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 2o5i_1_M DATA FIRST_RESID 1 DATA SEQUENCE MEIKRFGRIR EVIPLPPLTE IQVESYRRAL QADVPPEKRE NVGIQAAFRE DATA SEQUENCE TFPIEEEDKG KGGLVLDFLE YRLGEPPFPQ DECREKDLTY QAPLYARLQL DATA SEQUENCE IHKDTGLIKE DEVFLGHIPL MTEDGSFIIN GADRVIVSQI HRSPGVYFTP DATA SEQUENCE DPARPGRYIA SIIPLPKRGP WIDLEVEPNG VVSMKVNKRK FPLVLLLRVL DATA SEQUENCE GYDQETLARE LGAYGELVQG LMDESVFAMR PEEALIRLFT LLRPGDPPKR DATA SEQUENCE DKAVAYVYGL IADPRRYDLG EAGRYKAEEK LGIRLSGRTL ARFEDGEFKD DATA SEQUENCE EVFLPTLRYL FALTAGVPGH EVDDIDHLGN RRIRTVGELM TDQFRVGLAR DATA SEQUENCE LARGVRERML MGSEDSLTPA KLVNSRPLEA AIREFFSRSQ LSQFKDETNP DATA SEQUENCE LSSLRHKRRI SALGPGGLTR ERAGFDVRDV HRTHYGRICP VETPEGANIG DATA SEQUENCE LITSLAAYAR VDELGFIRTP YRRVVGGVVT DEVVYMTATE EDRYTIAQAN DATA SEQUENCE TPLEGNRIAA ERVVARRKGE PVIVSPEEVE FMDVSPKQVF SVNTNLIPFL DATA SEQUENCE EHDDANRALM GSNMQTQAVP LIRAQAPVVM TGLEERVVRD SLAALYAEED DATA SEQUENCE GEVAKVDGNR IVVRYEDGRL VEYPLRRFYR SNQGTALDQR PRVVVGQRVR DATA SEQUENCE KGDLLADGPA SENGFLALGQ NVLVAIMPFD GYNFEDAIVI SEELLKRDFY DATA SEQUENCE TSIHIERYEI EARDTKLGPE RITRDIPHLS EAALRDLDEE GVVRIGAEVK DATA SEQUENCE PGDILVGRTS FKGESEPTPE ERLLRSIFGE KARDVKDTSL RVPPGEGGIV DATA SEQUENCE VRTVRLRRGD PGVELKPGVR EVVRVYVAQK RKLQVGDKLA NRHGNKGVVA DATA SEQUENCE KILPVEDMPH LPDGTPVDVI LNPLGVPSRM NLGQILETHL GLAGYFLGQR DATA SEQUENCE YISPIFDGAK EPEIKELLAQ AFEVYFGKRK GEGFGVDKRE VEVLRRAEKL DATA SEQUENCE GLVTPGKTPE EQLKELFLQG KVVLYDGRTG EPIEGPIVVG QMFIMKLYHM DATA SEQUENCE VEDKMHARST GPYSLITQQP LGGKAQFGGQ RFGEMEVWAL EAYGAAHTLQ DATA SEQUENCE EMLTLKSDDI EGRNAAYEAI IKGEDVPEPS VPESFRVLVK ELQALALDVQ DATA SEQUENCE TLDEKDNPVD IFEGLASKR 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.292 176.300 -0.013 0.000 1.140 1 M CA 0.000 55.295 55.300 -0.008 0.000 0.988 1 M CB 0.000 32.606 32.600 0.011 0.000 1.302 2 E N 2.765 122.940 120.200 -0.042 0.000 2.235 2 E HA 0.757 5.107 4.350 -0.001 0.000 0.265 2 E C -1.173 175.361 176.600 -0.109 0.000 0.940 2 E CA -1.022 55.341 56.400 -0.063 0.000 0.819 2 E CB 2.592 32.248 29.700 -0.073 0.000 1.206 2 E HN 0.385 nan 8.360 nan 0.000 0.409 3 I N 2.056 122.563 120.570 -0.104 0.000 2.447 3 I HA 0.277 4.446 4.170 -0.001 0.000 0.287 3 I C -0.514 175.499 176.117 -0.174 0.000 1.023 3 I CA -0.548 60.669 61.300 -0.137 0.000 1.083 3 I CB 1.593 39.553 38.000 -0.067 0.000 1.245 3 I HN 