408 61.821 62.300 -0.118 0.000 0.844 177 V CB 0.674 32.474 31.823 -0.039 0.000 1.015 177 V HN 0.832 nan 8.190 nan 0.000 0.460 178 A N 4.572 127.251 122.820 -0.236 0.000 2.409 178 A HA 0.602 4.921 4.320 -0.002 0.000 0.262 178 A C 0.560 178.038 177.584 -0.176 0.000 1.113 178 A CA -0.109 51.790 52.037 -0.229 0.000 0.790 178 A CB 0.299 19.084 19.000 -0.358 0.000 1.046 178 A HN 0.705 nan 8.150 nan 0.000 0.496 179 S N 0.815 116.437 115.700 -0.129 0.000 2.537 179 S HA 0.483 4.952 4.470 -0.002 0.000 0.275 179 S C -0.259 174.300 174.600 -0.069 0.000 1.272 179 S CA -0.503 57.630 58.200 -0.110 0.000 1.050 179 S CB 1.370 64.498 63.200 -0.120 0.000 0.961 179 S HN 0.949 nan 8.310 nan 0.000 0.496 180 V N 3.143 123.026 119.914 -0.052 0.000 2.735 180 V HA 0.823 4.942 4.120 -0.002 0.000 0.310 180 V C 0.438 176.516 176.094 -0.027 0.000 1.061 180 V CA 0.833 63.121 62.300 -0.020 0.000 0.913 180 V CB 0.855 32.688 31.823 0.016 0.000 1.005 180 V HN 1.255 nan 8.190 nan 0.000 0.428 181 G N 4.191 112.970 108.800 -0.035 0.000 2.553 181 G HA2 0.371 4.330 3.960 -0.002 0.000 0.242 181 G HA3 0.371 4.330 3.960 -0.002 0.000 0.242 181 G C 1.012 175.908 174.900 -0.007 0.000 1.277 181 G CA 0.151 45.228 45.100 -0.039 0.000 0.910 181 G HN 2.805 nan 8.290 nan 0.000 0.576 182 G N -2.689 106.112 108.800 0.002 0.000 2.697 182 G HA2 0.243 4.202 3.960 -0.002 0.000 0.240 182 G HA3 0.243 4.202 3.960 -0.002 0.000 0.240 182 G C -0.057 174.862 174.900 0.032 0.000 1.346 182 G CA 0.519 45.635 45.100 0.027 0.000 0.887 182 G HN 2.043 nan 8.290 nan 0.000 0.569 183 V N -0.178 119.768 119.914 0.053 0.000 2.656 183 V HA 0.542 4.660 4.120 -0.002 0.000 0.307 183 V C 0.424 176.576 176.094 0.097 0.000 1.051 183 V CA -0.427 61.907 62.300 0.057 0.000 0.893 183 V CB 1.909 33.756 31.823 0.040 0.000 0.999 183 V HN 1.113 nan 8.190 nan 0.000 0.426 184 V N 4.558 124.534 119.914 0.104 0.000 2.389 184 V HA 0.303 4.422 4.120 -0.002 0.000 0.264 184 V C 0.481 176.667 176.094 0.155 0.000 1.049 184 V CA -0.781 61.624 62.300 0.175 0.000 0.932 184 V CB 0.674 32.587 31.823 0.151 0.000 1.011 184 V HN 0.872 nan 8.190 nan 0.000 0.475 185 K N 4.287 124.799 120.400 0.187 0.000 2.473 185 K HA -0.022 4.297 4.320 -0.002 0.000 0.277 185 K C 0.039 176.577 176.600 -0.103 0.000 1.052 185 K CA 0.431 56.669 56.287 -0.082 0.000 1.114 185 K CB 0.312 32.517 32.500 -0.492 0.000 0.869 185 K HN 0.907 nan 8.250 nan 0.000 0.481 186 E N 5.115 125.208 120.200 -0.177 0.000 2.216 186 E HA 0.119 4.468 4.350 -0.002 0.000 0.260 186 E C -1.364 175.117 176.600 -0.199 0.000 0.880 186 E CA -0.884 55.434 56.400 -0.137 0.000 0.765 186 E CB 0.547 30.236 29.700 -0.018 0.000 1.174 186 E HN 0.439 nan 8.360 nan 0.000 0.417 187 Y N 2.721 122.984 120.300 -0.063 0.000 2.605 187 Y HA 0.090 4.639 4.550 -0.002 0.000 0.336 187 Y C 0.384 176.158 175.900 -0.209 0.000 1.111 187 Y CA 0.118 58.086 58.100 -0.220 0.000 1.422 187 Y CB 0.554 38.818 38.460 -0.326 0.000 1.193 187 Y HN 0.495 nan 8.280 nan 0.000 0.526 188 Q N 2.504 122.269 119.800 -0.059 0.000 2.327 188 Q HA 0.528 4.867 4.340 -0.002 0.000 0.270 188 Q C -1.575 174.385 176.000 -0.067 0.000 1.022 188 Q CA -0.640 55.137 55.803 -0.043 0.000 0.773 188 Q CB 1.347 30.076 28.738 -0.015 0.000 1.251 188 Q HN 0.513 nan 8.270 nan 0.000 0.457 189 V N 4.391 124.280 119.914 -0.042 0.000 2.348 189 V HA 0.244 4.363 4.120 -0.002 0.000 0.270 189 V C -0.320 175.791 176.094 0.028 0.000 1.037 189 V CA -0.557 61.736 62.300 -0.011 0.000 0.872 189 V CB 1.294 33.132 31.823 0.024 0.000 1.002 189 V HN 0.550 nan 8.190 nan 0.000 0.464 190 V N 7.448 127.386 119.914 0.040 0.000 2.370 190 V HA 0.480 4.599 4.120 -0.002 0.000 0.279 190 V C 0.027 176.175 176.094 0.090 0.000 1.029 190 V CA -0.427 61.919 62.300 0.077 0.000 0.870 190 V CB 1.087 32.960 31.823 0.085 0.000 0.984 190 V HN 0.629 nan 8.190 nan 0.000 0.451 191 I N 5.243 125.891 120.570 0.131 0.000 2.662 191 I HA 0.394 4.563 4.170 -0.002 0.000 0.291 191 I C -0.029 176.144 176.117 0.094 0.000 1.046 191 I CA -0.019 61.359 61.300 0.130 0.000 1.361 191 I CB 1.376 39.501 38.000 0.209 0.000 1.429 191 I HN 0.742 nan 8.210 nan 0.000 0.558 192 D N 5.728 126.136 120.400 0.012 0.000 2.481 192 D HA 0.402 5.040 4.640 -0.002 0.000 0.246 192 D C -2.051 174.137 176.300 -0.185 0.000 1.109 192 D CA -1.851 52.108 54.000 -0.068 0.000 0.845 192 D CB 2.249 43.056 40.800 0.012 0.000 1.160 192 D HN 0.075 nan 8.370 nan 0.000 0.534 193 P HA -0.160 nan 4.420 nan 0.000 0.217 193 P C 0.866 178.014 177.300 -0.254 0.000 1.148 193 P CA 1.186 63.941 63.100 -0.575 0.000 0.828 193 P CB 0.316 31.293 31.700 -1.206 0.000 0.783 194 Q N -1.325 118.392 119.800 -0.138 0.000 2.137 194 Q HA -0.042 4.296 4.340 -0.002 0.000 0.198 194 Q C 2.286 178.313 176.000 0.044 0.000 0.960 194 Q CA 1.070 56.864 55.803 -0.015 0.000 0.847 194 Q CB -0.310 28.456 28.738 0.046 0.000 0.915 194 Q HN 0.052 nan 8.270 nan 0.000 0.448 195 R N 0.051 120.570 120.500 0.032 0.000 2.073 195 R HA -0.083 4.256 4.340 -0.002 0.000 0.234 195 R C 2.091 178.434 176.300 0.073 0.000 1.134 195 R CA 0.887 57.019 56.100 0.054 0.000 0.952 195 R CB -0.908 29.359 30.300 -0.055 0.000 0.850 195 R HN 0.228 nan 8.270 nan 0.000 0.433 196 L N 0.730 121.967 121.223 0.024 0.000 1.990 196 L HA -0.166 4.173 4.340 -0.002 0.000 0.213 196 L C 2.512 179.454 176.870 0.120 0.000 1.072 196 L CA 2.195 57.073 54.840 0.063 0.000 0.755 196 L CB -1.255 40.845 42.059 0.069 0.000 0.889 196 L HN 0.185 nan 8.230 nan 0.000 0.432 197 A N -1.308 121.560 122.820 0.081 0.000 1.873 197 A HA -0.319 4.000 4.320 -0.002 0.000 0.218 197 A C 2.193 179.839 177.584 0.104 0.000 1.193 197 A CA 2.063 54.143 52.037 0.071 0.000 0.629 197 A CB -0.677 18.339 19.000 0.027 0.000 0.826 197 A HN 0.596 nan 8.150 nan 0.000 0.447 198 Q N -1.945 117.951 119.800 0.159 0.000 2.135 198 Q HA -0.208 4.131 4.340 -0.002 0.000 0.204 198 Q C 1.511 177.517 176.000 0.009 0.000 0.981 198 Q CA 2.007 57.868 55.803 0.096 0.000 0.856 198 Q CB -0.257 28.568 28.738 0.146 0.000 0.902 198 Q HN 0.938 nan 8.270 nan 0.000 0.425 199 Y N -1.722 118.578 120.300 0.001 0.000 2.449 199 Y HA 0.255 4.804 4.550 -0.002 0.000 0.254 199 Y C 1.423 177.325 175.900 0.004 0.000 1.140 199 Y CA -0.105 57.994 58.100 -0.001 0.000 1.272 199 Y CB 0.939 39.397 38.460 -0.002 0.000 1.114 199 Y HN 0.162 nan 8.280 nan 0.000 0.525 200 G N 2.334 111.229 108.800 0.158 0.000 2.203 200 G HA2 -0.324 3.635 3.960 -0.002 0.000 0.263 200 G HA3 -0.324 3.635 3.960 -0.002 0.000 0.263 200 G C 0.151 175.109 174.900 0.096 0.000 1.012 200 G CA 0.470 45.629 45.100 0.098 0.000 0.749 200 G HN 0.552 nan 8.290 nan 0.000 0.512 201 I N -1.211 119.425 120.570 0.110 0.000 2.291 201 I HA 0.664 4.832 4.170 -0.002 0.000 0.292 201 I C 0.624 176.783 176.117 0.071 0.000 1.064 201 I CA -0.579 60.767 61.300 0.076 0.000 1.269 201 I CB 1.214 39.249 38.000 0.059 0.000 1.418 201 I HN 0.062 nan 8.210 nan 0.000 0.485 202 S N 4.798 120.538 115.700 0.067 0.000 2.573 202 S HA 0.219 4.688 4.470 -0.002 0.000 0.277 202 S C 1.249 175.863 174.600 0.024 0.000 1.346 202 S CA -0.475 57.770 58.200 0.075 0.000 1.034 202 S CB 0.856 64.099 63.200 0.071 0.000 0.879 202 S HN 0.766 nan 8.310 nan 0.000 0.528 203 L N 3.289 124.500 121.223 -0.020 0.000 2.013 203 L HA -0.217 4.122 4.340 -0.002 0.000 0.212 203 L C 2.780 179.582 176.870 -0.113 0.000 1.073 203 L CA 1.905 56.671 54.840 -0.124 0.000 0.753 203 L CB -0.923 40.919 42.059 -0.361 0.000 0.890 203 L HN 0.919 nan 8.230 nan 0.000 0.432 204 A N -0.373 122.379 122.820 -0.114 0.000 1.958 204 A HA -0.259 4.060 4.320 -0.002 0.000 0.221 204 A C 2.101 179.662 177.584 -0.037 0.000 1.178 204 A CA 1.961 53.953 52.037 -0.075 0.000 0.642 204 A CB -0.480 18.490 19.000 -0.050 0.000 0.816 204 A HN 0.516 nan 8.150 nan 0.000 0.453 205 E N -0.250 119.940 120.200 -0.017 0.000 2.077 205 E HA -0.131 4.217 4.350 -0.002 0.000 0.193 205 E C 2.146 178.745 176.600 -0.002 0.000 0.989 205 E CA 1.507 57.906 56.400 -0.001 0.000 0.800 205 E CB -0.486 29.223 29.700 0.015 0.000 0.746 205 E HN 0.506 nan 8.360 nan 0.000 0.452 206 V N 1.848 121.757 119.914 -0.008 0.000 2.323 206 V HA -0.216 3.902 4.120 -0.002 0.000 0.244 206 V C 2.538 178.631 176.094 -0.001 0.000 1.041 206 V CA 1.826 64.126 62.300 -0.000 0.000 1.025 206 V CB -0.544 31.278 31.823 -0.002 0.000 0.656 206 V HN 0.195 nan 8.190 nan 0.000 0.451 207 K N 0.357 120.744 120.400 -0.022 0.000 2.097 207 K HA -0.169 4.150 4.320 -0.002 0.000 0.206 207 K C 2.261 178.857 176.600 -0.007 0.000 1.049 207 K CA 1.782 58.058 56.287 -0.019 0.000 0.933 207 K CB -0.176 32.296 32.500 -0.046 0.000 0.717 207 K HN 0.429 nan 8.250 nan 0.000 0.442 208 S N 0.261 115.955 115.700 -0.011 0.000 2.402 208 S HA -0.072 4.397 4.470 -0.002 0.000 0.229 208 S C 1.879 176.478 174.600 -0.001 0.000 1.021 208 S CA 1.066 59.262 58.200 -0.007 0.000 0.974 208 S CB -0.041 63.154 63.200 -0.007 0.000 0.800 208 S HN 0.532 nan 8.310 nan 0.000 0.484 209 A N 1.012 123.835 122.820 0.004 0.000 1.935 209 A HA 0.147 4.466 4.320 -0.002 0.000 0.214 209 A C 1.983 179.572 177.584 0.007 0.000 1.178 209 A CA 0.592 52.633 52.037 0.007 0.000 0.640 209 A CB -0.565 18.445 19.000 0.016 0.000 0.825 209 A HN 0.374 nan 8.150 nan 0.000 0.447 210 L N 0.872 122.107 121.223 0.020 0.000 1.990 210 L HA -0.200 4.139 4.340 -0.002 0.000 0.213 210 L C 1.363 178.246 176.870 0.023 0.000 1.072 210 L CA 2.517 57.379 54.840 0.036 0.000 0.755 210 L CB -1.114 40.982 42.059 0.061 0.000 0.889 210 L HN 0.380 nan 8.230 nan 0.000 0.432 211 D N -0.569 119.842 120.400 0.018 0.000 2.309 211 D HA -0.056 4.583 4.640 -0.002 0.000 0.212 211 D C 1.524 177.821 176.300 -0.006 0.000 0.968 211 D CA 1.147 55.154 54.000 0.013 0.000 0.882 211 D CB -0.077 40.728 40.800 0.009 0.000 0.918 211 D HN 0.451 nan 8.370 nan 0.000 0.503 212 A N -0.592 122.220 122.820 -0.013 0.000 2.574 212 A HA 0.393 4.712 4.320 -0.002 0.000 0.283 212 A C 0.528 178.087 177.584 -0.041 0.000 1.270 212 A CA -0.307 51.715 52.037 -0.025 0.000 0.945 212 A CB 0.543 19.533 19.000 -0.017 0.000 1.127 212 A HN -0.036 nan 8.150 nan 0.000 0.522 213 S N 0.545 116.212 115.700 -0.055 0.000 2.593 213 S HA 0.259 4.728 4.470 -0.002 0.000 0.178 213 S C -0.433 174.092 174.600 -0.126 0.000 1.114 213 S CA -0.507 57.641 58.200 -0.086 0.000 1.199 213 S CB -0.236 62.917 63.200 -0.078 0.000 1.564 213 S HN 0.443 nan 8.310 nan 0.000 0.407 214 N N 2.244 120.873 118.700 -0.118 0.000 2.861 214 N HA 0.092 4.831 4.740 -0.002 0.000 0.203 214 N C -1.250 174.160 175.510 -0.167 0.000 1.339 214 N CA 0.026 53.007 53.050 -0.115 0.000 1.208 214 N CB 0.261 38.717 38.487 -0.052 0.000 1.579 214 N HN 0.430 nan 8.380 nan 0.000 0.583 215 Q N -0.234 119.394 119.800 -0.286 0.000 2.418 215 Q HA 0.500 4.839 4.340 -0.002 0.000 0.282 215 Q C -1.448 174.265 176.000 -0.478 0.000 1.044 215 Q CA -0.911 54.670 55.803 -0.371 0.000 0.813 215 Q CB 2.781 31.407 28.738 -0.188 0.000 1.428 215 Q HN 0.266 nan 8.270 nan 0.000 0.402 216 E N 0.579 120.463 120.200 -0.527 0.000 2.292 216 E HA 0.779 5.128 4.350 -0.002 0.000 0.272 216 E C -1.882 174.605 176.600 -0.188 0.000 0.881 216 E CA -0.666 55.498 56.400 -0.393 0.000 0.754 216 E CB 1.712 31.079 29.700 -0.555 0.000 1.201 216 E HN 0.694 nan 8.360 nan 0.000 0.425 217 A N 2.479 125.232 122.820 -0.111 0.000 2.594 217 A HA 0.867 5.186 4.320 -0.002 0.000 0.291 217 A C -0.686 176.878 177.584 -0.032 0.000 1.105 217 A CA -0.181 51.820 52.037 -0.060 0.000 0.694 217 A CB 1.808 20.774 19.000 -0.058 0.000 1.291 217 A HN 0.629 nan 8.150 nan 0.000 0.410 218 G N -1.388 107.402 108.800 -0.017 0.000 2.714 218 G HA2 0.646 4.605 3.960 -0.002 0.000 0.292 218 G HA3 0.646 4.605 3.960 -0.002 0.000 0.292 218 G C -0.189 174.708 174.900 -0.004 0.000 1.308 218 G CA -0.374 44.723 45.100 -0.005 0.000 0.964 218 G HN 1.724 nan 8.290 nan 0.000 0.484 219 G N -0.545 108.257 108.800 0.003 0.000 3.948 219 G HA2 0.568 4.527 3.960 -0.002 0.000 0.300 219 G HA3 0.568 4.527 3.960 -0.002 0.000 0.300 219 G C -0.004 174.902 174.900 0.009 0.000 1.318 219 G CA 1.004 46.105 45.100 0.003 0.000 0.768 219 G HN 1.815 nan 8.290 nan 0.000 0.504 220 S N -0.291 115.416 115.700 0.011 0.000 3.443 220 S HA -0.100 4.368 4.470 -0.002 0.000 0.635 220 S C 0.718 175.333 174.600 0.026 0.000 2.555 220 S CA 1.296 59.505 58.200 0.015 0.000 2.778 220 S CB -1.095 62.112 63.200 0.013 0.000 0.331 220 S HN 2.301 nan 8.310 nan 0.000 1.765 221 S N 0.858 116.577 115.700 0.032 0.000 2.726 221 S HA 0.866 5.334 4.470 -0.002 0.000 0.308 221 S C -0.165 174.466 174.600 0.051 0.000 1.115 221 S CA -0.346 57.886 58.200 0.053 0.000 0.965 221 S CB 1.573 64.806 63.200 0.056 0.000 1.145 221 S HN 1.514 nan 8.310 nan 0.000 0.532 222 I N -1.889 118.725 120.570 0.074 0.000 2.569 222 I HA 0.505 4.674 4.170 -0.002 0.000 0.290 222 I C -0.343 175.816 176.117 0.071 0.000 1.088 222 I CA -0.652 60.677 61.300 0.048 0.000 1.047 222 I CB 2.000 40.009 38.000 0.015 0.000 1.237 222 I HN 0.825 nan 8.210 nan 0.000 0.421 223 E N 4.537 124.767 120.200 0.049 0.000 2.467 223 E HA 0.149 4.497 4.350 -0.002 0.000 0.321 223 E C -0.772 175.850 176.600 0.036 0.000 1.388 223 E CA -0.471 55.967 56.400 0.063 0.000 1.508 223 E CB 0.248 29.973 29.700 0.041 0.000 1.250 223 E HN 0.526 nan 8.360 nan 0.000 0.500 224 L N 2.196 123.424 121.223 0.009 0.000 2.326 224 L HA 0.475 4.814 4.340 -0.002 0.000 0.278 224 L C 0.197 177.079 176.870 0.019 0.000 1.092 224 L CA 0.821 55.603 54.840 -0.096 0.000 0.810 224 L CB 0.628 42.476 42.059 -0.352 0.000 1.153 224 L HN 0.526 nan 8.230 nan 0.000 0.439 225 A N 3.958 126.788 122.820 0.017 0.000 6.219 225 A HA -0.255 4.064 4.320 -0.002 0.000 0.263 225 A C 1.132 178.779 177.584 0.105 0.000 2.100 225 A CA 1.063 53.152 52.037 0.086 0.000 0.709 225 A CB -1.357 17.750 19.000 0.177 0.000 1.081 225 A HN 0.822 nan 8.150 nan 0.000 0.372 226 E N -0.915 119.346 120.200 0.102 0.000 2.122 226 E HA 0.381 4.730 4.350 -0.002 0.000 0.190 226 E C 1.340 177.989 176.600 0.082 0.000 0.977 226 E CA 1.324 57.767 56.400 0.072 0.000 0.820 226 E CB -0.421 29.305 29.700 0.044 0.000 0.770 226 E HN 1.218 nan 8.360 nan 0.000 0.462 227 A N 1.066 123.945 122.820 0.099 0.000 2.445 227 A HA 0.124 4.442 4.320 -0.002 0.000 0.242 227 A C -0.189 177.471 177.584 0.126 0.000 1.075 227 A CA -0.071 51.982 52.037 0.027 0.000 0.777 227 A CB 0.144 19.060 19.000 -0.140 0.000 1.013 227 A HN 0.041 nan 8.150 nan 0.000 0.493 228 E N 0.651 120.881 120.200 0.050 0.000 2.146 228 E HA 0.340 4.689 4.350 -0.002 0.000 0.282 228 E C -1.543 175.115 176.600 0.097 0.000 0.989 228 E CA -0.116 56.365 56.400 0.136 0.000 0.799 228 E CB 0.874 30.614 29.700 0.068 0.000 1.088 228 E HN 0.570 nan 8.360 nan 0.000 0.397 229 Y N 1.894 122.194 120.300 -0.000 0.000 2.313 229 Y HA 0.212 4.761 4.550 -0.002 0.000 0.332 229 Y C 0.614 176.514 175.900 0.000 0.000 1.071 229 Y CA -0.596 57.504 58.100 0.000 0.000 1.169 229 Y CB 0.642 39.102 38.460 -0.000 0.000 1.192 229 Y HN 0.386 nan 8.280 nan 0.000 0.487 230 M N 2.883 122.544 119.600 0.102 0.000 2.228 230 M HA 0.221 4.700 4.480 -0.002 0.000 0.351 230 M C -0.681 175.663 176.300 0.073 0.000 1.233 230 M CA -0.060 55.279 55.300 0.065 0.000 1.129 230 M CB 0.487 33.104 32.600 0.029 0.000 1.604 230 M HN 0.335 nan 8.290 nan 0.000 0.457 231 V N 5.382 125.327 119.914 0.052 0.000 2.370 231 V HA 0.512 4.631 4.120 -0.002 0.000 0.279 231 V C 0.048 176.156 176.094 0.024 0.000 1.029 231 V CA -0.315 62.008 62.300 0.038 0.000 0.870 231 V CB 1.090 32.929 31.823 0.027 0.000 0.984 231 V HN 0.917 nan 8.190 nan 0.000 0.451 232 R N 4.571 125.084 120.500 0.021 0.000 2.922 232 R HA 0.997 5.336 4.340 -0.002 0.000 0.256 232 R C -1.123 175.179 176.300 0.002 0.000 1.138 232 R CA -0.890 55.217 56.100 0.012 0.000 0.995 232 R CB 2.282 32.595 30.300 0.020 0.000 1.226 232 R HN 0.650 nan 8.270 nan 0.000 0.481 233 A N 0.658 123.473 122.820 -0.009 0.000 2.513 233 A HA 0.422 4.741 4.320 -0.002 0.000 0.296 233 A C -0.530 177.034 177.584 -0.033 0.000 1.052 233 A CA -0.543 51.482 52.037 -0.020 0.000 0.714 233 A CB 1.628 20.611 19.000 -0.028 0.000 1.279 233 A HN 0.813 nan 8.150 nan 0.000 0.397 234 S N 0.465 116.150 115.700 -0.024 0.000 2.586 234 S HA 0.433 4.902 4.470 -0.002 0.000 0.256 234 S C 1.313 175.867 174.600 -0.076 0.000 1.392 234 S CA 1.726 59.910 58.200 -0.027 0.000 0.983 234 S CB 0.468 63.655 63.200 -0.021 0.000 0.897 234 S HN 2.451 nan 8.310 nan 0.000 0.566 235 G N 0.195 108.941 108.800 -0.090 0.000 3.827 235 G HA2 0.005 3.964 3.960 -0.002 0.000 0.218 235 G HA3 0.005 3.964 3.960 -0.002 0.000 0.218 235 G C -0.280 174.516 174.900 -0.174 0.000 0.892 235 G CA -0.461 44.544 45.100 -0.160 0.000 0.857 235 G HN 0.643 nan 8.290 nan 0.000 0.508 236 Y N 0.835 121.091 120.300 -0.074 0.000 2.379 236 Y HA 0.507 5.056 4.550 -0.002 0.000 0.337 236 Y C 0.859 176.673 175.900 -0.143 0.000 1.238 236 Y CA -0.750 57.297 58.100 -0.087 0.000 1.405 236 Y CB 0.727 39.154 38.460 -0.055 0.000 1.310 236 Y HN 0.021 nan 8.280 nan 0.000 0.569 237 L N 2.222 123.445 121.223 0.001 0.000 2.453 237 L HA 0.133 4.472 4.340 -0.002 0.000 0.261 237 L C 0.073 176.875 176.870 -0.115 0.000 1.179 237 L CA 0.007 54.715 54.840 -0.219 0.000 0.813 237 L CB 0.833 42.578 42.059 -0.523 0.000 1.110 237 L HN 0.865 nan 8.230 nan 0.000 0.466 238 Q N -0.528 119.185 119.800 -0.146 0.000 1.694 238 Q HA 0.151 4.490 4.340 -0.002 0.000 0.153 238 Q C -0.982 174.979 176.000 -0.065 0.000 0.700 238 Q CA -0.318 55.441 55.803 -0.074 0.000 0.807 238 Q CB -0.604 28.111 28.738 -0.039 0.000 1.272 238 Q HN 0.576 nan 8.270 nan 0.000 0.338 239 T N -1.879 112.627 114.554 -0.080 0.000 3.295 239 T HA 0.394 4.743 4.350 -0.002 0.000 0.331 239 T C 0.356 175.069 174.700 0.022 0.000 1.142 239 T CA -0.752 61.321 62.100 -0.045 0.000 1.078 239 T CB 1.331 70.150 68.868 -0.080 0.000 1.150 239 T HN 0.144 nan 8.240 nan 0.000 0.465 240 L N 1.505 122.757 121.223 0.049 0.000 2.131 240 L HA -0.059 4.280 4.340 -0.002 0.000 0.210 240 L C 2.485 179.404 176.870 0.081 0.000 1.092 240 L CA 1.968 56.870 54.840 0.103 0.000 0.759 240 L CB -0.235 41.842 42.059 0.031 0.000 0.903 240 L HN 0.903 nan 8.230 nan 0.000 0.435 241 D N -0.584 119.809 120.400 -0.012 0.000 2.144 241 D HA -0.276 4.363 4.640 -0.002 0.000 0.199 241 D C 1.919 178.136 176.300 -0.138 0.000 0.984 241 D CA 1.284 55.230 54.000 -0.090 0.000 0.834 241 D CB -0.022 40.675 40.800 -0.171 0.000 0.955 241 D HN 0.200 nan 8.370 nan 0.000 0.465 242 D N -1.075 119.249 120.400 -0.127 0.000 2.144 242 D HA -0.161 4.478 4.640 -0.002 0.000 0.199 242 D C 1.763 177.980 176.300 -0.138 0.000 0.984 242 D CA 0.649 54.544 54.000 -0.175 0.000 0.834 242 D CB -0.236 40.439 40.800 -0.208 0.000 0.955 242 D HN 0.300 nan 8.370 nan 0.000 0.465 243 F N 1.154 121.039 119.950 -0.108 0.000 2.171 243 F HA -0.130 4.396 4.527 -0.002 0.000 0.300 243 F C 2.383 178.167 175.800 -0.026 0.000 1.090 243 F CA 0.775 58.731 58.000 -0.073 0.000 1.293 243 F CB -0.166 38.781 39.000 -0.087 0.000 1.013 243 F HN -0.036 nan 8.300 nan 0.000 0.486 244 N N -0.521 118.279 118.700 0.167 0.000 2.058 244 N HA -0.175 4.564 4.740 -0.002 0.000 0.191 244 N C 0.831 176.405 175.510 0.107 0.000 1.037 244 N CA 1.243 54.380 53.050 0.146 0.000 0.848 244 N CB -0.922 37.660 38.487 0.158 0.000 1.021 244 N HN 0.254 nan 8.380 nan 0.000 0.422 245 H N 0.481 119.413 119.070 -0.229 0.000 3.663 245 H HA 0.194 4.749 4.556 -0.002 0.000 0.250 245 H C 0.144 175.313 175.328 -0.264 0.000 1.363 245 H CA -0.036 55.711 56.048 -0.503 0.000 1.259 245 H CB -0.741 28.727 29.762 -0.490 0.000 1.435 245 H HN 0.137 nan 8.280 nan 0.000 0.692 246 I N 0.500 121.080 120.570 0.018 0.000 2.488 246 I HA 0.120 4.289 4.170 -0.002 0.000 0.299 246 I C 0.205 176.426 176.117 0.173 0.000 0.984 246 I CA -0.599 60.737 61.300 0.061 0.000 1.250 246 I CB 2.015 40.045 38.000 0.051 0.000 1.389 246 I HN -0.033 nan 8.210 nan 0.000 0.488 247 V N 6.956 126.956 119.914 0.144 0.000 2.472 247 V HA 0.361 4.480 4.120 -0.002 0.000 0.290 247 V C 0.498 176.640 176.094 0.080 0.000 1.037 247 V CA -0.098 62.299 62.300 0.162 0.000 0.908 247 V CB 2.021 33.922 31.823 0.130 0.000 0.985 247 V HN 0.666 nan 8.190 nan 0.000 0.454 248 L N 3.350 124.603 121.223 0.050 0.000 2.666 248 L HA 0.463 4.802 4.340 -0.002 0.000 0.184 248 L C 0.255 177.136 176.870 0.019 0.000 1.092 248 L CA -0.122 54.736 54.840 0.029 0.000 0.857 248 L CB 0.101 42.171 42.059 0.019 0.000 1.281 248 L HN 0.387 nan 8.230 nan 0.000 0.489 249 K N 1.395 121.802 120.400 0.012 0.000 2.367 249 K HA 0.656 4.975 4.320 -0.002 0.000 0.263 249 K C -1.020 175.570 176.600 -0.016 0.000 1.000 249 K CA -0.093 56.205 56.287 0.017 0.000 0.891 249 K CB 1.498 34.034 32.500 0.060 0.000 1.117 249 K HN 0.152 nan 8.250 nan 0.000 0.443 250 A N 2.373 125.183 122.820 -0.017 0.000 2.380 250 A HA 0.808 5.127 4.320 -0.002 0.000 0.315 250 A C -0.934 176.634 177.584 -0.027 0.000 1.101 250 A CA -0.521 51.494 52.037 -0.037 0.000 0.771 250 A CB 1.200 20.186 19.000 -0.023 0.000 1.287 250 A HN 0.786 nan 8.150 nan 0.000 0.436 251 S N 0.608 116.286 115.700 -0.036 0.000 2.588 251 S HA 0.675 5.144 4.470 -0.002 0.000 0.275 251 S C -0.690 173.895 174.600 -0.025 0.000 1.130 251 S CA -0.734 57.450 58.200 -0.027 0.000 0.855 251 S CB 1.461 64.644 63.200 -0.029 0.000 1.116 251 S HN 0.963 nan 8.310 nan 0.000 0.472 252 E N 1.193 121.382 120.200 -0.019 0.000 2.374 252 E HA 0.213 4.562 4.350 -0.002 0.000 0.260 252 E C -0.178 176.412 176.600 -0.017 0.000 1.101 252 E CA -0.465 55.926 56.400 -0.015 0.000 0.907 252 E CB -0.189 29.504 29.700 -0.012 0.000 1.014 252 E HN 0.813 nan 8.360 nan 0.000 0.427 253 N N 0.118 118.809 118.700 -0.014 0.000 2.693 253 N HA -0.188 4.551 4.740 -0.002 0.000 0.250 253 N C 0.261 175.760 175.510 -0.019 0.000 1.033 253 N CA 0.698 53.739 53.050 -0.014 0.000 0.747 253 N CB -0.834 37.646 38.487 -0.012 0.000 0.964 253 N HN 0.687 nan 8.380 nan 0.000 0.540 254 G N -0.477 108.309 108.800 -0.023 0.000 2.535 254 G HA2 0.627 4.586 3.960 -0.002 0.000 0.282 254 G HA3 0.627 4.586 3.960 -0.002 0.000 0.282 254 G C 0.158 175.034 174.900 -0.040 0.000 1.350 254 G CA 0.177 45.257 45.100 -0.033 0.000 1.039 254 G HN 0.283 nan 8.290 nan 0.000 0.509 255 V N -3.498 116.379 119.914 -0.062 0.000 3.258 255 V HA 0.878 4.996 4.120 -0.002 0.000 0.299 255 V C -2.899 173.112 176.094 -0.137 0.000 1.376 255 V CA -1.525 60.718 62.300 -0.095 0.000 1.063 255 V CB 1.763 33.539 31.823 -0.078 0.000 1.103 255 V HN 0.831 nan 8.190 nan 0.000 0.451 256 P HA 0.656 nan 4.420 nan 0.000 0.321 256 P C -1.906 175.164 177.300 -0.384 0.000 1.267 256 P CA -0.719 62.204 63.100 -0.296 0.000 1.309 256 P CB 2.845 34.319 31.700 -0.377 0.000 2.115 257 V N -0.496 119.275 119.914 -0.240 0.000 2.394 257 V HA 0.434 4.553 4.120 -0.002 0.000 0.282 257 V C -0.246 175.756 176.094 -0.153 0.000 1.031 257 V CA -0.605 61.591 62.300 -0.173 0.000 0.881 257 V CB 0.228 32.040 31.823 -0.018 0.000 0.982 257 V HN 0.391 nan 8.190 nan 0.000 0.451 258 Y N 2.567 122.832 120.300 -0.057 0.000 2.352 258 Y HA 0.354 4.902 4.550 -0.002 0.000 0.326 258 Y C 1.284 177.147 175.900 -0.061 0.000 1.166 258 Y CA -0.822 57.236 58.100 -0.069 0.000 1.182 258 Y CB 2.097 40.488 38.460 -0.115 0.000 1.216 258 Y HN 0.590 nan 8.280 nan 0.000 0.474 259 L N 3.125 124.445 121.223 0.163 0.000 2.129 259 L HA -0.271 4.068 4.340 -0.002 0.000 0.212 259 L C 2.595 179.506 176.870 0.067 0.000 1.087 259 L CA 1.666 56.557 54.840 0.084 0.000 0.757 259 L CB -0.196 41.925 42.059 0.103 0.000 0.896 259 L HN 0.736 nan 8.230 nan 0.000 0.434 260 R N -1.035 119.527 120.500 0.103 0.000 2.249 260 R HA -0.177 4.162 4.340 -0.002 0.000 0.230 260 R C 0.936 177.262 176.300 0.043 0.000 1.121 260 R CA 1.700 57.851 56.100 0.084 0.000 0.997 260 R CB -0.550 29.818 30.300 0.114 0.000 0.867 260 R HN 0.360 nan 8.270 nan 0.000 0.465 261 D N 0.423 120.825 120.400 0.004 0.000 2.349 261 D HA -0.010 4.629 4.640 -0.002 0.000 0.215 261 D C 1.349 177.518 176.300 -0.217 0.000 1.016 261 D CA 0.924 54.864 54.000 -0.101 0.000 0.870 261 D CB 0.992 41.687 40.800 -0.175 0.000 0.917 261 D HN 0.351 nan 8.370 nan 0.000 0.524 262 V N -4.067 115.760 119.914 -0.145 0.000 3.392 262 V HA 0.698 4.816 4.120 -0.002 0.000 0.294 262 V C 0.332 176.403 176.094 -0.037 0.000 1.561 262 V CA -0.194 62.023 62.300 -0.140 0.000 1.056 262 V CB 0.147 31.866 31.823 -0.174 0.000 0.882 262 V HN 0.015 nan 8.190 nan 0.000 0.440 263 A N 0.715 123.532 122.820 -0.005 0.000 2.594 263 A HA 0.751 5.070 4.320 -0.002 0.000 0.295 263 A C -0.950 176.654 177.584 0.033 0.000 1.071 263 A CA -0.648 51.405 52.037 0.027 0.000 0.685 263 A CB 1.929 20.951 19.000 0.038 0.000 1.285 263 A HN 0.311 nan 8.150 nan 0.000 0.405 264 K N 1.763 122.185 120.400 0.037 0.000 2.281 264 K HA 0.573 4.892 4.320 -0.002 0.000 0.272 264 K C -1.485 175.125 176.600 0.015 0.000 1.048 264 K CA -0.334 55.972 56.287 0.031 0.000 0.898 264 K CB 1.142 33.664 32.500 0.035 0.000 1.128 264 K HN 0.378 nan 8.250 nan 0.000 0.460 265 V N 6.405 126.321 119.914 0.003 0.000 2.348 265 V HA 0.153 4.271 4.120 -0.002 0.000 0.270 265 V C -0.347 175.717 176.094 -0.050 0.000 1.037 265 V CA -0.298 61.973 62.300 -0.049 0.000 0.872 265 V CB 0.772 32.550 31.823 -0.075 0.000 1.002 265 V HN 0.884 nan 8.190 nan 0.000 0.464 266 Q N 4.772 124.543 119.800 -0.048 0.000 2.397 266 Q HA 0.681 5.020 4.340 -0.002 0.000 0.275 266 Q C -1.086 174.899 176.000 -0.025 0.000 1.090 266 Q CA -0.980 54.808 55.803 -0.025 0.000 0.809 266 Q CB 2.621 31.354 28.738 -0.008 0.000 1.362 266 Q HN 0.522 nan 8.270 nan 0.000 0.431 267 I N 1.804 122.368 120.570 -0.010 0.000 2.496 267 I HA 0.410 4.579 4.170 -0.002 0.000 0.285 267 I C 0.472 176.557 176.117 -0.052 0.000 1.080 267 I CA 0.196 61.472 61.300 -0.038 0.000 1.404 267 I CB 0.943 38.908 38.000 -0.057 0.000 1.403 267 I HN 0.868 nan 8.210 nan 0.000 0.539 268 G N 7.005 115.766 108.800 -0.065 0.000 3.105 268 G HA2 0.697 4.656 3.960 -0.002 0.000 0.277 268 G HA3 0.697 4.656 3.960 -0.002 0.000 0.277 268 G C -2.948 171.930 174.900 -0.036 0.000 1.375 268 G CA -0.964 44.114 45.100 -0.037 0.000 0.962 268 G HN 0.382 nan 8.290 nan 0.000 0.541 269 P HA 0.279 nan 4.420 nan 0.000 0.295 269 P C -0.610 176.702 177.300 0.020 0.000 1.397 269 P CA -0.443 62.660 63.100 0.005 0.000 0.903 269 P CB 1.577 33.282 31.700 0.008 0.000 1.028 270 E N 4.881 125.101 120.200 0.033 0.000 2.558 270 E HA -0.030 4.319 4.350 -0.002 0.000 0.255 270 E C 0.395 177.023 176.600 0.048 0.000 0.968 270 E CA -0.291 56.137 56.400 0.047 0.000 0.939 270 E CB 0.263 30.003 29.700 0.067 0.000 0.921 270 E HN 0.456 nan 8.360 nan 0.000 0.477 271 M N 5.289 124.919 119.600 0.051 0.000 2.243 271 M HA -0.168 4.311 4.480 -0.002 0.000 0.446 271 M C -0.619 175.715 176.300 0.058 0.000 1.421 271 M CA 1.032 56.365 55.300 0.056 0.000 0.772 271 M CB 0.326 32.970 32.600 0.074 0.000 2.004 271 M HN 0.453 nan 8.290 nan 0.000 0.525 272 R N 5.703 126.229 120.500 0.044 0.000 2.390 272 R HA 0.255 4.594 4.340 -0.002 0.000 0.291 272 R C 0.384 176.710 176.300 0.045 0.000 1.070 272 R CA -0.312 55.810 56.100 0.036 0.000 1.014 272 R CB 0.371 30.680 30.300 0.015 0.000 1.007 272 R HN 0.752 nan 8.270 nan 0.000 0.466 273 R N 0.667 121.196 120.500 0.049 0.000 2.596 273 R HA 0.304 4.642 4.340 -0.002 0.000 0.369 273 R C -0.136 176.192 176.300 0.047 0.000 1.042 273 R CA -0.327 55.813 56.100 0.066 0.000 1.120 273 R CB 1.186 31.541 30.300 0.092 0.000 1.353 273 R HN 0.706 nan 8.270 nan 0.000 0.564 274 G N 1.539 110.350 108.800 0.018 0.000 2.219 274 G HA2 0.315 4.274 3.960 -0.002 0.000 0.304 274 G HA3 0.315 4.274 3.960 -0.002 0.000 0.304 274 G C -1.346 173.536 174.900 -0.031 0.000 1.712 274 G CA -0.849 44.249 45.100 -0.003 0.000 0.905 274 G HN 0.111 nan 8.290 nan 0.000 0.706 275 I N 1.987 122.518 120.570 -0.065 0.000 2.410 275 I HA 0.608 4.777 4.170 -0.002 0.000 0.286 275 I C 0.588 176.613 176.117 -0.153 0.000 1.009 275 I CA -0.926 60.322 61.300 -0.087 0.000 1.111 275 I CB 2.007 39.959 38.000 -0.080 0.000 1.262 275 I HN 0.684 nan 8.210 nan 0.000 0.443 276 A N 5.631 128.350 122.820 -0.169 0.000 2.309 276 A HA 0.699 5.017 4.320 -0.002 0.000 0.298 276 A C -0.364 177.057 177.584 -0.273 0.000 1.165 276 A CA -0.231 51.615 52.037 -0.318 0.000 0.821 276 A CB 1.066 19.902 19.000 -0.272 0.000 1.102 276 A HN 0.812 nan 8.150 nan 0.000 0.500 277 E N 1.591 121.554 120.200 -0.395 0.000 2.408 277 E HA 0.642 4.991 4.350 -0.002 0.000 0.275 277 E C -2.078 174.449 176.600 -0.122 0.000 0.935 277 E CA -0.664 55.617 56.400 -0.197 0.000 0.775 277 E CB 1.713 31.323 29.700 -0.150 0.000 1.277 277 E HN 0.614 nan 8.360 nan 0.000 0.455 278 L N 4.524 125.769 121.223 0.037 0.000 2.372 278 L HA 0.481 4.820 4.340 -0.002 0.000 0.273 278 L C -0.175 176.737 176.870 0.071 0.000 0.989 278 L CA -0.237 54.688 54.840 0.141 0.000 0.841 278 L CB 0.488 42.667 42.059 0.200 0.000 1.225 278 L HN 0.946 nan 8.230 nan 0.000 0.414 279 N N 2.414 121.151 118.700 0.061 0.000 1.161 279 N HA -0.294 4.445 4.740 -0.002 0.000 0.111 279 N C 0.842 176.362 175.510 0.016 0.000 0.779 279 N CA 1.356 54.428 53.050 0.037 0.000 0.845 279 N CB -0.680 37.831 38.487 0.041 0.000 1.034 279 N HN 0.803 nan 8.380 nan 0.000 0.629 280 G N -0.415 108.394 108.800 0.015 0.000 2.880 280 G HA2 -0.036 3.923 3.960 -0.002 0.000 0.209 280 G HA3 -0.036 3.923 3.960 -0.002 0.000 0.209 280 G C 1.039 175.947 174.900 0.014 0.000 1.157 280 G CA 0.681 45.786 45.100 0.009 0.000 0.779 280 G HN 0.521 nan 8.290 nan 0.000 0.539 281 E N -0.033 120.182 120.200 0.024 0.000 2.187 281 E HA 0.168 4.517 4.350 -0.002 0.000 0.199 281 E C 1.474 178.091 176.600 0.028 0.000 1.004 281 E CA 1.276 57.695 56.400 0.031 0.000 0.813 281 E CB -0.085 29.643 