0.412 nan 8.210 nan 0.000 0.434 4 K N 7.457 127.698 120.400 -0.266 0.000 2.394 4 K HA 0.502 4.822 4.320 -0.001 0.000 0.260 4 K C -0.532 175.835 176.600 -0.389 0.000 0.967 4 K CA -0.693 55.413 56.287 -0.302 0.000 0.855 4 K CB 1.539 33.833 32.500 -0.344 0.000 1.101 4 K HN 0.655 nan 8.250 nan 0.000 0.433 5 R N 3.845 124.170 120.500 -0.293 0.000 2.294 5 R HA 0.284 4.623 4.340 -0.001 0.000 0.319 5 R C -0.128 176.035 176.300 -0.229 0.000 0.984 5 R CA -0.608 55.359 56.100 -0.220 0.000 0.861 5 R CB 0.497 30.753 30.300 -0.074 0.000 1.104 5 R HN 0.366 nan 8.270 nan 0.000 0.451 6 F N 1.817 121.822 119.950 0.092 0.000 2.049 6 F HA 0.116 4.642 4.527 -0.001 0.000 0.288 6 F C 1.924 177.768 175.800 0.072 0.000 1.141 6 F CA 0.963 59.022 58.000 0.098 0.000 1.165 6 F CB -0.695 38.376 39.000 0.118 0.000 1.012 6 F HN 0.757 nan 8.300 nan 0.000 0.475 7 G N 1.620 110.605 108.800 0.309 0.000 2.178 7 G HA2 0.137 4.097 3.960 -0.001 0.000 0.244 7 G HA3 0.137 4.097 3.960 -0.001 0.000 0.244 7 G C -0.287 174.684 174.900 0.119 0.000 1.213 7 G CA -0.379 44.829 45.100 0.181 0.000 0.912 7 G HN 0.077 nan 8.290 nan 0.000 0.474 8 R N 2.399 122.962 120.500 0.105 0.000 2.363 8 R HA 0.264 4.604 4.340 -0.001 0.000 0.297 8 R C -0.852 175.486 176.300 0.065 0.000 1.208 8 R CA -0.887 55.258 56.100 0.075 0.000 1.121 8 R CB 0.650 30.992 30.300 0.070 0.000 1.124 8 R HN 0.522 nan 8.270 nan 0.000 0.561 9 I N -0.784 119.820 120.570 0.057 0.000 2.476 9 I HA 0.399 4.569 4.170 -0.001 0.000 0.281 9 I C 0.339 176.476 176.117 0.033 0.000 1.040 9 I CA -1.050 60.277 61.300 0.046 0.000 1.094 9 I CB 1.215 39.246 38.000 0.051 0.000 1.219 9 I HN -0.016 nan 8.210 nan 0.000 0.450 10 R N 4.331 124.846 120.500 0.026 0.000 2.543 10 R HA 0.023 4.363 4.340 -0.001 0.000 0.348 10 R C -0.280 176.031 176.300 0.017 0.000 0.981 10 R CA 0.273 56.386 56.100 0.021 0.000 1.019 10 R CB -0.110 30.200 30.300 0.017 0.000 0.944 10 R HN 0.665 nan 8.270 nan 0.000 0.425 11 E N 2.056 122.270 120.200 0.024 0.000 2.161 11 E HA -0.065 4.284 4.350 -0.001 0.000 0.263 11 E C 1.111 177.732 176.600 0.035 0.000 1.185 11 E CA -0.160 56.258 56.400 0.030 0.000 0.938 11 E CB 0.803 30.533 29.700 0.050 0.000 1.023 11 E HN 0.274 nan 8.360 nan 0.000 0.433 12 V N 5.335 125.262 119.914 0.022 0.000 2.427 12 V HA -0.081 4.039 4.120 -0.001 0.000 0.248 12 V C 0.690 176.816 176.094 0.054 0.000 1.051 12 V CA 1.473 63.789 62.300 0.026 0.000 1.048 12 V CB -0.013 31.814 31.823 0.006 0.000 0.666 12 V HN 0.508 nan 8.190 nan 0.000 0.456 13 I N -2.903 117.725 120.570 0.097 0.000 2.722 13 I HA 0.607 4.777 4.170 -0.001 0.000 0.295 13 I C -2.855 173.385 176.117 0.205 0.000 1.161 13 I CA -2.458 58.928 61.300 0.143 0.000 1.032 13 I CB 1.568 39.671 38.000 0.171 0.000 1.244 13 I HN -0.136 nan 8.210 nan 0.000 0.421 14 P HA 0.254 nan 4.420 nan 0.000 0.271 14 P C -0.672 176.577 177.300 -0.085 0.000 1.233 14 P CA -0.317 62.805 63.100 0.035 0.000 0.789 14 P CB 0.513 32.207 31.700 -0.011 0.000 0.951 15 L N 3.233 124.294 121.223 -0.271 0.000 2.456 15 L HA 0.212 4.552 4.340 -0.001 0.000 0.272 15 L C -1.820 174.826 176.870 -0.373 0.000 1.189 15 L CA -0.870 53.583 54.840 -0.645 0.000 0.846 15 L CB -0.641 41.123 42.059 -0.493 0.000 1.111 15 L HN 0.369 nan 8.230 nan 0.000 0.475 16 P HA 0.138 nan 4.420 nan 0.000 0.273 16 P C -2.575 174.629 177.300 -0.158 0.000 1.250 16 P CA -1.068 61.916 63.100 -0.194 0.000 0.793 16 P CB -0.139 31.467 31.700 -0.158 0.000 1.011 17 P HA 0.061 nan 4.420 nan 0.000 0.264 17 P C 0.500 177.747 177.300 -0.088 0.000 1.236 17 P CA 0.133 63.174 63.100 -0.098 0.000 0.811 17 P CB 0.012 31.662 31.700 -0.084 0.000 0.840 18 L N 3.144 124.316 121.223 -0.085 0.000 1.978 18 L HA -0.235 4.104 4.340 -0.001 0.000 0.218 18 L C 1.928 178.770 176.870 -0.048 0.000 1.075 18 L CA 2.341 57.141 54.840 -0.067 0.000 0.767 18 L CB -1.759 40.266 42.059 -0.055 0.000 0.890 18 L HN 0.330 nan 8.230 nan 0.000 0.434 19 T N -1.120 113.408 114.554 -0.044 0.000 3.361 19 T HA -0.074 4.275 4.350 -0.001 0.000 0.251 19 T C 1.471 176.153 174.700 -0.031 0.000 1.131 19 T CA 0.554 62.634 62.100 -0.032 0.000 1.001 19 T CB -0.498 68.348 68.868 -0.037 0.000 1.003 19 T HN 0.543 nan 8.240 nan 0.000 0.558 20 E N 1.751 121.926 120.200 -0.042 0.000 2.070 20 E HA -0.240 4.110 4.350 -0.001 0.000 0.197 20 E C 1.623 178.209 176.600 -0.023 0.000 1.004 20 E CA 1.478 57.852 56.400 -0.042 0.000 0.805 20 E CB -0.507 29.154 29.700 -0.065 0.000 0.744 20 E HN 0.456 nan 8.360 nan 0.000 0.451 21 I N 1.687 122.247 120.570 -0.017 0.000 2.113 21 I HA -0.339 3.831 4.170 -0.001 0.000 0.242 21 I C 2.815 178.949 176.117 0.028 0.000 1.064 21 I CA 1.816 63.117 61.300 0.001 0.000 1.320 21 I CB -0.624 37.379 38.000 0.005 0.000 1.028 21 I HN 0.203 nan 