29.700 0.047 0.000 0.736 281 E HN 0.563 nan 8.360 nan 0.000 0.468 282 G N -0.557 108.255 108.800 0.021 0.000 2.353 282 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.615 282 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.615 282 G C -1.236 173.667 174.900 0.005 0.000 1.280 282 G CA -0.421 44.685 45.100 0.010 0.000 1.000 282 G HN 0.152 nan 8.290 nan 0.000 0.516 283 E N -0.964 119.233 120.200 -0.006 0.000 2.415 283 E HA 0.439 4.788 4.350 -0.002 0.000 0.263 283 E C -0.284 176.322 176.600 0.010 0.000 0.995 283 E CA 0.049 56.440 56.400 -0.015 0.000 0.915 283 E CB 0.661 30.350 29.700 -0.018 0.000 0.951 283 E HN 0.756 nan 8.360 nan 0.000 0.449 284 V N 3.284 123.204 119.914 0.011 0.000 2.817 284 V HA 0.447 4.565 4.120 -0.002 0.000 0.303 284 V C -0.614 175.513 176.094 0.055 0.000 1.151 284 V CA -0.770 61.562 62.300 0.053 0.000 0.929 284 V CB 1.803 33.685 31.823 0.098 0.000 1.030 284 V HN 0.827 nan 8.190 nan 0.000 0.427 285 A N 2.951 125.806 122.820 0.059 0.000 2.327 285 A HA 0.963 5.281 4.320 -0.002 0.000 0.283 285 A C 0.435 178.059 177.584 0.067 0.000 1.127 285 A CA 0.462 52.528 52.037 0.049 0.000 0.810 285 A CB 1.114 20.137 19.000 0.038 0.000 1.066 285 A HN 1.441 nan 8.150 nan 0.000 0.492 286 G N -0.449 108.374 108.800 0.039 0.000 2.788 286 G HA2 0.696 4.654 3.960 -0.002 0.000 0.293 286 G HA3 0.696 4.654 3.960 -0.002 0.000 0.293 286 G C -0.463 174.260 174.900 -0.294 0.000 1.392 286 G CA -0.137 44.886 45.100 -0.128 0.000 0.810 286 G HN 1.378 nan 8.290 nan 0.000 0.508 287 G N -1.323 106.988 108.800 -0.814 0.000 2.591 287 G HA2 0.675 4.634 3.960 -0.002 0.000 0.306 287 G HA3 0.675 4.634 3.960 -0.002 0.000 0.306 287 G C -0.963 173.614 174.900 -0.538 0.000 1.334 287 G CA -0.217 44.541 45.100 -0.571 0.000 0.981 287 G HN 1.483 nan 8.290 nan 0.000 0.491 288 V N 1.990 121.737 119.914 -0.278 0.000 2.539 288 V HA 0.756 4.874 4.120 -0.002 0.000 0.292 288 V C -0.367 175.591 176.094 -0.227 0.000 1.045 288 V CA -0.494 61.660 62.300 -0.243 0.000 0.945 288 V CB 1.396 33.003 31.823 -0.359 0.000 0.993 288 V HN 0.531 nan 8.190 nan 0.000 0.464 289 V N 7.335 127.196 119.914 -0.088 0.000 2.481 289 V HA 0.538 4.657 4.120 -0.002 0.000 0.286 289 V C 0.152 176.155 176.094 -0.151 0.000 1.042 289 V CA -0.403 61.869 62.300 -0.046 0.000 0.928 289 V CB 1.442 33.348 31.823 0.140 0.000 0.986 289 V HN 0.811 nan 8.190 nan 0.000 0.462 290 I N 4.589 125.052 120.570 -0.179 0.000 2.498 290 I HA 0.356 4.524 4.170 -0.002 0.000 0.290 290 I C -0.842 175.231 176.117 -0.073 0.000 1.032 290 I CA -0.655 60.526 61.300 -0.199 0.000 1.073 290 I CB 2.056 39.847 38.000 -0.348 0.000 1.251 290 I HN 0.342 nan 8.210 nan 0.000 0.426 291 L N 6.968 128.182 121.223 -0.015 0.000 2.259 291 L HA 0.338 4.677 4.340 -0.002 0.000 0.288 291 L C 0.394 177.272 176.870 0.014 0.000 1.051 291 L CA -0.372 54.475 54.840 0.012 0.000 0.824 291 L CB 0.734 42.817 42.059 0.041 0.000 1.206 291 L HN 0.713 nan 8.230 nan 0.000 0.429 292 R N 3.719 124.225 120.500 0.010 0.000 2.501 292 R HA -0.069 4.269 4.340 -0.002 0.000 0.319 292 R C -0.003 176.316 176.300 0.033 0.000 0.913 292 R CA 0.277 56.393 56.100 0.027 0.000 1.104 292 R CB 0.154 30.481 30.300 0.045 0.000 0.901 292 R HN 0.776 nan 8.270 nan 0.000 0.407 293 S N 2.740 118.451 115.700 0.017 0.000 3.116 293 S HA -0.103 4.366 4.470 -0.002 0.000 0.373 293 S C 0.641 175.252 174.600 0.019 0.000 1.193 293 S CA 1.425 59.629 58.200 0.006 0.000 0.972 293 S CB 0.007 63.183 63.200 -0.039 0.000 0.671 293 S HN 0.896 nan 8.310 nan 0.000 0.488 294 G N 3.437 112.247 108.800 0.017 0.000 2.354 294 G HA2 -0.241 3.717 3.960 -0.002 0.000 0.278 294 G HA3 -0.241 3.717 3.960 -0.002 0.000 0.278 294 G C -0.497 174.416 174.900 0.021 0.000 0.953 294 G CA 0.347 45.457 45.100 0.017 0.000 1.346 294 G HN 0.688 nan 8.290 nan 0.000 0.467 295 K N 0.459 120.872 120.400 0.023 0.000 2.571 295 K HA 0.171 4.490 4.320 -0.002 0.000 0.252 295 K C -0.057 176.553 176.600 0.018 0.000 0.956 295 K CA -1.072 55.227 56.287 0.019 0.000 0.822 295 K CB 1.101 33.612 32.500 0.018 0.000 1.286 295 K HN 0.427 nan 8.250 nan 0.000 0.439 296 N N 2.217 120.925 118.700 0.013 0.000 2.211 296 N HA -0.185 4.554 4.740 -0.002 0.000 0.283 296 N C 0.731 176.247 175.510 0.009 0.000 1.393 296 N CA 0.787 53.842 53.050 0.008 0.000 0.954 296 N CB 0.264 38.750 38.487 -0.002 0.000 1.349 296 N HN 0.706 nan 8.380 nan 0.000 0.491 297 A N 3.349 126.182 122.820 0.022 0.000 1.892 297 A HA -0.293 4.026 4.320 -0.002 0.000 0.218 297 A C 2.229 179.822 177.584 0.014 0.000 1.188 297 A CA 1.597 53.653 52.037 0.032 0.000 0.631 297 A CB -0.497 18.539 19.000 0.060 0.000 0.822 297 A HN 0.679 nan 8.150 nan 0.000 0.447 298 R N 0.217 120.720 120.500 0.005 0.000 2.112 298 R HA -0.239 4.100 4.340 -0.002 0.000 0.242 298 R C 2.044 178.325 176.300 -0.031 0.000 1.137 298 R CA 2.529 58.621 56.100 -0.014 0.000 0.944 298 R CB -0.638 29.651 30.300 -0.018 0.000 0.857 298 R HN 0.570 nan 8.270 nan 0.000 0.435 299 E N 0.282 120.465 120.200 -0.027 0.000 2.051 299 E HA -0.112 4.237 4.350 -0.002 0.000 0.192 299 E C 2.094 178.667 176.600 -0.045 0.000 0.991 299 E CA 1.863 58.243 56.400 -0.034 0.000 0.799 299 E CB -0.554 29.131 29.700 -0.024 0.000 0.748 299 E HN 0.166 nan 8.360 nan 0.000 0.449 300 V N 1.011 120.904 119.914 -0.035 0.000 2.287 300 V HA -0.284 3.835 4.120 -0.002 0.000 0.248 300 V C 2.503 178.548 176.094 -0.082 0.000 1.053 300 V CA 2.106 64.380 62.300 -0.043 0.000 1.027 300 V CB -0.529 31.283 31.823 -0.019 0.000 0.646 300 V HN 0.330 nan 8.190 nan 0.000 0.447 301 I N 0.471 120.986 120.570 -0.092 0.000 2.179 301 I HA -0.237 3.932 4.170 -0.002 0.000 0.242 301 I C 2.724 178.697 176.117 -0.240 0.000 1.088 301 I CA 1.515 62.695 61.300 -0.199 0.000 1.357 301 I CB -0.881 37.027 38.000 -0.154 0.000 1.051 301 I HN 0.278 nan 8.210 nan 0.000 0.409 302 A N 1.207 123.938 122.820 -0.149 0.000 1.903 302 A HA -0.271 4.048 4.320 -0.002 0.000 0.219 302 A C 2.590 180.098 177.584 -0.127 0.000 1.191 302 A CA 2.444 54.405 52.037 -0.127 0.000 0.638 302 A CB -1.031 17.920 19.000 -0.081 0.000 0.823 302 A HN 0.477 nan 8.150 nan 0.000 0.451 303 A N -0.824 121.930 122.820 -0.110 0.000 1.908 303 A HA -0.022 4.297 4.320 -0.002 0.000 0.218 303 A C 2.257 179.767 177.584 -0.124 0.000 1.181 303 A CA 1.911 53.890 52.037 -0.096 0.000 0.627 303 A CB -0.978 17.977 19.000 -0.074 0.000 0.818 303 A HN 0.455 nan 8.150 nan 0.000 0.445 304 V N 0.270 120.080 119.914 -0.174 0.000 2.343 304 V HA -0.267 3.852 4.120 -0.002 0.000 0.247 304 V C 2.368 178.317 176.094 -0.240 0.000 1.051 304 V CA 2.324 64.499 62.300 -0.209 0.000 1.036 304 V CB -0.679 30.982 31.823 -0.270 0.000 0.654 304 V HN 0.566 nan 8.190 nan 0.000 0.451 305 K N -0.278 119.938 120.400 -0.307 0.000 2.209 305 K HA -0.191 4.128 4.320 -0.002 0.000 0.204 305 K C 1.819 178.347 176.600 -0.120 0.000 1.048 305 K CA 1.389 57.540 56.287 -0.228 0.000 0.940 305 K CB -0.214 32.152 32.500 -0.223 0.000 0.729 305 K HN 0.378 nan 8.250 nan 0.000 0.451 306 D N 1.100 121.434 120.400 -0.110 0.000 2.249 306 D HA -0.088 4.551 4.640 -0.002 0.000 0.205 306 D C 1.752 178.015 176.300 -0.061 0.000 0.962 306 D CA 0.958 54.916 54.000 -0.071 0.000 0.860 306 D CB 0.314 41.076 40.800 -0.063 0.000 0.955 306 D HN -0.083 nan 8.370 nan 0.000 0.505 307 K N -0.027 120.326 120.400 -0.078 0.000 2.076 307 K HA 0.099 4.418 4.320 -0.002 0.000 0.204 307 K C 2.223 178.786 176.600 -0.062 0.000 1.051 307 K CA 0.676 56.921 56.287 -0.069 0.000 0.949 307 K CB -0.288 32.160 32.500 -0.087 0.000 0.726 307 K HN 0.117 nan 8.250 nan 0.000 0.443 308 L N 0.604 121.779 121.223 -0.079 0.000 2.093 308 L HA -0.122 4.217 4.340 -0.002 0.000 0.208 308 L C 2.310 179.164 176.870 -0.027 0.000 1.085 308 L CA 1.004 55.803 54.840 -0.069 0.000 0.755 308 L CB -0.462 41.546 42.059 -0.086 0.000 0.904 308 L HN 0.243 nan 8.230 nan 0.000 0.435 309 E N 0.173 120.358 120.200 -0.025 0.000 2.085 309 E HA -0.179 4.170 4.350 -0.002 0.000 0.194 309 E C 2.152 178.753 176.600 0.002 0.000 0.994 309 E CA 1.902 58.297 56.400 -0.008 0.000 0.801 309 E CB -0.217 29.475 29.700 -0.013 0.000 0.743 309 E HN 0.457 nan 8.360 nan 0.000 0.453 310 T N 1.371 115.924 114.554 -0.001 0.000 2.821 310 T HA -0.033 4.316 4.350 -0.002 0.000 0.267 310 T C 2.095 176.817 174.700 0.037 0.000 1.046 310 T CA 0.648 62.755 62.100 0.013 0.000 1.139 310 T CB -0.079 68.792 68.868 0.005 0.000 0.871 310 T HN 0.109 nan 8.240 nan 0.000 0.454 311 L N 0.595 121.846 121.223 0.047 0.000 2.109 311 L HA 0.003 4.342 4.340 -0.002 0.000 0.207 311 L C 2.583 179.517 176.870 0.108 0.000 1.086 311 L CA 1.114 56.023 54.840 0.115 0.000 0.760 311 L CB -0.576 41.557 42.059 0.124 0.000 0.910 311 L HN 0.211 nan 8.230 nan 0.000 0.437 312 K N 0.161 120.598 120.400 0.062 0.000 2.293 312 K HA -0.180 4.139 4.320 -0.002 0.000 0.204 312 K C 2.183 178.805 176.600 0.036 0.000 1.045 312 K CA 1.563 57.877 56.287 0.046 0.000 0.933 312 K CB -0.221 32.297 32.500 0.031 0.000 0.736 312 K HN 0.280 nan 8.250 nan 0.000 0.463 313 S N 0.685 116.408 115.700 0.039 0.000 2.368 313 S HA -0.089 4.379 4.470 -0.002 0.000 0.225 313 S C 1.922 176.534 174.600 0.020 0.000 1.030 313 S CA 1.435 59.652 58.200 0.028 0.000 0.999 313 S CB -0.015 63.203 63.200 0.031 0.000 0.844 313 S HN 0.243 nan 8.310 nan 0.000 0.459 314 S N 0.818 116.537 115.700 0.031 0.000 2.528 314 S HA 0.286 4.754 4.470 -0.002 0.000 0.219 314 S C 0.614 175.155 174.600 -0.098 0.000 0.985 314 S CA -0.112 58.077 58.200 -0.018 0.000 0.914 314 S CB -0.189 63.024 63.200 0.021 0.000 0.776 314 S HN 0.321 nan 8.310 nan 0.000 0.526 315 L N 2.417 123.611 121.223 -0.049 0.000 2.499 315 L HA 0.109 4.448 4.340 -0.002 0.000 0.281 315 L C -1.912 174.908 176.870 -0.083 0.000 1.234 315 L CA -1.383 53.409 54.840 -0.080 0.000 0.839 315 L CB -0.055 41.999 42.059 -0.009 0.000 1.104 315 L HN 0.052 nan 8.230 nan 0.000 0.500 316 P HA 0.082 nan 4.420 nan 0.000 0.288 316 P C -0.989 176.336 177.300 0.041 0.000 1.291 316 P CA -0.489 62.583 63.100 -0.047 0.000 0.766 316 P CB 0.430 31.980 31.700 -0.250 0.000 1.242 317 E N -0.457 119.831 120.200 0.146 0.000 2.289 317 E HA 0.439 4.788 4.350 -0.002 0.000 0.278 317 E C 0.674 177.363 176.600 0.148 0.000 1.032 317 E CA 0.596 57.065 56.400 0.115 0.000 0.854 317 E CB -0.402 29.347 29.700 0.082 0.000 1.046 317 E HN 0.674 nan 8.360 nan 0.000 0.409 318 G N 1.993 110.847 108.800 0.089 0.000 2.298 318 G HA2 -0.113 3.845 3.960 -0.002 0.000 0.287 318 G HA3 -0.113 3.845 3.960 -0.002 0.000 0.287 318 G C -0.235 174.721 174.900 0.092 0.000 1.075 318 G CA 0.369 45.519 45.100 0.083 0.000 0.960 318 G HN 0.857 nan 8.290 nan 0.000 0.502 319 V N -3.987 115.966 119.914 0.065 0.000 2.969 319 V HA 0.956 5.075 4.120 -0.002 0.000 0.304 319 V C -0.590 175.528 176.094 0.040 0.000 1.192 319 V CA -1.197 61.131 62.300 0.047 0.000 0.962 319 V CB 1.990 33.813 31.823 -0.001 0.000 1.045 319 V HN 0.460 nan 8.190 nan 0.000 0.428 320 E N 3.707 123.938 120.200 0.052 0.000 2.446 320 E HA 0.641 4.990 4.350 -0.002 0.000 0.276 320 E C -1.390 175.254 176.600 0.074 0.000 0.969 320 E CA -1.003 55.430 56.400 0.054 0.000 0.800 320 E CB 2.710 32.439 29.700 0.048 0.000 1.341 320 E HN 0.691 nan 8.360 nan 0.000 0.460 321 I N 2.375 122.984 120.570 0.066 0.000 2.347 321 I HA 0.177 4.346 4.170 -0.002 0.000 0.283 321 I C 0.116 176.275 176.117 0.070 0.000 1.058 321 I CA -0.676 60.675 61.300 0.084 0.000 1.202 321 I CB 0.240 38.242 38.000 0.003 0.000 1.386 321 I HN 0.304 nan 8.210 nan 0.000 0.475 322 V N 4.819 124.776 119.914 0.072 0.000 2.530 322 V HA 0.418 4.536 4.120 -0.002 0.000 0.282 322 V C 0.735 176.819 176.094 -0.017 0.000 1.048 322 V CA -0.137 62.180 62.300 0.028 0.000 0.997 322 V CB 1.347 33.181 31.823 0.018 0.000 0.987 322 V HN 0.871 nan 8.190 nan 0.000 0.477 323 T N 2.274 116.804 114.554 -0.040 0.000 2.814 323 T HA 0.232 4.581 4.350 -0.002 0.000 0.297 323 T C 0.748 175.337 174.700 -0.184 0.000 0.956 323 T CA 0.472 62.477 62.100 -0.159 0.000 1.123 323 T CB 0.950 69.770 68.868 -0.080 0.000 0.902 323 T HN 0.869 nan 8.240 nan 0.000 0.528 324 T N 2.972 117.336 114.554 -0.316 0.000 3.057 324 T HA 0.199 4.548 4.350 -0.002 0.000 0.254 324 T C -0.706 173.955 174.700 -0.064 0.000 1.094 324 T CA 0.275 62.181 62.100 -0.324 0.000 1.088 324 T CB -0.413 67.908 68.868 -0.912 0.000 0.934 324 T HN 0.789 nan 8.240 nan 0.000 0.497 325 Y N 0.528 120.691 120.300 -0.228 0.000 2.522 325 Y HA 0.393 4.942 4.550 -0.002 0.000 0.326 325 Y C -2.375 173.499 175.900 -0.043 0.000 1.198 325 Y CA -1.345 56.703 58.100 -0.087 0.000 1.112 325 Y CB 1.393 39.831 38.460 -0.037 0.000 1.342 325 Y HN -0.044 nan 8.280 nan 0.000 0.460 326 D N 4.293 124.552 120.400 -0.235 0.000 2.472 326 D HA 0.202 4.841 4.640 -0.002 0.000 0.248 326 D C 0.697 176.925 176.300 -0.120 0.000 1.271 326 D CA -0.431 53.627 54.000 0.096 0.000 0.888 326 D CB 0.817 41.732 40.800 0.192 0.000 1.337 326 D HN 0.628 nan 8.370 nan 0.000 0.526 327 R N 1.582 122.097 120.500 0.026 0.000 2.208 327 R HA -0.261 4.078 4.340 -0.002 0.000 0.262 327 R C 1.649 177.965 176.300 0.027 0.000 1.166 327 R CA 2.444 58.594 56.100 0.083 0.000 0.987 327 R CB -0.781 29.715 30.300 0.327 0.000 0.887 327 R HN 0.322 nan 8.270 nan 0.000 0.459 328 S N -0.420 115.312 115.700 0.052 0.000 2.381 328 S HA -0.322 4.147 4.470 -0.002 0.000 0.230 328 S C 1.880 176.477 174.600 -0.005 0.000 1.052 328 S CA 1.980 60.193 58.200 0.021 0.000 1.068 328 S CB -0.288 62.917 63.200 0.010 0.000 0.918 328 S HN 0.676 nan 8.310 nan 0.000 0.448 329 Q N -0.332 119.452 119.800 -0.027 0.000 2.061 329 Q HA -0.130 4.208 4.340 -0.002 0.000 0.204 329 Q C 2.243 178.229 176.000 -0.025 0.000 0.984 329 Q CA 1.685 57.470 55.803 -0.030 0.000 0.846 329 Q CB -0.354 28.357 28.738 -0.045 0.000 0.902 329 Q HN 0.530 nan 8.270 nan 0.000 0.421 330 L N 0.772 121.975 121.223 -0.032 0.000 2.042 330 L HA -0.202 4.137 4.340 -0.002 0.000 0.210 330 L C 1.924 178.797 176.870 0.005 0.000 1.076 330 L CA 1.553 56.387 54.840 -0.009 0.000 0.749 330 L CB -0.670 41.389 42.059 0.000 0.000 0.893 330 L HN 0.212 nan 8.230 nan 0.000 0.432 331 I N 0.180 120.755 120.570 0.009 0.000 2.113 331 I HA -0.342 3.827 4.170 -0.002 0.000 0.242 331 I C 2.290 178.408 176.117 0.001 0.000 1.064 331 I CA 1.595 62.901 61.300 0.010 0.000 1.320 331 I CB -1.539 36.468 38.000 0.012 0.000 1.028 331 I HN 0.333 nan 8.210 nan 0.000 0.406 332 D N 0.718 121.115 120.400 -0.005 0.000 2.106 332 D HA -0.188 4.451 4.640 -0.002 0.000 0.194 332 D C 2.250 178.548 176.300 -0.004 0.000 0.988 332 D CA 1.315 55.310 54.000 -0.008 0.000 0.845 332 D CB -0.493 40.300 40.800 -0.011 0.000 0.990 332 D HN 0.264 nan 8.370 nan 0.000 0.448 333 R N 0.720 121.218 120.500 -0.004 0.000 2.174 333 R HA -0.188 4.151 4.340 -0.002 0.000 0.253 333 R C 2.197 178.500 176.300 0.004 0.000 1.165 333 R CA 1.507 57.607 56.100 -0.000 0.000 0.984 333 R CB -0.333 29.966 30.300 -0.001 0.000 0.873 333 R HN 0.176 nan 8.270 nan 0.000 0.456 334 A N 0.719 123.543 122.820 0.006 0.000 1.854 334 A HA -0.111 4.207 4.320 -0.002 0.000 0.214 334 A C 2.019 179.609 177.584 0.010 0.000 1.192 334 A CA 1.027 53.071 52.037 0.011 0.000 0.611 334 A CB -0.292 18.718 19.000 0.016 0.000 0.832 334 A HN 0.092 nan 8.150 nan 0.000 0.442 335 I N 1.421 121.994 120.570 0.005 0.000 2.127 335 I HA -0.263 3.906 4.170 -0.002 0.000 0.241 335 I C 1.883 178.001 176.117 0.001 0.000 1.075 335 I CA 2.206 63.507 61.300 0.001 0.000 1.334 335 I CB -0.739 37.255 38.000 -0.011 0.000 1.040 335 I HN 0.498 nan 8.210 nan 0.000 0.405 336 D N -0.468 119.931 120.400 -0.002 0.000 2.123 336 D HA -0.245 4.394 4.640 -0.002 0.000 0.196 336 D C 1.853 178.156 176.300 0.004 0.000 0.992 336 D CA 1.512 55.511 54.000 -0.002 0.000 0.833 336 D CB -0.642 40.156 40.800 -0.003 0.000 0.954 336 D HN 0.489 nan 8.370 nan 0.000 0.455 337 N N 0.325 119.029 118.700 0.007 0.000 2.069 337 N HA -0.142 4.597 4.740 -0.002 0.000 0.191 337 N C 1.585 177.104 175.510 0.015 0.000 1.031 337 N CA 1.033 54.090 53.050 0.011 0.000 0.852 337 N CB -0.134 38.360 38.487 0.011 0.000 1.018 337 N HN 0.150 nan 8.380 nan 0.000 0.423 338 L N -0.616 120.617 121.223 0.017 0.000 2.209 338 L HA 0.082 4.421 4.340 -0.002 0.000 0.207 338 L C 2.309 179.192 176.870 0.022 0.000 1.094 338 L CA 0.348 55.201 54.840 0.022 0.000 0.790 338 L CB -0.292 41.784 42.059 0.028 0.000 0.932 338 L HN 0.227 nan 8.230 nan 0.000 0.447 339 S N 0.238 115.947 115.700 0.016 0.000 2.382 339 S HA -0.116 4.353 4.470 -0.002 0.000 0.228 339 S C 1.976 176.580 174.600 0.005 0.000 1.027 339 S CA 1.355 59.560 58.200 0.008 0.000 0.991 339 S CB -0.329 62.869 63.200 -0.002 0.000 0.823 339 S HN 0.597 nan 8.310 nan 0.000 0.469 340 G N 1.815 110.621 108.800 0.010 0.000 2.421 340 G HA2 -0.172 3.787 3.960 -0.002 0.000 0.217 340 G HA3 -0.172 3.787 3.960 -0.002 0.000 0.217 340 G C 1.397 176.313 174.900 0.027 0.000 1.143 340 G CA 0.603 45.712 45.100 0.016 0.000 0.784 340 G HN 0.346 nan 8.290 nan 0.000 0.541 341 K N 0.677 121.093 120.400 0.027 0.000 2.002 341 K HA 0.017 4.336 4.320 -0.002 0.000 0.209 341 K C 2.473 179.098 176.600 0.042 0.000 1.048 341 K CA 0.992 57.298 56.287 0.033 0.000 0.930 341 K CB -0.659 31.857 32.500 0.026 0.000 0.714 341 K HN 0.347 nan 8.250 nan 0.000 0.438 342 L N 1.483 122.727 121.223 0.034 0.000 2.042 342 L HA -0.237 4.102 4.340 -0.002 0.000 0.210 342 L C 2.633 179.550 176.870 0.079 0.000 1.076 342 L CA 1.212 56.075 54.840 0.039 0.000 0.749 342 L CB -0.651 41.415 42.059 0.012 0.000 0.893 342 L HN 0.270 nan 8.230 nan 0.000 0.432 343 L N -0.493 120.762 121.223 0.054 0.000 1.971 343 L HA -0.247 4.091 4.340 -0.002 0.000 0.215 343 L C 2.411 179.441 176.870 0.267 0.000 1.072 343 L CA 2.189 57.104 54.840 0.125 0.000 0.758 343 L CB -1.489 40.599 42.059 0.050 0.000 0.889 343 L HN 0.324 nan 8.230 nan 0.000 0.433 344 E N -0.164 120.119 120.200 0.138 0.000 2.171 344 E HA -0.321 4.027 4.350 -0.002 0.000 0.197 344 E C 2.010 178.663 176.600 0.087 0.000 0.997 344 E CA 1.709 58.170 56.400 0.101 0.000 0.810 344 E CB -0.040 29.696 29.700 0.060 0.000 0.738 344 E HN 0.780 nan 8.360 nan 0.000 0.467 345 E N -0.007 120.255 120.200 0.103 0.000 2.076 345 E HA -0.123 4.226 4.350 -0.002 0.000 0.190 345 E C 1.962 178.616 176.600 0.090 0.000 0.979 345 E CA 1.309 57.750 56.400 0.070 0.000 0.807 345 E CB -0.716 29.017 29.700 0.056 0.000 0.761 345 E HN 0.390 nan 8.360 nan 0.000 0.454 346 F N 1.339 121.271 119.950 -0.030 0.000 2.146 346 F HA -0.044 4.481 4.527 -0.002 0.000 0.298 346 F C 1.982 177.763 175.800 -0.033 0.000 1.096 346 F CA 1.353 59.332 58.000 -0.034 0.000 1.275 346 F CB -0.663 38.320 39.000 -0.028 0.000 1.008 346 F HN 0.157 nan 8.300 nan 0.000 0.480 347 I N 0.490 120.710 120.570 -0.583 0.000 2.315 347 I HA -0.133 4.036 4.170 -0.002 0.000 0.248 347 I C 1.936 177.861 176.117 -0.319 0.000 1.117 347 I CA 1.459 62.355 61.300 -0.674 0.000 1.404 347 I CB -0.874 36.973 38.000 -0.256 0.000 1.071 347 I HN 0.163 nan 8.210 nan 0.000 0.419 348 V N 1.334 121.152 119.914 -0.160 0.000 2.343 348 V HA -0.233 3.886 4.120 -0.002 0.000 0.247 348 V C 2.861 178.875 176.094 -0.135 0.000 1.051 348 V CA 1.706 63.940 62.300 -0.111 0.000 1.036 348 V CB -0.473 31.315 31.823 -0.058 0.000 0.654 348 V HN 0.338 nan 8.190 nan 0.000 0.451 349 V N 0.251 120.080 119.914 -0.141 0.000 2.252 349 V HA -0.333 3.785 4.120 -0.002 0.000 0.249 349 V C 2.692 178.679 176.094 -0.178 0.000 1.056 349 V CA 2.387 64.601 62.300 -0.143 0.000 1.022 349 V CB -1.117 30.640 31.823 -0.110 0.000 0.641 349 V HN 0.590 nan 8.190 nan 0.000 0.445 350 A N -0.825 121.837 122.820 -0.264 0.000 1.902 350 A HA -0.167 4.152 4.320 -0.002 0.000 0.217 350 A C 2.411 179.882 177.584 -0.189 0.000 1.181 350 A CA 1.995 53.873 52.037 -0.266 0.000 0.623 350 A CB -0.742 17.993 19.000 -0.441 0.000 0.818 350 A HN 0.312 nan 8.150 nan 0.000 0.443 351 V N -0.414 119.389 119.914 -0.184 0.000 2.287 351 V HA -0.254 3.865 4.120 -0.002 0.000 0.248 351 V C 2.613 178.667 176.094 -0.068 0.000 1.053 351 V CA 2.162 64.393 62.300 -0.115 0.000 1.027 351 V CB -0.522 31.243 31.823 -0.098 0.000 0.646 351 V HN 0.385 nan 8.190 nan 0.000 0.447 352 V N -0.654 119.209 119.914 -0.085 0.000 2.295 352 V HA -0.320 3.799 4.120 -0.002 0.000 0.246 352 V C 2.606 178.671 176.094 -0.048 0.000 1.049 352 V CA 2.260 64.514 62.300 -0.077 0.000 1.024 352 V CB -0.701 31.031 31.823 -0.152 0.000 0.648 352 V HN 0.862 nan 8.190 nan 0.000 0.447 353 C N 0.812 120.065 119.300 -0.078 0.000 2.393 353 C HA -0.192 4.267 4.460 -0.002 0.000 0.276 353 C C 3.069 178.083 174.990 0.041 0.000 1.215 353 C CA 1.128 60.122 59.018 -0.039 0.000 1.743 353 C CB -1.370 26.318 27.740 -0.087 0.000 2.044 353 C HN 0.577 nan 8.230 nan 0.000 0.464 354 A N 0.916 123.737 122.820 0.003 0.000 1.927 354 A HA -0.121 4.198 4.320 -0.002 0.000 0.220 354 A C 2.309 179.966 177.584 0.121 0.000 1.185 354 A CA 2.245 54.298 52.037 0.027 0.000 0.639 354 A CB -0.837 18.139 19.000 -0.040 0.000 0.820 354 A HN 0.762 nan 8.150 nan 0.000 0.451 355 L N -2.833 118.490 121.223 0.167 0.000 2.141 355 L HA -0.074 4.265 4.340 -0.002 0.000 0.209 355 L C 2.111 179.222 176.870 0.403 0.000 1.094 355 L CA 0.987 56.013 54.840 0.309 0.000 0.763 355 L CB -0.485 41.754 42.059 0.299 0.000 0.908 355 L HN 0.324 nan 8.230 nan 0.000 0.437 356 F N -0.560 119.434 119.950 0.074 0.000 2.789 356 F HA 0.075 4.600 4.527 -0.002 0.000 0.300 356 F C 1.338 177.170 175.800 0.054 0.000 1.132 356 F CA 0.517 58.536 58.000 0.033 0.000 1.404 356 F CB 0.256 39.239 39.000 -0.028 0.000 1.114 356 F HN -0.051 nan 8.300 nan 0.000 0.584 357 L N -1.701 119.663 121.223 0.235 0.000 3.333 357 L HA 0.156 4.495 4.340 -0.002 0.000 0.299 357 L C -0.025 177.069 176.870 0.374 0.000 1.256 357 L CA -0.099 54.869 54.840 0.213 0.000 1.037 357 L CB -0.111 41.965 42.059 0.028 0.000 1.423 357 L HN 0.190 nan 8.230 nan 0.000 0.605 358 W N 3.817 125.191 121.300 0.122 0.000 6.840 358 W HA -0.344 4.314 4.660 -0.002 0.000 0.413 358 W C 0.307 176.996 176.519 0.283 0.000 1.605 358 W CA 1.436 58.858 57.345 0.129 0.000 1.122 358 W CB -0.861 28.642 29.460 0.072 0.000 2.811 358 W HN 0.757 nan 8.180 nan 0.000 1.578 359 H N -2.182 116.838 119.070 -0.084 0.000 4.747 359 H HA -0.059 4.496 4.556 -0.002 0.000 0.260 359 H C -1.017 174.302 175.328 -0.015 0.000 0.537 359 H CA 0.635 56.602 56.048 -0.135 0.000 0.689 359 H CB -1.206 28.382 29.762 -0.289 0.000 0.913 359 H HN 0.638 nan 8.280 nan 0.000 0.306 360 V N 2.232 121.855 119.914 -0.485 0.000 2.934 360 V HA 0.118 4.236 4.120 -0.002 0.000 0.272 360 V C -0.031 175.915 176.094 -0.246 0.000 1.910 360 V CA -0.338 61.729 62.300 -0.388 0.000 0.906 360 V CB 1.390 33.166 31.823 -0.079 0.000 1.365 360 V HN 0.997 nan 8.190 nan 0.000 0.418 361 R N 1.247 121.659 120.500 -0.146 0.000 2.845 361 R HA 0.051 4.390 4.340 -0.002 0.000 0.220 361 R C 1.818 178.103 176.300 -0.026 0.000 1.528 361 R CA 0.758 56.827 56.100 -0.052 0.000 1.374 361 R CB -1.675 28.640 30.300 0.023 0.000 1.104 361 R HN 0.859 nan 8.270 nan 0.000 0.510 362 S N -0.209 115.447 115.700 -0.074 0.000 2.370 362 S HA -0.189 4.280 4.470 -0.002 0.000 0.226 362 S C 2.074 176.638 174.600 -0.061 0.000 1.033 362 S CA 0.934 59.086 58.200 -0.080 0.000 1.011 362 S CB -0.143 62.993 63.200 -0.106 0.000 0.852 362 S HN 0.376 nan 8.310 nan 0.000 0.457 363 A N 2.292 125.073 122.820 -0.065 0.000 1.883 363 A HA 0.013 4.331 4.320 -0.002 0.000 0.217 363 A C 2.283 179.931 177.584 0.107 0.000 1.186 363 A CA 1.667 53.689 52.037 -0.026 0.000 0.624 363 A CB -1.013 17.949 19.000 -0.063 0.000 0.822 363 A HN 0.493 nan 8.150 nan 0.000 0.444 364 L N 0.356 121.638 121.223 0.099 0.000 2.012 364 L HA -0.140 4.198 4.340 -0.002 0.000 0.210 364 L C 2.510 179.432 176.870 0.085 0.000 1.073 364 L CA 2.138 57.079 54.840 0.167 0.000 0.748 364 L CB -1.151 41.063 42.059 0.259 0.000 0.891 364 L HN 0.224 nan 8.230 nan 0.000 0.431 365 V N 0.081 119.983 119.914 -0.020 0.000 2.568 365 V HA -0.287 3.832 4.120 -0.002 0.000 0.253 365 V C 2.776 178.818 176.094 -0.087 0.000 1.072 365 V CA 1.455 63.660 62.300 -0.158 0.000 1.084 365 V CB -1.402 30.335 31.823 -0.143 0.000 0.676 365 V HN 0.583 nan 8.190 nan 0.000 0.469 366 A N -0.265 122.555 122.820 0.000 0.000 1.874 366 A HA -0.071 4.248 4.320 -0.002 0.000 0.214 366 A C 2.239 179.876 177.584 0.088 0.000 1.189 366 A CA 1.224 53.293 52.037 0.053 0.000 0.615 366 A CB -0.455 18.610 19.000 0.110 0.000 0.830 366 A HN 0.342 nan 8.150 nan 0.000 0.443 367 I N 0.386 121.035 120.570 0.132 0.000 2.264 367 I HA -0.204 3.964 4.170 -0.002 0.000 0.248 367 I C 2.234 178.364 176.117 0.022 0.000 1.111 367 I CA 1.353 62.692 61.300 0.065 0.000 1.382 367 I CB -0.431 37.613 38.000 0.072 0.000 1.060 367 I HN 0.410 nan 8.210 nan 0.000 0.418 368 I N 0.197 120.766 120.570 -0.001 0.000 2.233 368 I HA -0.242 3.927 4.170 -0.002 0.000 0.243 368 I C 2.677 178.758 176.117 -0.059 0.000 1.093 368 I CA 1.947 63.220 61.300 -0.044 0.000 1.380 368 I CB -0.535 37.370 38.000 -0.157 0.000 1.067 368 I HN 0.302 nan 8.210 nan 0.000 0.413 369 S N 0.762 116.420 115.700 -0.070 0.000 2.368 369 S HA -0.142 4.327 4.470 -0.002 0.000 0.225 369 S C 2.028 176.598 174.600 -0.050 0.000 1.030 369 S CA 1.343 59.503 58.200 -0.068 0.000 0.999 369 S CB -0.369 62.789 63.200 -0.071 0.000 0.844 369 S HN 0.551 nan 8.310 nan 0.000 0.459 370 L N 0.339 121.541 121.223 -0.035 0.000 2.445 370 L HA 0.261 4.599 4.340 -0.002 0.000 0.207 370 L C -1.027 175.810 176.870 -0.054 0.000 1.053 370 L CA -0.111 54.703 54.840 -0.043 0.000 0.841 370 L CB -0.510 41.532 42.059 -0.028 0.000 1.074 370 L HN 0.185 nan 8.230 nan 0.000 0.479 371 P HA -0.199 nan 4.420 nan 0.000 0.216 371 P C 1.828 179.108 177.300 -0.034 0.000 1.150 371 P CA 1.495 64.569 63.100 -0.042 0.000 0.843 371 P CB 0.076 31.756 31.700 -0.033 0.000 0.787 372 L N -1.701 119.506 121.223 -0.025 0.000 2.093 372 L HA -0.055 4.284 4.340 -0.002 0.000 0.208 372 L C 2.574 179.421 176.870 -0.039 0.000 1.085 372 L CA 2.030 56.860 54.840 -0.016 0.000 0.755 372 L CB -1.811 40.238 42.059 -0.016 0.000 0.904 372 L HN 0.101 nan 8.230 nan 0.000 0.435 373 G N 0.597 109.361 108.800 -0.060 0.000 2.422 373 G HA2 -0.276 3.683 3.960 -0.002 0.000 0.218 373 G HA3 -0.276 3.683 3.960 -0.002 0.000 0.218 373 G C 1.656 176.482 174.900 -0.123 0.000 1.146 373 G CA 0.699 45.754 45.100 -0.075 0.000 0.769 373 G HN 0.267 nan 8.290 nan 0.000 0.547 374 L N 0.643 121.758 121.223 -0.179 0.000 2.017 374 L HA -0.066 4.273 4.340 -0.002 0.000 0.208 374 L C 2.763 179.358 176.870 -0.459 0.000 1.073 374 L CA 1.855 56.467 54.840 -0.379 0.000 0.745 374 L CB -0.781 41.072 42.059 -0.343 0.000 0.894 374 L HN 0.238 nan 8.230 nan 0.000 0.432 375 C N -0.106 119.104 119.300 -0.149 0.000 2.413 375 C HA -0.167 4.292 4.460 -0.002 0.000 0.276 375 C C 2.758 177.829 174.990 0.135 0.000 1.248 375 C CA 1.048 60.113 59.018 0.078 0.000 1.742 375 C CB -1.104 26.723 27.740 0.146 0.000 2.017 375 C HN 0.742 nan 8.230 nan 0.000 0.481 376 I N 1.556 122.156 120.570 0.051 0.000 2.286 376 I HA -0.157 4.011 4.170 -0.002 0.000 0.248 376 I C 2.515 178.708 176.117 0.126 0.000 1.115 376 I CA 1.900 63.251 61.300 0.085 0.000 1.392 376 I CB -0.374 37.639 38.000 0.022 0.000 1.065 376 I HN 0.248 nan 8.210 nan 0.000 0.418 377 A N 1.096 123.949 122.820 0.055 0.000 1.933 377 A HA -0.197 4.122 4.320 -0.002 0.000 0.218 377 A C 1.970 179.706 177.584 0.255 0.000 1.175 377 A CA 1.522 53.641 52.037 0.136 0.000 0.628 377 A CB -1.082 17.919 19.000 0.001 0.000 0.814 377 A HN 0.529 nan 8.150 nan 0.000 0.444 378 F N 0.120 120.171 119.950 0.168 0.000 2.171 378 F HA -0.105 4.421 4.527 -0.002 0.000 0.300 378 F C 2.122 178.015 175.800 0.156 0.000 1.090 378 F CA 0.561 58.645 58.000 0.139 0.000 1.293 378 F CB -0.812 38.242 39.000 0.091 0.000 1.013 378 F HN 0.147 nan 8.300 nan 0.000 0.486 379 I N -1.109 119.713 120.570 0.420 0.000 2.202 379 I HA -0.229 3.940 4.170 -0.002 0.000 0.242 379 I C 2.542 178.867 176.117 0.346 0.000 1.091 379 I CA 0.989 62.541 61.300 0.419 0.000 1.368 379 I CB -0.794 37.570 38.000 0.608 0.000 1.058 379 I HN -0.034 nan 8.210 nan 0.000 0.410 380 V N 2.361 122.409 119.914 0.224 0.000 2.427 380 V HA -0.277 3.842 4.120 -0.002 0.000 0.248 380 V C 2.560 178.662 176.094 0.012 0.000 1.051 380 V CA 2.157 64.464 62.300 0.012 0.000 1.048 380 V CB -0.260 31.421 31.823 -0.236 0.000 0.666 380 V HN 0.523 nan 8.190 nan 0.000 0.456 381 M N -0.910 118.799 119.600 0.182 0.000 2.149 381 M HA -0.221 4.258 4.480 -0.002 0.000 0.261 381 M C 2.112 178.558 176.300 0.244 0.000 1.064 381 M CA 2.655 58.109 55.300 0.258 0.000 1.102 381 M CB -1.187 31.628 32.600 0.359 0.000 1.369 381 M HN 0.389 nan 8.290 nan 0.000 0.408 382 H N -0.050 119.109 119.070 0.148 0.000 2.387 382 H HA -0.045 4.509 4.556 -0.002 0.000 0.299 382 H C 1.607 176.992 175.328 0.094 0.000 1.090 382 H CA 2.064 58.169 56.048 0.095 0.000 1.332 382 H CB -0.350 29.457 29.762 0.075 0.000 1.386 382 H HN 0.481 nan 8.280 nan 0.000 0.516 383 F N 1.407 121.405 119.950 0.079 0.000 2.095 383 F HA -0.213 4.313 4.527 -0.002 0.000 0.298 383 F C 2.112 177.891 175.800 -0.035 0.000 1.104 383 F CA 1.855 59.861 58.000 0.010 0.000 1.232 383 F CB -0.030 38.974 39.000 0.007 0.000 0.987 383 F HN 0.367 nan 8.300 nan 0.000 0.475 384 Q N -0.435 119.462 119.800 0.162 0.000 2.211 384 Q HA 0.365 4.704 4.340 -0.002 0.000 0.231 384 Q C 1.165 177.162 176.000 -0.005 0.000 0.865 384 Q CA 0.292 56.136 55.803 0.068 0.000 0.997 384 Q CB 0.157 28.959 28.738 0.107 0.000 1.101 384 Q HN 0.432 nan 8.270 nan 0.000 0.468 385 G N 1.931 110.706 108.800 -0.041 0.000 2.675 385 G HA2 -0.397 3.562 3.960 -0.002 0.000 0.312 385 G HA3 -0.397 3.562 3.960 -0.002 0.000 