8.210 nan 0.000 0.406 22 Q N -0.209 119.610 119.800 0.031 0.000 2.163 22 Q HA -0.027 4.312 4.340 -0.001 0.000 0.198 22 Q C 2.517 178.551 176.000 0.057 0.000 0.954 22 Q CA 1.251 57.088 55.803 0.057 0.000 0.851 22 Q CB -0.058 28.707 28.738 0.046 0.000 0.928 22 Q HN 0.441 nan 8.270 nan 0.000 0.459 23 V N 1.421 121.347 119.914 0.019 0.000 2.283 23 V HA -0.188 3.931 4.120 -0.001 0.000 0.243 23 V C 2.086 178.210 176.094 0.049 0.000 1.039 23 V CA 1.603 63.913 62.300 0.015 0.000 1.016 23 V CB -0.389 31.423 31.823 -0.019 0.000 0.650 23 V HN 0.237 nan 8.190 nan 0.000 0.449 24 E N -0.067 120.149 120.200 0.028 0.000 2.208 24 E HA -0.109 4.241 4.350 -0.001 0.000 0.193 24 E C 2.433 179.063 176.600 0.051 0.000 0.988 24 E CA 1.222 57.636 56.400 0.024 0.000 0.828 24 E CB -0.361 29.335 29.700 -0.007 0.000 0.763 24 E HN 0.519 nan 8.360 nan 0.000 0.478 25 S N -0.014 115.733 115.700 0.079 0.000 2.356 25 S HA -0.187 4.282 4.470 -0.001 0.000 0.223 25 S C 1.831 176.536 174.600 0.176 0.000 1.032 25 S CA 0.822 59.085 58.200 0.106 0.000 1.005 25 S CB -0.228 63.044 63.200 0.121 0.000 0.867 25 S HN 0.267 nan 8.310 nan 0.000 0.449 26 Y N 2.231 122.563 120.300 0.054 0.000 2.509 26 Y HA 0.223 4.772 4.550 -0.001 0.000 0.293 26 Y C 2.383 178.305 175.900 0.036 0.000 1.133 26 Y CA 0.633 58.778 58.100 0.075 0.000 1.283 26 Y CB -0.257 38.272 38.460 0.115 0.000 1.001 26 Y HN 0.214 nan 8.280 nan 0.000 0.555 27 R N 0.079 120.621 120.500 0.071 0.000 2.056 27 R HA -0.137 4.203 4.340 -0.001 0.000 0.227 27 R C 2.343 178.625 176.300 -0.031 0.000 1.149 27 R CA 1.384 57.484 56.100 -0.000 0.000 0.937 27 R CB -0.281 30.025 30.300 0.010 0.000 0.835 27 R HN 0.179 nan 8.270 nan 0.000 0.430 28 R N 0.045 120.538 120.500 -0.011 0.000 2.193 28 R HA -0.080 4.259 4.340 -0.001 0.000 0.229 28 R C 2.050 178.321 176.300 -0.048 0.000 1.110 28 R CA 1.117 57.206 56.100 -0.018 0.000 0.988 28 R CB -0.129 30.166 30.300 -0.008 0.000 0.871 28 R HN 0.323 nan 8.270 nan 0.000 0.458 29 A N 1.179 123.956 122.820 -0.071 0.000 1.835 29 A HA -0.106 4.214 4.320 -0.001 0.000 0.215 29 A C 0.828 178.277 177.584 -0.226 0.000 1.199 29 A CA 1.065 53.021 52.037 -0.134 0.000 0.615 29 A CB -0.342 18.581 19.000 -0.129 0.000 0.838 29 A HN 0.277 nan 8.150 nan 0.000 0.444 30 L N -2.686 118.352 121.223 -0.307 0.000 2.321 30 L HA 0.465 4.804 4.340 -0.001 0.000 0.272 30 L C 0.504 177.335 176.870 -0.064 0.000 1.050 30 L CA -0.232 54.468 54.840 -0.233 0.000 0.893 30 L CB 0.930 42.771 42.059 -0.363 0.000 1.272 30 L HN 0.321 nan 8.230 nan 0.000 0.435 31 Q N 2.442 122.281 119.800 0.065 0.000 2.557 31 Q HA -0.025 4.314 4.340 -0.001 0.000 0.217 31 Q C 1.713 177.798 176.000 0.141 0.000 0.978 31 Q CA 0.777 56.656 55.803 0.127 0.000 0.950 31 Q CB 0.301 29.162 28.738 0.204 0.000 0.991 31 Q HN 0.971 nan 8.270 nan 0.000 0.533 32 A N 0.817 123.727 122.820 0.151 0.000 2.093 32 A HA -0.218 4.102 4.320 -0.001 0.000 0.222 32 A C 1.781 179.356 177.584 -0.014 0.000 1.162 32 A CA 1.743 53.807 52.037 0.046 0.000 0.655 32 A CB -0.409 18.625 19.000 0.056 0.000 0.805 32 A HN 0.396 nan 8.150 nan 0.000 0.461 33 D N -0.387 120.011 120.400 -0.004 0.000 2.219 33 D HA -0.035 4.604 4.640 -0.001 0.000 0.205 33 D C 0.636 176.920 176.300 -0.026 0.000 0.970 33 D CA 1.361 55.353 54.000 -0.014 0.000 0.851 33 D CB -0.013 40.781 40.800 -0.009 0.000 0.943 33 D HN 0.351 nan 8.370 nan 0.000 0.488 34 V N -1.171 118.728 119.914 -0.025 0.000 2.581 34 V HA 0.510 4.629 4.120 -0.001 0.000 0.303 34 V C -2.517 173.535 176.094 -0.070 0.000 1.041 34 V CA -2.324 59.956 62.300 -0.034 0.000 0.907 34 V CB 1.265 33.081 31.823 -0.011 0.000 0.994 34 V HN -0.231 nan 8.190 nan 0.000 0.442 35 P HA 0.130 nan 4.420 nan 0.000 0.269 35 P C -2.193 175.031 177.300 -0.126 0.000 1.205 35 P CA -0.680 62.351 63.100 -0.116 0.000 0.780 35 P CB -0.150 31.500 31.700 -0.083 0.000 0.858 36 P HA -0.149 nan 4.420 nan 0.000 0.226 36 P C 1.078 178.358 177.300 -0.033 0.000 1.146 36 P CA 1.255 64.279 63.100 -0.126 0.000 0.773 36 P CB -0.110 31.478 31.700 -0.188 0.000 0.772 37 E N 0.071 120.239 120.200 -0.054 0.000 2.031 37 E HA -0.118 4.232 4.350 -0.001 0.000 0.193 37 E C 0.461 177.058 176.600 -0.005 0.000 0.994 37 E CA 0.811 57.192 56.400 -0.032 0.000 0.800 37 E CB -0.269 29.407 29.700 -0.041 0.000 0.752 37 E HN 0.232 nan 8.360 nan 0.000 0.447 38 K N 1.806 122.204 120.400 -0.003 0.000 2.504 38 K HA -0.083 4.236 4.320 -0.001 0.000 0.278 38 K C 1.041 177.663 176.600 0.038 0.000 1.025 38 K CA 0.398 56.693 56.287 0.013 0.000 1.093 38 K CB 0.388 32.894 32.500 0.010 0.000 0.873 38 K HN 0.038 nan 8.250 nan 0.000 0.483 39 R N 2.023 122.540 120.500 0.030 0.000 2.080 39 R HA -0.141 4.198 4.340 -0.001 0.000 0.236 39 R C 0.211 176.539 176.300 0.046 