0.312 385 G C 0.059 174.952 174.900 -0.011 0.000 1.186 385 G CA 0.124 45.180 45.100 -0.073 0.000 0.965 385 G HN 0.595 nan 8.290 nan 0.000 0.548 386 L N -1.075 120.129 121.223 -0.031 0.000 0.592 386 L HA -0.178 4.161 4.340 -0.002 0.000 0.356 386 L C -0.322 176.562 176.870 0.023 0.000 0.995 386 L CA 0.630 55.460 54.840 -0.017 0.000 1.223 386 L CB -0.464 41.602 42.059 0.012 0.000 0.013 386 L HN 0.899 nan 8.230 nan 0.000 0.094 387 N N -0.024 118.691 118.700 0.025 0.000 2.361 387 N HA 0.545 5.284 4.740 -0.002 0.000 0.302 387 N C 0.099 175.645 175.510 0.060 0.000 1.074 387 N CA 0.085 53.158 53.050 0.039 0.000 0.850 387 N CB 1.762 40.264 38.487 0.025 0.000 1.228 387 N HN 0.697 nan 8.380 nan 0.000 0.491 388 A N 1.446 124.300 122.820 0.057 0.000 2.711 388 A HA 0.009 4.327 4.320 -0.002 0.000 0.242 388 A C 0.354 177.967 177.584 0.048 0.000 1.607 388 A CA -0.550 51.522 52.037 0.058 0.000 1.370 388 A CB -1.662 17.347 19.000 0.016 0.000 0.934 388 A HN 0.723 nan 8.150 nan 0.000 0.628 389 N N -0.080 118.649 118.700 0.049 0.000 2.267 389 N HA 0.049 4.788 4.740 -0.002 0.000 0.226 389 N C 0.849 176.382 175.510 0.039 0.000 1.314 389 N CA 0.268 53.342 53.050 0.040 0.000 0.887 389 N CB -0.064 38.444 38.487 0.035 0.000 1.120 389 N HN 0.381 nan 8.380 nan 0.000 0.440 390 I N -3.052 117.536 120.570 0.031 0.000 2.248 390 I HA -0.265 3.904 4.170 -0.002 0.000 0.248 390 I C 2.044 178.169 176.117 0.014 0.000 1.107 390 I CA 1.568 62.883 61.300 0.026 0.000 1.373 390 I CB -0.538 37.477 38.000 0.024 0.000 1.055 390 I HN 0.497 nan 8.210 nan 0.000 0.418 391 M N 0.472 120.067 119.600 -0.008 0.000 2.123 391 M HA -0.142 4.336 4.480 -0.002 0.000 0.263 391 M C 2.617 178.904 176.300 -0.021 0.000 1.069 391 M CA 1.912 57.177 55.300 -0.058 0.000 1.133 391 M CB -0.468 32.043 32.600 -0.149 0.000 1.356 391 M HN 0.473 nan 8.290 nan 0.000 0.415 392 S N 0.971 116.689 115.700 0.031 0.000 2.380 392 S HA -0.164 4.305 4.470 -0.002 0.000 0.229 392 S C 1.757 176.424 174.600 0.111 0.000 1.043 392 S CA 1.450 59.709 58.200 0.098 0.000 1.038 392 S CB -0.422 62.862 63.200 0.141 0.000 0.872 392 S HN 0.434 nan 8.310 nan 0.000 0.456 393 L N 0.363 121.645 121.223 0.097 0.000 2.217 393 L HA 0.121 4.459 4.340 -0.002 0.000 0.211 393 L C 2.804 179.708 176.870 0.056 0.000 1.107 393 L CA 0.938 55.842 54.840 0.107 0.000 0.783 393 L CB -0.974 41.136 42.059 0.085 0.000 0.919 393 L HN 0.441 nan 8.230 nan 0.000 0.442 394 G N 0.077 108.889 108.800 0.020 0.000 2.421 394 G HA2 -0.104 3.854 3.960 -0.002 0.000 0.217 394 G HA3 -0.104 3.854 3.960 -0.002 0.000 0.217 394 G C 1.581 176.467 174.900 -0.023 0.000 1.143 394 G CA 0.648 45.744 45.100 -0.007 0.000 0.784 394 G HN 0.457 nan 8.290 nan 0.000 0.541 395 G N 1.258 110.042 108.800 -0.028 0.000 2.464 395 G HA2 0.012 3.970 3.960 -0.002 0.000 0.217 395 G HA3 0.012 3.970 3.960 -0.002 0.000 0.217 395 G C 1.714 176.577 174.900 -0.062 0.000 1.138 395 G CA 0.966 46.035 45.100 -0.051 0.000 0.793 395 G HN 0.505 nan 8.290 nan 0.000 0.539 396 I N 0.442 120.990 120.570 -0.037 0.000 2.353 396 I HA 0.164 4.333 4.170 -0.002 0.000 0.248 396 I C 2.883 178.959 176.117 -0.068 0.000 1.119 396 I CA 1.214 62.474 61.300 -0.068 0.000 1.417 396 I CB -0.672 37.278 38.000 -0.084 0.000 1.078 396 I HN 0.062 nan 8.210 nan 0.000 0.421 397 A N 1.310 124.107 122.820 -0.040 0.000 1.933 397 A HA -0.137 4.182 4.320 -0.002 0.000 0.218 397 A C 2.465 180.020 177.584 -0.048 0.000 1.175 397 A CA 1.900 53.916 52.037 -0.034 0.000 0.628 397 A CB -0.805 18.186 19.000 -0.015 0.000 0.814 397 A HN 0.549 nan 8.150 nan 0.000 0.444 398 I N -0.515 120.019 120.570 -0.059 0.000 2.333 398 I HA -0.080 4.089 4.170 -0.002 0.000 0.246 398 I C 2.544 178.606 176.117 -0.092 0.000 1.106 398 I CA 1.585 62.844 61.300 -0.070 0.000 1.411 398 I CB -1.001 36.959 38.000 -0.067 0.000 1.082 398 I HN 0.322 nan 8.210 nan 0.000 0.420 399 A N 1.048 123.799 122.820 -0.115 0.000 1.903 399 A HA -0.234 4.085 4.320 -0.002 0.000 0.219 399 A C 2.414 179.933 177.584 -0.108 0.000 1.191 399 A CA 2.422 54.378 52.037 -0.136 0.000 0.638 399 A CB -1.369 17.542 19.000 -0.150 0.000 0.823 399 A HN 0.357 nan 8.150 nan 0.000 0.451 400 V N -0.223 119.636 119.914 -0.091 0.000 2.277 400 V HA -0.341 3.778 4.120 -0.002 0.000 0.253 400 V C 2.783 178.835 176.094 -0.070 0.000 1.067 400 V CA 2.429 64.685 62.300 -0.073 0.000 1.047 400 V CB -1.500 30.291 31.823 -0.053 0.000 0.649 400 V HN 0.690 nan 8.190 nan 0.000 0.447 401 G N -0.893 107.864 108.800 -0.071 0.000 2.459 401 G HA2 -0.261 3.698 3.960 -0.002 0.000 0.217 401 G HA3 -0.261 3.698 3.960 -0.002 0.000 0.217 401 G C 1.745 176.594 174.900 -0.084 0.000 1.183 401 G CA 1.155 46.211 45.100 -0.075 0.000 0.776 401 G HN 0.689 nan 8.290 nan 0.000 0.552 402 A N 0.229 122.995 122.820 -0.090 0.000 2.019 402 A HA 0.033 4.352 4.320 -0.002 0.000 0.219 402 A C 2.365 179.897 177.584 -0.087 0.000 1.164 402 A CA 2.099 54.081 52.037 -0.092 0.000 0.644 402 A CB -0.274 18.665 19.000 -0.102 0.000 0.805 402 A HN 0.327 nan 8.150 nan 0.000 0.449 403 M N -0.303 119.246 119.600 -0.086 0.000 2.319 403 M HA 0.000 4.479 4.480 -0.002 0.000 0.265 403 M C 1.865 178.123 176.300 -0.070 0.000 1.068 403 M CA 0.833 56.086 55.300 -0.078 0.000 1.118 403 M CB -1.704 30.849 32.600 -0.079 0.000 1.395 403 M HN 0.158 nan 8.290 nan 0.000 0.435 404 V N 1.467 121.338 119.914 -0.072 0.000 2.867 404 V HA -0.234 3.885 4.120 -0.002 0.000 0.260 404 V C 2.298 178.346 176.094 -0.076 0.000 1.099 404 V CA 1.738 63.995 62.300 -0.071 0.000 1.122 404 V CB -1.222 30.555 31.823 -0.076 0.000 0.708 404 V HN 0.489 nan 8.190 nan 0.000 0.490 405 D N 1.623 121.977 120.400 -0.076 0.000 2.116 405 D HA -0.266 4.373 4.640 -0.002 0.000 0.193 405 D C 2.124 178.396 176.300 -0.047 0.000 0.998 405 D CA 2.046 56.004 54.000 -0.070 0.000 0.836 405 D CB 0.145 40.908 40.800 -0.062 0.000 0.951 405 D HN 0.420 nan 8.370 nan 0.000 0.449 406 A N 1.217 124.012 122.820 -0.043 0.000 1.892 406 A HA -0.066 4.253 4.320 -0.002 0.000 0.218 406 A C 2.583 180.145 177.584 -0.037 0.000 1.188 406 A CA 2.920 54.939 52.037 -0.031 0.000 0.631 406 A CB -1.073 17.906 19.000 -0.035 0.000 0.822 406 A HN 0.424 nan 8.150 nan 0.000 0.447 407 A N -0.502 122.285 122.820 -0.055 0.000 1.902 407 A HA -0.065 4.254 4.320 -0.002 0.000 0.217 407 A C 2.097 179.643 177.584 -0.064 0.000 1.181 407 A CA 1.528 53.524 52.037 -0.067 0.000 0.623 407 A CB -0.475 18.478 19.000 -0.078 0.000 0.818 407 A HN 0.428 nan 8.150 nan 0.000 0.443 408 I N -0.085 120.446 120.570 -0.065 0.000 2.226 408 I HA -0.171 3.998 4.170 -0.002 0.000 0.245 408 I C 2.271 178.377 176.117 -0.017 0.000 1.100 408 I CA 1.486 62.748 61.300 -0.064 0.000 1.374 408 I CB -0.468 37.475 38.000 -0.095 0.000 1.057 408 I HN 0.191 nan 8.210 nan 0.000 0.413 409 V N -0.616 119.303 119.914 0.009 0.000 2.825 409 V HA -0.132 3.987 4.120 -0.002 0.000 0.246 409 V C 2.133 178.257 176.094 0.051 0.000 1.068 409 V CA 0.794 63.133 62.300 0.066 0.000 1.088 409 V CB -0.140 31.735 31.823 0.088 0.000 0.733 409 V HN 0.263 nan 8.190 nan 0.000 0.468 410 M N -0.293 119.316 119.600 0.015 0.000 2.216 410 M HA 0.122 4.601 4.480 -0.002 0.000 0.264 410 M C 1.891 178.194 176.300 0.004 0.000 1.080 410 M CA 1.623 56.928 55.300 0.009 0.000 1.153 410 M CB -0.394 32.199 32.600 -0.012 0.000 1.356 410 M HN 0.146 nan 8.290 nan 0.000 0.432 411 I N 0.471 121.024 120.570 -0.027 0.000 2.208 411 I HA -0.308 3.861 4.170 -0.002 0.000 0.245 411 I C 2.026 178.116 176.117 -0.044 0.000 1.097 411 I CA 1.923 63.190 61.300 -0.056 0.000 1.363 411 I CB -0.340 37.578 38.000 -0.136 0.000 1.051 411 I HN 0.430 nan 8.210 nan 0.000 0.413 412 E N 0.502 120.688 120.200 -0.022 0.000 2.107 412 E HA -0.236 4.112 4.350 -0.002 0.000 0.191 412 E C 1.797 178.456 176.600 0.098 0.000 0.982 412 E CA 1.369 57.792 56.400 0.040 0.000 0.809 412 E CB -0.842 28.888 29.700 0.050 0.000 0.756 412 E HN 0.390 nan 8.360 nan 0.000 0.459 413 N N 0.585 119.332 118.700 0.079 0.000 2.120 413 N HA -0.146 4.593 4.740 -0.002 0.000 0.188 413 N C 1.782 177.321 175.510 0.047 0.000 1.024 413 N CA 1.665 54.757 53.050 0.069 0.000 0.852 413 N CB -0.157 38.371 38.487 0.068 0.000 1.003 413 N HN 0.341 nan 8.380 nan 0.000 0.424 414 A N 0.077 122.933 122.820 0.060 0.000 1.933 414 A HA -0.157 4.162 4.320 -0.002 0.000 0.218 414 A C 1.837 179.470 177.584 0.083 0.000 1.175 414 A CA 1.319 53.388 52.037 0.053 0.000 0.628 414 A CB -0.834 18.212 19.000 0.076 0.000 0.814 414 A HN 0.395 nan 8.150 nan 0.000 0.444 415 H N 0.218 119.283 119.070 -0.008 0.000 2.457 415 H HA -0.052 4.503 4.556 -0.002 0.000 0.294 415 H C 2.034 177.366 175.328 0.007 0.000 1.064 415 H CA 1.777 57.829 56.048 0.006 0.000 1.330 415 H CB 0.123 29.899 29.762 0.025 0.000 1.395 415 H HN 0.669 nan 8.280 nan 0.000 0.541 416 K N -0.358 120.098 120.400 0.093 0.000 2.186 416 K HA 0.046 4.365 4.320 -0.002 0.000 0.202 416 K C 1.930 178.534 176.600 0.007 0.000 1.052 416 K CA 0.857 57.175 56.287 0.051 0.000 0.965 416 K CB 0.089 32.612 32.500 0.039 0.000 0.746 416 K HN -0.080 nan 8.250 nan 0.000 0.457 417 R N 0.799 121.248 120.500 -0.084 0.000 2.193 417 R HA 0.188 4.527 4.340 -0.002 0.000 0.213 417 R C 2.008 178.156 176.300 -0.254 0.000 1.055 417 R CA 0.514 56.448 56.100 -0.277 0.000 0.995 417 R CB -0.479 29.551 30.300 -0.450 0.000 0.893 417 R HN 0.343 nan 8.270 nan 0.000 0.459 418 L N 0.599 121.749 121.223 -0.122 0.000 2.027 418 L HA -0.124 4.215 4.340 -0.002 0.000 0.206 418 L C 1.623 178.504 176.870 0.018 0.000 1.074 418 L CA 2.160 56.958 54.840 -0.071 0.000 0.745 418 L CB -0.695 41.281 42.059 -0.138 0.000 0.898 418 L HN 0.123 nan 8.230 nan 0.000 0.433 419 E N 0.819 121.034 120.200 0.024 0.000 2.085 419 E HA -0.247 4.102 4.350 -0.002 0.000 0.194 419 E C 2.071 178.761 176.600 0.151 0.000 0.994 419 E CA 1.985 58.418 56.400 0.056 0.000 0.801 419 E CB -0.084 29.670 29.700 0.091 0.000 0.743 419 E HN 0.782 nan 8.360 nan 0.000 0.453 420 E N -1.280 119.102 120.200 0.303 0.000 2.442 420 E HA -0.103 4.246 4.350 -0.002 0.000 0.195 420 E C 1.786 178.656 176.600 0.449 0.000 1.030 420 E CA 0.092 56.736 56.400 0.407 0.000 0.869 420 E CB -0.364 29.605 29.700 0.448 0.000 0.857 420 E HN 0.458 nan 8.360 nan 0.000 0.505 421 W N 1.505 122.812 121.300 0.012 0.000 2.576 421 W HA -0.017 4.641 4.660 -0.003 0.000 0.275 421 W C 2.289 178.802 176.519 -0.011 0.000 1.241 421 W CA 0.598 57.953 57.345 0.016 0.000 1.328 421 W CB 0.388 29.869 29.460 0.034 0.000 1.092 421 W HN 0.205 nan 8.180 nan 0.000 0.586 422 Q N 0.228 120.104 119.800 0.126 0.000 2.096 422 Q HA -0.233 4.105 4.340 -0.002 0.000 0.204 422 Q C 1.891 177.839 176.000 -0.085 0.000 0.982 422 Q CA 1.838 57.613 55.803 -0.046 0.000 0.850 422 Q CB -0.658 27.953 28.738 -0.212 0.000 0.901 422 Q HN 0.218 nan 8.270 nan 0.000 0.422 423 H N -0.053 119.054 119.070 0.062 0.000 2.403 423 H HA 0.024 4.579 4.556 -0.002 0.000 0.298 423 H C 0.816 176.131 175.328 -0.022 0.000 1.059 423 H CA 1.227 57.286 56.048 0.019 0.000 1.363 423 H CB -0.236 29.537 29.762 0.018 0.000 1.410 423 H HN 0.619 nan 8.280 nan 0.000 0.528 434 T N 0.694 114.919 114.554 -0.549 0.000 2.951 434 T HA -0.009 4.339 4.350 -0.002 0.000 0.268 434 T C 1.596 176.067 174.700 -0.382 0.000 1.073 434 T CA 1.438 63.336 62.100 -0.336 0.000 1.134 434 T CB 0.002 68.745 68.868 -0.207 0.000 0.884 434 T HN 0.005 nan 8.240 nan 0.000 0.479 435 R N 0.387 120.485 120.500 -0.670 0.000 2.081 435 R HA 0.020 4.359 4.340 -0.002 0.000 0.235 435 R C 2.007 178.193 176.300 -0.190 0.000 1.131 435 R CA 1.641 57.457 56.100 -0.473 0.000 0.960 435 R CB -0.687 29.237 30.300 -0.628 0.000 0.856 435 R HN 0.655 nan 8.270 nan 0.000 0.436 436 W N 0.108 121.397 121.300 -0.019 0.000 2.374 436 W HA -0.104 4.556 4.660 0.001 0.000 0.288 436 W C 2.160 178.646 176.519 -0.056 0.000 1.218 436 W CA 0.048 57.370 57.345 -0.039 0.000 1.245 436 W CB -0.316 29.135 29.460 -0.014 0.000 1.126 436 W HN 0.214 nan 8.180 nan 0.000 0.545 437 Q N 0.982 120.808 119.800 0.044 0.000 2.079 437 Q HA -0.198 4.141 4.340 -0.002 0.000 0.200 437 Q C 2.381 178.356 176.000 -0.043 0.000 0.974 437 Q CA 1.911 57.713 55.803 -0.001 0.000 0.840 437 Q CB -0.367 28.348 28.738 -0.039 0.000 0.898 437 Q HN 0.287 nan 8.270 nan 0.000 0.430 438 V N 1.466 121.329 119.914 -0.085 0.000 2.392 438 V HA -0.252 3.867 4.120 -0.002 0.000 0.249 438 V C 2.096 178.069 176.094 -0.201 0.000 1.059 438 V CA 1.515 63.740 62.300 -0.124 0.000 1.051 438 V CB -0.509 31.247 31.823 -0.110 0.000 0.658 438 V HN 0.383 nan 8.190 nan 0.000 0.455 439 I N -0.167 120.270 120.570 -0.221 0.000 2.163 439 I HA -0.199 3.970 4.170 -0.002 0.000 0.243 439 I C 2.582 178.633 176.117 -0.109 0.000 1.085 439 I CA 2.293 63.464 61.300 -0.216 0.000 1.347 439 I CB -2.357 35.560 38.000 -0.137 0.000 1.044 439 I HN 0.284 nan 8.210 nan 0.000 0.408 440 T N 1.082 115.605 114.554 -0.051 0.000 2.867 440 T HA -0.128 4.221 4.350 -0.002 0.000 0.268 440 T C 1.461 176.136 174.700 -0.042 0.000 1.057 440 T CA 1.448 63.531 62.100 -0.028 0.000 1.136 440 T CB -0.256 68.612 68.868 0.001 0.000 0.874 440 T HN 0.321 nan 8.240 nan 0.000 0.466 441 D N 1.578 121.945 120.400 -0.055 0.000 2.133 441 D HA -0.084 4.555 4.640 -0.002 0.000 0.195 441 D C 2.279 178.547 176.300 -0.054 0.000 0.997 441 D CA 1.327 55.296 54.000 -0.052 0.000 0.840 441 D CB -0.490 40.279 40.800 -0.052 0.000 0.947 441 D HN 0.438 nan 8.370 nan 0.000 0.452 442 A N 0.567 123.341 122.820 -0.076 0.000 1.933 442 A HA -0.138 4.181 4.320 -0.002 0.000 0.218 442 A C 2.395 179.956 177.584 -0.038 0.000 1.175 442 A CA 1.767 53.764 52.037 -0.067 0.000 0.628 442 A CB -0.472 18.461 19.000 -0.113 0.000 0.814 442 A HN 0.186 nan 8.150 nan 0.000 0.444 443 S N -0.259 115.418 115.700 -0.038 0.000 2.399 443 S HA -0.111 4.358 4.470 -0.002 0.000 0.231 443 S C 1.777 176.363 174.600 -0.022 0.000 1.022 443 S CA 1.180 59.369 58.200 -0.018 0.000 0.983 443 S CB -0.442 62.749 63.200 -0.015 0.000 0.803 443 S HN 0.335 nan 8.310 nan 0.000 0.480 444 V N 2.169 122.062 119.914 -0.035 0.000 2.380 444 V HA -0.187 3.931 4.120 -0.002 0.000 0.251 444 V C 2.640 178.706 176.094 -0.047 0.000 1.063 444 V CA 1.609 63.881 62.300 -0.046 0.000 1.055 444 V CB -0.535 31.256 31.823 -0.053 0.000 0.657 444 V HN 0.420 nan 8.190 nan 0.000 0.455 445 E N -0.238 119.940 120.200 -0.036 0.000 2.118 445 E HA -0.174 4.175 4.350 -0.002 0.000 0.195 445 E C 2.236 178.812 176.600 -0.041 0.000 0.992 445 E CA 1.295 57.672 56.400 -0.038 0.000 0.804 445 E CB -0.201 29.487 29.700 -0.019 0.000 0.741 445 E HN 0.492 nan 8.360 nan 0.000 0.458 446 V N 0.238 120.141 119.914 -0.018 0.000 2.407 446 V HA -0.126 3.993 4.120 -0.002 0.000 0.245 446 V C 2.351 178.442 176.094 -0.006 0.000 1.041 446 V CA 1.542 63.838 62.300 -0.008 0.000 1.040 446 V CB -0.827 31.012 31.823 0.026 0.000 0.671 446 V HN 0.316 nan 8.190 nan 0.000 0.455 447 G N 1.706 110.498 108.800 -0.013 0.000 2.681 447 G HA2 -0.282 3.677 3.960 -0.002 0.000 0.220 447 G HA3 -0.282 3.677 3.960 -0.002 0.000 0.220 447 G C 0.121 175.032 174.900 0.019 0.000 1.210 447 G CA 1.555 46.650 45.100 -0.010 0.000 0.783 447 G HN 0.546 nan 8.290 nan 0.000 0.609 448 P HA -0.056 nan 4.420 nan 0.000 0.215 448 P C 2.191 179.536 177.300 0.074 0.000 1.157 448 P CA 2.177 65.285 63.100 0.014 0.000 0.863 448 P CB -0.331 31.314 31.700 -0.092 0.000 0.787 449 A N 0.943 123.760 122.820 -0.005 0.000 1.884 449 A HA -0.215 4.104 4.320 -0.002 0.000 0.219 449 A C 2.467 180.067 177.584 0.027 0.000 1.197 449 A CA 2.221 54.257 52.037 -0.003 0.000 0.637 449 A CB -1.864 17.117 19.000 -0.031 0.000 0.827 449 A HN 0.268 nan 8.150 nan 0.000 0.450 450 L N -1.794 119.452 121.223 0.038 0.000 1.989 450 L HA -0.168 4.171 4.340 -0.002 0.000 0.211 450 L C 2.423 179.322 176.870 0.049 0.000 1.071 450 L CA 2.612 57.475 54.840 0.038 0.000 0.749 450 L CB -0.415 41.666 42.059 0.037 0.000 0.890 450 L HN 0.459 nan 8.230 nan 0.000 0.431 451 F N 1.705 121.621 119.950 -0.056 0.000 2.051 451 F HA -0.246 4.280 4.527 -0.001 0.000 0.296 451 F C 2.312 178.076 175.800 -0.060 0.000 1.122 451 F CA 2.340 60.304 58.000 -0.059 0.000 1.201 451 F CB -0.432 38.528 39.000 -0.067 0.000 0.978 451 F HN 0.224 nan 8.300 nan 0.000 0.472 452 I N -1.149 119.465 120.570 0.072 0.000 2.530 452 I HA -0.192 3.977 4.170 -0.002 0.000 0.257 452 I C 2.270 178.288 176.117 -0.165 0.000 1.179 452 I CA 1.700 62.953 61.300 -0.079 0.000 1.440 452 I CB -0.943 37.090 38.000 0.055 0.000 1.087 452 I HN 0.365 nan 8.210 nan 0.000 0.440 453 S N 1.699 117.327 115.700 -0.121 0.000 2.371 453 S HA 0.071 4.540 4.470 -0.002 0.000 0.221 453 S C 2.020 176.536 174.600 -0.141 0.000 1.036 453 S CA 0.422 58.566 58.200 -0.095 0.000 0.965 453 S CB -0.360 62.816 63.200 -0.040 0.000 0.845 453 S HN 0.552 nan 8.310 nan 0.000 0.475 454 L N 0.876 121.991 121.223 -0.181 0.000 2.191 454 L HA -0.045 4.294 4.340 -0.002 0.000 0.212 454 L C 2.052 178.793 176.870 -0.215 0.000 1.103 454 L CA 0.606 55.338 54.840 -0.179 0.000 0.769 454 L CB -0.434 41.526 42.059 -0.165 0.000 0.908 454 L HN 0.332 nan 8.230 nan 0.000 0.438 455 L N -0.940 120.094 121.223 -0.315 0.000 2.313 455 L HA -0.072 4.267 4.340 -0.002 0.000 0.214 455 L C 2.102 178.873 176.870 -0.165 0.000 1.119 455 L CA 1.341 56.014 54.840 -0.278 0.000 0.809 455 L CB -0.239 41.568 42.059 -0.421 0.000 0.933 455 L HN 0.150 nan 8.230 nan 0.000 0.449 456 I N -1.114 119.371 120.570 -0.142 0.000 2.852 456 I HA -0.137 4.032 4.170 -0.002 0.000 0.264 456 I C 2.058 178.141 176.117 -0.057 0.000 1.179 456 I CA 0.627 61.879 61.300 -0.080 0.000 1.480 456 I CB 0.280 38.244 38.000 -0.061 0.000 1.111 456 I HN 0.136 nan 8.210 nan 0.000 0.441 457 I N 0.436 120.961 120.570 -0.076 0.000 2.353 457 I HA -0.241 3.928 4.170 -0.002 0.000 0.248 457 I C 2.637 178.710 176.117 -0.073 0.000 1.119 457 I CA 1.623 62.881 61.300 -0.070 0.000 1.417 457 I CB -0.809 37.135 38.000 -0.094 0.000 1.078 457 I HN 0.339 nan 8.210 nan 0.000 0.421 458 T N 0.341 114.848 114.554 -0.079 0.000 2.821 458 T HA -0.151 4.198 4.350 -0.002 0.000 0.267 458 T C 1.860 176.568 174.700 0.014 0.000 1.046 458 T CA 0.984 63.051 62.100 -0.056 0.000 1.139 458 T CB -0.302 68.538 68.868 -0.046 0.000 0.871 458 T HN 0.176 nan 8.240 nan 0.000 0.454 459 L N 2.200 123.423 121.223 0.001 0.000 2.217 459 L HA 0.165 4.504 4.340 -0.002 0.000 0.211 459 L C 2.687 179.576 176.870 0.033 0.000 1.107 459 L CA 1.642 56.494 54.840 0.020 0.000 0.783 459 L CB -0.553 41.507 42.059 0.002 0.000 0.919 459 L HN 0.548 nan 8.230 nan 0.000 0.442 460 S N -2.133 113.589 115.700 0.037 0.000 2.507 460 S HA -0.165 4.304 4.470 -0.002 0.000 0.235 460 S C 1.913 176.565 174.600 0.086 0.000 0.988 460 S CA 0.659 58.889 58.200 0.050 0.000 0.944 460 S CB -0.915 62.312 63.200 0.045 0.000 0.762 460 S HN 0.474 nan 8.310 nan 0.000 0.526 461 F N 1.455 121.317 119.950 -0.146 0.000 2.473 461 F HA 0.176 4.702 4.527 -0.002 0.000 0.294 461 F C 2.093 177.684 175.800 -0.348 0.000 1.103 461 F CA 0.112 57.955 58.000 -0.262 0.000 1.442 461 F CB -0.002 38.793 39.000 -0.342 0.000 1.097 461 F HN 0.139 nan 8.300 nan 0.000 0.547 462 I N 2.363 122.805 120.570 -0.212 0.000 2.143 462 I HA -0.259 3.910 4.170 -0.002 0.000 0.245 462 I C -0.938 175.058 176.117 -0.201 0.000 1.068 462 I CA 2.178 63.378 61.300 -0.167 0.000 1.326 462 I CB -1.872 36.144 38.000 0.027 0.000 1.028 462 I HN 0.046 nan 8.210 nan 0.000 0.412 463 P HA -0.229 nan 4.420 nan 0.000 0.216 463 P C 2.179 179.370 177.300 -0.181 0.000 1.154 463 P CA 1.590 64.621 63.100 -0.115 0.000 0.865 463 P CB -0.309 31.346 31.700 -0.074 0.000 0.789 464 I N -1.110 119.243 120.570 -0.362 0.000 2.179 464 I HA -0.248 3.921 4.170 -0.002 0.000 0.242 464 I C 1.971 177.942 176.117 -0.244 0.000 1.088 464 I CA 1.909 62.962 61.300 -0.413 0.000 1.357 464 I CB -1.054 36.553 38.000 -0.654 0.000 1.051 464 I HN -0.059 nan 8.210 nan 0.000 0.409 465 F N 1.359 121.097 119.950 -0.353 0.000 2.147 465 F HA -0.328 4.198 4.527 -0.002 0.000 0.301 465 F C 2.533 178.279 175.800 -0.091 0.000 1.084 465 F CA 1.669 59.547 58.000 -0.204 0.000 1.268 465 F CB -0.632 38.199 39.000 -0.282 0.000 1.009 465 F HN 0.181 nan 8.300 nan 0.000 0.486 466 T N 0.551 115.156 114.554 0.085 0.000 2.684 466 T HA -0.213 4.136 4.350 -0.002 0.000 0.267 466 T C 1.034 175.762 174.700 0.047 0.000 1.036 466 T CA 0.418 62.553 62.100 0.058 0.000 1.148 466 T CB -0.543 68.340 68.868 0.026 0.000 0.863 466 T HN 0.124 nan 8.240 nan 0.000 0.436 467 L N 2.864 124.095 121.223 0.015 0.000 2.745 467 L HA 0.017 4.355 4.340 -0.002 0.000 0.273 467 L C 0.455 177.353 176.870 0.046 0.000 1.156 467 L CA 0.396 55.241 54.840 0.009 0.000 0.982 467 L CB 0.038 42.074 42.059 -0.039 0.000 1.295 467 L HN 0.308 nan 8.230 nan 0.000 0.483 468 E N 4.287 124.512 120.200 0.041 0.000 2.969 468 E HA 0.363 4.712 4.350 -0.002 0.000 0.213 468 E C -0.054 176.567 176.600 0.035 0.000 1.107 468 E CA -0.341 56.091 56.400 0.054 0.000 1.007 468 E CB 0.668 30.397 29.700 0.049 0.000 1.326 468 E HN 0.774 nan 8.360 nan 0.000 0.432 469 G N 0.910 109.735 108.800 0.042 0.000 3.107 469 G HA2 -0.003 3.956 3.960 -0.002 0.000 0.232 469 G HA3 -0.003 3.956 3.960 -0.002 0.000 0.232 469 G C 0.512 175.440 174.900 0.046 0.000 1.339 469 G CA -0.194 44.923 45.100 0.029 0.000 1.033 469 G HN 0.365 nan 8.290 nan 0.000 0.567 470 Q N -0.199 119.623 119.800 0.037 0.000 2.137 470 Q HA -0.086 4.253 4.340 -0.002 0.000 0.198 470 Q C 1.820 177.863 176.000 0.071 0.000 0.960 470 Q CA 2.117 57.946 55.803 0.043 0.000 0.847 470 Q CB -0.434 28.318 28.738 0.023 0.000 0.915 470 Q HN 0.851 nan 8.270 nan 0.000 0.448 471 E N 0.272 120.515 120.200 0.073 0.000 2.106 471 E HA -0.083 4.266 4.350 -0.002 0.000 0.192 471 E C 2.008 178.701 176.600 0.156 0.000 0.984 471 E CA 1.215 57.678 56.400 0.105 0.000 0.806 471 E CB -0.446 29.302 29.700 0.080 0.000 0.750 471 E HN 0.426 nan 8.360 nan 0.000 0.458 472 G N 0.899 109.773 108.800 0.123 0.000 2.408 472 G HA2 -0.170 3.789 3.960 -0.002 0.000 0.215 472 G HA3 -0.170 3.789 3.960 -0.002 0.000 0.215 472 G C 1.788 176.825 174.900 0.228 0.000 1.156 472 G CA 0.059 45.252 45.100 0.155 0.000 0.793 472 G HN 0.029 nan 8.290 nan 0.000 0.535 473 R N -0.211 120.386 120.500 0.162 0.000 2.153 473 R HA 0.153 4.492 4.340 -0.002 0.000 0.218 473 R C 2.335 178.717 176.300 0.137 0.000 1.072 473 R CA 0.276 56.463 56.100 0.145 0.000 0.990 473 R CB -0.852 29.496 30.300 0.081 0.000 0.889 473 R HN 0.420 nan 8.270 nan 0.000 0.452 474 L N -0.324 120.984 121.223 0.141 0.000 1.970 474 L HA -0.125 4.214 4.340 -0.002 0.000 0.212 474 L C 1.885 178.861 176.870 0.177 0.000 1.071 474 L CA 1.939 56.859 54.840 0.133 0.000 0.751 474 L CB -1.131 41.009 42.059 0.136 0.000 0.889 474 L HN 0.160 nan 8.230 nan 0.000 0.432 475 F N 0.896 120.913 119.950 0.112 0.000 2.134 475 F HA 0.032 4.558 4.527 -0.002 0.000 0.299 475 F C 2.312 178.247 175.800 0.225 0.000 1.097 475 F CA 1.600 59.683 58.000 0.139 0.000 1.264 475 F CB -1.042 38.023 39.000 0.108 0.000 1.001 475 F HN 0.250 nan 8.300 nan 0.000 0.479 476 G N 0.902 110.018 108.800 0.526 0.000 2.759 476 G HA2 -0.365 3.594 3.960 -0.002 0.000 0.224 476 G HA3 -0.365 3.594 3.960 -0.002 0.000 0.224 476 G C -0.585 174.761 174.900 0.743 0.000 1.173 476 G CA 1.399 46.906 45.100 0.678 0.000 0.770 476 G HN 0.287 nan 8.290 nan 0.000 0.626 477 P HA -0.178 nan 4.420 nan 0.000 0.214 477 P C 2.214 179.667 177.300 0.255 0.000 1.172 477 P CA 1.414 64.662 63.100 0.247 0.000 0.925 477 P CB -0.374 31.376 31.700 0.083 0.000 0.793 478 L N -1.067 120.180 121.223 0.039 0.000 2.030 478 L HA -0.328 4.011 4.340 -0.002 0.000 0.222 478 L C 2.121 179.077 176.870 0.143 0.000 1.082 478 L CA 2.762 57.567 54.840 -0.060 0.000 0.785 478 L CB -1.055 40.710 42.059 -0.489 0.000 0.895 478 L HN -0.050 nan 8.230 nan 0.000 0.439 479 A N -0.956 122.057 122.820 0.322 0.000 1.897 479 A HA -0.138 4.181 4.320 -0.002 0.000 0.215 479 A C 1.926 179.923 177.584 0.689 0.000 1.181 479 A CA 1.456 53.878 52.037 0.642 0.000 0.620 479 A CB -0.968 18.209 19.000 0.296 0.000 0.821 479 A HN 0.508 nan 8.150 nan 0.000 0.443 480 F N 1.011 121.309 119.950 0.580 0.000 2.069 480 F HA -0.183 4.343 4.527 -0.002 0.000 0.298 480 F C 2.809 178.346 175.800 -0.438 0.000 1.113 480 F CA 2.117 60.248 58.000 0.217 0.000 1.214 480 F CB -1.043 38.101 39.000 0.240 0.000 0.978 480 F HN 0.159 nan 8.300 nan 0.000 0.474 481 T N -0.194 114.451 114.554 0.150 0.000 2.699 481 T HA -0.258 4.090 4.350 -0.002 0.000 0.268 481 T C 1.916 176.558 174.700 -0.097 0.000 1.036 481 T CA 1.824 63.988 62.100 0.106 0.000 1.147 481 T CB -0.292 68.672 68.868 0.160 0.000 0.862 481 T HN 0.229 nan 8.240 nan 0.000 0.446 482 K N 0.147 120.467 120.400 -0.134 0.000 2.076 482 K HA 0.022 4.341 4.320 -0.002 0.000 0.204 482 K C 2.737 179.134 176.600 -0.339 0.000 1.051 482 K CA 1.081 57.187 56.287 -0.301 0.000 0.949 482 K CB -0.309 31.846 32.500 -0.575 0.000 0.726 482 K HN 0.136 nan 8.250 nan 0.000 0.443 483 T N 0.659 115.072 114.554 -0.235 0.000 2.699 483 T HA -0.174 4.175 4.350 -0.002 0.000 0.268 483 T C 1.602 176.254 174.700 -0.080 0.000 1.036 483 T CA 1.629 63.677 62.100 -0.086 0.000 1.147 483 T CB -0.271 68.680 68.868 0.137 0.000 0.862 483 T HN 0.314 nan 8.240 nan 0.000 0.446 484 Y N 0.585 120.958 120.300 0.121 0.000 2.365 484 Y HA 0.384 4.933 4.550 -0.002 0.000 0.293 484 Y C 2.670 178.576 175.900 0.010 0.000 1.119 484 Y CA 0.142 58.283 58.100 0.068 0.000 1.203 484 Y CB -0.819 37.701 38.460 0.100 0.000 1.026 484 Y HN 0.118 nan 8.280 nan 0.000 0.549 485 A N 1.477 124.339 122.820 0.070 0.000 1.986 485 A HA -0.203 4.115 4.320 -0.002 0.000 0.220 485 A C 2.156 179.709 177.584 -0.051 0.000 1.171 485 A CA 2.087 54.121 52.037 -0.004 0.000 0.640 485 A CB -0.608 18.346 19.000 -0.076 0.000 0.811 485 A HN 0.410 nan 8.150 nan 0.000 0.451 486 M N -0.729 118.823 119.600 -0.080 0.000 2.123 486 M HA -0.001 4.478 4.480 -0.002 0.000 0.263 486 M C 2.556 178.813 176.300 -0.072 0.000 1.069 486 M CA 1.575 56.815 55.300 -0.099 0.000 1.133 486 M CB -1.565 30.956 32.600 -0.133 0.000 1.356 486 M HN 0.406 nan 8.290 nan 0.000 0.415 487 A N 1.076 123.873 122.820 -0.039 0.000 1.986 487 A HA -0.059 4.260 4.320 -0.002 0.000 0.220 487 A C 2.454 180.021 177.584 -0.028 0.000 1.171 487 A CA 2.123 54.138 52.037 -0.037 0.000 0.640 487 A CB -1.499 17.506 19.000 0.008 0.000 0.811 487 A HN 0.576 nan 8.150 nan 0.000 0.451 488 G N -0.967 107.828 108.800 -0.009 0.000 2.403 488 G HA2 0.109 4.068 3.960 -0.002 0.000 0.216 488 G HA3 0.109 4.068 3.960 -0.002 0.000 0.216 488 G C 1.668 176.550 174.900 -0.030 0.000 1.154 488 G CA 1.148 46.241 45.100 -0.013 0.000 0.784 488 G HN 0.771 nan 8.290 nan 0.000 0.538 489 A N 1.143 123.936 122.820 -0.045 0.000 1.930 489 A HA 0.365 4.684 4.320 -0.002 0.000 0.217 489 A C 2.773 180.331 177.584 -0.043 0.000 1.175 489 A CA 1.928 53.934 52.037 -0.052 0.000 0.627 489 A CB -0.649 18.311 19.000 -0.067 0.000 0.815 489 A HN 0.654 nan 8.150 nan 0.000 0.443 490 A N 0.228 123.016 122.820 -0.054 0.000 1.865 490 A HA -0.101 4.218 4.320 -0.002 0.000 0.217 490 A C 2.138 179.740 177.584 0.031 0.000 1.191 490 A CA 1.616 53.628 52.037 -0.041 0.000 0.623 490 A CB -0.664 18.253 19.000 -0.139 0.000 0.826 490 A HN 0.471 nan 8.150 nan 0.000 0.444 491 L N -0.640 120.594 121.223 0.019 0.000 2.093 491 L HA -0.130 4.209 4.340 -0.002 0.000 0.208 491 L C 2.643 179.515 176.870 0.003 0.000 1.085 491 L CA 1.212 56.070 54.840 0.030 0.000 0.755 491 L CB -0.798 41.266 42.059 0.008 0.000 0.904 491 L HN 0.506 nan 8.230 nan 0.000 0.435 492 L N 0.496 121.709 121.223 -0.015 0.000 2.042 492 L HA -0.215 4.124 4.340 -0.002 0.000 0.210 492 L C 2.730 179.584 176.870 -0.027 0.000 1.076 492 L CA 1.713 56.536 54.840 -0.028 0.000 0.749 492 L CB -0.331 41.705 42.059 -0.038 0.000 0.893 492 L HN 0.246 nan 8.230 nan 0.000 0.432 493 A N 0.319 123.129 122.820 -0.016 0.000 1.933 493 A HA -0.201 4.118 4.320 -0.002 0.000 0.218 493 A C 2.017 179.599 177.584 -0.004 0.000 1.175 493 A CA 1.599 53.629 52.037 -0.013 0.000 0.628 493 A CB -0.541 18.459 19.000 0.000 0.000 0.814 493 A HN 0.497 nan 8.150 nan 0.000 0.444 494 I N -0.698 119.881 120.570 0.016 0.000 2.394 494 I HA -0.102 4.067 4.170 -0.002 0.000 0.251 494 I C 2.268 178.371 176.117 -0.022 0.000 1.136 494 I CA 0.994 62.295 61.300 0.002 0.000 1.425 494 I CB -1.061 36.946 38.000 0.011 0.000 1.079 494 I HN 0.205 nan 8.210 nan 0.000 0.425 495 V N 0.479 120.377 119.914 -0.025 0.000 3.406 495 V HA -0.071 4.048 4.120 -0.002 0.000 0.263 495 V C 2.268 178.333 176.094 -0.049 0.000 1.172 495 V CA 0.480 62.760 62.300 -0.033 0.000 1.140 495 V CB 0.221 32.027 31.823 -0.029 0.000 0.784 495 V HN 0.108 nan 8.190 nan 0.000 0.467 496 V N 1.589 121.465 119.914 -0.063 0.000 2.216 496 V HA -0.246 3.873 4.120 -0.002 0.000 0.243 496 V C 2.469 178.498 176.094 -0.108 0.000 1.044 496 V CA 2.431 64.666 62.300 -0.108 0.000 0.995 496 V CB -1.032 30.730 31.823 -0.102 0.000 0.633 496 V HN 0.525 nan 8.190 nan 0.000 0.446 497 I N 0.687 121.216 120.570 -0.068 0.000 2.091 497 I HA -0.196 3.973 4.170 -0.002 0.000 0.240 497 I C 0.426 176.535 176.117 -0.015 0.000 1.046 497 I CA 2.411 63.686 61.300 -0.043 0.000 1.306 497 I CB -3.560 34.425 38.000 -0.025 0.000 1.018 497 I HN 0.328 nan 8.210 nan 0.000 0.404 498 P HA -0.196 nan 4.420 nan 0.000 0.216 498 P C 2.167 179.500 177.300 0.055 0.000 1.157 498 P CA 2.207 65.312 63.100 0.007 0.000 0.880 498 P CB -0.129 31.559 31.700 -0.020 0.000 0.791 499 I N -1.445 119.176 120.570 0.085 0.000 2.494 499 I HA -0.075 4.094 4.170 -0.002 0.000 0.250 499 I C 2.852 179.195 176.117 0.376 0.000 1.112 499 I CA 0.334 61.786 61.300 0.253 0.000 1.438 499 I CB -0.872 37.332 38.000 0.341 0.000 1.111 499 I HN -0.177 nan 8.210 nan 0.000 0.431 500 L N 0.686 121.901 121.223 -0.013 0.000 2.030 500 L HA -0.333 4.006 4.340 -0.002 0.000 0.222 500 L C 2.697 179.643 176.870 0.127 0.000 1.082 500 L CA 1.996 56.691 54.840 -0.242 0.000 0.785 500 L CB -0.161 41.766 42.059 -0.220 0.000 0.895 500 L HN 0.273 nan 8.230 nan 0.000 0.439 501 M N 0.005 119.669 119.600 0.107 0.000 2.202 501 M HA -0.131 4.348 4.480 -0.002 0.000 0.262 501 M C 1.930 178.293 176.300 0.105 0.000 1.063 501 M CA 1.828 57.181 55.300 0.088 0.000 1.097 501 M CB -1.005 31.635 32.600 0.067 0.000 1.382 501 M HN 0.341 nan 8.290 nan 0.000 0.413 502 G N -1.704 107.200 108.800 0.173 0.000 2.471 502 G HA2 -0.147 3.812 3.960 -0.002 0.000 0.219 502 G HA3 -0.147 3.812 3.960 -0.002 0.000 0.219 502 G C 0.281 175.205 174.900 0.041 0.000 1.125 502 G CA 0.269 45.410 45.100 0.068 0.000 0.775 502 G HN 0.349 nan 8.290 nan 0.000 0.548 517 L N -0.090 121.028 121.223 -0.176 0.000 2.042 517 L HA -0.076 4.263 4.340 -0.002 0.000 0.210 517 L C 1.547 177.896 176.870 -0.868 0.000 1.076 517 L CA 2.361 57.060 54.840 -0.235 0.000 0.749 517 L CB -2.329 39.703 42.059 -0.045 0.000 0.893 517 L HN 0.182 nan 8.230 nan 0.000 0.432 518 N N 0.966 119.284 118.700 -0.636 0.000 2.137 518 N HA -0.213 4.526 4.740 -0.002 0.000 0.190 518 N C 2.001 177.200 175.510 -0.518 0.000 1.017 518 N CA 1.471 54.115 53.050 -0.677 0.000 0.859 518 N CB -0.489 37.751 38.487 -0.413 0.000 1.002 518 N HN 0.403 nan 8.380 nan 0.000 0.428 519 R N 0.309 120.616 120.500 -0.321 0.000 2.189 519 R HA -0.074 4.265 4.340 -0.002 0.000 0.223 519 R C 1.221 177.484 176.300 -0.063 0.000 1.092 519 R CA 0.773 56.790 56.100 -0.139 0.000 0.989 519 R CB -0.195 30.073 30.300 -0.054 0.000 0.876 519 R HN 0.382 nan 8.270 nan 0.000 0.457 520 F N -1.209 118.708 119.950 -0.055 0.000 2.811 520 F HA 0.155 4.681 4.527 -0.002 0.000 0.301 520 F C 0.965 176.762 175.800 -0.006 0.000 1.151 520 F CA 0.149 58.135 58.000 -0.023 0.000 1.412 520 F CB -0.266 38.717 39.000 -0.027 0.000 1.113 520 F HN -0.084 nan 8.300 nan 0.000 0.579 521 L N 0.165 121.357 121.223 -0.052 0.000 2.463 521 L HA 0.083 4.422 4.340 -0.002 0.000 0.219 521 L C 2.197 179.083 176.870 0.028 0.000 1.088 521 L CA 0.023 54.891 54.840 0.047 0.000 0.849 521 L CB -0.158 41.844 42.059 -0.095 0.000 1.012 521 L HN 0.093 nan 8.230 nan 0.000 0.468 522 I N -0.592 119.965 120.570 -0.020 0.000 2.500 522 I HA -0.110 4.058 4.170 -0.002 0.000 0.252 522 I C 2.216 178.404 176.117 0.118 0.000 1.142 522 I CA 0.950 62.233 61.300 -0.028 0.000 1.451 522 I CB -1.009 37.028 38.000 0.062 0.000 1.093 522 I HN 0.293 nan 8.210 nan 0.000 0.430 523 R N 0.889 121.480 120.500 0.152 0.000 2.237 523 R HA -0.002 4.337 4.340 -0.002 0.000 0.219 523 R C 2.154 178.536 176.300 0.137 0.000 1.080 523 R CA 0.758 56.960 56.100 0.170 0.000 0.995 523 R CB -0.112 30.274 30.300 0.144 0.000 0.875 523 R HN 0.289 nan 8.270 nan 0.000 0.462 524 V N -0.522 119.464 119.914 0.120 0.000 2.685 524 V HA -0.145 3.974 4.120 -0.002 0.000 0.244 524 V C 1.752 177.887 176.094 0.069 0.000 1.054 524 V CA 0.875 63.236 62.300 0.102 0.000 1.076 524 V CB -0.503 31.395 31.823 0.126 0.000 0.725 524 V HN 0.183 nan 8.190 nan 0.000 0.467 525 Y N 0.743 120.978 120.300 -0.108 0.000 2.133 525 Y HA -0.224 4.325 4.550 -0.002 0.000 0.287 525 Y C 2.834 178.588 175.900 -0.242 0.000 1.134 525 Y CA 2.070 60.049 58.100 -0.203 0.000 1.133 525 Y CB -0.263 37.952 38.460 -0.408 0.000 0.987 525 Y HN 0.303 nan 8.280 nan 0.000 0.502 526 H N -0.116 119.003 119.070 0.081 0.000 2.321 526 H HA -0.058 4.496 4.556 -0.002 0.000 0.300 526 H C -0.596 174.705 175.328 -0.045 0.000 1.087 526 H CA 1.985 57.991 56.048 -0.070 0.000 1.319 526 H CB -1.986 27.654 29.762 -0.204 0.000 1.379 526 H HN 0.365 nan 8.280 nan 0.000 0.501 527 P HA -0.137 nan 4.420 nan 0.000 0.219 527 P C 1.924 179.185 177.300 -0.065 0.000 1.146 527 P CA 0.820 63.949 63.100 0.048 0.000 0.808 527 P CB 0.135 31.869 31.700 0.057 0.000 0.779 528 L N 0.131 121.255 121.223 -0.164 0.000 2.049 528 L HA -0.065 4.274 4.340 -0.002 0.000 0.203 528 L C 2.546 179.140 176.870 -0.460 0.000 1.074 528 L CA 1.541 56.206 54.840 -0.292 0.000 0.749 528 L CB -1.677 40.194 42.059 -0.313 0.000 0.907 528 L HN -0.077 nan 8.230 nan 0.000 0.439 529 L N -0.797 120.077 121.223 -0.582 0.000 2.021 529 L HA -0.230 4.109 4.340 -0.002 0.000 0.215 529 L C 2.397 179.055 176.870 -0.354 0.000 1.074 529 L CA 1.963 56.477 54.840 -0.543 0.000 0.760 529 L CB -1.565 40.243 42.059 -0.419 0.000 0.889 529 L HN 0.155 nan 8.230 nan 0.000 0.433 530 L N -0.457 120.631 121.223 -0.226 0.000 2.131 530 L HA -0.169 4.169 4.340 -0.002 0.000 0.210 530 L C 2.762 179.397 176.870 -0.392 0.000 1.092 530 L CA 1.898 56.608 54.840 -0.217 0.000 0.759 530 L CB -0.623 41.424 42.059 -0.020 0.000 0.903 530 L HN 0.501 nan 8.230 nan 0.000 0.435 531 K N -0.970 119.255 120.400 -0.292 0.000 2.167 531 K HA -0.082 4.236 4.320 -0.002 0.000 0.203 531 K C 1.712 178.107 176.600 -0.340 0.000 1.052 531 K CA 1.467 57.600 56.287 -0.257 0.000 0.956 531 K CB 0.158 32.578 32.500 -0.133 0.000 0.735 531 K HN 0.373 nan 8.250 nan 0.000 0.451 532 V N -1.189 118.517 119.914 -0.346 0.000 3.406 532 V HA -0.026 4.093 4.120 -0.002 0.000 0.263 532 V C 1.749 177.699 176.094 -0.241 0.000 1.172 532 V CA 0.310 62.474 62.300 -0.227 0.000 1.140 532 V CB -0.220 31.401 31.823 -0.336 0.000 0.784 532 V HN 0.030 nan 8.190 nan 0.000 0.467 533 L N 0.738 121.705 121.223 -0.426 0.000 2.072 533 L HA 0.022 4.361 4.340 -0.002 0.000 0.205 533 L C 2.699 179.370 176.870 -0.331 0.000 1.079 533 L CA 1.661 56.278 54.840 -0.372 0.000 0.752 533 L CB -1.751 40.043 42.059 -0.440 0.000 0.906 533 L HN 0.406 nan 8.230 nan 0.000 0.436 534 H N -2.331 116.551 119.070 -0.313 0.000 2.545 534 H HA -0.095 4.460 4.556 -0.002 0.000 0.282 534 H C 0.140 175.242 175.328 -0.375 0.000 1.020 534 H CA 0.519 56.321 56.048 -0.410 0.000 1.243 534 H CB -0.093 29.291 29.762 -0.631 0.000 1.377 534 H HN 0.329 nan 8.280 nan 0.000 0.581 535 W N 1.206 122.530 121.300 0.040 0.000 1.986 535 W HA 0.262 4.921 4.660 -0.002 0.000 0.287 535 W C -2.156 174.362 176.519 -0.002 0.000 0.866 535 W CA -2.655 54.702 57.345 0.021 0.000 2.056 535 W CB 0.551 30.020 29.460 0.016 0.000 2.290 535 W HN 0.095 nan 8.180 nan 0.000 0.396 536 P HA -0.227 nan 4.420 nan 0.000 0.214 536 P C 1.938 179.296 177.300 0.097 0.000 1.163 536 P CA 2.049 65.201 63.100 0.087 0.000 0.883 536 P CB 0.444 32.172 31.700 0.047 0.000 0.788 537 K N -0.156 120.303 120.400 0.098 0.000 2.113 537 K HA -0.163 4.156 4.320 -0.002 0.000 0.208 537 K C 1.933 178.578 176.600 0.074 0.000 1.047 537 K CA 2.345 58.676 56.287 0.073 0.000 0.928 537 K CB -1.521 31.017 32.500 0.063 0.000 0.716 537 K HN 0.249 nan 8.250 nan 0.000 0.446 538 T N -2.322 112.290 114.554 0.096 0.000 2.881 538 T HA -0.185 4.164 4.350 -0.002 0.000 0.270 538 T C 1.896 176.644 174.700 0.081 0.000 1.068 538 T CA 1.911 64.051 62.100 0.067 0.000 1.131 538 T CB -1.155 67.745 68.868 0.054 0.000 0.871 538 T HN 0.461 nan 8.240 nan 0.000 0.479 539 T N 1.088 115.704 114.554 0.103 0.000 2.652 539 T HA -0.019 4.330 4.350 -0.002 0.000 0.267 539 T C 2.011 176.775 174.700 0.107 0.000 1.039 539 T CA 1.183 63.350 62.100 0.113 0.000 1.153 539 T CB -0.913 68.018 68.868 0.106 0.000 0.863 539 T HN 0.380 nan 8.240 nan 0.000 0.428 540 L N 0.325 121.599 121.223 0.085 0.000 2.046 540 L HA 0.040 4.378 4.340 -0.002 0.000 0.208 540 L C 2.864 179.775 176.870 0.069 0.000 1.077 540 L CA 1.201 56.087 54.840 0.077 0.000 0.747 540 L CB -0.494 41.601 42.059 0.060 0.000 0.896 540 L HN 0.296 nan 8.230 nan 0.000 0.432 541 L N -1.301 119.954 121.223 0.055 0.000 2.079 541 L HA -0.220 4.118 4.340 -0.002 0.000 0.210 541 L C 2.415 179.309 176.870 0.040 0.000 1.081 541 L CA 0.858 55.721 54.840 0.038 0.000 0.752 541 L CB -0.536 41.536 42.059 0.022 0.000 0.896 541 L HN 0.072 nan 8.230 nan 0.000 0.433 542 V N -0.236 119.711 119.914 0.055 0.000 2.453 542 V HA -0.177 3.942 4.120 -0.002 0.000 0.247 542 V C 2.650 178.784 176.094 0.068 0.000 1.048 542 V CA 1.604 63.937 62.300 0.056 0.000 1.049 542 V CB -0.541 31.329 31.823 0.079 0.000 0.672 542 V HN 0.453 nan 8.190 nan 0.000 0.457 543 A N -0.151 122.737 122.820 0.113 0.000 1.968 543 A HA 0.020 4.338 4.320 -0.002 0.000 0.217 543 A C 2.346 179.980 177.584 0.083 0.000 1.169 543 A CA 1.700 53.827 52.037 0.151 0.000 0.638 543 A CB -0.494 18.647 19.000 0.236 0.000 0.812 543 A HN 0.530 nan 8.150 nan 0.000 0.446 544 A N -0.530 122.329 122.820 0.066 0.000 1.929 544 A HA 0.108 4.426 4.320 -0.002 0.000 0.216 544 A C 2.063 179.667 177.584 0.033 0.000 1.176 544 A CA 1.514 53.580 52.037 0.049 0.000 0.628 544 A CB -0.462 18.565 19.000 0.045 0.000 0.816 544 A HN 0.646 nan 8.150 nan 0.000 0.444 545 L N -0.222 121.014 121.223 0.023 0.000 2.044 545 L HA -0.013 4.326 4.340 -0.002 0.000 0.205 545 L C 2.356 179.223 176.870 -0.005 0.000 1.075 545 L CA 2.574 57.422 54.840 0.014 0.000 0.747 545 L CB -0.917 41.145 42.059 0.005 0.000 0.903 545 L HN 0.236 nan 8.230 nan 0.000 0.435 546 S N -0.907 114.767 115.700 -0.043 0.000 2.383 546 S HA -0.162 4.306 4.470 -0.002 0.000 0.229 546 S C 1.991 176.533 174.600 -0.098 0.000 1.030 546 S CA 1.395 59.521 58.200 -0.123 0.000 1.002 546 S CB -0.437 62.637 63.200 -0.210 0.000 0.829 546 S HN 0.355 nan 8.310 nan 0.000 0.467 547 V N 1.708 121.596 119.914 -0.044 0.000 2.427 547 V HA -0.121 3.998 4.120 -0.002 0.000 0.248 547 V C 2.183 178.313 176.094 0.062 0.000 1.051 547 V CA 1.423 63.723 62.300 -0.001 0.000 1.048 547 V CB -0.548 31.290 31.823 0.025 0.000 0.666 547 V HN 0.408 nan 8.190 nan 0.000 0.456 548 L N 0.043 121.310 121.223 0.073 0.000 2.042 548 L HA -0.193 4.146 4.340 -0.002 0.000 0.210 548 L C 2.524 179.523 176.870 0.214 0.000 1.076 548 L CA 2.743 57.657 54.840 0.122 0.000 0.749 548 L CB -1.147 40.973 42.059 0.102 0.000 0.893 548 L HN 0.359 nan 8.230 nan 0.000 0.432 549 T N -1.835 112.846 114.554 0.212 0.000 2.778 549 T HA -0.216 4.133 4.350 -0.002 0.000 0.269 549 T C 1.870 176.925 174.700 0.592 0.000 1.050 549 T CA 1.692 64.028 62.100 0.394 0.000 1.137 549 T CB -0.343 68.576 68.868 0.085 0.000 0.860 549 T HN 0.263 nan 8.240 nan 0.000 0.468 550 V N 0.348 120.511 119.914 0.416 0.000 2.788 550 V HA 0.146 4.265 4.120 -0.002 0.000 0.251 550 V C 2.271 178.367 176.094 0.003 0.000 1.068 550 V CA 1.023 63.425 62.300 0.170 0.000 1.090 550 V CB -0.296 31.582 31.823 0.092 0.000 0.710 550 V HN 0.516 nan 8.190 nan 0.000 0.467 551 L N -0.813 120.484 121.223 0.123 0.000 2.093 551 L HA -0.161 4.178 4.340 -0.002 0.000 0.208 551 L C 2.381 179.361 176.870 0.183 0.000 1.085 551 L CA 2.130 57.041 54.840 0.119 0.000 0.755 551 L CB -0.751 41.384 42.059 0.126 0.000 0.904 551 L HN 0.682 nan 8.230 nan 0.000 0.435 552 W N 2.853 124.183 121.300 0.049 0.000 2.302 552 W HA -0.174 4.485 4.660 -0.002 0.000 0.320 552 W C -0.962 175.574 176.519 0.028 0.000 1.241 552 W CA 1.633 59.013 57.345 0.059 0.000 1.264 552 W CB -2.262 27.266 29.460 0.114 0.000 1.154 552 W HN 0.056 nan 8.180 nan 0.000 0.483 553 P HA -0.131 nan 4.420 nan 0.000 0.219 553 P C 2.190 179.467 177.300 -0.039 0.000 1.150 553 P CA 1.965 64.798 63.100 -0.445 0.000 0.814 553 P CB -0.333 30.317 31.700 -1.750 0.000 0.787 554 L N -0.816 120.363 121.223 -0.074 0.000 2.217 554 L HA -0.082 4.257 4.340 -0.002 0.000 0.211 554 L C 2.253 179.193 176.870 0.117 0.000 1.107 554 L CA 1.142 56.004 54.840 0.037 0.000 0.783 554 L CB -0.634 41.444 42.059 0.031 0.000 0.919 554 L HN 0.120 nan 8.230 nan 0.000 0.442 555 N N 0.147 118.938 118.700 0.151 0.000 2.333 555 N HA -0.151 4.588 4.740 -0.002 0.000 0.178 555 N C 1.748 177.368 175.510 0.183 0.000 1.018 555 N CA 0.822 53.968 53.050 0.160 0.000 0.882 555 N CB 0.441 39.026 38.487 0.163 0.000 0.984 555 N HN 0.116 nan 8.380 nan 0.000 0.434 556 K N 0.716 121.264 120.400 0.247 0.000 2.244 556 K HA 0.038 4.357 4.320 -0.002 0.000 0.200 556 K C 0.870 177.587 176.600 0.194 0.000 1.052 556 K CA 0.697 57.126 56.287 0.236 0.000 0.980 556 K CB -0.084 32.618 32.500 0.336 0.000 0.838 556 K HN 0.040 nan 8.250 nan 0.000 0.481 557 V N -1.568 118.522 119.914 0.294 0.000 4.614 557 V HA -0.289 3.830 4.120 -0.002 0.000 0.246 557 V C 0.824 176.915 176.094 -0.005 0.000 0.564 557 V CA 1.143 63.599 62.300 0.261 0.000 0.790 557 V CB -2.846 29.055 31.823 0.132 0.000 0.747 557 V HN 0.482 nan 8.190 nan 0.000 1.119 558 G N -0.301 108.375 108.800 -0.207 0.000 2.752 558 G HA2 0.215 4.173 3.960 -0.002 0.000 0.349 558 G HA3 0.215 4.173 3.960 -0.002 0.000 0.349 558 G C 1.552 176.351 174.900 -0.169 0.000 1.181 558 G CA 1.395 46.354 45.100 -0.235 0.000 0.949 558 G HN 3.089 nan 8.290 nan 0.000 0.562 559 G N -1.886 106.662 108.800 -0.420 0.000 2.358 559 G HA2 0.655 4.614 3.960 -0.002 0.000 0.301 559 G HA3 0.655 4.614 3.960 -0.002 0.000 0.301 559 G C -0.712 173.747 174.900 -0.735 0.000 1.539 559 G CA 0.618 45.491 45.100 -0.379 0.000 0.893 559 G HN 1.814 nan 8.290 nan 0.000 0.636 560 E N -1.789 118.348 120.200 -0.104 0.000 7.836 560 E HA -0.062 4.287 4.350 -0.002 0.000 0.464 560 E C -1.160 175.570 176.600 0.217 0.000 0.603 560 E CA 0.929 57.368 56.400 0.065 0.000 1.065 560 E CB -0.608 29.012 29.700 -0.134 0.000 0.978 560 E HN 0.734 nan 8.360 nan 0.000 0.262 561 F N 1.972 121.891 119.950 -0.051 0.000 2.588 561 F HA 0.707 5.233 4.527 -0.002 0.000 0.314 561 F C 0.046 175.859 175.800 0.022 0.000 1.069 561 F CA -1.554 56.440 58.000 -0.010 0.000 0.931 561 F CB 1.139 40.125 39.000 -0.022 0.000 1.260 561 F HN 0.435 nan 8.300 nan 0.000 0.465 562 L N 0.681 122.014 121.223 0.184 0.000 0.602 562 L HA -0.215 4.124 4.340 -0.002 0.000 0.356 562 L C -2.728 174.222 176.870 0.133 0.000 1.022 562 L CA 0.090 55.017 54.840 0.146 0.000 1.223 562 L CB -0.970 41.177 42.059 0.147 0.000 0.024 562 L HN 0.417 nan 8.230 nan 0.000 0.098 563 P HA 0.339 nan 4.420 nan 0.000 0.298 563 P C -1.760 175.597 177.300 0.096 0.000 1.334 563 P CA -0.674 62.493 63.100 0.112 0.000 0.942 563 P CB 1.637 33.401 31.700 0.107 0.000 1.162 564 Q N 2.401 122.252 119.800 0.086 0.000 2.390 564 Q HA 0.341 4.680 4.340 -0.002 0.000 0.249 564 Q C -0.120 175.920 176.000 0.067 0.000 0.996 564 Q CA -0.442 55.404 55.803 0.072 0.000 0.899 564 Q CB 0.461 29.238 28.738 0.064 0.000 1.216 564 Q HN 0.512 nan 8.270 nan 0.000 0.465 565 I N 2.706 123.315 120.570 0.066 0.000 2.779 565 I HA 0.021 4.189 4.170 -0.002 0.000 0.285 565 I C 0.804 176.955 176.117 0.056 0.000 1.134 565 I CA -0.160 61.176 61.300 0.060 0.000 1.398 565 I CB 0.606 38.641 38.000 0.059 0.000 1.404 565 I HN 0.460 nan 8.210 nan 0.000 0.587 566 N N 5.341 124.071 118.700 0.050 0.000 2.419 566 N HA 0.169 4.907 4.740 -0.002 0.000 0.264 566 N C -1.016 174.522 175.510 0.047 0.000 1.031 566 N CA -0.136 52.942 53.050 0.046 0.000 0.951 566 N CB 0.773 39.281 38.487 0.034 0.000 1.101 566 N HN 0.511 nan 8.380 nan 0.000 0.488 567 E N 1.181 121.416 120.200 0.057 0.000 2.195 567 E HA 0.320 4.669 4.350 -0.002 0.000 0.271 567 E C 0.871 177.500 176.600 0.049 0.000 0.923 567 E CA -1.029 55.405 56.400 0.056 0.000 0.790 567 E CB 1.208 30.958 29.700 0.084 0.000 1.155 567 E HN 0.689 nan 8.360 nan 0.000 0.402 568 G N 2.541 111.355 108.800 0.022 0.000 2.537 568 G HA2 -0.200 3.759 3.960 -0.002 0.000 0.220 568 G HA3 -0.200 3.759 3.960 -0.002 0.000 0.220 568 G C -0.048 174.872 174.900 0.034 0.000 1.111 568 G CA 1.036 46.145 45.100 0.015 0.000 0.748 568 G HN 0.474 nan 8.290 nan 0.000 0.564 569 D N -1.687 118.748 120.400 0.058 0.000 2.654 569 D HA 0.716 5.355 4.640 -0.002 0.000 0.255 569 D C -0.415 175.973 176.300 0.146 0.000 1.101 569 D CA -0.640 53.422 54.000 0.103 0.000 1.116 569 D CB 1.470 42.343 40.800 0.122 0.000 1.348 569 D HN -0.084 nan 8.370 nan 0.000 0.609 570 L N 0.668 122.000 121.223 0.181 0.000 2.455 570 L HA 0.384 4.723 4.340 -0.002 0.000 0.264 570 L C -1.420 175.552 176.870 0.170 0.000 0.968 570 L CA -0.924 54.039 54.840 0.206 0.000 0.827 570 L CB 1.791 44.031 42.059 0.302 0.000 1.317 570 L HN 0.154 nan 8.230 nan 0.000 0.407 571 L N 3.043 124.335 121.223 0.116 0.000 2.282 571 L HA 0.367 4.706 4.340 -0.002 0.000 0.288 571 L C -0.914 175.921 176.870 -0.059 0.000 1.033 571 L CA -0.426 54.432 54.840 0.029 0.000 0.807 571 L CB 1.580 43.634 42.059 -0.008 0.000 1.209 571 L HN 0.467 nan 8.230 nan 0.000 0.423 572 Y N 5.587 125.684 120.300 -0.338 0.000 2.353 572 Y HA 0.500 5.049 4.550 -0.002 0.000 0.340 572 Y C -0.684 174.960 175.900 -0.426 0.000 0.972 572 Y CA -1.243 56.468 58.100 -0.649 0.000 1.157 572 Y CB 1.226 39.185 38.460 -0.836 0.000 1.157 572 Y HN 0.529 nan 8.280 nan 0.000 0.495 573 M N 9.734 129.388 119.600 0.092 0.000 2.267 573 M HA 0.414 4.892 4.480 -0.002 0.000 0.289 573 M C -2.831 173.502 176.300 0.055 0.000 1.043 573 M CA -1.531 53.802 55.300 0.054 0.000 0.928 573 M CB 2.954 35.525 32.600 -0.049 0.000 1.613 573 M HN 0.407 nan 8.290 nan 0.000 0.450 574 P HA 0.445 nan 4.420 nan 0.000 0.293 574 P C -1.259 176.048 177.300 0.013 0.000 1.305 574 P CA -0.786 62.363 63.100 0.082 0.000 0.874 574 P CB 1.143 32.940 31.700 0.161 0.000 1.288 575 S N -0.294 115.412 115.700 0.010 0.000 2.400 575 S HA 0.379 4.848 4.470 -0.002 0.000 0.295 575 S C 0.205 174.800 174.600 -0.008 0.000 1.113 575 S CA -0.044 58.152 58.200 -0.007 0.000 1.064 575 S CB -0.585 62.612 63.200 -0.004 0.000 0.990 575 S HN 0.422 nan 8.310 nan 0.000 0.502 576 T N 3.590 118.129 114.554 -0.025 0.000 2.945 576 T HA 0.564 4.913 4.350 -0.002 0.000 0.286 576 T C -0.181 174.496 174.700 -0.039 0.000 1.025 576 T CA -0.826 61.254 62.100 -0.033 0.000 1.039 576 T CB 0.326 69.164 68.868 -0.049 0.000 1.068 576 T HN 0.419 nan 8.240 nan 0.000 0.497 577 L N 5.433 126.631 121.223 -0.042 0.000 2.371 577 L HA 0.274 4.613 4.340 -0.002 0.000 0.272 577 L C -1.166 175.668 176.870 -0.060 0.000 1.124 577 L CA -1.924 52.887 54.840 -0.047 0.000 0.816 577 L CB 1.173 43.206 42.059 -0.043 0.000 1.129 577 L HN 0.606 nan 8.230 nan 0.000 0.448 578 P HA -0.189 nan 4.420 nan 0.000 0.216 578 P C 0.396 177.642 177.300 -0.089 0.000 1.167 578 P CA 1.071 64.125 63.100 -0.077 0.000 0.933 578 P CB 0.109 31.756 31.700 -0.089 0.000 0.793 579 G N -0.559 108.185 108.800 -0.093 0.000 2.417 579 G HA2 0.615 4.574 3.960 -0.002 0.000 0.320 579 G HA3 0.615 4.574 3.960 -0.002 0.000 0.320 579 G C -0.839 174.007 174.900 -0.090 0.000 1.204 579 G CA -0.419 44.619 45.100 -0.104 0.000 0.923 579 G HN 0.295 nan 8.290 nan 0.000 0.466 580 I N -0.567 119.944 120.570 -0.098 0.000 3.006 580 I HA 0.656 4.825 4.170 -0.002 0.000 0.306 580 I C -0.245 175.820 176.117 -0.087 0.000 1.250 580 I CA -0.949 60.302 61.300 -0.082 0.000 0.996 580 I CB 2.206 40.162 38.000 -0.074 0.000 1.261 580 I HN 0.353 nan 8.210 nan 0.000 0.442 581 S N 2.739 118.398 115.700 -0.069 0.000 2.572 581 S HA 0.328 4.797 4.470 -0.002 0.000 0.279 581 S C 1.195 175.757 174.600 -0.063 0.000 1.341 581 S CA 0.004 58.167 58.200 -0.062 0.000 1.043 581 S CB 1.498 64.671 63.200 -0.045 0.000 0.887 581 S HN 0.849 nan 8.310 nan 0.000 0.516 582 A N 1.992 124.776 122.820 -0.059 0.000 2.015 582 A HA 0.111 4.430 4.320 -0.002 0.000 0.219 582 A C 2.189 179.748 177.584 -0.041 0.000 1.163 582 A CA 1.384 53.392 52.037 -0.049 0.000 0.646 582 A CB -1.007 17.972 19.000 -0.036 0.000 0.806 582 A HN 0.929 nan 8.150 nan 0.000 0.448 583 A N -0.310 122.489 122.820 -0.035 0.000 1.872 583 A HA -0.131 4.188 4.320 -0.002 0.000 0.214 583 A C 1.986 179.547 177.584 -0.037 0.000 1.187 583 A CA 1.638 53.657 52.037 -0.031 0.000 0.614 583 A CB -0.508 18.477 19.000 -0.024 0.000 0.826 583 A HN 0.590 nan 8.150 nan 0.000 0.442 584 E N -0.281 119.895 120.200 -0.041 0.000 2.153 584 E HA -0.097 4.252 4.350 -0.002 0.000 0.194 584 E C 2.100 178.668 176.600 -0.053 0.000 0.988 584 E CA 0.873 57.247 56.400 -0.044 0.000 0.811 584 E CB -0.204 29.470 29.700 -0.044 0.000 0.746 584 E HN 0.568 nan 8.360 nan 0.000 0.466 585 A N 1.047 123.831 122.820 -0.060 0.000 1.858 585 A HA -0.086 4.233 4.320 -0.002 0.000 0.216 585 A C 2.359 179.897 177.584 -0.076 0.000 1.190 585 A CA 1.684 53.678 52.037 -0.072 0.000 0.617 585 A CB -0.744 18.212 19.000 -0.074 0.000 0.827 585 A HN 0.368 nan 8.150 nan 0.000 0.443 586 A N -0.879 121.902 122.820 -0.065 0.000 2.121 586 A HA 0.033 4.351 4.320 -0.002 0.000 0.218 586 A C 2.337 179.885 177.584 -0.060 0.000 1.154 586 A CA 1.952 53.950 52.037 -0.065 0.000 0.679 586 A CB -0.585 18.384 19.000 -0.051 0.000 0.795 586 A HN 0.613 nan 8.150 nan 0.000 0.458 587 S N -0.592 115.076 115.700 -0.053 0.000 2.327 587 S HA 0.001 4.470 4.470 -0.002 0.000 0.213 587 S C 1.769 176.337 174.600 -0.054 0.000 1.032 587 S CA 0.984 59.157 58.200 -0.046 0.000 0.960 587 S CB -0.381 62.797 63.200 -0.037 0.000 0.900 587 S HN 0.478 nan 8.310 nan 0.000 0.469 588 M N 1.254 120.818 119.600 -0.060 0.000 2.800 588 M HA 0.060 4.539 4.480 -0.002 0.000 0.235 588 M C 1.147 177.388 176.300 -0.098 0.000 1.057 588 M CA 0.331 55.590 55.300 -0.068 0.000 1.066 588 M CB -0.115 32.446 32.600 -0.065 0.000 1.558 588 M HN 0.431 nan 8.290 nan 0.000 0.551 589 L N -1.236 119.927 121.223 -0.101 0.000 2.547 589 L HA 0.080 4.419 4.340 -0.002 0.000 0.218 589 L C 2.056 178.865 176.870 -0.102 0.000 1.048 589 L CA 1.065 55.828 54.840 -0.130 0.000 0.859 589 L CB -0.272 41.701 42.059 -0.142 0.000 1.128 589 L HN 0.171 nan 8.230 nan 0.000 0.483 590 Q N 0.133 119.888 119.800 -0.074 0.000 2.020 590 Q HA -0.279 4.060 4.340 -0.002 0.000 0.202 590 Q C 2.200 178.176 176.000 -0.040 0.000 0.982 590 Q CA 2.300 58.072 55.803 -0.052 0.000 0.838 590 Q CB -0.133 28.583 28.738 -0.038 0.000 0.899 590 Q HN 0.457 nan 8.270 nan 0.000 0.423 591 K N -0.628 119.750 120.400 -0.036 0.000 2.034 591 K HA -0.199 4.119 4.320 -0.002 0.000 0.214 591 K C 2.007 178.594 176.600 -0.021 0.000 1.051 591 K CA 2.001 58.275 56.287 -0.023 0.000 0.931 591 K CB -0.320 32.167 32.500 -0.021 0.000 0.715 591 K HN 0.210 nan 8.250 nan 0.000 0.446 592 T N 1.228 115.753 114.554 -0.048 0.000 2.803 592 T HA -0.122 4.227 4.350 -0.002 0.000 0.269 592 T C 0.945 175.623 174.700 -0.036 0.000 1.052 592 T CA 1.678 63.743 62.100 -0.058 0.000 1.136 592 T CB -0.225 68.542 68.868 -0.168 0.000 0.864 592 T HN 0.300 nan 8.240 nan 0.000 0.467 593 D N 0.234 120.607 120.400 -0.045 0.000 2.349 593 D HA 0.089 4.727 4.640 -0.002 0.000 0.224 593 D C 1.836 178.142 176.300 0.009 0.000 1.029 593 D CA 0.558 54.547 54.000 -0.019 0.000 0.879 593 D CB 0.165 40.944 40.800 -0.034 0.000 0.906 593 D HN 0.398 nan 8.370 nan 0.000 0.528 594 K N -0.591 119.815 120.400 0.009 0.000 2.329 594 K HA 0.203 4.521 4.320 -0.002 0.000 0.198 594 K C 2.019 178.636 176.600 0.029 0.000 1.085 594 K CA -0.050 56.246 56.287 0.016 0.000 0.961 594 K CB 0.652 33.156 32.500 0.007 0.000 0.971 594 K HN 0.012 nan 8.250 nan 0.000 0.502 595 L N 1.379 122.627 121.223 0.041 0.000 1.988 595 L HA -0.147 4.191 4.340 -0.002 0.000 0.207 595 L C 2.263 179.186 176.870 0.088 0.000 1.071 595 L CA 1.071 55.948 54.840 0.061 0.000 0.744 595 L CB -0.629 41.476 42.059 0.078 0.000 0.893 595 L HN 0.156 nan 8.230 nan 0.000 0.433 596 I N -0.363 120.283 120.570 0.127 0.000 2.315 596 I HA -0.320 3.849 4.170 -0.002 0.000 0.251 596 I C 2.533 178.713 176.117 0.104 0.000 1.125 596 I CA 1.585 62.986 61.300 0.169 0.000 1.392 596 I CB -0.781 37.346 38.000 0.211 0.000 1.065 596 I HN 0.361 nan 8.210 nan 0.000 0.424 597 M N 1.052 120.692 119.600 0.066 0.000 2.254 597 M HA -0.138 4.341 4.480 -0.002 0.000 0.265 597 M C 2.610 178.917 176.300 0.012 0.000 1.066 597 M CA 1.728 57.050 55.300 0.036 0.000 1.123 597 M CB -0.714 31.900 32.600 0.024 0.000 1.388 597 M HN 0.378 nan 8.290 nan 0.000 0.425 598 S N -0.425 115.285 115.700 0.017 0.000 2.359 598 S HA -0.096 4.372 4.470 -0.002 0.000 0.222 598 S C 1.000 175.593 174.600 -0.012 0.000 1.038 598 S CA 0.970 59.170 58.200 0.000 0.000 1.051 598 S CB -1.373 61.834 63.200 0.011 0.000 0.944 598 S HN 0.245 nan 8.310 nan 0.000 0.433 599 V N 4.705 124.623 119.914 0.007 0.000 2.717 599 V HA -0.001 4.118 4.120 -0.002 0.000 0.302 599 V C -1.302 174.772 176.094 -0.033 0.000 1.097 599 V CA 0.191 62.489 62.300 -0.004 0.000 1.262 599 V CB 0.262 32.096 31.823 0.017 0.000 0.846 599 V HN 0.524 nan 8.190 nan 0.000 0.485 600 P HA 0.039 nan 4.420 nan 0.000 0.249 600 P C 1.059 178.282 177.300 -0.128 0.000 1.229 600 P CA 0.342 63.360 63.100 -0.136 0.000 0.788 600 P CB 0.452 32.080 31.700 -0.121 0.000 1.072 601 E N 0.186 120.363 120.200 -0.039 0.000 2.166 601 E HA 0.019 4.368 4.350 -0.002 0.000 0.192 601 E C 0.542 177.148 176.600 0.011 0.000 0.967 601 E CA 0.096 56.503 56.400 0.011 0.000 0.840 601 E CB 0.262 29.979 29.700 0.028 0.000 0.795 601 E HN 0.025 nan 8.360 nan 0.000 0.470 602 V N -0.799 119.121 119.914 0.010 0.000 2.843 602 V HA 0.361 4.480 4.120 -0.002 0.000 0.305 602 V C 0.563 176.662 176.094 0.008 0.000 1.065 602 V CA 0.277 62.597 62.300 0.033 0.000 1.116 602 V CB 1.280 33.141 31.823 0.064 0.000 0.968 602 V HN 0.204 nan 8.190 nan 0.000 0.487 603 A N 5.051 127.887 122.820 0.027 0.000 2.686 603 A HA 0.467 4.786 4.320 -0.002 0.000 0.221 603 A C 1.259 178.859 177.584 0.026 0.000 2.249 603 A CA -0.163 51.884 52.037 0.016 0.000 1.005 603 A CB -0.042 18.975 19.000 0.028 0.000 1.391 603 A HN 0.822 nan 8.150 nan 0.000 0.536 604 R N -0.903 119.623 120.500 0.042 0.000 2.536 604 R HA 0.613 4.952 4.340 -0.002 0.000 0.279 604 R C -1.559 174.794 176.300 0.088 0.000 1.001 604 R CA -0.347 55.786 56.100 0.055 0.000 1.027 604 R CB 1.670 31.994 30.300 0.040 0.000 1.096 604 R HN 0.287 nan 8.270 nan 0.000 0.502 605 V N 2.546 122.527 119.914 0.111 0.000 2.841 605 V HA 0.469 4.588 4.120 -0.002 0.000 0.310 605 V C -1.365 174.871 176.094 0.235 0.000 1.090 605 V CA -0.763 61.625 62.300 0.147 0.000 0.930 605 V CB 2.104 33.991 31.823 0.107 0.000 1.014 605 V HN 0.536 nan 8.190 nan 0.000 0.425 606 F N 1.968 121.925 119.950 0.011 0.000 2.547 606 F HA 0.814 5.340 4.527 -0.002 0.000 0.316 606 F C 0.321 176.099 175.800 -0.036 0.000 1.121 606 F CA -0.961 57.034 58.000 -0.008 0.000 0.911 606 F CB 2.095 41.097 39.000 0.003 0.000 1.179 606 F HN 0.552 nan 8.300 nan 0.000 0.443 607 G N 5.434 113.987 108.800 -0.412 0.000 2.468 607 G HA2 0.379 4.338 3.960 -0.002 0.000 0.315 607 G HA3 0.379 4.338 3.960 -0.002 0.000 0.315 607 G C -1.406 173.209 174.900 -0.475 0.000 1.203 607 G CA -0.640 44.245 45.100 -0.358 0.000 0.962 607 G HN 0.542 nan 8.290 nan 0.000 0.476 608 K N 2.408 122.596 120.400 -0.353 0.000 2.339 608 K HA 0.404 4.723 4.320 -0.002 0.000 0.264 608 K C -0.642 175.841 176.600 -0.195 0.000 0.986 608 K CA -0.453 55.669 56.287 -0.274 0.000 0.866 608 K CB 1.067 33.451 32.500 -0.193 0.000 1.103 608 K HN 0.328 nan 8.250 nan 0.000 0.441 609 T N 2.511 116.965 114.554 -0.166 0.000 3.378 609 T HA 0.460 4.809 4.350 -0.002 0.000 0.359 609 T C -0.136 174.512 174.700 -0.086 0.000 1.815 609 T CA -0.468 61.552 62.100 -0.134 0.000 1.509 609 T CB 0.877 69.661 68.868 -0.139 0.000 1.049 609 T HN 0.888 nan 8.240 nan 0.000 0.705 610 G N 1.904 110.666 108.800 -0.063 0.000 2.352 610 G HA2 0.229 4.187 3.960 -0.002 0.000 0.283 610 G HA3 0.229 4.187 3.960 -0.002 0.000 0.283 610 G C -1.498 173.411 174.900 0.015 0.000 1.308 610 G CA -1.074 44.017 45.100 -0.015 0.000 0.892 610 G HN 0.511 nan 8.290 nan 0.000 0.504 611 K N -0.922 119.516 120.400 0.063 0.000 2.098 611 K HA 0.776 5.095 4.320 -0.002 0.000 0.244 611 K C -0.134 176.523 176.600 0.095 0.000 1.014 611 K CA -0.095 56.252 56.287 0.101 0.000 0.917 611 K CB 2.072 34.669 32.500 0.162 0.000 1.072 611 K HN 1.620 nan 8.250 nan 0.000 0.477 612 A N 1.729 124.629 122.820 0.134 0.000 3.410 612 A HA 0.287 4.606 4.320 -0.002 0.000 0.276 612 A C -0.639 176.981 177.584 0.060 0.000 0.995 612 A CA -0.503 51.597 52.037 0.105 0.000 0.934 612 A CB -0.085 19.013 19.000 0.164 0.000 1.191 612 A HN 0.815 nan 8.150 nan 0.000 0.511 613 E N -0.748 119.479 120.200 0.045 0.000 3.253 613 E HA -0.157 4.192 4.350 -0.002 0.000 0.284 613 E C 0.216 176.803 176.600 -0.021 0.000 0.958 613 E CA 1.948 58.348 56.400 0.000 0.000 0.917 613 E CB -1.917 27.753 29.700 -0.050 0.000 1.466 613 E HN 0.611 nan 8.360 nan 0.000 0.455 614 T N -1.124 113.438 114.554 0.012 0.000 2.863 614 T HA 0.638 4.987 4.350 -0.002 0.000 0.285 614 T C 0.917 175.651 174.700 0.057 0.000 1.009 614 T CA -0.046 62.049 62.100 -0.008 0.000 0.989 614 T CB 1.605 70.416 68.868 -0.095 0.000 1.004 614 T HN 0.089 nan 8.240 nan 0.000 0.455 615 A N 2.405 125.247 122.820 0.038 0.000 2.264 615 A HA 0.075 4.393 4.320 -0.002 0.000 0.207 615 A C 1.892 179.457 177.584 -0.033 0.000 1.196 615 A CA 0.993 53.048 52.037 0.030 0.000 0.778 615 A CB -0.696 18.330 19.000 0.044 0.000 0.779 615 A HN 0.786 nan 8.150 nan 0.000 0.483 616 T N -0.496 114.098 114.554 0.067 0.000 2.837 616 T HA -0.010 4.339 4.350 -0.002 0.000 0.248 616 T C 0.658 175.397 174.700 0.065 0.000 1.033 616 T CA 0.554 62.738 62.100 0.140 0.000 1.150 616 T CB -0.247 68.874 68.868 0.422 0.000 0.865 616 T HN 0.468 nan 8.240 nan 0.000 0.425 617 D N 2.745 123.252 120.400 0.179 0.000 2.389 617 D HA 0.060 4.699 4.640 -0.002 0.000 0.263 617 D C 0.041 176.313 176.300 -0.048 0.000 1.255 617 D CA 0.017 54.071 54.000 0.090 0.000 0.914 617 D CB 0.311 41.252 40.800 0.234 0.000 1.116 617 D HN 0.287 nan 8.370 nan 0.000 0.502 618 S N 2.185 117.844 115.700 -0.068 0.000 2.457 618 S HA 0.561 5.030 4.470 -0.002 0.000 0.237 618 S C -0.007 174.715 174.600 0.204 0.000 1.213 618 S CA -0.896 57.292 58.200 -0.021 0.000 1.218 618 S CB 0.615 63.749 63.200 -0.109 0.000 0.922 618 S HN 0.428 nan 8.310 nan 0.000 0.488 619 A N 2.297 125.200 122.820 0.139 0.000 2.271 619 A HA 0.819 5.137 4.320 -0.002 0.000 0.317 619 A C -2.603 175.036 177.584 0.092 0.000 1.245 619 A CA -1.944 50.143 52.037 0.083 0.000 0.857 619 A CB 0.470 19.477 19.000 0.012 0.000 1.175 619 A HN 0.363 nan 8.150 nan 0.000 0.512 620 P HA 0.028 nan 4.420 nan 0.000 0.281 620 P C 0.810 178.116 177.300 0.010 0.000 1.274 620 P CA -0.292 62.840 63.100 0.053 0.000 0.794 620 P CB 0.509 32.222 31.700 0.021 0.000 1.201 621 L N -0.413 120.799 121.223 -0.018 0.000 2.558 621 L HA 0.013 4.352 4.340 -0.002 0.000 0.225 621 L C 1.672 178.503 176.870 -0.066 0.000 1.128 621 L CA 1.394 56.208 54.840 -0.042 0.000 0.868 621 L CB -0.820 41.208 42.059 -0.052 0.000 1.006 621 L HN 0.254 nan 8.230 nan 0.000 0.454 622 E N -1.432 118.729 120.200 -0.066 0.000 2.299 622 E HA -0.017 4.332 4.350 -0.002 0.000 0.193 622 E C 0.721 177.273 176.600 -0.080 0.000 0.998 622 E CA 0.235 56.590 56.400 -0.075 0.000 0.851 622 E CB -0.043 29.615 29.700 -0.069 0.000 0.795 622 E HN 0.217 nan 8.360 nan 0.000 0.492 623 M N 2.439 121.997 119.600 -0.070 0.000 2.341 623 M HA 0.090 4.568 4.480 -0.002 0.000 0.336 623 M C -0.534 175.700 176.300 -0.110 0.000 1.489 623 M CA -0.033 55.219 55.300 -0.080 0.000 1.278 623 M CB 0.735 33.300 32.600 -0.059 0.000 1.657 623 M HN -0.007 nan 8.290 nan 0.000 0.455 624 V N 6.478 126.305 119.914 -0.145 0.000 2.368 624 V HA 0.295 4.414 4.120 -0.002 0.000 0.266 624 V C -0.335 175.623 176.094 -0.227 0.000 1.045 624 V CA -0.107 62.066 62.300 -0.211 0.000 0.899 624 V CB 1.071 32.719 31.823 -0.291 0.000 1.006 624 V HN 0.879 nan 8.190 nan 0.000 0.470 625 E N 5.065 125.142 120.200 -0.205 0.000 2.235 625 E HA 0.473 4.822 4.350 -0.002 0.000 0.252 625 E C -0.706 175.791 176.600 -0.172 0.000 0.886 625 E CA -0.554 55.739 56.400 -0.179 0.000 0.767 625 E CB 1.326 30.928 29.700 -0.163 0.000 1.205 625 E HN 0.813 nan 8.360 nan 0.000 0.421 626 T N 1.252 115.709 114.554 -0.162 0.000 2.770 626 T HA 0.307 4.656 4.350 -0.002 0.000 0.283 626 T C 0.172 174.878 174.700 0.010 0.000 0.988 626 T CA -0.695 61.347 62.100 -0.097 0.000 0.957 626 T CB 1.509 70.294 68.868 -0.138 0.000 0.930 626 T HN 0.181 nan 8.240 nan 0.000 0.443 627 T N 4.217 118.832 114.554 0.102 0.000 2.779 627 T HA 0.375 4.724 4.350 -0.002 0.000 0.296 627 T C 0.107 174.922 174.700 0.192 0.000 0.938 627 T CA -0.288 61.912 62.100 0.167 0.000 1.119 627 T CB -0.258 68.744 68.868 0.223 0.000 0.891 627 T HN 0.570 nan 8.240 nan 0.000 0.526 628 I N 4.731 125.411 120.570 0.183 0.000 2.337 628 I HA 0.214 4.383 4.170 -0.002 0.000 0.285 628 I C 0.653 176.864 176.117 0.157 0.000 1.041 628 I CA -0.548 60.856 61.300 0.174 0.000 1.199 628 I CB 1.073 39.196 38.000 0.205 0.000 1.370 628 I HN 0.413 nan 8.210 nan 0.000 0.470 629 Q N 6.097 125.973 119.800 0.127 0.000 2.296 629 Q HA 0.372 4.711 4.340 -0.002 0.000 0.262 629 Q C -0.770 175.271 176.000 0.069 0.000 0.981 629 Q CA -0.120 55.731 55.803 0.079 0.000 0.905 629 Q CB 1.704 30.472 28.738 0.050 0.000 1.186 629 Q HN 0.557 nan 8.270 nan 0.000 0.399 630 L N 3.551 124.809 121.223 0.058 0.000 2.282 630 L HA 0.314 4.652 4.340 -0.002 0.000 0.288 630 L C 0.221 177.120 176.870 0.049 0.000 1.033 630 L CA -0.424 54.450 54.840 0.057 0.000 0.807 630 L CB 1.190 43.285 42.059 0.060 0.000 1.209 630 L HN 0.464 nan 8.230 nan 0.000 0.423 631 K N 5.631 126.064 120.400 0.056 0.000 2.485 631 K HA 0.094 4.413 4.320 -0.002 0.000 0.277 631 K C -2.064 174.587 176.600 0.085 0.000 0.990 631 K CA -0.999 55.334 56.287 0.076 0.000 0.994 631 K CB 0.520 33.075 32.500 0.092 0.000 0.906 631 K HN 0.267 nan 8.250 nan 0.000 0.488 632 P HA -0.060 nan 4.420 nan 0.000 0.270 632 P C -0.363 176.985 177.300 0.079 0.000 1.227 632 P CA -0.009 63.131 63.100 0.067 0.000 0.788 632 P CB 0.656 32.391 31.700 0.060 0.000 0.926 633 Q N 0.276 120.105 119.800 0.049 0.000 2.408 633 Q HA -0.051 4.288 4.340 -0.002 0.000 0.205 633 Q C 1.916 177.930 176.000 0.024 0.000 0.919 633 Q CA 0.825 56.654 55.803 0.043 0.000 0.932 633 Q CB -0.189 28.562 28.738 0.022 0.000 1.058 633 Q HN 0.626 nan 8.270 nan 0.000 0.517 634 E N 0.604 120.806 120.200 0.004 0.000 2.097 634 E HA -0.200 4.149 4.350 -0.002 0.000 0.196 634 E C 0.043 176.598 176.600 -0.074 0.000 1.000 634 E CA 0.760 57.136 56.400 -0.041 0.000 0.804 634 E CB -0.282 29.385 29.700 -0.054 0.000 0.740 634 E HN 0.374 nan 8.360 nan 0.000 0.454 635 Q N -0.610 119.188 119.800 -0.002 0.000 2.293 635 Q HA 0.122 4.461 4.340 -0.002 0.000 0.251 635 Q C -0.146 175.997 176.000 0.240 0.000 0.930 635 Q CA -0.273 55.602 55.803 0.119 0.000 0.893 635 Q CB 1.169 30.232 28.738 0.541 0.000 1.215 635 Q HN 0.382 nan 8.270 nan 0.000 0.425 636 W N 1.683 122.982 121.300 -0.001 0.000 1.807 636 W HA 0.255 4.914 4.660 -0.002 0.000 0.251 636 W C -0.494 176.024 176.519 -0.002 0.000 0.848 636 W CA -0.105 57.241 57.345 0.001 0.000 1.157 636 W CB 1.224 30.686 29.460 0.004 0.000 0.992 636 W HN 0.534 nan 8.180 nan 0.000 0.506 637 R N 1.226 121.816 120.500 0.150 0.000 2.795 637 R HA 0.518 4.857 4.340 -0.002 0.000 0.275 637 R C -2.080 174.242 176.300 0.037 0.000 0.981 637 R CA -1.231 54.926 56.100 0.096 0.000 0.917 637 R CB 1.315 31.673 30.300 0.097 0.000 1.202 637 R HN -0.220 nan 8.270 nan 0.000 0.469 638 P HA 0.363 nan 4.420 nan 0.000 0.297 638 P C 0.280 177.583 177.300 0.006 0.000 1.307 638 P CA -0.103 63.002 63.100 0.008 0.000 0.773 638 P CB 0.336 32.040 31.700 0.008 0.000 1.265 639 G N 0.219 109.018 108.800 -0.002 0.000 2.700 639 G HA2 -0.349 3.610 3.960 -0.002 0.000 0.350 639 G HA3 -0.349 3.610 3.960 -0.002 0.000 0.350 639 G C 0.367 175.259 174.900 -0.013 0.000 1.250 639 G CA 1.113 46.208 45.100 -0.009 0.000 0.978 639 G HN 0.730 nan 8.290 nan 0.000 0.551 640 M N 1.211 120.804 119.600 -0.013 0.000 4.007 640 M HA -0.148 4.331 4.480 -0.002 0.000 0.157 640 M C 0.844 177.130 176.300 -0.023 0.000 1.527 640 M CA 1.601 56.892 55.300 -0.016 0.000 1.085 640 M CB -2.005 30.596 32.600 0.002 0.000 1.344 640 M HN 1.414 nan 8.290 nan 0.000 0.235 641 T N 0.603 115.136 114.554 -0.036 0.000 2.952 641 T HA 0.559 4.908 4.350 -0.002 0.000 0.286 641 T C 0.934 175.609 174.700 -0.042 0.000 1.024 641 T CA -0.463 61.613 62.100 -0.041 0.000 1.029 641 T CB 1.479 70.316 68.868 -0.052 0.000 1.094 641 T HN 0.593 nan 8.240 nan 0.000 0.515 642 M N 1.466 121.046 119.600 -0.034 0.000 2.128 642 M HA -0.167 4.312 4.480 -0.002 0.000 0.253 642 M C 1.165 177.433 176.300 -0.053 0.000 1.079 642 M CA 2.315 57.597 55.300 -0.030 0.000 1.082 642 M CB -1.418 31.174 32.600 -0.013 0.000 1.335 642 M HN 0.808 nan 8.290 nan 0.000 0.401 643 D N -0.835 119.533 120.400 -0.055 0.000 2.194 643 D HA -0.076 4.563 4.640 -0.002 0.000 0.204 643 D C 1.848 178.092 176.300 -0.094 0.000 0.964 643 D CA 0.933 54.890 54.000 -0.071 0.000 0.846 643 D CB -0.093 40.675 40.800 -0.053 0.000 0.962 643 D HN 0.304 nan 8.370 nan 0.000 0.490 644 K N 0.236 120.589 120.400 -0.078 0.000 2.283 644 K HA -0.040 4.279 4.320 -0.002 0.000 0.202 644 K C 1.421 177.957 176.600 -0.106 0.000 1.048 644 K CA 0.612 56.851 56.287 -0.081 0.000 0.948 644 K CB 0.028 32.494 32.500 -0.057 0.000 0.742 644 K HN 0.052 nan 8.250 nan 0.000 0.458 645 I N 0.952 121.454 120.570 -0.113 0.000 2.162 645 I HA -0.204 3.965 4.170 -0.002 0.000 0.238 645 I C 1.881 177.836 176.117 -0.270 0.000 1.076 645 I CA 0.837 62.051 61.300 -0.144 0.000 1.353 645 I CB -1.135 36.806 38.000 -0.098 0.000 1.063 645 I HN 0.020 nan 8.210 nan 0.000 0.408 646 I N 1.093 121.478 120.570 -0.308 0.000 2.181 646 I HA -0.340 3.828 4.170 -0.002 0.000 0.247 646 I C 2.507 178.306 176.117 -0.530 0.000 1.081 646 I CA 1.632 62.616 61.300 -0.526 0.000 1.340 646 I CB -1.550 36.247 38.000 -0.339 0.000 1.036 646 I HN 0.477 nan 8.210 nan 0.000 0.417 647 E N 1.153 121.169 120.200 -0.307 0.000 2.017 647 E HA -0.281 4.068 4.350 -0.002 0.000 0.193 647 E C 2.227 178.691 176.600 -0.227 0.000 0.997 647 E CA 1.646 57.907 56.400 -0.231 0.000 0.804 647 E CB -0.162 29.452 29.700 -0.143 0.000 0.757 647 E HN 0.591 nan 8.360 nan 0.000 0.448 648 E N 0.062 120.146 120.200 -0.193 0.000 2.070 648 E HA -0.221 4.127 4.350 -0.002 0.000 0.197 648 E C 2.264 178.757 176.600 -0.179 0.000 1.004 648 E CA 1.126 57.438 56.400 -0.146 0.000 0.805 648 E CB -0.001 29.634 29.700 -0.107 0.000 0.744 648 E HN 0.255 nan 8.360 nan 0.000 0.451 649 L N 1.484 122.516 121.223 -0.317 0.000 1.961 649 L HA -0.184 4.154 4.340 -0.002 0.000 0.210 649 L C 2.520 179.204 176.870 -0.310 0.000 1.072 649 L CA 1.921 56.535 54.840 -0.377 0.000 0.749 649 L CB -1.485 40.058 42.059 -0.860 0.000 0.889 649 L HN 0.329 nan 8.230 nan 0.000 0.432 650 D N -0.013 120.035 120.400 -0.587 0.000 2.239 650 D HA -0.242 4.396 4.640 -0.002 0.000 0.202 650 D C 1.870 178.134 176.300 -0.059 0.000 0.993 650 D CA 1.079 54.933 54.000 -0.243 0.000 0.874 650 D CB 0.005 40.601 40.800 -0.339 0.000 0.922 650 D HN 0.218 nan 8.370 nan 0.000 0.464 651 N N -0.846 117.796 118.700 -0.096 0.000 2.333 651 N HA -0.040 4.699 4.740 -0.002 0.000 0.178 651 N C 1.536 177.048 175.510 0.002 0.000 1.018 651 N CA 1.055 54.082 53.050 -0.038 0.000 0.882 651 N CB -0.177 38.277 38.487 -0.056 0.000 0.984 651 N HN 0.071 nan 8.380 nan 0.000 0.434 652 T N 0.010 114.567 114.554 0.005 0.000 2.668 652 T HA 0.005 4.354 4.350 -0.002 0.000 0.262 652 T C 0.615 175.372 174.700 0.093 0.000 1.045 652 T CA 0.754 62.880 62.100 0.043 0.000 1.152 652 T CB -0.048 68.848 68.868 0.048 0.000 0.864 652 T HN -0.075 nan 8.240 nan 0.000 0.419 653 V N 3.040 123.054 119.914 0.167 0.000 2.267 653 V HA 0.337 4.456 4.120 -0.002 0.000 0.254 653 V C 0.197 176.403 176.094 0.187 0.000 1.144 653 V CA -0.290 62.141 62.300 0.218 0.000 0.992 653 V CB -0.270 31.785 31.823 0.388 0.000 1.199 653 V HN 0.199 nan 8.190 nan 0.000 0.493 654 R N 4.368 124.939 120.500 0.118 0.000 2.494 654 R HA 0.847 5.186 4.340 -0.002 0.000 0.305 654 R C -1.460 174.884 176.300 0.073 0.000 0.959 654 R CA -0.555 55.600 56.100 0.093 0.000 0.864 654 R CB 1.675 32.011 30.300 0.061 0.000 1.159 654 R HN 0.583 nan 8.270 nan 0.000 0.446 655 L N 3.453 124.717 121.223 0.068 0.000 2.720 655 L HA 0.554 4.893 4.340 -0.002 0.000 0.261 655 L C -2.330 174.561 176.870 0.034 0.000 1.046 655 L CA -1.745 53.122 54.840 0.045 0.000 0.886 655 L CB 3.054 45.138 42.059 0.041 0.000 1.493 655 L HN 0.626 nan 8.230 nan 0.000 0.407 656 P HA 0.246 nan 4.420 nan 0.000 0.282 656 P C 0.473 177.777 177.300 0.007 0.000 1.249 656 P CA 0.394 63.501 63.100 0.011 0.000 0.806 656 P CB 1.414 33.115 31.700 0.002 0.000 0.984 657 G N 1.567 110.370 108.800 0.004 0.000 2.228 657 G HA2 -0.231 3.728 3.960 -0.002 0.000 0.270 657 G HA3 -0.231 3.728 3.960 -0.002 0.000 0.270 657 G C -0.028 174.876 174.900 0.007 0.000 0.976 657 G CA 0.153 45.253 45.100 -0.001 0.000 0.636 657 G HN 0.524 nan 8.290 nan 0.000 0.542 658 L N 0.959 122.196 121.223 0.023 0.000 2.277 658 L HA 0.675 5.013 4.340 -0.002 0.000 0.284 658 L C 0.632 177.539 176.870 0.061 0.000 1.028 658 L CA -0.249 54.619 54.840 0.046 0.000 0.835 658 L CB 1.466 43.566 42.059 0.069 0.000 1.215 658 L HN 0.275 nan 8.230 nan 0.000 0.425 659 A N 3.718 126.567 122.820 0.049 0.000 2.289 659 A HA 0.514 4.833 4.320 -0.002 0.000 0.298 659 A C -0.247 177.366 177.584 0.048 0.000 1.208 659 A CA -0.663 51.400 52.037 0.044 0.000 0.845 659 A CB 0.152 19.168 19.000 0.025 0.000 1.125 659 A HN 0.705 nan 8.150 nan 0.000 0.517 660 N N 1.818 120.547 118.700 0.049 0.000 2.444 660 N HA 0.433 5.172 4.740 -0.002 0.000 0.271 660 N C -0.894 174.613 175.510 -0.003 0.000 1.069 660 N CA -0.059 52.973 53.050 -0.031 0.000 0.965 660 N CB 1.495 40.036 38.487 0.090 0.000 1.092 660 N HN 0.671 nan 8.380 nan 0.000 0.476 661 L N 2.090 123.212 121.223 -0.169 0.000 2.362 661 L HA 0.611 4.950 4.340 -0.002 0.000 0.275 661 L C -1.633 175.106 176.870 -0.218 0.000 0.998 661 L CA -0.835 53.978 54.840 -0.046 0.000 0.820 661 L CB 1.146 43.180 42.059 -0.042 0.000 1.270 661 L HN 0.471 nan 8.230 nan 0.000 0.415 662 W N 5.576 126.791 121.300 -0.142 0.000 2.538 662 W HA 0.640 5.299 4.660 -0.002 0.000 0.322 662 W C -0.729 175.762 176.519 -0.047 0.000 1.028 662 W CA -0.643 56.634 57.345 -0.112 0.000 1.228 662 W CB 1.815 31.198 29.460 -0.130 0.000 1.356 662 W HN 0.284 nan 8.180 nan 0.000 0.452 663 V N 1.161 121.152 119.914 0.128 0.000 3.040 663 V HA 0.755 4.874 4.120 -0.002 0.000 0.312 663 V C -2.803 173.348 176.094 0.095 0.000 1.115 663 V CA -3.443 58.910 62.300 0.089 0.000 0.998 663 V CB 2.013 33.855 31.823 0.031 0.000 1.042 663 V HN 0.205 nan 8.190 nan 0.000 0.433 664 P HA 0.406 nan 4.420 nan 0.000 0.278 664 P C -2.355 174.994 177.300 0.082 0.000 1.238 664 P CA -1.600 61.557 63.100 0.095 0.000 0.794 664 P CB 0.609 32.361 31.700 0.086 0.000 0.955 665 P HA -0.249 nan 4.420 nan 0.000 0.205 665 P C 1.366 178.694 177.300 0.047 0.000 1.046 665 P CA 1.352 64.518 63.100 0.110 0.000 0.968 665 P CB -0.418 31.480 31.700 0.330 0.000 0.753 666 I N -1.296 119.333 120.570 0.098 0.000 2.103 666 I HA -0.299 3.870 4.170 -0.002 0.000 0.241 666 I C 2.525 178.654 176.117 0.019 0.000 1.036 666 I CA 1.869 63.208 61.300 0.065 0.000 1.300 666 I CB -0.974 37.080 38.000 0.089 0.000 1.010 666 I HN -0.088 nan 8.210 nan 0.000 0.406 667 R N 0.868 121.385 120.500 0.028 0.000 2.120 667 R HA -0.173 4.166 4.340 -0.002 0.000 0.234 667 R C 1.912 178.201 176.300 -0.018 0.000 1.123 667 R CA 1.904 58.012 56.100 0.013 0.000 0.975 667 R CB -1.050 29.268 30.300 0.029 0.000 0.866 667 R HN 0.641 nan 8.270 nan 0.000 0.446 668 N N -0.556 118.124 118.700 -0.032 0.000 2.109 668 N HA -0.191 4.548 4.740 -0.002 0.000 0.188 668 N C 1.710 177.143 175.510 -0.127 0.000 1.034 668 N CA 0.900 53.907 53.050 -0.071 0.000 0.846 668 N CB -0.056 38.386 38.487 -0.076 0.000 1.010 668 N HN 0.016 nan 8.380 nan 0.000 0.425 669 R N 1.351 121.743 120.500 -0.179 0.000 2.120 669 R HA 0.075 4.413 4.340 -0.002 0.000 0.234 669 R C 2.076 178.271 176.300 -0.175 0.000 1.123 669 R CA 0.847 56.775 56.100 -0.287 0.000 0.975 669 R CB -0.669 29.396 30.300 -0.391 0.000 0.866 669 R HN 0.398 nan 8.270 nan 0.000 0.446 670 I N 0.100 120.612 120.570 -0.098 0.000 2.286 670 I HA -0.266 3.903 4.170 -0.002 0.000 0.248 670 I C 1.556 177.631 176.117 -0.071 0.000 1.115 670 I CA 1.647 62.911 61.300 -0.060 0.000 1.392 670 I CB -0.253 37.730 38.000 -0.028 0.000 1.065 670 I HN 0.212 nan 8.210 nan 0.000 0.418 671 D N 0.489 120.846 120.400 -0.073 0.000 2.144 671 D HA -0.175 4.464 4.640 -0.002 0.000 0.199 671 D C 2.263 178.523 176.300 -0.066 0.000 0.984 671 D CA 1.296 55.258 54.000 -0.064 0.000 0.834 671 D CB 0.046 40.811 40.800 -0.059 0.000 0.955 671 D HN 0.206 nan 8.370 nan 0.000 0.465 672 M N -0.540 119.008 119.600 -0.086 0.000 2.476 672 M HA -0.012 4.467 4.480 -0.002 0.000 0.262 672 M C 1.646 177.911 176.300 -0.058 0.000 1.079 672 M CA 0.621 55.888 55.300 -0.055 0.000 1.104 672 M CB 0.157 32.710 32.600 -0.078 0.000 1.409 672 M HN 0.117 nan 8.290 nan 0.000 0.467 673 L N -0.583 120.563 121.223 -0.129 0.000 2.189 673 L HA 0.058 4.396 4.340 -0.002 0.000 0.199 673 L C 1.313 177.950 176.870 -0.388 0.000 1.074 673 L CA 0.065 54.741 54.840 -0.273 0.000 0.783 673 L CB -0.883 41.069 42.059 -0.178 0.000 0.955 673 L HN 0.206 nan 8.230 nan 0.000 0.460 674 S N 0.833 116.406 115.700 -0.213 0.000 2.946 674 S HA -0.105 4.364 4.470 -0.002 0.000 0.349 674 S C 0.814 175.334 174.600 -0.133 0.000 1.189 674 S CA 0.058 58.157 58.200 -0.169 0.000 1.285 674 S CB -0.321 62.825 63.200 -0.091 0.000 1.010 674 S HN 0.328 nan 8.310 nan 0.000 0.538 675 T N 3.895 118.337 114.554 -0.187 0.000 4.492 675 T HA 0.325 4.674 4.350 -0.002 0.000 0.222 675 T C 0.739 175.469 174.700 0.051 0.000 0.836 675 T CA 0.050 62.150 62.100 0.000 0.000 0.900 675 T CB -1.483 67.368 68.868 -0.029 0.000 1.399 675 T HN 0.807 nan 8.240 nan 0.000 0.877 676 G N 1.560 110.378 108.800 0.030 0.000 2.437 676 G HA2 0.593 4.552 3.960 -0.002 0.000 0.319 676 G HA3 0.593 4.552 3.960 -0.002 0.000 0.319 676 G C -0.629 174.294 174.900 0.038 0.000 1.158 676 G CA -0.894 44.211 45.100 0.009 0.000 0.899 676 G HN 0.517 nan 8.290 nan 0.000 0.502 677 I N 1.661 122.248 120.570 0.030 0.000 2.313 677 I HA 0.227 4.396 4.170 -0.002 0.000 0.286 677 I C 1.545 177.646 176.117 -0.026 0.000 1.091 677 I CA -0.370 60.947 61.300 0.028 0.000 1.216 677 I CB 1.413 39.520 38.000 0.177 0.000 1.434 677 I HN 0.682 nan 8.210 nan 0.000 0.487 678 K N 2.944 123.291 120.400 -0.090 0.000 2.020 678 K HA -0.093 4.225 4.320 -0.002 0.000 0.212 678 K C 0.712 177.288 176.600 -0.040 0.000 1.050 678 K CA 1.065 57.314 56.287 -0.064 0.000 0.929 678 K CB 0.054 32.504 32.500 -0.084 0.000 0.714 678 K HN 0.565 nan 8.250 nan 0.000 0.443 679 S N 2.931 118.590 115.700 -0.068 0.000 3.225 679 S HA -0.046 4.423 4.470 -0.002 0.000 0.378 679 S C -1.889 172.744 174.600 0.055 0.000 1.190 679 S CA -0.592 57.611 58.200 0.005 0.000 1.104 679 S CB 0.490 63.728 63.200 0.062 0.000 0.795 679 S HN 0.253 nan 8.310 nan 0.000 0.517 680 P HA -0.194 nan 4.420 nan 0.000 0.224 680 P C 0.337 177.699 177.300 0.104 0.000 1.153 680 P CA 1.539 64.671 63.100 0.053 0.000 0.947 680 P CB 0.042 31.759 31.700 0.030 0.000 0.790 681 I N -2.880 117.752 120.570 0.103 0.000 2.822 681 I HA 0.641 4.809 4.170 -0.002 0.000 0.312 681 I C 0.508 176.730 176.117 0.176 0.000 1.011 681 I CA -0.838 60.540 61.300 0.129 0.000 1.105 681 I CB 1.841 39.868 38.000 0.045 0.000 1.291 681 I HN -0.089 nan 8.210 nan 0.000 0.474 682 G N 3.176 112.098 108.800 0.203 0.000 2.716 682 G HA2 0.535 4.494 3.960 -0.002 0.000 0.299 682 G HA3 0.535 4.494 3.960 -0.002 0.000 0.299 682 G C -1.430 173.574 174.900 0.173 0.000 1.450 682 G CA -0.495 44.740 45.100 0.226 0.000 0.968 682 G HN 0.428 nan 8.290 nan 0.000 0.566 683 I N 1.853 122.486 120.570 0.105 0.000 2.359 683 I HA 0.247 4.416 4.170 -0.002 0.000 0.284 683 I C 0.015 176.122 176.117 -0.016 0.000 1.018 683 I CA -0.708 60.590 61.300 -0.004 0.000 1.173 683 I CB 1.629 39.598 38.000 -0.051 0.000 1.326 683 I HN 0.241 nan 8.210 nan 0.000 0.462 684 K N 5.422 125.791 120.400 -0.051 0.000 2.338 684 K HA 0.226 4.545 4.320 -0.002 0.000 0.290 684 K C -0.330 176.250 176.600 -0.033 0.000 1.069 684 K CA -0.151 56.140 56.287 0.008 0.000 0.941 684 K CB 1.519 33.944 32.500 -0.124 0.000 1.023 684 K HN 0.348 nan 8.250 nan 0.000 0.477 685 V N 3.809 123.744 119.914 0.035 0.000 2.294 685 V HA 0.146 4.264 4.120 -0.002 0.000 0.272 685 V C -0.554 175.556 176.094 0.028 0.000 1.027 685 V CA -0.349 61.943 62.300 -0.014 0.000 0.823 685 V CB 0.885 32.690 31.823 -0.030 0.000 1.030 685 V HN 0.728 nan 8.190 nan 0.000 0.457 686 S N 4.919 120.625 115.700 0.010 0.000 2.565 686 S HA 0.772 5.241 4.470 -0.002 0.000 0.276 686 S C 0.351 174.961 174.600 0.017 0.000 1.326 686 S CA 0.178 58.394 58.200 0.027 0.000 1.045 686 S CB 1.320 64.527 63.200 0.011 0.000 0.918 686 S HN 1.267 nan 8.310 nan 0.000 0.505 687 G N 0.771 109.588 108.800 0.027 0.000 2.742 687 G HA2 0.442 4.401 3.960 -0.002 0.000 0.296 687 G HA3 0.442 4.401 3.960 -0.002 0.000 0.296 687 G C 0.242 175.162 174.900 0.034 0.000 1.436 687 G CA -0.584 44.530 45.100 0.023 0.000 0.928 687 G HN 0.488 nan 8.290 nan 0.000 0.520 688 T N -0.195 114.378 114.554 0.032 0.000 2.857 688 T HA 0.104 4.453 4.350 -0.002 0.000 0.266 688 T C 0.801 175.533 174.700 0.053 0.000 1.048 688 T CA 1.308 63.434 62.100 0.043 0.000 1.139 688 T CB -0.007 68.881 68.868 0.034 0.000 0.874 688 T HN 0.467 nan 8.240 nan 0.000 0.455 689 V N 1.484 121.422 119.914 0.039 0.000 2.962 689 V HA 0.372 4.490 4.120 -0.002 0.000 0.313 689 V C 0.510 176.622 176.094 0.030 0.000 1.099 689 V CA -0.849 61.474 62.300 0.038 0.000 0.971 689 V CB 2.011 33.849 31.823 0.025 0.000 1.028 689 V HN 0.034 nan 8.190 nan 0.000 0.430 690 L N 4.091 125.332 121.223 0.031 0.000 2.046 690 L HA -0.034 4.305 4.340 -0.002 0.000 0.208 690 L C 2.442 179.317 176.870 0.007 0.000 1.077 690 L CA 2.860 57.711 54.840 0.019 0.000 0.747 690 L CB -1.277 40.795 42.059 0.022 0.000 0.896 690 L HN 0.941 nan 8.230 nan 0.000 0.432 691 A N 0.052 122.877 122.820 0.008 0.000 1.892 691 A HA -0.276 4.042 4.320 -0.002 0.000 0.218 691 A C 1.864 179.447 177.584 -0.000 0.000 1.188 691 A CA 2.144 54.182 52.037 0.003 0.000 0.631 691 A CB -0.699 18.303 19.000 0.004 0.000 0.822 691 A HN 0.493 nan 8.150 nan 0.000 0.447 692 D N 0.274 120.675 120.400 0.002 0.000 2.092 692 D HA -0.194 4.445 4.640 -0.002 0.000 0.193 692 D C 1.995 178.292 176.300 -0.005 0.000 0.994 692 D CA 1.809 55.809 54.000 -0.000 0.000 0.828 692 D CB -0.680 40.122 40.800 0.003 0.000 0.963 692 D HN 0.729 nan 8.370 nan 0.000 0.450 693 I N -0.592 119.976 120.570 -0.004 0.000 2.252 693 I HA -0.195 3.974 4.170 -0.002 0.000 0.245 693 I C 1.992 178.097 176.117 -0.021 0.000 1.102 693 I CA 1.816 63.110 61.300 -0.010 0.000 1.385 693 I CB -0.293 37.705 38.000 -0.004 0.000 1.064 693 I HN -0.201 nan 8.210 nan 0.000 0.414 694 D N 1.644 122.031 120.400 -0.022 0.000 2.103 694 D HA -0.101 4.538 4.640 -0.002 0.000 0.199 694 D C 2.234 178.520 176.300 -0.024 0.000 0.978 694 D CA 1.940 55.922 54.000 -0.030 0.000 0.829 694 D CB 0.030 40.812 40.800 -0.029 0.000 0.981 694 D HN 0.425 nan 8.370 nan 0.000 0.464 695 A N 0.373 123.183 122.820 -0.017 0.000 1.908 695 A HA -0.181 4.138 4.320 -0.002 0.000 0.218 695 A C 2.163 179.738 177.584 -0.014 0.000 1.181 695 A CA 1.976 54.005 52.037 -0.014 0.000 0.627 695 A CB -0.566 18.428 19.000 -0.009 0.000 0.818 695 A HN 0.249 nan 8.150 nan 0.000 0.445 696 M N -0.438 119.153 119.600 -0.015 0.000 2.175 696 M HA 0.017 4.495 4.480 -0.002 0.000 0.264 696 M C 2.449 178.736 176.300 -0.021 0.000 1.063 696 M CA 1.088 56.378 55.300 -0.016 0.000 1.119 696 M CB -1.737 30.853 32.600 -0.017 0.000 1.377 696 M HN 0.462 nan 8.290 nan 0.000 0.415 697 A N -0.194 122.610 122.820 -0.027 0.000 1.978 697 A HA -0.161 4.158 4.320 -0.002 0.000 0.220 697 A C 2.194 179.760 177.584 -0.029 0.000 1.170 697 A CA 1.509 53.525 52.037 -0.035 0.000 0.636 697 A CB -0.501 18.469 19.000 -0.049 0.000 0.810 697 A HN 0.414 nan 8.150 nan 0.000 0.448 698 E N -0.248 119.938 120.200 -0.024 0.000 2.208 698 E HA -0.190 4.159 4.350 -0.002 0.000 0.193 698 E C 2.311 178.904 176.600 -0.012 0.000 0.988 698 E CA 1.181 57.570 56.400 -0.018 0.000 0.828 698 E CB -0.328 29.361 29.700 -0.017 0.000 0.763 698 E HN 0.977 nan 8.360 nan 0.000 0.478 699 Q N 0.272 120.066 119.800 -0.010 0.000 2.234 699 Q HA -0.119 4.220 4.340 -0.002 0.000 0.206 699 Q C 1.947 177.946 176.000 -0.001 0.000 0.980 699 Q CA 1.235 57.035 55.803 -0.005 0.000 0.869 699 Q CB -0.234 28.501 28.738 -0.004 0.000 0.912 699 Q HN 0.271 nan 8.270 nan 0.000 0.436 700 I N 0.575 121.143 120.570 -0.004 0.000 3.059 700 I HA -0.101 4.068 4.170 -0.002 0.000 0.270 700 I C 2.465 178.584 176.117 0.005 0.000 1.238 700 I CA 0.310 61.612 61.300 0.004 0.000 1.478 700 I CB -0.044 37.956 38.000 -0.000 0.000 1.097 700 I HN 0.304 nan 8.210 nan 0.000 0.455 701 E N 1.819 122.017 120.200 -0.002 0.000 2.028 701 E HA -0.267 4.081 4.350 -0.002 0.000 0.191 701 E C 1.889 178.492 176.600 0.004 0.000 0.988 701 E CA 1.937 58.337 56.400 0.001 0.000 0.799 701 E CB 0.003 29.700 29.700 -0.005 0.000 0.755 701 E HN 0.682 nan 8.360 nan 0.000 0.447 702 E N -0.083 120.119 120.200 0.002 0.000 2.106 702 E HA -0.114 4.235 4.350 -0.002 0.000 0.192 702 E C 2.190 178.793 176.600 0.006 0.000 0.984 702 E CA 1.470 57.872 56.400 0.003 0.000 0.806 702 E CB -0.301 29.400 29.700 0.002 0.000 0.750 702 E HN 0.069 nan 8.360 nan 0.000 0.458 703 V N 1.545 121.464 119.914 0.008 0.000 2.453 703 V HA -0.170 3.949 4.120 -0.002 0.000 0.247 703 V C 2.597 178.699 176.094 0.012 0.000 1.048 703 V CA 1.634 63.941 62.300 0.011 0.000 1.049 703 V CB -0.534 31.299 31.823 0.016 0.000 0.672 703 V HN 0.506 nan 8.190 nan 0.000 0.457 704 A N 0.129 122.958 122.820 0.014 0.000 1.933 704 A HA -0.246 4.073 4.320 -0.002 0.000 0.218 704 A C 2.307 179.896 177.584 0.009 0.000 1.175 704 A CA 2.068 54.114 52.037 0.014 0.000 0.628 704 A CB -0.477 18.536 19.000 0.021 0.000 0.814 704 A HN 0.449 nan 8.150 nan 0.000 0.444 705 R N -1.034 119.471 120.500 0.008 0.000 2.092 705 R HA -0.066 4.273 4.340 -0.002 0.000 0.231 705 R C 2.375 178.678 176.300 0.004 0.000 1.119 705 R CA 2.040 58.144 56.100 0.006 0.000 0.970 705 R CB -0.810 29.493 30.300 0.006 0.000 0.864 705 R HN 0.487 nan 8.270 nan 0.000 0.440 706 T N -1.123 113.434 114.554 0.004 0.000 2.851 706 T HA 0.049 4.398 4.350 -0.002 0.000 0.262 706 T C 0.303 175.004 174.700 0.002 0.000 1.043 706 T CA 0.748 62.850 62.100 0.003 0.000 1.140 706 T CB -0.155 68.716 68.868 0.004 0.000 0.872 706 T HN 0.040 nan 8.240 nan 0.000 0.446 707 V N 4.426 124.340 119.914 0.001 0.000 2.434 707 V HA 0.248 4.366 4.120 -0.002 0.000 0.281 707 V C -2.264 173.826 176.094 -0.006 0.000 1.005 707 V CA -1.970 60.329 62.300 -0.003 0.000 1.089 707 V CB 0.188 32.007 31.823 -0.006 0.000 0.978 707 V HN 0.333 nan 8.190 nan 0.000 0.474 708 P HA 0.244 nan 4.420 nan 0.000 0.257 708 P C 0.098 177.392 177.300 -0.010 0.000 1.153 708 P CA 1.461 64.557 63.100 -0.006 0.000 0.762 708 P CB -0.129 31.568 31.700 -0.006 0.000 0.743 709 G N 1.649 110.445 108.800 -0.007 0.000 2.397 709 G HA2 0.128 4.087 3.960 -0.002 0.000 0.453 709 G HA3 0.128 4.087 3.960 -0.002 0.000 0.453 709 G C -0.353 174.545 174.900 -0.004 0.000 1.579 709 G CA -0.454 44.641 45.100 -0.008 0.000 0.906 709 G HN 0.485 nan 8.290 nan 0.000 0.675 710 V N -0.198 119.715 119.914 -0.002 0.000 2.159 710 V HA 0.610 4.729 4.120 -0.002 0.000 0.296 710 V C 1.139 177.236 176.094 0.005 0.000 1.762 710 V CA 0.358 62.659 62.300 0.001 0.000 1.708 710 V CB -0.213 31.611 31.823 0.001 0.000 1.484 710 V HN 2.046 nan 8.190 nan 0.000 0.512 711 A N 2.207 125.031 122.820 0.006 0.000 2.539 711 A HA 0.502 4.821 4.320 -0.002 0.000 0.306 711 A C 0.740 178.336 177.584 0.021 0.000 1.392 711 A CA 0.231 52.276 52.037 0.014 0.000 1.060 711 A CB -0.070 18.936 19.000 0.010 0.000 1.134 711 A HN 0.851 nan 8.150 nan 0.000 0.542 712 S N 2.430 118.146 115.700 0.028 0.000 2.455 712 S HA 0.490 4.959 4.470 -0.002 0.000 0.278 712 S C 0.292 174.920 174.600 0.046 0.000 1.216 712 S CA 0.089 58.309 58.200 0.033 0.000 1.055 712 S CB -0.152 63.070 63.200 0.036 0.000 0.939 712 S HN 1.251 nan 8.310 nan 0.000 0.494 713 A N 6.108 128.948 122.820 0.034 0.000 2.287 713 A HA 0.707 5.026 4.320 -0.002 0.000 0.317 713 A C -0.706 176.889 177.584 0.020 0.000 1.220 713 A CA -0.726 51.329 52.037 0.030 0.000 0.835 713 A CB 0.500 19.511 19.000 0.018 0.000 1.180 713 A HN 0.863 nan 8.150 nan 0.000 0.500 714 L N 3.130 124.362 121.223 0.016 0.000 2.388 714 L HA 0.401 4.739 4.340 -0.002 0.000 0.267 714 L C 1.309 178.144 176.870 -0.057 0.000 0.995 714 L CA -0.639 54.198 54.840 -0.004 0.000 0.864 714 L CB 1.442 43.520 42.059 0.031 0.000 1.216 714 L HN 0.863 nan 8.230 nan 0.000 0.430 715 A N 3.029 125.816 122.820 -0.056 0.000 1.892 715 A HA -0.122 4.197 4.320 -0.002 0.000 0.218 715 A C 0.835 178.349 177.584 -0.116 0.000 1.188 715 A CA 1.925 53.914 52.037 -0.079 0.000 0.631 715 A CB -0.085 18.882 19.000 -0.055 0.000 0.822 715 A HN 0.783 nan 8.150 nan 0.000 0.447 716 E N -2.193 117.952 120.200 -0.092 0.000 2.506 716 E HA 0.260 4.609 4.350 -0.002 0.000 0.308 716 E C -0.866 175.694 176.600 -0.066 0.000 0.931 716 E CA -0.697 55.641 56.400 -0.104 0.000 0.800 716 E CB 0.435 30.069 29.700 -0.110 0.000 1.292 716 E HN 0.111 nan 8.360 nan 0.000 0.401 717 R N 2.127 122.597 120.500 -0.051 0.000 2.317 717 R HA 0.286 4.625 4.340 -0.002 0.000 0.208 717 R C 1.457 177.725 176.300 -0.053 0.000 0.914 717 R CA -0.011 56.069 56.100 -0.033 0.000 1.060 717 R CB -0.305 29.994 30.300 -0.001 0.000 1.015 717 R HN 0.573 nan 8.270 nan 0.000 0.498 718 L N 1.024 122.203 121.223 -0.074 0.000 1.913 718 L HA -0.145 4.194 4.340 -0.002 0.000 0.217 718 L C 0.800 177.622 176.870 -0.080 0.000 1.086 718 L CA 1.059 55.848 54.840 -0.085 0.000 0.772 718 L CB -0.825 41.169 42.059 -0.109 0.000 0.887 718 L HN 0.229 nan 8.230 nan 0.000 0.432 719 E N 0.900 121.053 120.200 -0.078 0.000 3.102 719 E HA -0.024 4.325 4.350 -0.002 0.000 0.235 719 E C 0.398 176.941 176.600 -0.095 0.000 0.995 719 E CA 0.628 56.977 56.400 -0.084 0.000 0.950 719 E CB -0.282 29.377 29.700 -0.068 0.000 0.905 719 E HN 0.530 nan 8.360 nan 0.000 0.553 720 G N 2.852 111.578 108.800 -0.124 0.000 4.417 720 G HA2 0.224 4.183 3.960 -0.002 0.000 0.221 720 G HA3 0.224 4.183 3.960 -0.002 0.000 0.221 720 G C 0.184 174.986 174.900 -0.164 0.000 1.003 720 G CA -0.223 44.804 45.100 -0.121 0.000 0.832 720 G HN 0.727 nan 8.290 nan 0.000 0.356 721 G N 0.130 108.779 108.800 -0.251 0.000 2.448 721 G HA2 0.576 4.534 3.960 -0.002 0.000 0.285 721 G HA3 0.576 4.534 3.960 -0.002 0.000 0.285 721 G C -0.497 174.143 174.900 -0.433 0.000 1.176 721 G CA -0.551 44.336 45.100 -0.356 0.000 0.852 721 G HN 0.137 nan 8.290 nan 0.000 0.530 722 R N 0.444 120.746 120.500 -0.331 0.000 2.445 722 R HA 0.403 4.741 4.340 -0.002 0.000 0.308 722 R C -1.291 174.935 176.300 -0.123 0.000 0.961 722 R CA -0.391 55.585 56.100 -0.206 0.000 0.862 722 R CB 1.710 31.956 30.300 -0.091 0.000 1.144 722 R HN 0.665 nan 8.270 nan 0.000 0.447 723 Y N 1.635 121.936 120.300 0.002 0.000 2.576 723 Y HA 0.503 5.052 4.550 -0.002 0.000 0.346 723 Y C 0.292 176.198 175.900 0.011 0.000 1.018 723 Y CA -1.224 56.883 58.100 0.013 0.000 1.050 723 Y CB 2.666 41.135 38.460 0.015 0.000 1.280 723 Y HN 0.262 nan 8.280 nan 0.000 0.474 724 I N 2.057 122.741 120.570 0.190 0.000 2.362 724 I HA 0.223 4.392 4.170 -0.002 0.000 0.289 724 I C -1.161 174.988 176.117 0.053 0.000 0.994 724 I CA -0.428 60.929 61.300 0.094 0.000 1.158 724 I CB 1.241 39.282 38.000 0.069 0.000 1.315 724 I HN 0.586 nan 8.210 nan 0.000 0.451 725 N N 5.653 124.378 118.700 0.043 0.000 2.485 725 N HA 0.300 5.039 4.740 -0.002 0.000 0.243 725 N C -0.953 174.557 175.510 -0.001 0.000 0.987 725 N CA -0.455 52.602 53.050 0.010 0.000 0.940 725 N CB 1.804 40.303 38.487 0.021 0.000 1.122 725 N HN 0.207 nan 8.380 nan 0.000 0.509 726 V N 2.972 122.876 119.914 -0.016 0.000 2.353 726 V HA 0.122 4.241 4.120 -0.002 0.000 0.264 726 V C 0.002 176.082 176.094 -0.023 0.000 1.049 726 V CA -0.400 61.891 62.300 -0.015 0.000 0.896 726 V CB 0.310 32.124 31.823 -0.015 0.000 1.025 726 V HN 0.583 nan 8.190 nan 0.000 0.475 727 E N 4.550 124.738 120.200 -0.020 0.000 2.146 727 E HA 0.386 4.735 4.350 -0.002 0.000 0.282 727 E C -0.674 175.910 176.600 -0.027 0.000 0.989 727 E CA -0.771 55.615 56.400 -0.023 0.000 0.799 727 E CB 2.616 32.305 29.700 -0.018 0.000 1.088 727 E HN 0.406 nan 8.360 nan 0.000 0.397 728 I N 3.253 123.805 120.570 -0.030 0.000 2.396 728 I HA -0.037 4.132 4.170 -0.002 0.000 0.289 728 I C 0.489 176.585 176.117 -0.035 0.000 1.056 728 I CA -0.133 61.146 61.300 -0.034 0.000 1.365 728 I CB 0.241 38.224 38.000 -0.030 0.000 1.407 728 I HN 0.242 nan 8.210 nan 0.000 0.509 729 N N 6.373 125.046 118.700 -0.045 0.000 2.415 729 N HA 0.137 4.876 4.740 -0.002 0.000 0.250 729 N C 1.063 176.551 175.510 -0.037 0.000 1.127 729 N CA 0.001 53.028 53.050 -0.039 0.000 0.945 729 N CB 0.504 38.964 38.487 -0.046 0.000 1.196 729 N HN 0.412 nan 8.380 nan 0.000 0.499 730 R N 2.269 122.755 120.500 -0.023 0.000 2.105 730 R HA -0.163 4.175 4.340 -0.002 0.000 0.239 730 R C 1.353 177.649 176.300 -0.006 0.000 1.135 730 R CA 1.121 57.213 56.100 -0.014 0.000 0.967 730 R CB -0.016 30.279 30.300 -0.008 0.000 0.861 730 R HN 0.635 nan 8.270 nan 0.000 0.442 731 E N 1.441 121.638 120.200 -0.005 0.000 2.047 731 E HA -0.157 4.192 4.350 -0.002 0.000 0.191 731 E C 1.792 178.400 176.600 0.014 0.000 0.987 731 E CA 1.110 57.514 56.400 0.007 0.000 0.799 731 E CB 0.171 29.875 29.700 0.006 0.000 0.752 731 E HN 0.188 nan 8.360 nan 0.000 0.449 732 K N -0.551 119.840 120.400 -0.015 0.000 2.288 732 K HA -0.012 4.307 4.320 -0.002 0.000 0.201 732 K C 1.777 178.310 176.600 -0.112 0.000 1.048 732 K CA 0.663 56.924 56.287 -0.043 0.000 0.956 732 K CB 0.147 32.595 32.500 -0.087 0.000 0.746 732 K HN 0.101 nan 8.250 nan 0.000 0.461 733 A N 0.749 123.519 122.820 -0.083 0.000 1.975 733 A HA 0.082 4.400 4.320 -0.002 0.000 0.215 733 A C 2.208 179.815 177.584 0.039 0.000 1.170 733 A CA 1.155 53.144 52.037 -0.081 0.000 0.656 733 A CB -0.257 18.708 19.000 -0.059 0.000 0.821 733 A HN 0.279 nan 8.150 nan 0.000 0.449 734 A N 0.534 123.383 122.820 0.048 0.000 1.877 734 A HA -0.188 4.131 4.320 -0.002 0.000 0.216 734 A C 2.136 179.792 177.584 0.120 0.000 1.186 734 A CA 1.596 53.674 52.037 0.069 0.000 0.620 734 A CB -0.538 18.488 19.000 0.044 0.000 0.822 734 A HN 0.506 nan 8.150 nan 0.000 0.443 735 R N -1.921 118.678 120.500 0.165 0.000 2.211 735 R HA -0.171 4.168 4.340 -0.002 0.000 0.240 735 R C 0.821 177.257 176.300 0.226 0.000 1.144 735 R CA 1.688 57.905 56.100 0.194 0.000 0.992 735 R CB -0.394 30.054 30.300 0.246 0.000 0.869 735 R HN 0.782 nan 8.270 nan 0.000 0.462 736 Y N -0.832 119.463 120.300 -0.009 0.000 2.555 736 Y HA 0.227 4.776 4.550 -0.002 0.000 0.259 736 Y C 1.203 177.102 175.900 -0.003 0.000 1.179 736 Y CA -0.340 57.754 58.100 -0.010 0.000 1.230 736 Y CB 1.078 39.526 38.460 -0.019 0.000 1.146 736 Y HN 0.122 nan 8.280 nan 0.000 0.526 737 G N 2.030 110.913 108.800 0.139 0.000 2.393 737 G HA2 -0.308 3.651 3.960 -0.002 0.000 0.299 737 G HA3 -0.308 3.651 3.960 -0.002 0.000 0.299 737 G C -0.251 174.700 174.900 0.086 0.000 0.990 737 G CA 0.151 45.301 45.100 0.083 0.000 1.118 737 G HN 0.309 nan 8.290 nan 0.000 0.513 738 M N 1.328 120.980 119.600 0.088 0.000 2.227 738 M HA 0.265 4.744 4.480 -0.002 0.000 0.335 738 M C 0.871 177.201 176.300 0.051 0.000 1.053 738 M CA -0.548 54.797 55.300 0.074 0.000 0.973 738 M CB 1.760 34.403 32.600 0.071 0.000 1.623 738 M HN 0.374 nan 8.290 nan 0.000 0.434 739 T N 0.054 114.637 114.554 0.048 0.000 2.888 739 T HA 0.179 4.528 4.350 -0.002 0.000 0.301 739 T C 1.423 176.142 174.700 0.032 0.000 1.001 739 T CA -0.908 61.212 62.100 0.033 0.000 1.147 739 T CB 0.336 69.220 68.868 0.027 0.000 0.931 739 T HN 0.534 nan 8.240 nan 0.000 0.541 740 V N 2.059 121.984 119.914 0.018 0.000 2.370 740 V HA -0.253 3.866 4.120 -0.002 0.000 0.252 740 V C 3.006 179.109 176.094 0.016 0.000 1.068 740 V CA 1.875 64.182 62.300 0.012 0.000 1.061 740 V CB -2.142 29.680 31.823 -0.003 0.000 0.656 740 V HN 1.066 nan 8.190 nan 0.000 0.455 741 A N 0.278 123.104 122.820 0.010 0.000 1.903 741 A HA -0.353 3.966 4.320 -0.002 0.000 0.219 741 A C 2.191 179.782 177.584 0.012 0.000 1.191 741 A CA 2.443 54.480 52.037 0.001 0.000 0.638 741 A CB -0.820 18.178 19.000 -0.004 0.000 0.823 741 A HN 0.565 nan 8.150 nan 0.000 0.451 742 D N -0.687 119.739 120.400 0.044 0.000 2.183 742 D HA -0.059 4.580 4.640 -0.002 0.000 0.203 742 D C 2.053 178.490 176.300 0.229 0.000 0.969 742 D CA 1.150 55.202 54.000 0.086 0.000 0.842 742 D CB -0.073 40.800 40.800 0.122 0.000 0.957 742 D HN 0.167 nan 8.370 nan 0.000 0.484 743 V N 0.983 121.012 119.914 0.191 0.000 2.282 743 V HA -0.286 3.833 4.120 -0.002 0.000 0.249 743 V C 2.495 178.726 176.094 0.229 0.000 1.057 743 V CA 1.763 64.191 62.300 0.213 0.000 1.032 743 V CB -0.494 31.364 31.823 0.058 0.000 0.645 743 V HN 0.260 nan 8.190 nan 0.000 0.447 744 Q N -0.893 118.962 119.800 0.092 0.000 2.170 744 Q HA -0.203 4.136 4.340 -0.002 0.000 0.203 744 Q C 2.220 178.206 176.000 -0.023 0.000 0.976 744 Q CA 1.314 57.132 55.803 0.024 0.000 0.858 744 Q CB -0.368 28.358 28.738 -0.020 0.000 0.907 744 Q HN 0.489 nan 8.270 nan 0.000 0.433 745 L N 0.057 121.229 121.223 -0.085 0.000 2.129 745 L HA -0.181 4.158 4.340 -0.002 0.000 0.212 745 L C 1.416 178.025 176.870 -0.434 0.000 1.087 745 L CA 1.786 56.443 54.840 -0.306 0.000 0.757 745 L CB -0.508 41.270 42.059 -0.467 0.000 0.896 745 L HN 0.153 nan 8.230 nan 0.000 0.434 746 F N -2.558 117.316 119.950 -0.128 0.000 2.473 746 F HA 0.053 4.579 4.527 -0.002 0.000 0.294 746 F C 2.330 178.038 175.800 -0.152 0.000 1.103 746 F CA 0.517 58.406 58.000 -0.185 0.000 1.442 746 F CB -0.680 38.248 39.000 -0.120 0.000 1.097 746 F HN -0.198 nan 8.300 nan 0.000 0.547 747 V N -0.735 119.216 119.914 0.061 0.000 2.871 747 V HA -0.145 3.974 4.120 -0.002 0.000 0.256 747 V C 1.839 177.905 176.094 -0.047 0.000 1.082 747 V CA 2.081 64.386 62.300 0.009 0.000 1.105 747 V CB -0.284 31.542 31.823 0.004 0.000 0.713 747 V HN 0.387 nan 8.190 nan 0.000 0.473 748 T N -1.663 112.838 114.554 -0.089 0.000 3.146 748 T HA -0.001 4.348 4.350 -0.002 0.000 0.235 748 T C 2.012 176.642 174.700 -0.117 0.000 0.985 748 T CA 1.147 63.184 62.100 -0.106 0.000 1.265 748 T CB 0.020 68.820 68.868 -0.114 0.000 0.946 748 T HN 0.363 nan 8.240 nan 0.000 0.418 749 S N 1.491 117.095 115.700 -0.160 0.000 2.371 749 S HA 0.109 4.578 4.470 -0.002 0.000 0.224 749 S C 2.406 176.890 174.600 -0.194 0.000 1.029 749 S CA 0.999 59.102 58.200 -0.161 0.000 0.978 749 S CB -0.405 62.681 63.200 -0.190 0.000 0.833 749 S HN 0.506 nan 8.310 nan 0.000 0.466 750 A N 0.933 123.566 122.820 -0.312 0.000 1.843 750 A HA 0.072 4.391 4.320 -0.002 0.000 0.213 750 A C 2.333 179.783 177.584 -0.224 0.000 1.202 750 A CA 1.105 52.848 52.037 -0.490 0.000 0.607 750 A CB -0.950 17.449 19.000 -1.002 0.000 0.847 750 A HN 0.295 nan 8.150 nan 0.000 0.445 751 V N -0.287 119.558 119.914 -0.114 0.000 2.244 751 V HA -0.096 4.022 4.120 -0.002 0.000 0.244 751 V C 2.603 178.717 176.094 0.033 0.000 1.042 751 V CA 2.140 64.452 62.300 0.021 0.000 1.006 751 V CB -1.181 30.665 31.823 0.038 0.000 0.641 751 V HN 0.618 nan 8.190 nan 0.000 0.446 752 G N -1.343 107.456 108.800 -0.002 0.000 2.670 752 G HA2 0.401 4.360 3.960 -0.002 0.000 0.219 752 G HA3 0.401 4.360 3.960 -0.002 0.000 0.219 752 G C 0.796 175.702 174.900 0.010 0.000 1.342 752 G CA 0.836 45.944 45.100 0.015 0.000 0.902 752 G HN 1.266 nan 8.290 nan 0.000 0.553 753 G N -0.982 107.808 108.800 -0.018 0.000 2.491 753 G HA2 0.463 4.422 3.960 -0.002 0.000 0.232 753 G HA3 0.463 4.422 3.960 -0.002 0.000 0.232 753 G C -0.057 174.838 174.900 -0.008 0.000 1.609 753 G CA 0.062 45.154 45.100 -0.013 0.000 0.880 753 G HN 1.168 nan 8.290 nan 0.000 0.515 754 A N 1.954 124.757 122.820 -0.028 0.000 2.520 754 A HA 0.590 4.909 4.320 -0.002 0.000 0.245 754 A C 1.079 178.668 177.584 0.008 0.000 1.072 754 A CA 0.630 52.659 52.037 -0.013 0.000 0.761 754 A CB 0.257 19.239 19.000 -0.029 0.000 1.004 754 A HN 1.812 nan 8.150 nan 0.000 0.499 755 M N 3.503 123.122 119.600 0.032 0.000 2.249 755 M HA 0.214 4.693 4.480 -0.002 0.000 0.340 755 M C -0.217 176.112 176.300 0.049 0.000 1.166 755 M CA 0.641 55.972 55.300 0.051 0.000 1.115 755 M CB 0.725 33.366 32.600 0.068 0.000 1.606 755 M HN 0.454 nan 8.290 nan 0.000 0.448 756 V N 4.007 123.958 119.914 0.061 0.000 3.276 756 V HA 0.561 4.680 4.120 -0.002 0.000 0.319 756 V C 0.117 176.259 176.094 0.079 0.000 1.427 756 V CA 0.928 63.261 62.300 0.055 0.000 1.102 756 V CB 0.043 31.891 31.823 0.041 0.000 1.020 756 V HN 1.141 nan 8.190 nan 0.000 0.456 757 G N 0.095 108.957 108.800 0.103 0.000 2.352 757 G HA2 0.246 4.205 3.960 -0.002 0.000 0.305 757 G HA3 0.246 4.205 3.960 -0.002 0.000 0.305 757 G C -1.482 173.518 174.900 0.167 0.000 1.537 757 G CA -0.767 44.406 45.100 0.123 0.000 0.959 757 G HN 0.165 nan 8.290 nan 0.000 0.668 758 E N 0.025 120.326 120.200 0.169 0.000 2.222 758 E HA 0.601 4.950 4.350 -0.002 0.000 0.267 758 E C -0.083 176.655 176.600 0.230 0.000 0.884 758 E CA -0.799 55.724 56.400 0.205 0.000 0.764 758 E CB 2.372 32.165 29.700 0.156 0.000 1.169 758 E HN 0.692 nan 8.360 nan 0.000 0.413 759 T N -1.129 113.613 114.554 0.314 0.000 2.875 759 T HA 0.496 4.845 4.350 -0.002 0.000 0.284 759 T C 0.184 175.006 174.700 0.204 0.000 0.995 759 T CA -0.801 61.474 62.100 0.292 0.000 1.060 759 T CB 0.920 70.037 68.868 0.415 0.000 0.967 759 T HN 0.203 nan 8.240 nan 0.000 0.476 760 V N 1.612 121.559 119.914 0.055 0.000 2.617 760 V HA 0.631 4.750 4.120 -0.002 0.000 0.298 760 V C 0.232 176.266 176.094 -0.100 0.000 1.048 760 V CA -0.752 61.493 62.300 -0.091 0.000 0.964 760 V CB 1.240 32.875 31.823 -0.312 0.000 1.004 760 V HN 1.030 nan 8.190 nan 0.000 0.466 761 E N 2.232 122.371 120.200 -0.100 0.000 3.191 761 E HA 0.403 4.751 4.350 -0.002 0.000 0.192 761 E C 0.580 177.096 176.600 -0.141 0.000 0.972 761 E CA 0.036 56.384 56.400 -0.087 0.000 1.266 761 E CB 0.995 30.697 29.700 0.002 0.000 1.076 761 E HN 1.494 nan 8.360 nan 0.000 0.462 762 G N 2.285 110.982 108.800 -0.172 0.000 3.285 762 G HA2 -0.268 3.690 3.960 -0.002 0.000 0.685 762 G HA3 -0.268 3.690 3.960 -0.002 0.000 0.685 762 G C 0.301 175.111 174.900 -0.150 0.000 0.938 762 G CA -0.170 44.846 45.100 -0.141 0.000 0.778 762 G HN 0.556 nan 8.290 nan 0.000 0.515 763 I N -1.227 119.289 120.570 -0.091 0.000 4.465 763 I HA -0.236 3.933 4.170 -0.002 0.000 0.286 763 I C 0.756 176.745 176.117 -0.213 0.000 1.298 763 I CA 1.961 63.235 61.300 -0.044 0.000 1.794 763 I CB -0.751 37.249 38.000 -0.000 0.000 2.159 763 I HN 2.185 nan 8.210 nan 0.000 0.440 764 A N 1.476 124.063 122.820 -0.389 0.000 2.469 764 A HA 0.886 5.205 4.320 -0.002 0.000 0.299 764 A C 0.019 177.324 177.584 -0.465 0.000 1.098 764 A CA -0.528 50.962 52.037 -0.911 0.000 0.737 764 A CB 1.680 20.095 19.000 -0.975 0.000 1.312 764 A HN 0.428 nan 8.150 nan 0.000 0.414 765 R N 1.321 121.498 120.500 -0.538 0.000 3.130 765 R HA 0.390 4.728 4.340 -0.002 0.000 0.261 765 R C -2.171 174.020 176.300 -0.183 0.000 1.683 765 R CA -0.230 55.771 56.100 -0.166 0.000 1.095 765 R CB 0.396 30.715 30.300 0.031 0.000 1.421 765 R HN 0.726 nan 8.270 nan 0.000 0.454 766 Y N 3.574 123.893 120.300 0.031 0.000 2.320 766 Y HA 0.487 5.036 4.550 -0.002 0.000 0.324 766 Y C -1.817 174.135 175.900 0.086 0.000 1.190 766 Y CA -2.178 55.935 58.100 0.022 0.000 1.215 766 Y CB 0.978 39.326 38.460 -0.187 0.000 1.221 766 Y HN 0.385 nan 8.280 nan 0.000 0.486 767 P HA 0.383 nan 4.420 nan 0.000 0.285 767 P C -0.900 176.509 177.300 0.182 0.000 1.269 767 P CA -0.360 62.847 63.100 0.179 0.000 0.844 767 P CB 1.870 33.648 31.700 0.129 0.000 1.094 768 I N 2.225 122.910 120.570 0.190 0.000 2.355 768 I HA 0.317 4.486 4.170 -0.002 0.000 0.288 768 I C 0.353 176.533 176.117 0.104 0.000 0.999 768 I CA -0.582 60.823 61.300 0.175 0.000 1.163 768 I CB 1.106 39.252 38.000 0.244 0.000 1.316 768 I HN 0.246 nan 8.210 nan 0.000 0.454 769 N N 6.444 125.183 118.700 0.065 0.000 2.399 769 N HA 0.506 5.245 4.740 -0.002 0.000 0.295 769 N C -1.452 174.077 175.510 0.031 0.000 1.048 769 N CA -0.440 52.637 53.050 0.044 0.000 0.886 769 N CB 2.182 40.691 38.487 0.037 0.000 1.185 769 N HN 0.448 nan 8.380 nan 0.000 0.487 770 L N 4.276 125.511 121.223 0.020 0.000 2.377 770 L HA 0.560 4.899 4.340 -0.002 0.000 0.270 770 L C -0.805 176.058 176.870 -0.013 0.000 0.991 770 L CA -0.501 54.345 54.840 0.010 0.000 0.851 770 L CB 0.376 42.437 42.059 0.002 0.000 1.218 770 L HN 0.644 nan 8.230 nan 0.000 0.420 771 R N 2.550 123.061 120.500 0.019 0.000 2.799 771 R HA 0.480 4.819 4.340 -0.002 0.000 0.270 771 R C -1.179 175.209 176.300 0.146 0.000 1.010 771 R CA -0.954 55.160 56.100 0.024 0.000 0.916 771 R CB 0.937 31.267 30.300 0.050 0.000 1.228 771 R HN 0.325 nan 8.270 nan 0.000 0.469 772 Y N 0.626 120.952 120.300 0.043 0.000 2.357 772 Y HA 0.171 4.720 4.550 -0.002 0.000 0.340 772 Y C -1.627 174.362 175.900 0.149 0.000 1.260 772 Y CA -2.049 56.089 58.100 0.063 0.000 1.425 772 Y CB 0.763 39.250 38.460 0.044 0.000 1.326 772 Y HN 0.293 nan 8.280 nan 0.000 0.580 773 P HA -0.091 nan 4.420 nan 0.000 0.270 773 P C 0.054 177.520 177.300 0.276 0.000 1.227 773 P CA 0.111 63.397 63.100 0.308 0.000 0.788 773 P CB 0.618 32.526 31.700 0.346 0.000 0.926 774 Q N 1.341 121.235 119.800 0.157 0.000 2.096 774 Q HA -0.231 4.108 4.340 -0.002 0.000 0.208 774 Q C 1.800 177.847 176.000 0.078 0.000 0.993 774 Q CA 2.717 58.582 55.803 0.103 0.000 0.862 774 Q CB -1.188 27.580 28.738 0.051 0.000 0.915 774 Q HN 0.368 nan 8.270 nan 0.000 0.416 775 S N -0.619 115.081 115.700 -0.000 0.000 2.420 775 S HA -0.173 4.295 4.470 -0.002 0.000 0.237 775 S C 0.769 175.221 174.600 -0.246 0.000 1.023 775 S CA 1.420 59.503 58.200 -0.195 0.000 0.991 775 S CB -0.448 62.521 63.200 -0.385 0.000 0.792 775 S HN 0.596 nan 8.310 nan 0.000 0.488 776 W N 1.195 122.517 121.300 0.036 0.000 3.316 776 W HA 0.324 4.982 4.660 -0.002 0.000 0.327 776 W C 1.400 177.973 176.519 0.089 0.000 1.232 776 W CA -0.626 56.749 57.345 0.050 0.000 1.805 776 W CB 0.008 29.488 29.460 0.034 0.000 1.090 776 W HN 0.105 nan 8.180 nan 0.000 0.654 777 R N -0.589 120.048 120.500 0.228 0.000 2.572 777 R HA 0.119 4.458 4.340 -0.002 0.000 0.370 777 R C 0.475 176.832 176.300 0.095 0.000 1.005 777 R CA -0.106 56.095 56.100 0.169 0.000 1.146 777 R CB 0.192 30.591 30.300 0.165 0.000 1.390 777 R HN -0.028 nan 8.270 nan 0.000 0.553 778 D N 1.578 122.013 120.400 0.059 0.000 2.117 778 D HA -0.083 4.556 4.640 -0.002 0.000 0.197 778 D C 0.646 176.960 176.300 0.024 0.000 0.987 778 D CA 1.547 55.561 54.000 0.023 0.000 0.829 778 D CB 0.240 41.031 40.800 -0.015 0.000 0.961 778 D HN 0.228 nan 8.370 nan 0.000 0.460 779 S N -2.622 113.096 115.700 0.030 0.000 2.596 779 S HA 0.426 4.895 4.470 -0.002 0.000 0.270 779 S C -2.476 172.148 174.600 0.040 0.000 1.155 779 S CA -1.269 56.948 58.200 0.027 0.000 0.827 779 S CB 2.023 65.229 63.200 0.010 0.000 1.130 779 S HN -0.318 nan 8.310 nan 0.000 0.467 780 P HA -0.199 nan 4.420 nan 0.000 0.218 780 P C 1.525 178.849 177.300 0.040 0.000 1.152 780 P CA 1.584 64.708 63.100 0.040 0.000 0.857 780 P CB 0.105 31.823 31.700 0.030 0.000 0.787 781 Q N -0.303 119.515 119.800 0.030 0.000 2.016 781 Q HA -0.092 4.247 4.340 -0.002 0.000 0.200 781 Q C 2.189 178.216 176.000 0.045 0.000 0.978 781 Q CA 2.096 57.916 55.803 0.028 0.000 0.833 781 Q CB -1.457 27.288 28.738 0.013 0.000 0.895 781 Q HN 0.106 nan 8.270 nan 0.000 0.427 782 A N -0.090 122.754 122.820 0.040 0.000 2.042 782 A HA -0.195 4.124 4.320 -0.002 0.000 0.222 782 A C 2.004 179.669 177.584 0.135 0.000 1.167 782 A CA 1.682 53.758 52.037 0.065 0.000 0.649 782 A CB -0.720 18.303 19.000 0.038 0.000 0.809 782 A HN 0.457 nan 8.150 nan 0.000 0.457 783 L N -1.395 119.893 121.223 0.108 0.000 2.446 783 L HA 0.122 4.461 4.340 -0.002 0.000 0.219 783 L C 2.250 179.175 176.870 0.092 0.000 1.116 783 L CA 0.695 55.606 54.840 0.118 0.000 0.844 783 L CB -0.098 42.017 42.059 0.092 0.000 0.970 783 L HN 0.251 nan 8.230 nan 0.000 0.457 784 R N -0.926 119.616 120.500 0.071 0.000 2.240 784 R HA 0.022 4.361 4.340 -0.002 0.000 0.203 784 R C 1.001 177.334 176.300 0.055 0.000 1.011 784 R CA 0.629 56.758 56.100 0.048 0.000 1.007 784 R CB 0.059 30.379 30.300 0.033 0.000 0.911 784 R HN 0.495 nan 8.270 nan 0.000 0.468 785 Q N 0.311 120.168 119.800 0.095 0.000 2.198 785 Q HA 0.222 4.561 4.340 -0.002 0.000 0.209 785 Q C -0.158 175.935 176.000 0.155 0.000 0.848 785 Q CA -0.296 55.577 55.803 0.117 0.000 0.974 785 Q CB 0.821 29.645 28.738 0.144 0.000 1.115 785 Q HN 0.165 nan 8.270 nan 0.000 0.494 786 L N 3.514 124.823 121.223 0.144 0.000 2.640 786 L HA 0.008 4.346 4.340 -0.002 0.000 0.280 786 L C -2.269 174.617 176.870 0.026 0.000 1.229 786 L CA -0.709 54.221 54.840 0.150 0.000 0.919 786 L CB 0.517 42.670 42.059 0.155 0.000 1.168 786 L HN -0.022 nan 8.230 nan 0.000 0.496 787 P HA 0.284 nan 4.420 nan 0.000 0.286 787 P C -0.835 176.387 177.300 -0.130 0.000 1.321 787 P CA -0.270 62.724 63.100 -0.175 0.000 0.790 787 P CB 0.750 32.180 31.700 -0.450 0.000 0.897 788 I N 4.112 124.526 120.570 -0.260 0.000 2.362 788 I HA 0.270 4.439 4.170 -0.002 0.000 0.289 788 I C 0.107 176.051 176.117 -0.289 0.000 0.994 788 I CA -0.416 60.533 61.300 -0.585 0.000 1.158 788 I CB 1.498 39.006 38.000 -0.820 0.000 1.315 788 I HN 0.198 nan 8.210 nan 0.000 0.451 789 L N 7.159 128.299 121.223 -0.137 0.000 2.288 789 L HA 0.402 4.740 4.340 -0.002 0.000 0.283 789 L C 0.024 176.935 176.870 0.068 0.000 1.072 789 L CA -0.226 54.626 54.840 0.021 0.000 0.862 789 L CB 0.215 42.334 42.059 0.100 0.000 1.245 789 L HN 0.671 nan 8.230 nan 0.000 0.432 790 T N 5.329 119.913 114.554 0.050 0.000 2.855 790 T HA 0.022 4.371 4.350 -0.002 0.000 0.322 790 T C -1.585 173.170 174.700 0.091 0.000 1.088 790 T CA -0.839 61.315 62.100 0.090 0.000 1.104 790 T CB 0.415 69.363 68.868 0.133 0.000 0.996 790 T HN 0.460 nan 8.240 nan 0.000 0.549 791 P HA -0.100 nan 4.420 nan 0.000 0.218 791 P C 0.702 178.028 177.300 0.043 0.000 1.147 791 P CA 1.289 64.430 63.100 0.068 0.000 0.827 791 P CB -0.036 31.702 31.700 0.064 0.000 0.778 792 M N -2.142 117.476 119.600 0.031 0.000 2.738 792 M HA 0.210 4.688 4.480 -0.002 0.000 0.295 792 M C 0.511 176.813 176.300 0.003 0.000 1.266 792 M CA -0.018 55.284 55.300 0.004 0.000 0.985 792 M CB -0.173 32.410 32.600 -0.028 0.000 1.365 792 M HN -0.345 nan 8.290 nan 0.000 0.492 793 K N 0.349 120.763 120.400 0.024 0.000 3.185 793 K HA -0.225 4.094 4.320 -0.002 0.000 0.298 793 K C -0.693 175.916 176.600 0.014 0.000 1.178 793 K CA 0.911 57.213 56.287 0.024 0.000 0.882 793 K CB -1.415 31.094 32.500 0.015 0.000 1.218 793 K HN 0.592 nan 8.250 nan 0.000 0.454 794 Q N 0.892 120.698 119.800 0.010 0.000 2.262 794 Q HA 0.022 4.361 4.340 -0.002 0.000 0.272 794 Q C 0.015 176.039 176.000 0.040 0.000 1.076 794 Q CA 0.237 56.044 55.803 0.006 0.000 0.905 794 Q CB 0.777 29.497 28.738 -0.029 0.000 1.182 794 Q HN 0.216 nan 8.270 nan 0.000 0.390 795 Q N 4.019 123.835 119.800 0.027 0.000 2.256 795 Q HA 0.557 4.896 4.340 -0.002 0.000 0.254 795 Q C -0.745 175.272 176.000 0.028 0.000 0.916 795 Q CA -0.245 55.567 55.803 0.015 0.000 0.932 795 Q CB 0.620 29.360 28.738 0.003 0.000 1.207 795 Q HN 0.694 nan 8.270 nan 0.000 0.426 796 I N -0.917 119.650 120.570 -0.005 0.000 3.434 796 I HA 0.617 4.785 4.170 -0.002 0.000 0.317 796 I C -0.858 175.221 176.117 -0.063 0.000 1.230 796 I CA -1.205 60.092 61.300 -0.005 0.000 0.918 796 I CB 2.026 40.043 38.000 0.028 0.000 1.337 796 I HN 0.546 nan 8.210 nan 0.000 0.482 797 T N -0.753 113.765 114.554 -0.060 0.000 2.908 797 T HA 0.422 4.771 4.350 -0.002 0.000 0.290 797 T C 0.486 175.129 174.700 -0.093 0.000 1.034 797 T CA -0.718 61.348 62.100 -0.057 0.000 1.010 797 T CB 2.288 71.153 68.868 -0.006 0.000 1.068 797 T HN 0.732 nan 8.240 nan 0.000 0.481 798 L N 2.005 123.183 121.223 -0.076 0.000 2.137 798 L HA -0.004 4.335 4.340 -0.002 0.000 0.213 798 L C 2.607 179.433 176.870 -0.073 0.000 1.085 798 L CA 2.452 57.243 54.840 -0.081 0.000 0.760 798 L CB -1.060 40.986 42.059 -0.021 0.000 0.893 798 L HN 0.951 nan 8.230 nan 0.000 0.434 799 A N -0.975 121.817 122.820 -0.048 0.000 1.972 799 A HA -0.216 4.102 4.320 -0.002 0.000 0.219 799 A C 1.868 179.410 177.584 -0.071 0.000 1.169 799 A CA 1.819 53.832 52.037 -0.041 0.000 0.635 799 A CB -0.741 18.249 19.000 -0.016 0.000 0.810 799 A HN 0.541 nan 8.150 nan 0.000 0.446 800 D N -0.606 119.731 120.400 -0.105 0.000 2.178 800 D HA -0.080 4.559 4.640 -0.002 0.000 0.202 800 D C 1.878 178.037 176.300 -0.235 0.000 0.974 800 D CA 1.656 55.562 54.000 -0.157 0.000 0.841 800 D CB -0.078 40.607 40.800 -0.192 0.000 0.953 800 D HN 0.491 nan 8.370 nan 0.000 0.478 801 V N -3.427 116.348 119.914 -0.231 0.000 3.644 801 V HA 0.667 4.786 4.120 -0.002 0.000 0.267 801 V C 0.535 176.550 176.094 -0.132 0.000 1.277 801 V CA 0.367 62.527 62.300 -0.233 0.000 1.096 801 V CB -0.261 31.416 31.823 -0.243 0.000 0.828 801 V HN 0.099 nan 8.190 nan 0.000 0.446 802 A N -0.129 122.633 122.820 -0.097 0.000 2.601 802 A HA 0.670 4.989 4.320 -0.002 0.000 0.291 802 A C -2.075 175.484 177.584 -0.042 0.000 1.075 802 A CA -0.554 51.447 52.037 -0.060 0.000 0.671 802 A CB 1.074 20.045 19.000 -0.048 0.000 1.277 802 A HN 0.213 nan 8.150 nan 0.000 0.417 803 D N 2.015 122.398 120.400 -0.028 0.000 2.373 803 D HA 0.409 5.048 4.640 -0.002 0.000 0.227 803 D C -0.123 176.172 176.300 -0.009 0.000 1.091 803 D CA 0.259 54.249 54.000 -0.017 0.000 0.840 803 D CB 1.373 42.165 40.800 -0.013 0.000 1.060 803 D HN 0.675 nan 8.370 nan 0.000 0.502 804 I N -0.339 120.229 120.570 -0.002 0.000 2.297 804 I HA 0.365 4.534 4.170 -0.002 0.000 0.291 804 I C -0.486 175.638 176.117 0.012 0.000 1.033 804 I CA -0.387 60.917 61.300 0.007 0.000 1.253 804 I CB 0.517 38.525 38.000 0.014 0.000 1.396 804 I HN -0.033 nan 8.210 nan 0.000 0.476 805 K N 5.088 125.498 120.400 0.015 0.000 2.354 805 K HA 0.775 5.094 4.320 -0.002 0.000 0.238 805 K C -0.958 175.660 176.600 0.031 0.000 1.068 805 K CA -0.952 55.347 56.287 0.019 0.000 0.925 805 K CB 2.124 34.634 32.500 0.017 0.000 1.286 805 K HN 0.450 nan 8.250 nan 0.000 0.500 806 V N 0.483 120.415 119.914 0.031 0.000 2.919 806 V HA 0.639 4.758 4.120 -0.002 0.000 0.316 806 V C -0.842 175.277 176.094 0.042 0.000 1.077 806 V CA -0.649 61.675 62.300 0.041 0.000 0.977 806 V CB 1.638 33.478 31.823 0.029 0.000 1.039 806 V HN 0.995 nan 8.190 nan 0.000 0.441 807 S N 0.215 115.948 115.700 0.055 0.000 2.606 807 S HA 0.407 4.876 4.470 -0.002 0.000 0.290 807 S C -0.616 173.994 174.600 0.017 0.000 1.103 807 S CA -0.342 57.882 58.200 0.040 0.000 0.870 807 S CB 1.269 64.503 63.200 0.057 0.000 1.077 807 S HN 1.241 nan 8.310 nan 0.000 0.448 808 T N 0.590 115.125 114.554 -0.032 0.000 2.898 808 T HA 0.718 5.067 4.350 -0.002 0.000 0.301 808 T C 0.742 175.365 174.700 -0.129 0.000 1.049 808 T CA 0.194 62.230 62.100 -0.107 0.000 1.095 808 T CB 0.734 69.551 68.868 -0.086 0.000 0.976 808 T HN 1.712 nan 8.240 nan 0.000 0.539 809 G N 1.039 109.663 108.800 -0.295 0.000 2.706 809 G HA2 0.609 4.568 3.960 -0.002 0.000 0.307 809 G HA3 0.609 4.568 3.960 -0.002 0.000 0.307 809 G C -3.359 171.380 174.900 -0.269 0.000 1.307 809 G CA -1.439 43.513 45.100 -0.247 0.000 0.790 809 G HN 0.577 nan 8.290 nan 0.000 0.503 810 P HA 0.180 nan 4.420 nan 0.000 0.266 810 P C 0.655 177.928 177.300 -0.044 0.000 1.215 810 P CA 0.240 63.325 63.100 -0.024 0.000 0.763 810 P CB 1.613 33.367 31.700 0.090 0.000 0.806 811 S N 3.938 119.596 115.700 -0.070 0.000 2.414 811 S HA 0.089 4.558 4.470 -0.002 0.000 0.227 811 S C 0.660 175.270 174.600 0.017 0.000 1.022 811 S CA 0.520 58.692 58.200 -0.046 0.000 0.958 811 S CB -0.236 62.919 63.200 -0.075 0.000 0.797 811 S HN 0.518 nan 8.310 nan 0.000 0.493 812 M N 0.507 120.107 119.600 0.000 0.000 2.562 812 M HA 0.414 4.893 4.480 -0.002 0.000 0.281 812 M C -2.611 173.680 176.300 -0.015 0.000 1.195 812 M CA -0.795 54.513 55.300 0.013 0.000 0.888 812 M CB 1.468 34.053 32.600 -0.024 0.000 1.731 812 M HN 0.076 nan 8.290 nan 0.000 0.493 813 L N 3.349 124.580 121.223 0.013 0.000 2.349 813 L HA 0.591 4.930 4.340 -0.002 0.000 0.278 813 L C -0.845 176.015 176.870 -0.017 0.000 0.996 813 L CA -0.197 54.637 54.840 -0.010 0.000 0.825 813 L CB 1.928 44.016 42.059 0.048 0.000 1.243 813 L HN 0.607 nan 8.230 nan 0.000 0.412 814 K N 1.462 121.773 120.400 -0.149 0.000 2.164 814 K HA 0.871 5.189 4.320 -0.002 0.000 0.258 814 K C -0.493 176.064 176.600 -0.072 0.000 0.951 814 K CA -0.681 55.502 56.287 -0.173 0.000 0.844 814 K CB 2.048 34.103 32.500 -0.741 0.000 1.099 814 K HN 0.698 nan 8.250 nan 0.000 0.435 815 T N -1.111 113.558 114.554 0.192 0.000 2.993 815 T HA 0.253 4.602 4.350 -0.002 0.000 0.312 815 T C -1.081 173.830 174.700 0.351 0.000 1.115 815 T CA -0.988 61.252 62.100 0.233 0.000 1.027 815 T CB 1.689 70.589 68.868 0.053 0.000 1.116 815 T HN 0.448 nan 8.240 nan 0.000 0.464 816 E N 2.600 122.991 120.200 0.318 0.000 2.028 816 E HA 0.422 4.771 4.350 -0.002 0.000 0.266 816 E C -0.565 176.069 176.600 0.055 0.000 0.962 816 E CA -0.137 56.362 56.400 0.165 0.000 0.784 816 E CB -0.443 29.312 29.700 0.092 0.000 1.114 816 E HN 0.631 nan 8.360 nan 0.000 0.414 817 N N 4.066 122.776 118.700 0.017 0.000 2.846 817 N HA -0.214 4.525 4.740 -0.002 0.000 0.249 817 N C 0.293 175.767 175.510 -0.060 0.000 1.090 817 N CA 0.920 53.954 53.050 -0.027 0.000 0.674 817 N CB -1.749 36.723 38.487 -0.024 0.000 0.938 817 N HN 0.768 nan 8.380 nan 0.000 0.559 818 A N -1.786 120.967 122.820 -0.112 0.000 4.287 818 A HA -0.360 3.959 4.320 -0.002 0.000 0.258 818 A C 0.618 178.063 177.584 -0.232 0.000 0.811 818 A CA 1.922 53.824 52.037 -0.226 0.000 1.245 818 A CB -1.585 17.320 19.000 -0.159 0.000 1.055 818 A HN 0.893 nan 8.150 nan 0.000 0.763 819 R N -0.280 120.166 120.500 -0.091 0.000 2.368 819 R HA 0.611 4.950 4.340 -0.002 0.000 0.302 819 R C -3.227 173.079 176.300 0.010 0.000 1.002 819 R CA -1.912 54.170 56.100 -0.029 0.000 0.929 819 R CB 0.681 30.985 30.300 0.007 0.000 1.073 819 R HN 0.195 nan 8.270 nan 0.000 0.464 820 P HA 0.072 nan 4.420 nan 0.000 0.280 820 P C -0.864 176.478 177.300 0.070 0.000 1.300 820 P CA -0.095 63.037 63.100 0.053 0.000 0.785 820 P CB 1.277 33.015 31.700 0.064 0.000 0.874 821 T N -0.125 114.504 114.554 0.125 0.000 2.848 821 T HA 0.544 4.893 4.350 -0.002 0.000 0.285 821 T C -0.207 174.563 174.700 0.117 0.000 0.995 821 T CA -0.772 61.435 62.100 0.178 0.000 0.970 821 T CB 0.732 69.778 68.868 0.298 0.000 0.976 821 T HN 0.197 nan 8.240 nan 0.000 0.441 822 S N 3.965 119.686 115.700 0.034 0.000 2.475 822 S HA 0.500 4.969 4.470 -0.002 0.000 0.281 822 S C -0.574 174.069 174.600 0.072 0.000 1.198 822 S CA -0.914 57.214 58.200 -0.121 0.000 1.063 822 S CB 0.024 63.153 63.200 -0.119 0.000 0.972 822 S HN 0.749 nan 8.310 nan 0.000 0.486 823 W N 4.406 125.606 121.300 -0.167 0.000 2.288 823 W HA 0.457 5.116 4.660 -0.002 0.000 0.325 823 W C -0.470 175.716 176.519 -0.555 0.000 1.019 823 W CA -2.367 54.840 57.345 -0.231 0.000 1.403 823 W CB -1.152 28.257 29.460 -0.086 0.000 1.226 823 W HN 0.520 nan 8.180 nan 0.000 0.391 824 I N 3.237 123.690 120.570 -0.196 0.000 2.696 824 I HA 0.044 4.213 4.170 -0.002 0.000 0.284 824 I C -0.425 175.530 176.117 -0.269 0.000 1.129 824 I CA -0.304 60.818 61.300 -0.297 0.000 1.410 824 I CB 0.175 38.117 38.000 -0.098 0.000 1.399 824 I HN 0.131 nan 8.210 nan 0.000 0.579 825 Y N 5.751 126.100 120.300 0.081 0.000 2.587 825 Y HA 0.505 5.053 4.550 -0.002 0.000 0.328 825 Y C -0.385 175.545 175.900 0.050 0.000 0.980 825 Y CA -1.567 56.577 58.100 0.073 0.000 1.272 825 Y CB 0.142 38.641 38.460 0.065 0.000 1.094 825 Y HN 0.269 nan 8.280 nan 0.000 0.503 826 I N 0.809 121.488 120.570 0.182 0.000 2.404 826 I HA 0.791 4.960 4.170 -0.002 0.000 0.293 826 I C -0.805 175.366 176.117 0.089 0.000 0.992 826 I CA -1.649 59.715 61.300 0.107 0.000 1.149 826 I CB 1.838 39.883 38.000 0.075 0.000 1.315 826 I HN 0.504 nan 8.210 nan 0.000 0.446 827 D N 3.693 124.128 120.400 0.059 0.000 2.787 827 D HA 0.725 5.364 4.640 -0.002 0.000 0.215 827 D C -1.496 174.813 176.300 0.015 0.000 1.246 827 D CA -0.557 53.464 54.000 0.036 0.000 0.798 827 D CB 1.301 42.126 40.800 0.041 0.000 1.649 827 D HN 0.895 nan 8.370 nan 0.000 0.507 828 A N 1.704 124.525 122.820 0.001 0.000 2.288 828 A HA 0.921 5.239 4.320 -0.002 0.000 0.328 828 A C -0.474 177.099 177.584 -0.018 0.000 1.123 828 A CA -0.873 51.160 52.037 -0.008 0.000 0.861 828 A CB 1.136 20.129 19.000 -0.012 0.000 1.272 828 A HN 0.458 nan 8.150 nan 0.000 0.490 829 R N 0.435 120.920 120.500 -0.025 0.000 2.670 829 R HA 0.456 4.795 4.340 -0.002 0.000 0.289 829 R C -0.923 175.343 176.300 -0.057 0.000 0.965 829 R CA -0.475 55.599 56.100 -0.043 0.000 0.899 829 R CB 1.001 31.279 30.300 -0.037 0.000 1.173 829 R HN 0.850 nan 8.270 nan 0.000 0.456 830 D N -0.060 120.278 120.400 -0.103 0.000 3.028 830 D HA -0.178 4.461 4.640 -0.002 0.000 0.207 830 D C -0.203 176.047 176.300 -0.084 0.000 1.100 830 D CA 1.137 55.058 54.000 -0.130 0.000 0.995 830 D CB -0.030 40.730 40.800 -0.067 0.000 1.108 830 D HN 0.199 nan 8.370 nan 0.000 0.421 831 R N 1.468 121.933 120.500 -0.060 0.000 2.393 831 R HA 0.226 4.565 4.340 -0.002 0.000 0.315 831 R C -1.110 175.173 176.300 -0.029 0.000 0.952 831 R CA -0.573 55.508 56.100 -0.031 0.000 0.842 831 R CB 0.764 31.055 30.300 -0.015 0.000 1.163 831 R HN -0.224 nan 8.270 nan 0.000 0.450 832 D N 4.758 125.148 120.400 -0.017 0.000 2.422 832 D HA -0.043 4.596 4.640 -0.002 0.000 0.283 832 D C 0.273 176.591 176.300 0.030 0.000 1.428 832 D CA 0.483 54.489 54.000 0.010 0.000 1.117 832 D CB 0.161 40.974 40.800 0.023 0.000 1.120 832 D HN 0.329 nan 8.370 nan 0.000 0.543 833 M N 2.093 121.710 119.600 0.029 0.000 3.709 833 M HA 0.015 4.493 4.480 -0.002 0.000 0.197 833 M C 1.072 177.379 176.300 0.011 0.000 1.511 833 M CA -0.053 55.246 55.300 -0.001 0.000 1.688 833 M CB 0.084 32.665 32.600 -0.032 0.000 1.109 833 M HN 0.056 nan 8.290 nan 0.000 0.561 834 V N -2.023 117.937 119.914 0.077 0.000 2.949 834 V HA -0.028 4.091 4.120 -0.002 0.000 0.245 834 V C 1.815 177.933 176.094 0.041 0.000 1.086 834 V CA 1.163 63.563 62.300 0.167 0.000 1.097 834 V CB 0.046 32.001 31.823 0.220 0.000 0.762 834 V HN 0.646 nan 8.190 nan 0.000 0.470 835 S N 0.197 115.902 115.700 0.009 0.000 2.470 835 S HA -0.020 4.448 4.470 -0.002 0.000 0.225 835 S C 1.857 176.430 174.600 -0.045 0.000 1.006 835 S CA 0.729 58.923 58.200 -0.010 0.000 0.934 835 S CB 0.335 63.532 63.200 -0.005 0.000 0.778 835 S HN 0.354 nan 8.310 nan 0.000 0.517 836 V N 2.213 122.079 119.914 -0.079 0.000 3.041 836 V HA -0.060 4.059 4.120 -0.002 0.000 0.260 836 V C 2.317 178.305 176.094 -0.176 0.000 1.105 836 V CA 1.226 63.465 62.300 -0.101 0.000 1.125 836 V CB -0.352 31.418 31.823 -0.088 0.000 0.730 836 V HN 0.570 nan 8.190 nan 0.000 0.479 837 V N -2.105 117.632 119.914 -0.296 0.000 2.379 837 V HA -0.133 3.986 4.120 -0.002 0.000 0.243 837 V C 2.366 178.224 176.094 -0.394 0.000 1.035 837 V CA 1.785 63.778 62.300 -0.513 0.000 1.035 837 V CB -0.925 30.284 31.823 -1.022 0.000 0.673 837 V HN 0.538 nan 8.190 nan 0.000 0.457 838 H N 2.181 121.074 119.070 -0.296 0.000 2.326 838 H HA -0.137 4.418 4.556 -0.002 0.000 0.301 838 H C 2.269 177.522 175.328 -0.124 0.000 1.081 838 H CA 2.395 58.331 56.048 -0.188 0.000 1.334 838 H CB -0.349 29.356 29.762 -0.096 0.000 1.385 838 H HN 0.770 nan 8.280 nan 0.000 0.504 839 D N 0.817 121.276 120.400 0.098 0.000 2.123 839 D HA -0.193 4.445 4.640 -0.002 0.000 0.196 839 D C 2.438 178.743 176.300 0.007 0.000 0.992 839 D CA 1.114 55.150 54.000 0.059 0.000 0.833 839 D CB -1.054 39.757 40.800 0.018 0.000 0.954 839 D HN 0.477 nan 8.370 nan 0.000 0.455 840 L N 0.369 121.564 121.223 -0.046 0.000 2.046 840 L HA -0.230 4.109 4.340 -0.002 0.000 0.208 840 L C 2.805 179.664 176.870 -0.018 0.000 1.077 840 L CA 1.988 56.804 54.840 -0.040 0.000 0.747 840 L CB -0.521 41.497 42.059 -0.067 0.000 0.896 840 L HN 0.103 nan 8.230 nan 0.000 0.432 841 Q N -0.424 119.325 119.800 -0.085 0.000 2.119 841 Q HA -0.220 4.119 4.340 -0.002 0.000 0.201 841 Q C 2.040 178.042 176.000 0.004 0.000 0.972 841 Q CA 1.598 57.397 55.803 -0.008 0.000 0.847 841 Q CB -0.303 28.341 28.738 -0.157 0.000 0.903 841 Q HN 0.458 nan 8.270 nan 0.000 0.433 842 K N 0.271 120.660 120.400 -0.019 0.000 2.116 842 K HA 0.032 4.351 4.320 -0.002 0.000 0.203 842 K C 2.232 178.850 176.600 0.029 0.000 1.052 842 K CA 0.824 57.123 56.287 0.020 0.000 0.952 842 K CB -0.149 32.391 32.500 0.066 0.000 0.729 842 K HN 0.336 nan 8.250 nan 0.000 0.446 843 A N 2.138 124.974 122.820 0.027 0.000 1.865 843 A HA -0.205 4.114 4.320 -0.002 0.000 0.217 843 A C 2.114 179.713 177.584 0.025 0.000 1.191 843 A CA 1.548 53.599 52.037 0.024 0.000 0.623 843 A CB -0.702 18.308 19.000 0.018 0.000 0.826 843 A HN 0.427 nan 8.150 nan 0.000 0.444 844 I N -0.788 119.802 120.570 0.032 0.000 2.264 844 I HA -0.217 3.952 4.170 -0.002 0.000 0.248 844 I C 2.371 178.504 176.117 0.028 0.000 1.111 844 I CA 1.632 62.953 61.300 0.033 0.000 1.382 844 I CB -0.158 37.872 38.000 0.051 0.000 1.060 844 I HN 0.290 nan 8.210 nan 0.000 0.418 845 A N 0.173 123.011 122.820 0.031 0.000 2.066 845 A HA -0.152 4.167 4.320 -0.002 0.000 0.218 845 A C 2.096 179.693 177.584 0.021 0.000 1.157 845 A CA 1.473 53.525 52.037 0.026 0.000 0.670 845 A CB -0.489 18.528 19.000 0.028 0.000 0.804 845 A HN 0.635 nan 8.150 nan 0.000 0.453 846 E N -1.591 118.622 120.200 0.022 0.000 2.190 846 E HA -0.027 4.322 4.350 -0.002 0.000 0.191 846 E C 1.492 178.101 176.600 0.015 0.000 0.978 846 E CA 1.008 57.419 56.400 0.019 0.000 0.839 846 E CB 0.133 29.845 29.700 0.020 0.000 0.787 846 E HN 0.372 nan 8.360 nan 0.000 0.473 847 K N -0.165 120.244 120.400 0.014 0.000 2.562 847 K HA 0.082 4.401 4.320 -0.002 0.000 0.218 847 K C -0.660 175.946 176.600 0.010 0.000 1.374 847 K CA -0.011 56.283 56.287 0.011 0.000 0.996 847 K CB 1.875 34.382 32.500 0.011 0.000 1.127 847 K HN 0.010 nan 8.250 nan 0.000 0.603 848 V N 0.555 120.476 119.914 0.011 0.000 2.409 848 V HA 0.582 4.701 4.120 -0.002 0.000 0.291 848 V C -1.152 174.947 176.094 0.008 0.000 1.020 848 V CA -0.539 61.767 62.300 0.009 0.000 0.848 848 V CB 1.514 33.342 31.823 0.009 0.000 0.990 848 V HN 0.102 nan 8.190 nan 0.000 0.430 849 Q N 4.573 124.376 119.800 0.005 0.000 2.226 849 Q HA 0.719 5.058 4.340 -0.002 0.000 0.256 849 Q C -0.941 175.059 176.000 0.000 0.000 0.962 849 Q CA -0.652 55.153 55.803 0.004 0.000 0.887 849 Q CB 2.563 31.304 28.738 0.004 0.000 1.282 849 Q HN 0.855 nan 8.270 nan 0.000 0.449 850 L N 1.454 122.676 121.223 -0.001 0.000 2.325 850 L HA 0.453 4.792 4.340 -0.002 0.000 0.279 850 L C -0.018 176.850 176.870 -0.003 0.000 1.054 850 L CA -0.871 53.966 54.840 -0.006 0.000 0.804 850 L CB 0.759 42.812 42.059 -0.010 0.000 1.200 850 L HN 0.344 nan 8.230 nan 0.000 0.436 851 K N 2.607 123.005 120.400 -0.003 0.000 2.298 851 K HA 0.267 4.585 4.320 -0.002 0.000 0.280 851 K C -2.270 174.330 176.600 0.001 0.000 1.032 851 K CA -1.674 54.613 56.287 -0.000 0.000 0.958 851 K CB 0.491 32.991 32.500 -0.000 0.000 0.978 851 K HN 0.253 nan 8.250 nan 0.000 0.472 852 P HA -0.097 nan 4.420 nan 0.000 0.261 852 P C 0.307 177.610 177.300 0.005 0.000 1.173 852 P CA 0.889 63.991 63.100 0.004 0.000 0.760 852 P CB 0.314 32.017 31.700 0.005 0.000 0.783 853 G N 1.072 109.875 108.800 0.005 0.000 2.164 853 G HA2 -0.124 3.835 3.960 -0.002 0.000 0.212 853 G HA3 -0.124 3.835 3.960 -0.002 0.000 0.212 853 G C -0.086 174.818 174.900 0.006 0.000 1.031 853 G CA -0.215 44.890 45.100 0.007 0.000 0.730 853 G HN 0.671 nan 8.290 nan 0.000 0.501 854 T N -0.140 114.415 114.554 0.001 0.000 3.041 854 T HA 0.738 5.086 4.350 -0.002 0.000 0.321 854 T C -0.154 174.538 174.700 -0.012 0.000 1.184 854 T CA 0.185 62.282 62.100 -0.004 0.000 1.050 854 T CB 2.106 70.971 68.868 -0.006 0.000 1.159 854 T HN 1.390 nan 8.240 nan 0.000 0.469 855 S N 1.007 116.695 115.700 -0.020 0.000 2.632 855 S HA 0.943 5.411 4.470 -0.002 0.000 0.289 855 S C -1.213 173.348 174.600 -0.065 0.000 1.115 855 S CA -0.745 57.434 58.200 -0.035 0.000 0.889 855 S CB 1.823 65.007 63.200 -0.027 0.000 1.116 855 S HN 0.539 nan 8.310 nan 0.000 0.486 856 V N 0.539 120.388 119.914 -0.108 0.000 2.841 856 V HA 0.916 5.034 4.120 -0.002 0.000 0.310 856 V C -0.222 175.683 176.094 -0.315 0.000 1.090 856 V CA -0.150 62.027 62.300 -0.205 0.000 0.930 856 V CB 1.553 33.233 31.823 -0.239 0.000 1.014 856 V HN 1.433 nan 8.190 nan 0.000 0.425 857 A N 3.524 126.104 122.820 -0.399 0.000 2.556 857 A HA 0.984 5.303 4.320 -0.002 0.000 0.294 857 A C -1.555 175.719 177.584 -0.516 0.000 1.091 857 A CA -0.465 51.326 52.037 -0.411 0.000 0.704 857 A CB 1.508 20.425 19.000 -0.138 0.000 1.300 857 A HN 0.579 nan 8.150 nan 0.000 0.406 858 F N 0.870 120.840 119.950 0.033 0.000 2.507 858 F HA 0.812 5.338 4.527 -0.002 0.000 0.327 858 F C 0.965 176.824 175.800 0.097 0.000 1.068 858 F CA 0.194 58.226 58.000 0.053 0.000 0.965 858 F CB 2.272 41.293 39.000 0.034 0.000 1.192 858 F HN 0.875 nan 8.300 nan 0.000 0.476 859 S N -0.230 115.642 115.700 0.286 0.000 2.755 859 S HA 0.913 5.382 4.470 -0.002 0.000 0.286 859 S C -0.391 174.324 174.600 0.192 0.000 1.207 859 S CA -0.222 58.096 58.200 0.197 0.000 0.892 859 S CB 1.211 64.440 63.200 0.048 0.000 1.240 859 S HN 1.976 nan 8.310 nan 0.000 0.525 860 G N 0.615 109.486 108.800 0.119 0.000 2.460 860 G HA2 -0.093 3.866 3.960 -0.002 0.000 0.207 860 G HA3 -0.093 3.866 3.960 -0.002 0.000 0.207 860 G C 0.316 175.262 174.900 0.078 0.000 1.170 860 G CA 0.309 45.471 45.100 0.104 0.000 1.151 860 G HN 0.784 nan 8.290 nan 0.000 0.575 861 Q N -0.557 119.293 119.800 0.084 0.000 2.123 861 Q HA 0.071 4.409 4.340 -0.002 0.000 0.199 861 Q C 2.387 178.432 176.000 0.076 0.000 0.966 861 Q CA 1.689 57.526 55.803 0.057 0.000 0.845 861 Q CB -0.048 28.712 28.738 0.037 0.000 0.907 861 Q HN 0.534 nan 8.270 nan 0.000 0.439 862 F N 2.183 122.133 119.950 0.001 0.000 2.115 862 F HA -0.271 4.255 4.527 -0.002 0.000 0.300 862 F C 1.884 177.682 175.800 -0.004 0.000 1.092 862 F CA 1.565 59.563 58.000 -0.004 0.000 1.245 862 F CB 0.079 39.079 39.000 -0.001 0.000 0.995 862 F HN 0.040 nan 8.300 nan 0.000 0.481 863 E N 0.093 120.153 120.200 -0.233 0.000 2.265 863 E HA -0.215 4.134 4.350 -0.002 0.000 0.196 863 E C 1.952 178.406 176.600 -0.244 0.000 0.996 863 E CA 0.999 57.207 56.400 -0.319 0.000 0.832 863 E CB -0.205 29.432 29.700 -0.104 0.000 0.756 863 E HN 0.445 nan 8.360 nan 0.000 0.491 864 L N 0.640 121.773 121.223 -0.151 0.000 1.993 864 L HA -0.150 4.189 4.340 -0.002 0.000 0.206 864 L C 2.011 178.817 176.870 -0.107 0.000 1.074 864 L CA 1.422 56.203 54.840 -0.098 0.000 0.746 864 L CB -0.684 41.347 42.059 -0.047 0.000 0.896 864 L HN 0.075 nan 8.230 nan 0.000 0.435 865 L N 0.229 121.393 121.223 -0.097 0.000 1.990 865 L HA -0.266 4.073 4.340 -0.002 0.000 0.213 865 L C 2.624 179.444 176.870 -0.083 0.000 1.072 865 L CA 1.986 56.786 54.840 -0.067 0.000 0.755 865 L CB -1.619 40.418 42.059 -0.036 0.000 0.889 865 L HN 0.479 nan 8.230 nan 0.000 0.432 866 E N -0.815 119.287 120.200 -0.164 0.000 2.208 866 E HA -0.267 4.082 4.350 -0.002 0.000 0.202 866 E C 2.318 178.828 176.600 -0.150 0.000 1.014 866 E CA 1.276 57.582 56.400 -0.157 0.000 0.819 866 E CB -0.049 29.478 29.700 -0.287 0.000 0.735 866 E HN 0.474 nan 8.360 nan 0.000 0.469 867 R N -0.302 120.098 120.500 -0.168 0.000 2.080 867 R HA 0.049 4.388 4.340 -0.002 0.000 0.222 867 R C 2.298 178.560 176.300 -0.063 0.000 1.107 867 R CA 0.797 56.789 56.100 -0.179 0.000 0.980 867 R CB -0.080 30.133 30.300 -0.145 0.000 0.879 867 R HN 0.070 nan 8.270 nan 0.000 0.439 868 A N 1.802 124.604 122.820 -0.031 0.000 1.826 868 A HA -0.199 4.120 4.320 -0.002 0.000 0.214 868 A C 1.925 179.534 177.584 0.043 0.000 1.212 868 A CA 1.417 53.459 52.037 0.009 0.000 0.605 868 A CB -0.944 18.053 19.000 -0.006 0.000 0.861 868 A HN 0.282 nan 8.150 nan 0.000 0.447 869 N N -0.049 118.670 118.700 0.032 0.000 2.036 869 N HA -0.302 4.436 4.740 -0.002 0.000 0.199 869 N C 1.839 177.404 175.510 0.090 0.000 1.036 869 N CA 2.423 55.501 53.050 0.047 0.000 0.870 869 N CB -0.750 37.758 38.487 0.035 0.000 1.055 869 N HN 0.692 nan 8.380 nan 0.000 0.436 870 H N 0.479 119.537 119.070 -0.019 0.000 2.353 870 H HA -0.110 4.445 4.556 -0.002 0.000 0.298 870 H C 1.836 177.159 175.328 -0.008 0.000 1.103 870 H CA 2.209 58.248 56.048 -0.014 0.000 1.293 870 H CB -0.265 29.484 29.762 -0.021 0.000 1.372 870 H HN 0.146 nan 8.280 nan 0.000 0.501 871 K N 0.427 121.090 120.400 0.439 0.000 2.155 871 K HA -0.014 4.305 4.320 -0.002 0.000 0.203 871 K C 2.370 179.022 176.600 0.086 0.000 1.052 871 K CA 0.498 56.952 56.287 0.278 0.000 0.948 871 K CB -0.471 32.141 32.500 0.186 0.000 0.728 871 K HN 0.228 nan 8.250 nan 0.000 0.448 872 L N 0.909 122.167 121.223 0.058 0.000 2.005 872 L HA -0.148 4.191 4.340 -0.002 0.000 0.207 872 L C 1.616 178.486 176.870 -0.001 0.000 1.072 872 L CA 1.900 56.751 54.840 0.017 0.000 0.744 872 L CB -0.786 41.279 42.059 0.010 0.000 0.895 872 L HN 0.145 nan 8.230 nan 0.000 0.433 873 K N -0.178 120.216 120.400 -0.011 0.000 2.074 873 K HA -0.205 4.114 4.320 -0.002 0.000 0.209 873 K C 2.016 178.582 176.600 -0.056 0.000 1.048 873 K CA 1.009 57.276 56.287 -0.034 0.000 0.926 873 K CB -0.881 31.591 32.500 -0.046 0.000 0.713 873 K HN 0.318 nan 8.250 nan 0.000 0.444 874 L N 0.874 122.039 121.223 -0.097 0.000 2.079 874 L HA -0.170 4.169 4.340 -0.002 0.000 0.210 874 L C 1.931 178.783 176.870 -0.030 0.000 1.081 874 L CA 1.667 56.455 54.840 -0.087 0.000 0.752 874 L CB -0.506 41.485 42.059 -0.113 0.000 0.896 874 L HN 0.167 nan 8.230 nan 0.000 0.433 875 M N -0.266 119.326 119.600 -0.013 0.000 2.374 875 M HA -0.094 4.385 4.480 -0.002 0.000 0.264 875 M C 2.295 178.598 176.300 0.005 0.000 1.067 875 M CA 1.395 56.697 55.300 0.003 0.000 1.103 875 M CB -1.392 31.211 32.600 0.006 0.000 1.402 875 M HN 0.357 nan 8.290 nan 0.000 0.444 876 V N -1.422 118.492 119.914 0.000 0.000 2.427 876 V HA -0.059 4.060 4.120 -0.002 0.000 0.248 876 V C -0.687 175.414 176.094 0.012 0.000 1.051 876 V CA 0.956 63.261 62.300 0.009 0.000 1.048 876 V CB -2.638 29.191 31.823 0.009 0.000 0.666 876 V HN 0.182 nan 8.190 nan 0.000 0.456 877 P HA -0.060 nan 4.420 nan 0.000 0.214 877 P C 2.302 179.616 177.300 0.023 0.000 1.162 877 P CA 1.584 64.689 63.100 0.010 0.000 0.879 877 P CB -0.207 31.491 31.700 -0.002 0.000 0.786 878 M N -1.110 118.502 119.600 0.019 0.000 2.082 878 M HA -0.164 4.315 4.480 -0.002 0.000 0.258 878 M C 2.220 178.542 176.300 0.038 0.000 1.069 878 M CA 2.086 57.403 55.300 0.029 0.000 1.102 878 M CB -2.134 30.480 32.600 0.024 0.000 1.336 878 M HN 0.024 nan 8.290 nan 0.000 0.404 879 T N 0.639 115.212 114.554 0.033 0.000 2.904 879 T HA -0.004 4.345 4.350 -0.002 0.000 0.267 879 T C 1.887 176.619 174.700 0.053 0.000 1.059 879 T CA 0.714 62.836 62.100 0.037 0.000 1.137 879 T CB 0.083 68.968 68.868 0.027 0.000 0.879 879 T HN 0.276 nan 8.240 nan 0.000 0.467 880 L N 0.232 121.488 121.223 0.056 0.000 2.095 880 L HA -0.000 4.338 4.340 -0.002 0.000 0.204 880 L C 2.648 179.589 176.870 0.120 0.000 1.080 880 L CA 0.727 55.613 54.840 0.078 0.000 0.759 880 L CB -0.437 41.655 42.059 0.055 0.000 0.914 880 L HN 0.289 nan 8.230 nan 0.000 0.439 881 M N -0.519 119.143 119.600 0.103 0.000 2.175 881 M HA -0.166 4.312 4.480 -0.002 0.000 0.264 881 M C 2.310 178.704 176.300 0.157 0.000 1.063 881 M CA 1.586 56.971 55.300 0.141 0.000 1.119 881 M CB -1.141 31.517 32.600 0.096 0.000 1.377 881 M HN 0.193 nan 8.290 nan 0.000 0.415 882 I N 0.287 120.917 120.570 0.101 0.000 2.546 882 I HA -0.147 4.022 4.170 -0.002 0.000 0.255 882 I C 1.927 178.086 176.117 0.069 0.000 1.163 882 I CA 0.968 62.312 61.300 0.072 0.000 1.457 882 I CB -0.287 37.740 38.000 0.045 0.000 1.092 882 I HN 0.021 nan 8.210 nan 0.000 0.434 883 I N 0.002 120.630 120.570 0.098 0.000 2.193 883 I HA -0.232 3.937 4.170 -0.002 0.000 0.240 883 I C 2.340 178.545 176.117 0.147 0.000 1.084 883 I CA 1.562 62.921 61.300 0.097 0.000 1.365 883 I CB -0.962 37.099 38.000 0.100 0.000 1.064 883 I HN 0.343 nan 8.210 nan 0.000 0.410 884 F N 0.636 120.640 119.950 0.090 0.000 2.126 884 F HA -0.261 4.265 4.527 -0.002 0.000 0.299 884 F C 2.329 178.282 175.800 0.255 0.000 1.096 884 F CA 1.600 59.697 58.000 0.162 0.000 1.255 884 F CB -0.265 38.819 39.000 0.140 0.000 0.997 884 F HN -0.106 nan 8.300 nan 0.000 0.479 885 V N 0.983 120.871 119.914 -0.043 0.000 2.392 885 V HA -0.288 3.831 4.120 -0.002 0.000 0.249 885 V C 1.901 177.760 176.094 -0.393 0.000 1.059 885 V CA 1.784 63.940 62.300 -0.241 0.000 1.051 885 V CB -0.740 31.044 31.823 -0.065 0.000 0.658 885 V HN 0.372 nan 8.190 nan 0.000 0.455 886 L N -0.952 120.155 121.223 -0.194 0.000 2.728 886 L HA 0.249 4.588 4.340 -0.002 0.000 0.235 886 L C 1.485 178.285 176.870 -0.116 0.000 1.197 886 L CA 0.218 54.956 54.840 -0.170 0.000 0.992 886 L CB 0.066 42.070 42.059 -0.093 0.000 1.263 886 L HN 0.256 nan 8.230 nan 0.000 0.484 887 L N -1.168 119.990 121.223 -0.109 0.000 2.467 887 L HA 0.014 4.353 4.340 -0.002 0.000 0.213 887 L C 1.095 178.016 176.870 0.085 0.000 1.053 887 L CA 0.269 55.130 54.840 0.035 0.000 0.847 887 L CB 0.232 42.384 42.059 0.155 0.000 1.075 887 L HN 0.388 nan 8.230 nan 0.000 0.479 888 Y N -0.591 119.618 120.300 -0.152 0.000 2.801 888 Y HA 0.359 4.907 4.550 -0.002 0.000 0.318 888 Y C 1.155 177.005 175.900 -0.083 0.000 1.073 888 Y CA -0.736 57.321 58.100 -0.072 0.000 1.360 888 Y CB -0.766 37.618 38.460 -0.128 0.000 1.220 888 Y HN 0.045 nan 8.280 nan 0.000 0.536 889 L N -1.844 119.185 121.223 -0.323 0.000 2.408 889 L HA 0.516 4.854 4.340 -0.002 0.000 0.215 889 L C 1.891 178.611 176.870 -0.250 0.000 1.081 889 L CA 1.080 55.712 54.840 -0.346 0.000 0.840 889 L CB -0.180 41.687 42.059 -0.320 0.000 1.002 889 L HN 0.179 nan 8.230 nan 0.000 0.468 890 A N 0.064 122.707 122.820 -0.294 0.000 1.975 890 A HA 0.174 4.492 4.320 -0.002 0.000 0.215 890 A C 1.463 178.572 177.584 -0.791 0.000 1.170 890 A CA 0.930 52.591 52.037 -0.626 0.000 0.656 890 A CB -0.426 18.006 19.000 -0.947 0.000 0.821 890 A HN 0.551 nan 8.150 nan 0.000 0.449 891 F N -2.368 117.566 119.950 -0.026 0.000 2.746 891 F HA 0.350 4.876 4.527 -0.002 0.000 0.320 891 F C 1.222 177.041 175.800 0.032 0.000 1.097 891 F CA 0.239 58.239 58.000 -0.000 0.000 1.195 891 F CB 0.532 39.531 39.000 -0.002 0.000 1.056 891 F HN 0.284 nan 8.300 nan 0.000 0.562 892 R N 0.896 121.497 120.500 0.169 0.000 3.385 892 R HA -0.237 4.102 4.340 -0.002 0.000 0.368 892 R C 0.375 176.866 176.300 0.319 0.000 0.508 892 R CA 1.197 57.402 56.100 0.176 0.000 1.497 892 R CB -0.911 29.454 30.300 0.108 0.000 1.814 892 R HN 0.366 nan 8.270 nan 0.000 0.356 893 R N 0.886 121.547 120.500 0.267 0.000 2.604 893 R HA 0.392 4.731 4.340 -0.002 0.000 0.287 893 R C 1.289 177.678 176.300 0.149 0.000 0.970 893 R CA 0.206 56.406 56.100 0.166 0.000 0.946 893 R CB 1.801 32.159 30.300 0.096 0.000 1.127 893 R HN 0.154 nan 8.270 nan 0.000 0.473 894 V N 3.736 123.651 119.914 0.001 0.000 3.129 894 V HA 0.124 4.243 4.120 -0.002 0.000 0.259 894 V C 1.515 177.688 176.094 0.132 0.000 1.116 894 V CA 1.932 64.268 62.300 0.061 0.000 1.127 894 V CB -0.371 31.479 31.823 0.046 0.000 0.742 894 V HN 0.964 nan 8.190 nan 0.000 0.474 895 G N 1.575 110.427 108.800 0.087 0.000 2.513 895 G HA2 -0.374 3.584 3.960 -0.002 0.000 0.219 895 G HA3 -0.374 3.584 3.960 -0.002 0.000 0.219 895 G C 1.395 176.369 174.900 0.124 0.000 1.160 895 G CA 1.321 46.475 45.100 0.090 0.000 0.767 895 G HN 0.845 nan 8.290 nan 0.000 0.571 896 E N 0.565 120.850 120.200 0.142 0.000 2.106 896 E HA 0.139 4.488 4.350 -0.002 0.000 0.192 896 E C 2.586 179.261 176.600 0.124 0.000 0.984 896 E CA 1.095 57.558 56.400 0.106 0.000 0.806 896 E CB -0.441 29.279 29.700 0.033 0.000 0.750 896 E HN 0.336 nan 8.360 nan 0.000 0.458 897 A N 2.322 125.261 122.820 0.198 0.000 1.902 897 A HA -0.121 4.197 4.320 -0.002 0.000 0.217 897 A C 2.333 180.043 177.584 0.210 0.000 1.181 897 A CA 1.343 53.540 52.037 0.266 0.000 0.623 897 A CB -0.887 18.402 19.000 0.482 0.000 0.818 897 A HN 0.455 nan 8.150 nan 0.000 0.443 898 L N -0.951 120.368 121.223 0.161 0.000 2.013 898 L HA -0.190 4.148 4.340 -0.002 0.000 0.212 898 L C 2.328 179.240 176.870 0.070 0.000 1.073 898 L CA 1.773 56.661 54.840 0.080 0.000 0.753 898 L CB -0.237 41.853 42.059 0.052 0.000 0.890 898 L HN 0.336 nan 8.230 nan 0.000 0.432 899 L N 0.346 121.614 121.223 0.075 0.000 2.056 899 L HA -0.213 4.126 4.340 -0.002 0.000 0.207 899 L C 2.614 179.508 176.870 0.039 0.000 1.078 899 L CA 1.981 56.853 54.840 0.055 0.000 0.749 899 L CB -1.009 41.086 42.059 0.059 0.000 0.901 899 L HN 0.539 nan 8.230 nan 0.000 0.433 900 I N -0.236 120.363 120.570 0.047 0.000 2.151 900 I HA -0.351 3.818 4.170 -0.002 0.000 0.243 900 I C 2.465 178.607 176.117 0.042 0.000 1.080 900 I CA 1.925 63.248 61.300 0.038 0.000 1.339 900 I CB -0.558 37.474 38.000 0.054 0.000 1.039 900 I HN 0.210 nan 8.210 nan 0.000 0.409 901 I N 0.976 121.582 120.570 0.060 0.000 2.151 901 I HA -0.326 3.843 4.170 -0.002 0.000 0.243 901 I C 2.912 179.053 176.117 0.040 0.000 1.080 901 I CA 1.890 63.221 61.300 0.051 0.000 1.339 901 I CB -0.547 37.485 38.000 0.053 0.000 1.039 901 I HN 0.355 nan 8.210 nan 0.000 0.409 902 S N -0.261 115.463 115.700 0.039 0.000 2.399 902 S HA -0.218 4.251 4.470 -0.002 0.000 0.231 902 S C 2.221 176.844 174.600 0.039 0.000 1.022 902 S CA 1.944 60.168 58.200 0.041 0.000 0.983 902 S CB -0.272 62.951 63.200 0.039 0.000 0.803 902 S HN 0.521 nan 8.310 nan 0.000 0.480 903 S N 0.046 115.756 115.700 0.017 0.000 2.371 903 S HA -0.052 4.417 4.470 -0.002 0.000 0.224 903 S C 1.955 176.553 174.600 -0.003 0.000 1.029 903 S CA 1.314 59.500 58.200 -0.023 0.000 0.978 903 S CB -0.736 62.435 63.200 -0.048 0.000 0.833 903 S HN 0.470 nan 8.310 nan 0.000 0.466 904 V N 2.855 122.778 119.914 0.015 0.000 2.255 904 V HA -0.018 4.101 4.120 -0.002 0.000 0.247 904 V C -0.878 175.241 176.094 0.041 0.000 1.051 904 V CA 2.111 64.422 62.300 0.017 0.000 1.018 904 V CB -1.546 30.282 31.823 0.008 0.000 0.641 904 V HN 0.387 nan 8.190 nan 0.000 0.445 905 P HA -0.222 nan 4.420 nan 0.000 0.216 905 P C 1.765 179.113 177.300 0.080 0.000 1.154 905 P CA 2.106 65.228 63.100 0.036 0.000 0.865 905 P CB -0.380 31.349 31.700 0.049 0.000 0.789 906 F N 1.227 121.150 119.950 -0.045 0.000 2.043 906 F HA -0.302 4.224 4.527 -0.002 0.000 0.297 906 F C 2.143 177.898 175.800 -0.075 0.000 1.118 906 F CA 1.821 59.794 58.000 -0.045 0.000 1.202 906 F CB -1.315 37.668 39.000 -0.028 0.000 0.965 906 F HN -0.085 nan 8.300 nan 0.000 0.482 907 A N 1.020 124.143 122.820 0.505 0.000 1.908 907 A HA -0.166 4.153 4.320 -0.002 0.000 0.218 907 A C 2.435 180.001 177.584 -0.030 0.000 1.181 907 A CA 1.982 54.175 52.037 0.260 0.000 0.627 907 A CB -1.330 17.735 19.000 0.108 0.000 0.818 907 A HN 0.566 nan 8.150 nan 0.000 0.445 908 L N -0.499 120.631 121.223 -0.155 0.000 2.012 908 L HA -0.220 4.119 4.340 -0.002 0.000 0.210 908 L C 2.551 179.186 176.870 -0.392 0.000 1.073 908 L CA 1.426 55.985 54.840 -0.468 0.000 0.748 908 L CB -0.940 40.823 42.059 -0.493 0.000 0.891 908 L HN 0.272 nan 8.230 nan 0.000 0.431 909 V N 0.631 120.428 119.914 -0.195 0.000 2.220 909 V HA -0.321 3.798 4.120 -0.002 0.000 0.250 909 V C 2.643 178.728 176.094 -0.016 0.000 1.056 909 V CA 2.340 64.585 62.300 -0.091 0.000 1.016 909 V CB -1.542 30.198 31.823 -0.138 0.000 0.639 909 V HN 0.606 nan 8.190 nan 0.000 0.446 910 G N -0.611 108.116 108.800 -0.123 0.000 2.450 910 G HA2 -0.134 3.825 3.960 -0.002 0.000 0.220 910 G HA3 -0.134 3.825 3.960 -0.002 0.000 0.220 910 G C 1.510 176.418 174.900 0.012 0.000 1.130 910 G CA 1.065 46.117 45.100 -0.080 0.000 0.760 910 G HN 0.648 nan 8.290 nan 0.000 0.557 911 G N 1.124 109.898 108.800 -0.043 0.000 2.424 911 G HA2 -0.146 3.813 3.960 -0.002 0.000 0.214 911 G HA3 -0.146 3.813 3.960 -0.002 0.000 0.214 911 G C 1.789 176.751 174.900 0.104 0.000 1.202 911 G CA 0.727 45.823 45.100 -0.007 0.000 0.793 911 G HN 0.483 nan 8.290 nan 0.000 0.534 912 I N -1.232 119.385 120.570 0.080 0.000 2.194 912 I HA -0.226 3.943 4.170 -0.002 0.000 0.246 912 I C 2.452 178.484 176.117 -0.142 0.000 1.093 912 I CA 1.721 63.100 61.300 0.130 0.000 1.355 912 I CB -0.196 37.831 38.000 0.045 0.000 1.046 912 I HN 0.326 nan 8.210 nan 0.000 0.413 913 W N 0.718 121.867 121.300 -0.252 0.000 2.341 913 W HA -0.238 4.421 4.660 -0.002 0.000 0.283 913 W C 2.394 178.907 176.519 -0.011 0.000 1.215 913 W CA 1.440 58.599 57.345 -0.310 0.000 1.211 913 W CB -0.409 28.893 29.460 -0.264 0.000 1.131 913 W HN 0.309 nan 8.180 nan 0.000 0.552 914 L N 0.294 121.679 121.223 0.270 0.000 2.083 914 L HA -0.183 4.155 4.340 -0.002 0.000 0.209 914 L C 2.007 179.115 176.870 0.396 0.000 1.083 914 L CA 1.837 56.858 54.840 0.302 0.000 0.752 914 L CB -0.998 41.158 42.059 0.161 0.000 0.899 914 L HN 0.026 nan 8.230 nan 0.000 0.433 915 L N -1.966 119.489 121.223 0.387 0.000 1.990 915 L HA -0.297 4.042 4.340 -0.002 0.000 0.213 915 L C 2.592 179.804 176.870 0.569 0.000 1.072 915 L CA 2.166 57.318 54.840 0.519 0.000 0.755 915 L CB -1.190 41.211 42.059 0.570 0.000 0.889 915 L HN 0.428 nan 8.230 nan 0.000 0.432 916 W N -0.467 120.841 121.300 0.015 0.000 2.321 916 W HA -0.292 4.367 4.660 -0.002 0.000 0.306 916 W C 2.592 179.163 176.519 0.088 0.000 1.217 916 W CA 0.368 57.693 57.345 -0.034 0.000 1.257 916 W CB -0.514 28.845 29.460 -0.169 0.000 1.145 916 W HN 0.416 nan 8.180 nan 0.000 0.509 917 W N 0.551 122.013 121.300 0.270 0.000 2.335 917 W HA -0.225 4.434 4.660 -0.002 0.000 0.311 917 W C 2.114 178.669 176.519 0.059 0.000 1.213 917 W CA 1.524 58.961 57.345 0.153 0.000 1.274 917 W CB -0.831 28.718 29.460 0.148 0.000 1.148 917 W HN -0.068 nan 8.180 nan 0.000 0.498 918 M N -1.101 118.729 119.600 0.384 0.000 2.486 918 M HA 0.128 4.607 4.480 -0.002 0.000 0.264 918 M C 1.741 177.892 176.300 -0.249 0.000 1.125 918 M CA 1.543 56.901 55.300 0.097 0.000 1.144 918 M CB -0.028 32.640 32.600 0.114 0.000 1.353 918 M HN 0.167 nan 8.290 nan 0.000 0.466 919 G N 0.037 108.698 108.800 -0.232 0.000 2.192 919 G HA2 -0.186 3.773 3.960 -0.002 0.000 0.193 919 G HA3 -0.186 3.773 3.960 -0.002 0.000 0.193 919 G C -0.085 174.499 174.900 -0.526 0.000 0.999 919 G CA -0.720 44.149 45.100 -0.386 0.000 0.659 919 G HN 0.263 nan 8.290 nan 0.000 0.503 920 F N 2.830 122.699 119.950 -0.135 0.000 2.563 920 F HA 0.489 5.015 4.527 -0.002 0.000 0.363 920 F C 1.342 177.005 175.800 -0.229 0.000 1.123 920 F CA -0.186 57.723 58.000 -0.153 0.000 1.307 920 F CB 0.408 39.402 39.000 -0.009 0.000 1.115 920 F HN 0.063 nan 8.300 nan 0.000 0.592 921 H N 2.841 121.983 119.070 0.120 0.000 2.508 921 H HA 0.421 4.976 4.556 -0.002 0.000 0.344 921 H C -0.142 175.132 175.328 -0.089 0.000 1.192 921 H CA -0.874 55.145 56.048 -0.049 0.000 1.290 921 H CB 1.502 31.201 29.762 -0.106 0.000 1.571 921 H HN 0.545 nan 8.280 nan 0.000 0.555 922 L N 0.266 121.438 121.223 -0.084 0.000 2.260 922 L HA 0.519 4.858 4.340 -0.002 0.000 0.289 922 L C 0.106 176.726 176.870 -0.418 0.000 1.057 922 L CA -0.518 54.175 54.840 -0.245 0.000 0.811 922 L CB 0.872 42.779 42.059 -0.254 0.000 1.184 922 L HN 0.453 nan 8.230 nan 0.000 0.429 923 S N 2.292 117.852 115.700 -0.234 0.000 2.806 923 S HA 0.440 4.908 4.470 -0.002 0.000 0.315 923 S C 0.945 175.464 174.600 -0.136 0.000 1.127 923 S CA -0.516 57.604 58.200 -0.133 0.000 0.918 923 S CB 1.523 64.719 63.200 -0.006 0.000 1.240 923 S HN 0.368 nan 8.310 nan 0.000 0.552 924 V N 1.277 121.122 119.914 -0.115 0.000 2.546 924 V HA -0.189 3.930 4.120 -0.002 0.000 0.254 924 V C 2.901 178.828 176.094 -0.279 0.000 1.076 924 V CA 2.457 64.584 62.300 -0.289 0.000 1.087 924 V CB -1.700 29.830 31.823 -0.489 0.000 0.674 924 V HN 0.933 nan 8.190 nan 0.000 0.470 925 A N 0.454 123.249 122.820 -0.043 0.000 1.933 925 A HA -0.234 4.085 4.320 -0.002 0.000 0.218 925 A C 2.535 180.118 177.584 -0.001 0.000 1.175 925 A CA 2.471 54.591 52.037 0.139 0.000 0.628 925 A CB -0.902 18.198 19.000 0.166 0.000 0.814 925 A HN 0.648 nan 8.150 nan 0.000 0.444 926 T N -2.738 111.733 114.554 -0.138 0.000 2.821 926 T HA 0.045 4.394 4.350 -0.002 0.000 0.267 926 T C 1.930 176.378 174.700 -0.420 0.000 1.046 926 T CA 1.661 63.582 62.100 -0.298 0.000 1.139 926 T CB -0.900 67.712 68.868 -0.426 0.000 0.871 926 T HN 0.401 nan 8.240 nan 0.000 0.454 927 G N 1.338 109.939 108.800 -0.331 0.000 2.440 927 G HA2 -0.194 3.765 3.960 -0.002 0.000 0.218 927 G HA3 -0.194 3.765 3.960 -0.002 0.000 0.218 927 G C 1.738 176.631 174.900 -0.012 0.000 1.154 927 G CA 1.500 46.478 45.100 -0.203 0.000 0.767 927 G HN 0.562 nan 8.290 nan 0.000 0.552 928 T N 0.990 115.559 114.554 0.025 0.000 2.777 928 T HA -0.008 4.340 4.350 -0.002 0.000 0.266 928 T C 2.488 177.284 174.700 0.161 0.000 1.040 928 T CA 1.348 63.574 62.100 0.211 0.000 1.141 928 T CB -0.650 68.480 68.868 0.437 0.000 0.868 928 T HN 0.358 nan 8.240 nan 0.000 0.444 929 G N 1.555 110.419 108.800 0.107 0.000 2.545 929 G HA2 -0.221 3.738 3.960 -0.002 0.000 0.217 929 G HA3 -0.221 3.738 3.960 -0.002 0.000 0.217 929 G C 1.240 176.285 174.900 0.240 0.000 1.218 929 G CA 0.716 45.889 45.100 0.123 0.000 0.787 929 G HN 0.338 nan 8.290 nan 0.000 0.571 930 F N 1.117 121.071 119.950 0.006 0.000 2.082 930 F HA -0.163 4.363 4.527 -0.002 0.000 0.298 930 F C 2.763 178.568 175.800 0.010 0.000 1.091 930 F CA 0.364 58.367 58.000 0.005 0.000 1.230 930 F CB -0.866 38.136 39.000 0.003 0.000 0.983 930 F HN 0.031 nan 8.300 nan 0.000 0.485 931 I N -0.023 120.682 120.570 0.224 0.000 2.208 931 I HA -0.300 3.869 4.170 -0.002 0.000 0.245 931 I C 2.653 178.802 176.117 0.053 0.000 1.097 931 I CA 1.537 62.917 61.300 0.135 0.000 1.363 931 I CB -1.943 36.171 38.000 0.190 0.000 1.051 931 I HN 0.072 nan 8.210 nan 0.000 0.413 932 A N 0.823 123.661 122.820 0.029 0.000 1.908 932 A HA -0.215 4.104 4.320 -0.002 0.000 0.218 932 A C 2.473 180.045 177.584 -0.020 0.000 1.181 932 A CA 1.675 53.692 52.037 -0.034 0.000 0.627 932 A CB -0.968 18.006 19.000 -0.043 0.000 0.818 932 A HN 0.469 nan 8.150 nan 0.000 0.445 933 L N -0.673 120.556 121.223 0.010 0.000 2.012 933 L HA -0.187 4.152 4.340 -0.002 0.000 0.210 933 L C 2.765 179.618 176.870 -0.027 0.000 1.073 933 L CA 1.808 56.636 54.840 -0.019 0.000 0.748 933 L CB -0.439 41.596 42.059 -0.039 0.000 0.891 933 L HN 0.386 nan 8.230 nan 0.000 0.431 934 A N -0.162 122.649 122.820 -0.015 0.000 1.933 934 A HA -0.130 4.189 4.320 -0.002 0.000 0.218 934 A C 2.275 179.854 177.584 -0.008 0.000 1.175 934 A CA 1.558 53.589 52.037 -0.010 0.000 0.628 934 A CB -1.384 17.621 19.000 0.008 0.000 0.814 934 A HN 0.586 nan 8.150 nan 0.000 0.444 935 G N -1.024 107.766 108.800 -0.016 0.000 2.402 935 G HA2 -0.095 3.864 3.960 -0.002 0.000 0.216 935 G HA3 -0.095 3.864 3.960 -0.002 0.000 0.216 935 G C 1.588 176.470 174.900 -0.031 0.000 1.162 935 G CA 1.110 46.192 45.100 -0.030 0.000 0.777 935 G HN 0.398 nan 8.290 nan 0.000 0.539 936 V N 1.000 120.892 119.914 -0.036 0.000 2.453 936 V HA 0.093 4.212 4.120 -0.002 0.000 0.247 936 V C 3.139 179.227 176.094 -0.010 0.000 1.048 936 V CA 2.210 64.488 62.300 -0.038 0.000 1.049 936 V CB -0.300 31.487 31.823 -0.060 0.000 0.672 936 V HN 0.416 nan 8.190 nan 0.000 0.457 937 A N -0.311 122.506 122.820 -0.005 0.000 1.929 937 A HA 0.020 4.339 4.320 -0.002 0.000 0.216 937 A C 2.394 180.005 177.584 0.045 0.000 1.176 937 A CA 1.766 53.816 52.037 0.022 0.000 0.628 937 A CB -0.858 18.142 19.000 -0.001 0.000 0.816 937 A HN 0.712 nan 8.150 nan 0.000 0.444 938 A N -0.235 122.599 122.820 0.023 0.000 1.940 938 A HA -0.204 4.115 4.320 -0.002 0.000 0.219 938 A C 2.055 179.660 177.584 0.036 0.000 1.176 938 A CA 1.872 53.923 52.037 0.024 0.000 0.631 938 A CB -0.466 18.542 19.000 0.014 0.000 0.814 938 A HN 0.553 nan 8.150 nan 0.000 0.446 939 E N -0.495 119.731 120.200 0.042 0.000 2.038 939 E HA -0.218 4.131 4.350 -0.002 0.000 0.195 939 E C 1.869 178.544 176.600 0.124 0.000 1.000 939 E CA 1.496 57.931 56.400 0.058 0.000 0.803 939 E CB -0.417 29.309 29.700 0.042 0.000 0.750 939 E HN 0.663 nan 8.360 nan 0.000 0.448 940 F N 0.605 120.526 119.950 -0.048 0.000 2.146 940 F HA -0.071 4.455 4.527 -0.002 0.000 0.298 940 F C 2.274 178.038 175.800 -0.060 0.000 1.096 940 F CA 1.088 59.058 58.000 -0.050 0.000 1.275 940 F CB -0.300 38.673 39.000 -0.045 0.000 1.008 940 F HN 0.172 nan 8.300 nan 0.000 0.480 941 G N 0.042 108.841 108.800 -0.002 0.000 2.574 941 G HA2 -0.322 3.636 3.960 -0.002 0.000 0.220 941 G HA3 -0.322 3.636 3.960 -0.002 0.000 0.220 941 G C 1.683 176.491 174.900 -0.155 0.000 1.173 941 G CA 1.385 46.425 45.100 -0.100 0.000 0.772 941 G HN 0.301 nan 8.290 nan 0.000 0.585 942 V N -0.074 119.803 119.914 -0.061 0.000 2.261 942 V HA -0.149 3.970 4.120 -0.002 0.000 0.246 942 V C 2.862 178.923 176.094 -0.055 0.000 1.047 942 V CA 1.696 64.007 62.300 0.018 0.000 1.015 942 V CB -0.321 31.560 31.823 0.096 0.000 0.642 942 V HN 0.259 nan 8.190 nan 0.000 0.446 943 V N -0.874 118.948 119.914 -0.154 0.000 2.626 943 V HA -0.238 3.881 4.120 -0.002 0.000 0.252 943 V C 2.204 177.882 176.094 -0.694 0.000 1.067 943 V CA 2.420 64.526 62.300 -0.323 0.000 1.081 943 V CB 0.024 31.727 31.823 -0.199 0.000 0.686 943 V HN 0.570 nan 8.190 nan 0.000 0.468 944 M N -0.730 118.467 119.600 -0.671 0.000 2.334 944 M HA 0.096 4.575 4.480 -0.002 0.000 0.266 944 M C 1.728 177.774 176.300 -0.424 0.000 1.082 944 M CA 1.454 56.367 55.300 -0.644 0.000 1.141 944 M CB -0.525 31.592 32.600 -0.806 0.000 1.380 944 M HN 0.309 nan 8.290 nan 0.000 0.440 945 L N -0.331 120.620 121.223 -0.453 0.000 2.083 945 L HA -0.193 4.146 4.340 -0.002 0.000 0.209 945 L C 2.124 178.648 176.870 -0.577 0.000 1.083 945 L CA 1.787 56.293 54.840 -0.557 0.000 0.752 945 L CB -0.734 40.900 42.059 -0.709 0.000 0.899 945 L HN 0.351 nan 8.230 nan 0.000 0.433 946 M N -0.353 118.967 119.600 -0.466 0.000 2.108 946 M HA -0.259 4.220 4.480 -0.002 0.000 0.261 946 M C 2.299 178.610 176.300 0.018 0.000 1.066 946 M CA 1.722 56.954 55.300 -0.114 0.000 1.107 946 M CB -1.217 31.444 32.600 0.102 0.000 1.356 946 M HN 0.310 nan 8.290 nan 0.000 0.406 947 Y N 0.149 120.438 120.300 -0.018 0.000 2.256 947 Y HA -0.266 4.283 4.550 -0.002 0.000 0.288 947 Y C 1.941 177.990 175.900 0.248 0.000 1.155 947 Y CA 0.881 59.033 58.100 0.087 0.000 1.203 947 Y CB -0.298 38.154 38.460 -0.014 0.000 0.980 947 Y HN 0.345 nan 8.280 nan 0.000 0.530 948 L N -2.300 119.019 121.223 0.159 0.000 2.616 948 L HA 0.262 4.601 4.340 -0.002 0.000 0.229 948 L C 1.562 178.415 176.870 -0.028 0.000 1.110 948 L CA 0.547 55.425 54.840 0.064 0.000 0.884 948 L CB -0.257 41.748 42.059 -0.090 0.000 1.115 948 L HN -0.145 nan 8.230 nan 0.000 0.481 949 R N 0.057 120.520 120.500 -0.061 0.000 2.156 949 R HA 0.032 4.371 4.340 -0.002 0.000 0.207 949 R C 2.175 178.542 176.300 0.112 0.000 1.040 949 R CA 1.073 57.146 56.100 -0.044 0.000 1.013 949 R CB -0.507 29.699 30.300 -0.157 0.000 0.931 949 R HN 0.711 nan 8.270 nan 0.000 0.465 950 H N 0.201 119.325 119.070 0.090 0.000 2.457 950 H HA 0.101 4.656 4.556 -0.002 0.000 0.294 950 H C 1.456 176.839 175.328 0.092 0.000 1.064 950 H CA 1.214 57.323 56.048 0.102 0.000 1.330 950 H CB 0.020 29.852 29.762 0.117 0.000 1.395 950 H HN 0.056 nan 8.280 nan 0.000 0.541 951 A N 2.302 124.839 122.820 -0.471 0.000 1.851 951 A HA -0.099 4.219 4.320 -0.002 0.000 0.216 951 A C 2.821 180.307 177.584 -0.163 0.000 1.195 951 A CA 1.653 53.434 52.037 -0.426 0.000 0.622 951 A CB -1.052 18.050 19.000 0.169 0.000 0.831 951 A HN 0.403 nan 8.150 nan 0.000 0.444 952 I N -0.622 119.947 120.570 -0.001 0.000 2.315 952 I HA -0.288 3.881 4.170 -0.002 0.000 0.251 952 I C 2.508 178.628 176.117 0.005 0.000 1.125 952 I CA 1.937 63.263 61.300 0.045 0.000 1.392 952 I CB -0.307 37.760 38.000 0.111 0.000 1.065 952 I HN 0.529 nan 8.210 nan 0.000 0.424 953 E N 0.487 120.676 120.200 -0.019 0.000 2.358 953 E HA -0.023 4.326 4.350 -0.002 0.000 0.195 953 E C 1.226 177.803 176.600 -0.038 0.000 1.010 953 E CA 0.504 56.902 56.400 -0.004 0.000 0.856 953 E CB 0.262 29.984 29.700 0.037 0.000 0.795 953 E HN 0.510 nan 8.360 nan 0.000 0.504 954 A N -0.524 122.217 122.820 -0.132 0.000 3.696 954 A HA 0.247 4.566 4.320 -0.002 0.000 0.156 954 A C 1.599 179.123 177.584 -0.100 0.000 1.732 954 A CA -0.119 51.835 52.037 -0.138 0.000 1.004 954 A CB -0.405 18.415 19.000 -0.300 0.000 1.799 954 A HN 0.004 nan 8.150 nan 0.000 0.665 955 V N 0.992 120.835 119.914 -0.117 0.000 2.252 955 V HA -0.162 3.956 4.120 -0.002 0.000 0.249 955 V C -0.546 175.528 176.094 -0.034 0.000 1.056 955 V CA 2.731 64.991 62.300 -0.066 0.000 1.022 955 V CB -2.210 29.570 31.823 -0.072 0.000 0.641 955 V HN 0.621 nan 8.190 nan 0.000 0.445 956 P HA -0.216 nan 4.420 nan 0.000 0.205 956 P C 2.058 179.386 177.300 0.046 0.000 1.164 956 P CA 2.353 65.477 63.100 0.040 0.000 0.938 956 P CB -0.309 31.449 31.700 0.097 0.000 0.777 957 S N -1.375 114.355 115.700 0.049 0.000 2.493 957 S HA -0.076 4.392 4.470 -0.002 0.000 0.243 957 S C 1.610 176.241 174.600 0.052 0.000 0.991 957 S CA 0.556 58.795 58.200 0.064 0.000 0.957 957 S CB -0.898 62.345 63.200 0.072 0.000 0.756 957 S HN -0.092 nan 8.310 nan 0.000 0.521 958 L N 1.291 122.534 121.223 0.033 0.000 2.554 958 L HA 0.214 4.553 4.340 -0.002 0.000 0.226 958 L C 0.722 177.611 176.870 0.031 0.000 1.137 958 L CA 0.928 55.785 54.840 0.028 0.000 0.863 958 L CB -1.072 40.996 42.059 0.014 0.000 0.985 958 L HN 0.301 nan 8.230 nan 0.000 0.451 959 N N -0.109 118.613 118.700 0.036 0.000 2.205 959 N HA -0.034 4.704 4.740 -0.002 0.000 0.201 959 N C 1.108 176.647 175.510 0.049 0.000 1.128 959 N CA 0.091 53.162 53.050 0.035 0.000 0.867 959 N CB 0.138 38.642 38.487 0.029 0.000 0.996 959 N HN 0.390 nan 8.380 nan 0.000 0.503 960 N N -0.729 118.011 118.700 0.067 0.000 2.227 960 N HA 0.147 4.886 4.740 -0.002 0.000 0.196 960 N C -1.794 173.779 175.510 0.105 0.000 1.142 960 N CA -0.317 52.788 53.050 0.093 0.000 0.887 960 N CB -0.614 37.941 38.487 0.113 0.000 1.022 960 N HN -0.044 nan 8.380 nan 0.000 0.500 961 P HA -0.032 nan 4.420 nan 0.000 0.244 961 P C 1.031 178.375 177.300 0.073 0.000 1.211 961 P CA 0.693 63.846 63.100 0.089 0.000 0.760 961 P CB 0.294 32.035 31.700 0.068 0.000 0.961 962 Q N 0.290 120.123 119.800 0.056 0.000 1.911 962 Q HA -0.045 4.293 4.340 -0.002 0.000 0.202 962 Q C 1.582 177.591 176.000 0.014 0.000 0.976 962 Q CA 2.335 58.154 55.803 0.027 0.000 0.845 962 Q CB -1.179 27.564 28.738 0.008 0.000 0.903 962 Q HN 0.002 nan 8.270 nan 0.000 0.437 963 T N 0.419 114.960 114.554 -0.022 0.000 3.014 963 T HA 0.311 4.660 4.350 -0.002 0.000 0.250 963 T C -0.357 174.238 174.700 -0.175 0.000 1.060 963 T CA 0.411 62.433 62.100 -0.130 0.000 1.040 963 T CB -0.283 68.462 68.868 -0.206 0.000 0.971 963 T HN 0.524 nan 8.240 nan 0.000 0.497 964 F N -0.533 119.416 119.950 -0.001 0.000 2.183 964 F HA -0.062 4.464 4.527 -0.002 0.000 0.318 964 F C 0.131 175.927 175.800 -0.006 0.000 1.037 964 F CA -0.445 57.553 58.000 -0.003 0.000 0.912 964 F CB -1.162 37.827 39.000 -0.018 0.000 4.134 964 F HN 0.120 nan 8.300 nan 0.000 0.138 965 S N 0.718 116.751 115.700 0.554 0.000 4.138 965 S HA -0.210 4.259 4.470 -0.002 0.000 0.574 965 S C -0.028 174.692 174.600 0.201 0.000 1.895 965 S CA 1.530 59.928 58.200 0.331 0.000 4.239 965 S CB -1.130 62.343 63.200 0.454 0.000 0.264 965 S HN 1.794 nan 8.310 nan 0.000 0.489 966 E N -0.418 119.881 120.200 0.164 0.000 8.933 966 E HA -0.160 4.189 4.350 -0.002 0.000 0.476 966 E C 0.558 177.202 176.600 0.075 0.000 1.294 966 E CA 0.770 57.221 56.400 0.085 0.000 2.268 966 E CB -0.944 28.791 29.700 0.059 0.000 1.014 966 E HN 0.808 nan 8.360 nan 0.000 0.263 967 Q N 1.192 121.022 119.800 0.051 0.000 2.443 967 Q HA -0.178 4.161 4.340 -0.002 0.000 0.213 967 Q C 1.375 177.408 176.000 0.055 0.000 0.982 967 Q CA 1.476 57.310 55.803 0.052 0.000 0.894 967 Q CB 0.017 28.773 28.738 0.030 0.000 0.947 967 Q HN 0.360 nan 8.270 nan 0.000 0.480 968 K N 1.036 121.469 120.400 0.055 0.000 2.152 968 K HA -0.139 4.180 4.320 -0.002 0.000 0.206 968 K C 2.142 178.790 176.600 0.080 0.000 1.048 968 K CA 1.206 57.529 56.287 0.059 0.000 0.933 968 K CB -0.313 32.221 32.500 0.056 0.000 0.721 968 K HN 0.434 nan 8.250 nan 0.000 0.447 969 L N -1.498 119.776 121.223 0.084 0.000 2.131 969 L HA 0.068 4.407 4.340 -0.002 0.000 0.206 969 L C 1.727 178.647 176.870 0.084 0.000 1.087 969 L CA 1.678 56.573 54.840 0.091 0.000 0.767 969 L CB -0.983 41.125 42.059 0.082 0.000 0.917 969 L HN -0.125 nan 8.230 nan 0.000 0.441 970 D N 0.401 120.846 120.400 0.074 0.000 2.144 970 D HA -0.210 4.428 4.640 -0.002 0.000 0.199 970 D C 2.199 178.559 176.300 0.100 0.000 0.984 970 D CA 1.458 55.499 54.000 0.068 0.000 0.834 970 D CB 0.021 40.868 40.800 0.077 0.000 0.955 970 D HN 0.777 nan 8.370 nan 0.000 0.465 971 E N 0.196 120.451 120.200 0.092 0.000 2.204 971 E HA -0.136 4.213 4.350 -0.002 0.000 0.194 971 E C 2.029 178.731 176.600 0.171 0.000 0.989 971 E CA 0.959 57.414 56.400 0.092 0.000 0.824 971 E CB -0.160 29.554 29.700 0.022 0.000 0.756 971 E HN 0.227 nan 8.360 nan 0.000 0.477 972 A N 1.752 124.679 122.820 0.177 0.000 1.877 972 A HA -0.124 4.195 4.320 -0.002 0.000 0.216 972 A C 2.211 179.700 177.584 -0.158 0.000 1.186 972 A CA 1.196 53.385 52.037 0.254 0.000 0.620 972 A CB -0.676 18.470 19.000 0.243 0.000 0.822 972 A HN 0.215 nan 8.150 nan 0.000 0.443 973 L N -1.841 119.362 121.223 -0.033 0.000 2.263 973 L HA -0.201 4.138 4.340 -0.002 0.000 0.216 973 L C 2.271 179.145 176.870 0.006 0.000 1.111 973 L CA 1.729 56.539 54.840 -0.049 0.000 0.773 973 L CB -0.851 41.216 42.059 0.015 0.000 0.906 973 L HN 0.609 nan 8.230 nan 0.000 0.439 974 Y N -0.466 119.813 120.300 -0.035 0.000 2.206 974 Y HA -0.277 4.271 4.550 -0.002 0.000 0.292 974 Y C 2.905 178.826 175.900 0.035 0.000 1.123 974 Y CA 1.711 59.857 58.100 0.076 0.000 1.142 974 Y CB -0.083 38.390 38.460 0.022 0.000 1.006 974 Y HN 0.480 nan 8.280 nan 0.000 0.518 975 H N -2.089 117.177 119.070 0.326 0.000 2.353 975 H HA -0.025 4.530 4.556 -0.001 0.000 0.300 975 H C 2.178 177.578 175.328 0.120 0.000 1.090 975 H CA 1.692 57.864 56.048 0.206 0.000 1.327 975 H CB -1.141 28.713 29.762 0.153 0.000 1.383 975 H HN 0.264 nan 8.280 nan 0.000 0.508 976 G N -0.681 107.823 108.800 -0.493 0.000 2.623 976 G HA2 0.117 4.076 3.960 -0.002 0.000 0.214 976 G HA3 0.117 4.076 3.960 -0.002 0.000 0.214 976 G C 1.509 176.360 174.900 -0.082 0.000 1.138 976 G CA 0.376 45.392 45.100 -0.140 0.000 0.794 976 G HN 0.724 nan 8.290 nan 0.000 0.535 977 A N -0.497 122.266 122.820 -0.095 0.000 2.382 977 A HA 0.501 4.820 4.320 -0.002 0.000 0.228 977 A C 1.986 179.378 177.584 -0.320 0.000 1.217 977 A CA 0.646 52.610 52.037 -0.120 0.000 0.923 977 A CB 0.118 19.160 19.000 0.071 0.000 0.979 977 A HN 0.245 nan 8.150 nan 0.000 0.515 978 V N 0.617 120.445 119.914 -0.142 0.000 2.453 978 V HA -0.136 3.983 4.120 -0.002 0.000 0.247 978 V C 1.990 177.992 176.094 -0.153 0.000 1.048 978 V CA 2.147 64.394 62.300 -0.089 0.000 1.049 978 V CB -0.438 31.480 31.823 0.159 0.000 0.672 978 V HN 0.613 nan 8.190 nan 0.000 0.457 979 L N 0.733 121.844 121.223 -0.186 0.000 2.622 979 L HA 0.149 4.488 4.340 -0.002 0.000 0.233 979 L C 1.968 178.712 176.870 -0.211 0.000 1.156 979 L CA 1.598 56.296 54.840 -0.237 0.000 0.866 979 L CB -1.263 40.543 42.059 -0.421 0.000 0.980 979 L HN 0.480 nan 8.230 nan 0.000 0.448 980 R N -0.313 120.085 120.500 -0.170 0.000 2.335 980 R HA 0.220 4.558 4.340 -0.002 0.000 0.210 980 R C 1.341 177.652 176.300 0.017 0.000 0.892 980 R CA 0.802 56.927 56.100 0.042 0.000 1.048 980 R CB -1.399 28.992 30.300 0.151 0.000 1.067 980 R HN 0.194 nan 8.270 nan 0.000 0.524 981 V N -1.398 118.417 119.914 -0.165 0.000 3.041 981 V HA 0.167 4.286 4.120 -0.002 0.000 0.260 981 V C 2.012 178.097 176.094 -0.016 0.000 1.105 981 V CA 0.979 63.186 62.300 -0.155 0.000 1.125 981 V CB -0.594 31.033 31.823 -0.328 0.000 0.730 981 V HN 0.124 nan 8.190 nan 0.000 0.479 982 R N 0.818 121.315 120.500 -0.006 0.000 2.075 982 R HA 0.103 4.441 4.340 -0.002 0.000 0.220 982 R C -0.004 176.424 176.300 0.215 0.000 1.118 982 R CA 1.334 57.478 56.100 0.074 0.000 0.986 982 R CB -1.118 29.175 30.300 -0.011 0.000 0.884 982 R HN 0.502 nan 8.270 nan 0.000 0.439 983 P HA -0.109 nan 4.420 nan 0.000 0.213 983 P C 0.770 178.034 177.300 -0.059 0.000 1.169 983 P CA 1.278 64.423 63.100 0.075 0.000 0.885 983 P CB 0.133 31.924 31.700 0.151 0.000 0.779 984 K N 0.446 120.770 120.400 -0.126 0.000 2.057 984 K HA -0.023 4.296 4.320 -0.002 0.000 0.207 984 K C 2.192 178.640 176.600 -0.254 0.000 1.049 984 K CA 1.646 57.688 56.287 -0.409 0.000 0.931 984 K CB -1.410 30.736 32.500 -0.591 0.000 0.714 984 K HN -0.018 nan 8.250 nan 0.000 0.440 985 A N 0.532 123.294 122.820 -0.098 0.000 1.908 985 A HA -0.202 4.117 4.320 -0.002 0.000 0.218 985 A C 2.276 179.622 177.584 -0.397 0.000 1.181 985 A CA 1.985 53.964 52.037 -0.096 0.000 0.627 985 A CB -0.570 18.544 19.000 0.191 0.000 0.818 985 A HN 0.474 nan 8.150 nan 0.000 0.445 986 M N -1.222 118.081 119.600 -0.496 0.000 2.117 986 M HA -0.150 4.329 4.480 -0.002 0.000 0.262 986 M C 2.237 178.282 176.300 -0.425 0.000 1.065 986 M CA 2.199 57.049 55.300 -0.749 0.000 1.114 986 M CB -0.263 32.127 32.600 -0.351 0.000 1.361 986 M HN 0.416 nan 8.290 nan 0.000 0.408 987 T N -0.248 114.124 114.554 -0.303 0.000 2.821 987 T HA -0.091 4.258 4.350 -0.002 0.000 0.267 987 T C 1.546 176.100 174.700 -0.243 0.000 1.046 987 T CA 1.409 63.356 62.100 -0.255 0.000 1.139 987 T CB -0.144 68.562 68.868 -0.270 0.000 0.871 987 T HN 0.276 nan 8.240 nan 0.000 0.454 988 V N 1.417 121.177 119.914 -0.257 0.000 2.427 988 V HA -0.063 4.056 4.120 -0.002 0.000 0.248 988 V C 2.816 178.793 176.094 -0.195 0.000 1.051 988 V CA 1.544 63.721 62.300 -0.205 0.000 1.048 988 V CB -1.053 30.663 31.823 -0.178 0.000 0.666 988 V HN 0.530 nan 8.190 nan 0.000 0.456 989 A N 0.740 123.406 122.820 -0.257 0.000 1.877 989 A HA -0.163 4.156 4.320 -0.002 0.000 0.216 989 A C 2.383 179.857 177.584 -0.183 0.000 1.186 989 A CA 2.319 54.216 52.037 -0.234 0.000 0.620 989 A CB -0.747 18.043 19.000 -0.350 0.000 0.822 989 A HN 0.525 nan 8.150 nan 0.000 0.443 990 V N -1.913 117.884 119.914 -0.195 0.000 2.358 990 V HA -0.199 3.920 4.120 -0.002 0.000 0.246 990 V C 2.241 178.263 176.094 -0.120 0.000 1.047 990 V CA 1.785 63.997 62.300 -0.147 0.000 1.035 990 V CB -1.052 30.683 31.823 -0.146 0.000 0.658 990 V HN 0.311 nan 8.190 nan 0.000 0.452 991 I N 0.428 120.920 120.570 -0.129 0.000 2.179 991 I HA -0.124 4.044 4.170 -0.002 0.000 0.242 991 I C 2.319 178.379 176.117 -0.095 0.000 1.088 991 I CA 1.296 62.531 61.300 -0.108 0.000 1.357 991 I CB -0.627 37.303 38.000 -0.116 0.000 1.051 991 I HN 0.205 nan 8.210 nan 0.000 0.409 992 I N 0.225 120.733 120.570 -0.104 0.000 2.676 992 I HA -0.081 4.088 4.170 -0.002 0.000 0.259 992 I C 2.451 178.518 176.117 -0.084 0.000 1.194 992 I CA 1.109 62.351 61.300 -0.096 0.000 1.473 992 I CB -1.864 36.073 38.000 -0.104 0.000 1.096 992 I HN 0.139 nan 8.210 nan 0.000 0.443 993 A N 0.733 123.503 122.820 -0.083 0.000 2.072 993 A HA 0.186 4.505 4.320 -0.002 0.000 0.216 993 A C 2.317 179.872 177.584 -0.048 0.000 1.156 993 A CA 1.200 53.198 52.037 -0.065 0.000 0.701 993 A CB -0.797 18.160 19.000 -0.072 0.000 0.816 993 A HN 0.408 nan 8.150 nan 0.000 0.458 994 G N -1.203 107.565 108.800 -0.052 0.000 2.887 994 G HA2 0.272 4.231 3.960 -0.002 0.000 0.211 994 G HA3 0.272 4.231 3.960 -0.002 0.000 0.211 994 G C 1.131 176.013 174.900 -0.031 0.000 1.152 994 G CA 0.282 45.360 45.100 -0.037 0.000 0.769 994 G HN 0.375 nan 8.290 nan 0.000 0.541 995 L N 0.233 121.432 121.223 -0.040 0.000 2.664 995 L HA 0.373 4.711 4.340 -0.002 0.000 0.233 995 L C 2.064 178.922 176.870 -0.019 0.000 1.113 995 L CA -0.097 54.721 54.840 -0.037 0.000 0.896 995 L CB 0.343 42.372 42.059 -0.051 0.000 1.163 995 L HN 0.093 nan 8.230 nan 0.000 0.497 996 L N 1.400 122.614 121.223 -0.015 0.000 2.249 996 L HA 0.101 4.440 4.340 -0.002 0.000 0.207 996 L C -0.464 176.445 176.870 0.064 0.000 1.090 996 L CA 1.241 56.085 54.840 0.008 0.000 0.802 996 L CB -1.213 40.825 42.059 -0.034 0.000 0.947 996 L HN 0.129 nan 8.230 nan 0.000 0.453 997 P HA -0.170 nan 4.420 nan 0.000 0.214 997 P C 1.828 179.181 177.300 0.090 0.000 1.162 997 P CA 1.482 64.626 63.100 0.074 0.000 0.874 997 P CB -0.316 31.410 31.700 0.044 0.000 0.784 998 I N -3.175 117.430 120.570 0.058 0.000 2.700 998 I HA -0.121 4.048 4.170 -0.002 0.000 0.261 998 I C 1.730 177.900 176.117 0.088 0.000 1.219 998 I CA 1.603 62.933 61.300 0.050 0.000 1.463 998 I CB -0.940 37.068 38.000 0.013 0.000 1.092 998 I HN -0.199 nan 8.210 nan 0.000 0.452 999 L N -0.725 120.582 121.223 0.139 0.000 2.477 999 L HA 0.140 4.479 4.340 -0.002 0.000 0.220 999 L C 1.201 178.331 176.870 0.434 0.000 1.106 999 L CA 0.886 55.872 54.840 0.243 0.000 0.851 999 L CB -0.872 41.308 42.059 0.202 0.000 0.994 999 L HN 0.627 nan 8.230 nan 0.000 0.462 1000 W N 0.227 121.571 121.300 0.073 0.000 2.300 1000 W HA 0.491 5.150 4.660 -0.002 0.000 0.366 1000 W C -0.181 176.367 176.519 0.049 0.000 0.913 1000 W CA -0.005 57.378 57.345 0.064 0.000 2.200 1000 W CB 0.987 30.473 29.460 0.043 0.000 1.182 1000 W HN 0.061 nan 8.180 nan 0.000 0.586 1001 G N 0.618 109.432 108.800 0.024 0.000 2.655 1001 G HA2 0.390 4.349 3.960 -0.002 0.000 0.296 1001 G HA3 0.390 4.349 3.960 -0.002 0.000 0.296 1001 G C -1.617 173.275 174.900 -0.013 0.000 1.485 1001 G CA -0.312 44.761 45.100 -0.045 0.000 0.869 1001 G HN -0.192 nan 8.290 nan 0.000 0.540 1002 T N -0.388 114.146 114.554 -0.033 0.000 3.842 1002 T HA 0.518 4.867 4.350 -0.002 0.000 0.336 1002 T C 1.189 175.880 174.700 -0.014 0.000 0.900 1002 T CA 0.797 62.891 62.100 -0.010 0.000 1.022 1002 T CB 0.607 69.474 68.868 -0.001 0.000 1.068 1002 T HN 1.325 nan 8.240 nan 0.000 0.464 1003 G N 2.743 111.541 108.800 -0.004 0.000 2.408 1003 G HA2 0.496 4.455 3.960 -0.002 0.000 0.215 1003 G HA3 0.496 4.455 3.960 -0.002 0.000 0.215 1003 G C 0.585 175.486 174.900 0.002 0.000 1.156 1003 G CA 0.347 45.445 45.100 -0.003 0.000 0.793 1003 G HN 1.484 nan 8.290 nan 0.000 0.535 1004 A N -1.693 121.131 122.820 0.007 0.000 2.508 1004 A HA 0.598 4.916 4.320 -0.002 0.000 0.297 1004 A C 0.372 177.966 177.584 0.017 0.000 1.036 1004 A CA 0.408 52.452 52.037 0.012 0.000 0.957 1004 A CB 0.018 19.024 19.000 0.011 0.000 1.428 1004 A HN 1.933 nan 8.150 nan 0.000 0.393 1005 G N 1.157 109.970 108.800 0.022 0.000 2.452 1005 G HA2 0.047 4.006 3.960 -0.002 0.000 0.275 1005 G HA3 0.047 4.006 3.960 -0.002 0.000 0.275 1005 G C 0.382 175.296 174.900 0.023 0.000 1.131 1005 G CA 0.505 45.620 45.100 0.026 0.000 1.031 1005 G HN 1.533 nan 8.290 nan 0.000 0.511 1006 S N -1.053 114.663 115.700 0.027 0.000 2.733 1006 S HA 0.177 4.646 4.470 -0.002 0.000 0.247 1006 S C 1.577 176.199 174.600 0.036 0.000 1.043 1006 S CA 0.464 58.679 58.200 0.024 0.000 1.066 1006 S CB 0.367 63.582 63.200 0.025 0.000 1.045 1006 S HN 0.460 nan 8.310 nan 0.000 0.586 1007 E N 1.380 121.611 120.200 0.052 0.000 2.265 1007 E HA -0.069 4.280 4.350 -0.002 0.000 0.196 1007 E C 1.862 178.500 176.600 0.062 0.000 0.996 1007 E CA 0.748 57.197 56.400 0.081 0.000 0.832 1007 E CB -0.166 29.583 29.700 0.082 0.000 0.756 1007 E HN 0.359 nan 8.360 nan 0.000 0.491 1008 V N -0.256 119.682 119.914 0.040 0.000 2.500 1008 V HA -0.120 3.999 4.120 -0.002 0.000 0.243 1008 V C 1.713 177.804 176.094 -0.005 0.000 1.039 1008 V CA 1.084 63.406 62.300 0.037 0.000 1.053 1008 V CB -0.093 31.755 31.823 0.043 0.000 0.695 1008 V HN 0.239 nan 8.190 nan 0.000 0.463 1009 M N -0.051 119.535 119.600 -0.024 0.000 2.108 1009 M HA -0.168 4.310 4.480 -0.002 0.000 0.261 1009 M C 2.394 178.616 176.300 -0.129 0.000 1.066 1009 M CA 2.248 57.517 55.300 -0.051 0.000 1.107 1009 M CB -0.592 31.987 32.600 -0.035 0.000 1.356 1009 M HN 0.402 nan 8.290 nan 0.000 0.406 1010 S N 0.397 115.972 115.700 -0.208 0.000 2.369 1010 S HA -0.170 4.299 4.470 -0.002 0.000 0.225 1010 S C 1.812 176.057 174.600 -0.592 0.000 1.043 1010 S CA 1.342 59.216 58.200 -0.544 0.000 1.074 1010 S CB -0.464 62.243 63.200 -0.821 0.000 0.962 1010 S HN 0.416 nan 8.310 nan 0.000 0.433 1011 R N 1.288 121.561 120.500 -0.378 0.000 2.119 1011 R HA -0.152 4.187 4.340 -0.002 0.000 0.246 1011 R C 2.412 178.626 176.300 -0.145 0.000 1.146 1011 R CA 1.741 57.716 56.100 -0.207 0.000 0.962 1011 R CB -1.190 29.080 30.300 -0.050 0.000 0.863 1011 R HN 0.699 nan 8.270 nan 0.000 0.442 1012 I N -2.034 118.481 120.570 -0.091 0.000 3.030 1012 I HA 0.114 4.283 4.170 -0.002 0.000 0.270 1012 I C 2.166 178.258 176.117 -0.042 0.000 1.211 1012 I CA 1.075 62.359 61.300 -0.027 0.000 1.479 1012 I CB -0.135 37.886 38.000 0.036 0.000 1.105 1012 I HN -0.040 nan 8.210 nan 0.000 0.447 1013 A N 1.872 124.627 122.820 -0.108 0.000 1.840 1013 A HA 0.099 4.417 4.320 -0.002 0.000 0.214 1013 A C 2.627 180.168 177.584 -0.072 0.000 1.198 1013 A CA 1.619 53.599 52.037 -0.095 0.000 0.608 1013 A CB -1.210 17.714 19.000 -0.127 0.000 0.839 1013 A HN 0.550 nan 8.150 nan 0.000 0.443 1014 A N 0.583 123.325 122.820 -0.129 0.000 1.894 1014 A HA -0.195 4.124 4.320 -0.002 0.000 0.220 1014 A C 0.237 177.860 177.584 0.065 0.000 1.237 1014 A CA 2.422 54.443 52.037 -0.026 0.000 0.660 1014 A CB -2.113 16.894 19.000 0.012 0.000 0.835 1014 A HN 0.425 nan 8.150 nan 0.000 0.461 1015 P HA -0.202 nan 4.420 nan 0.000 0.218 1015 P C 1.501 178.864 177.300 0.106 0.000 1.150 1015 P CA 1.825 65.087 63.100 0.270 0.000 0.841 1015 P CB -0.138 31.882 31.700 0.533 0.000 0.784 1016 M N -1.999 117.633 119.600 0.052 0.000 2.098 1016 M HA -0.062 4.417 4.480 -0.002 0.000 0.262 1016 M C 2.069 178.354 176.300 -0.025 0.000 1.072 1016 M CA 1.621 56.921 55.300 -0.000 0.000 1.133 1016 M CB -0.918 31.670 32.600 -0.021 0.000 1.344 1016 M HN -0.172 nan 8.290 nan 0.000 0.414 1017 I N -0.720 119.831 120.570 -0.031 0.000 2.052 1017 I HA -0.293 3.876 4.170 -0.002 0.000 0.235 1017 I C 2.372 178.459 176.117 -0.050 0.000 1.046 1017 I CA 1.787 63.053 61.300 -0.057 0.000 1.308 1017 I CB -1.202 36.752 38.000 -0.075 0.000 1.031 1017 I HN 0.437 nan 8.210 nan 0.000 0.395 1018 G N 0.110 108.898 108.800 -0.020 0.000 2.469 1018 G HA2 -0.227 3.731 3.960 -0.002 0.000 0.220 1018 G HA3 -0.227 3.731 3.960 -0.002 0.000 0.220 1018 G C 1.603 176.498 174.900 -0.008 0.000 1.136 1018 G CA 0.942 46.043 45.100 0.002 0.000 0.759 1018 G HN 0.559 nan 8.290 nan 0.000 0.562 1019 G N -0.335 108.456 108.800 -0.015 0.000 2.572 1019 G HA2 0.060 4.018 3.960 -0.002 0.000 0.216 1019 G HA3 0.060 4.018 3.960 -0.002 0.000 0.216 1019 G C 1.523 176.410 174.900 -0.021 0.000 1.133 1019 G CA 0.770 45.850 45.100 -0.033 0.000 0.791 1019 G HN 0.399 nan 8.290 nan 0.000 0.538 1020 M N -0.153 119.425 119.600 -0.037 0.000 2.428 1020 M HA 0.440 4.919 4.480 -0.002 0.000 0.239 1020 M C 1.520 177.785 176.300 -0.058 0.000 1.121 1020 M CA 0.130 55.396 55.300 -0.056 0.000 1.019 1020 M CB 0.302 32.857 32.600 -0.076 0.000 1.485 1020 M HN 0.106 nan 8.290 nan 0.000 0.484 1021 I N -1.130 119.414 120.570 -0.044 0.000 3.603 1021 I HA 0.045 4.214 4.170 -0.002 0.000 0.297 1021 I C 1.531 177.640 176.117 -0.013 0.000 1.269 1021 I CA 1.113 62.387 61.300 -0.044 0.000 1.361 1021 I CB -0.026 37.944 38.000 -0.050 0.000 1.063 1021 I HN 0.163 nan 8.210 nan 0.000 0.448 1022 T N -0.921 113.650 114.554 0.028 0.000 3.056 1022 T HA 0.276 4.625 4.350 -0.002 0.000 0.243 1022 T C 1.844 176.722 174.700 0.296 0.000 0.995 1022 T CA 0.693 62.886 62.100 0.155 0.000 1.091 1022 T CB 0.161 69.058 68.868 0.049 0.000 0.990 1022 T HN 0.248 nan 8.240 nan 0.000 0.464 1023 A N 2.436 125.323 122.820 0.111 0.000 1.902 1023 A HA 0.043 4.362 4.320 -0.002 0.000 0.217 1023 A C -0.247 177.307 177.584 -0.051 0.000 1.181 1023 A CA 1.345 53.393 52.037 0.019 0.000 0.623 1023 A CB -1.456 17.536 19.000 -0.013 0.000 0.818 1023 A HN 0.382 nan 8.150 nan 0.000 0.443 1024 P HA -0.097 nan 4.420 nan 0.000 0.214 1024 P C 1.866 179.107 177.300 -0.099 0.000 1.162 1024 P CA 0.725 63.778 63.100 -0.079 0.000 0.871 1024 P CB -0.204 31.428 31.700 -0.113 0.000 0.783 1025 L N -0.254 120.877 121.223 -0.154 0.000 2.010 1025 L HA -0.231 4.108 4.340 -0.002 0.000 0.219 1025 L C 2.355 178.951 176.870 -0.456 0.000 1.077 1025 L CA 1.766 56.393 54.840 -0.355 0.000 0.773 1025 L CB -1.020 40.911 42.059 -0.214 0.000 0.892 1025 L HN -0.112 nan 8.230 nan 0.000 0.436 1026 L N -0.835 120.159 121.223 -0.382 0.000 1.997 1026 L HA -0.280 4.059 4.340 -0.002 0.000 0.216 1026 L C 2.462 179.153 176.870 -0.299 0.000 1.074 1026 L CA 2.355 56.799 54.840 -0.660 0.000 0.763 1026 L CB -0.451 41.013 42.059 -0.992 0.000 0.890 1026 L HN 0.308 nan 8.230 nan 0.000 0.434 1027 S N 0.299 115.925 115.700 -0.124 0.000 2.356 1027 S HA -0.140 4.329 4.470 -0.002 0.000 0.223 1027 S C 1.870 176.535 174.600 0.109 0.000 1.032 1027 S CA 1.765 59.992 58.200 0.045 0.000 1.005 1027 S CB -0.610 62.785 63.200 0.324 0.000 0.867 1027 S HN 0.511 nan 8.310 nan 0.000 0.449 1028 L N -0.405 120.895 121.223 0.128 0.000 2.129 1028 L HA -0.120 4.219 4.340 -0.002 0.000 0.212 1028 L C 1.938 179.185 176.870 0.629 0.000 1.087 1028 L CA 1.563 56.641 54.840 0.396 0.000 0.757 1028 L CB -0.638 41.627 42.059 0.343 0.000 0.896 1028 L HN 0.341 nan 8.230 nan 0.000 0.434 1029 F N -0.725 119.232 119.950 0.011 0.000 2.592 1029 F HA 0.178 4.704 4.527 -0.002 0.000 0.280 1029 F C 1.970 177.749 175.800 -0.036 0.000 1.083 1029 F CA -0.164 57.817 58.000 -0.032 0.000 1.365 1029 F CB 0.462 39.443 39.000 -0.032 0.000 1.100 1029 F HN -0.060 nan 8.300 nan 0.000 0.633 1030 I N -0.790 119.858 120.570 0.130 0.000 3.904 1030 I HA 0.199 4.368 4.170 -0.002 0.000 0.333 1030 I C 1.004 177.132 176.117 0.019 0.000 1.361 1030 I CA 0.141 61.468 61.300 0.045 0.000 1.116 1030 I CB -0.374 37.606 38.000 -0.034 0.000 1.028 1030 I HN 0.030 nan 8.210 nan 0.000 0.398 1031 I N 1.400 121.982 120.570 0.019 0.000 2.277 1031 I HA 0.073 4.242 4.170 -0.002 0.000 0.243 1031 I C -0.244 175.897 176.117 0.040 0.000 1.094 1031 I CA 0.595 61.887 61.300 -0.013 0.000 1.393 1031 I CB -2.161 35.798 38.000 -0.068 0.000 1.078 1031 I HN 0.174 nan 8.210 nan 0.000 0.417 1032 P HA -0.101 nan 4.420 nan 0.000 0.212 1032 P C 1.729 179.083 177.300 0.089 0.000 1.179 1032 P CA 2.067 65.215 63.100 0.080 0.000 0.898 1032 P CB -0.051 31.673 31.700 0.040 0.000 0.775 1033 A N 0.653 123.503 122.820 0.051 0.000 1.958 1033 A HA -0.211 4.108 4.320 -0.002 0.000 0.221 1033 A C 2.477 180.096 177.584 0.059 0.000 1.178 1033 A CA 2.898 54.959 52.037 0.040 0.000 0.642 1033 A CB -1.680 17.343 19.000 0.038 0.000 0.816 1033 A HN 0.298 nan 8.150 nan 0.000 0.453 1034 A N -2.796 120.071 122.820 0.078 0.000 2.021 1034 A HA 0.088 4.406 4.320 -0.002 0.000 0.216 1034 A C 2.054 179.715 177.584 0.128 0.000 1.163 1034 A CA 1.212 53.300 52.037 0.085 0.000 0.676 1034 A CB -0.520 18.524 19.000 0.073 0.000 0.818 1034 A HN 0.677 nan 8.150 nan 0.000 0.453 1035 Y N 1.139 121.444 120.300 0.009 0.000 2.286 1035 Y HA -0.122 4.427 4.550 -0.002 0.000 0.293 1035 Y C 2.369 178.301 175.900 0.053 0.000 1.124 1035 Y CA 1.708 59.820 58.100 0.020 0.000 1.178 1035 Y CB 0.098 38.557 38.460 -0.002 0.000 1.010 1035 Y HN 0.409 nan 8.280 nan 0.000 0.536 1036 K N -0.312 120.120 120.400 0.053 0.000 2.296 1036 K HA -0.085 4.234 4.320 -0.002 0.000 0.200 1036 K C 1.793 178.358 176.600 -0.058 0.000 1.048 1036 K CA 1.018 57.291 56.287 -0.024 0.000 0.966 1036 K CB -0.232 32.272 32.500 0.007 0.000 0.754 1036 K HN 0.321 nan 8.250 nan 0.000 0.466 1037 L N 0.589 121.799 121.223 -0.022 0.000 2.270 1037 L HA 0.117 4.456 4.340 -0.002 0.000 0.210 1037 L C 1.831 178.689 176.870 -0.021 0.000 1.104 1037 L CA 1.085 55.910 54.840 -0.026 0.000 0.804 1037 L CB -0.237 41.825 42.059 0.005 0.000 0.937 1037 L HN 0.338 nan 8.230 nan 0.000 0.450 1038 M N -0.904 118.688 119.600 -0.012 0.000 2.562 1038 M HA -0.016 4.463 4.480 -0.002 0.000 0.257 1038 M C 0.328 176.682 176.300 0.091 0.000 1.099 1038 M CA 0.655 55.963 55.300 0.013 0.000 1.099 1038 M CB -0.222 32.379 32.600 0.001 0.000 1.427 1038 M HN 0.315 nan 8.290 nan 0.000 0.489 1039 W N 0.000 121.167 121.300 -0.221 0.000 2.388 1039 W HA 0.000 4.659 4.660 -0.002 0.000 0.303 1039 W CA 0.000 57.217 57.345 -0.213 0.000 1.226 1039 W CB 0.000 29.287 29.460 -0.288 0.000 1.126 1039 W HN 0.000 nan 8.180 nan 0.000 0.535