0.000 1.137 39 R CA 1.204 57.325 56.100 0.035 0.000 0.943 39 R CB -0.328 29.985 30.300 0.021 0.000 0.846 39 R HN 0.655 nan 8.270 nan 0.000 0.431 40 E N 1.685 121.909 120.200 0.040 0.000 2.786 40 E HA -0.129 4.221 4.350 -0.001 0.000 0.229 40 E C -0.335 176.301 176.600 0.059 0.000 1.181 40 E CA 0.461 56.884 56.400 0.038 0.000 0.945 40 E CB -0.462 29.255 29.700 0.029 0.000 1.004 40 E HN 0.460 nan 8.360 nan 0.000 0.515 41 N N 0.663 119.392 118.700 0.049 0.000 2.328 41 N HA 0.051 4.791 4.740 -0.001 0.000 0.247 41 N C 0.056 175.570 175.510 0.007 0.000 1.165 41 N CA -0.460 52.622 53.050 0.053 0.000 0.873 41 N CB 0.537 39.068 38.487 0.073 0.000 1.125 41 N HN 0.160 nan 8.380 nan 0.000 0.513 42 V N -3.313 116.598 119.914 -0.006 0.000 3.489 42 V HA 0.807 4.926 4.120 -0.001 0.000 0.297 42 V C 1.441 177.496 176.094 -0.066 0.000 1.071 42 V CA -0.030 62.256 62.300 -0.023 0.000 1.074 42 V CB 0.219 32.033 31.823 -0.015 0.000 1.188 42 V HN 0.417 nan 8.190 nan 0.000 0.458 43 G N 0.034 108.792 108.800 -0.069 0.000 2.596 43 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.295 43 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.295 43 G C 0.595 175.382 174.900 -0.188 0.000 1.240 43 G CA 0.489 45.519 45.100 -0.116 0.000 0.985 43 G HN 1.053 nan 8.290 nan 0.000 0.555 44 I N 0.658 121.044 120.570 -0.307 0.000 2.496 44 I HA -0.371 3.799 4.170 -0.001 0.000 0.220 44 I C 2.812 178.701 176.117 -0.380 0.000 0.937 44 I CA 3.105 64.124 61.300 -0.468 0.000 1.248 44 I CB -1.561 36.112 38.000 -0.545 0.000 0.955 44 I HN 0.829 nan 8.210 nan 0.000 0.374 45 Q N 0.066 119.531 119.800 -0.560 0.000 2.152 45 Q HA -0.219 4.120 4.340 -0.001 0.000 0.206 45 Q C 2.210 178.136 176.000 -0.122 0.000 0.985 45 Q CA 2.385 57.906 55.803 -0.471 0.000 0.863 45 Q CB -0.051 28.402 28.738 -0.475 0.000 0.904 45 Q HN 0.587 nan 8.270 nan 0.000 0.422 46 A N 0.708 123.471 122.820 -0.095 0.000 1.845 46 A HA -0.113 4.206 4.320 -0.001 0.000 0.215 46 A C 2.330 179.916 177.584 0.005 0.000 1.195 46 A CA 1.751 53.777 52.037 -0.019 0.000 0.616 46 A CB -1.256 17.730 19.000 -0.022 0.000 0.832 46 A HN 0.568 nan 8.150 nan 0.000 0.443 47 A N -1.671 121.134 122.820 -0.025 0.000 1.978 47 A HA -0.070 4.249 4.320 -0.001 0.000 0.220 47 A C 1.963 179.566 177.584 0.032 0.000 1.170 47 A CA 1.681 53.714 52.037 -0.006 0.000 0.636 47 A CB -0.698 18.299 19.000 -0.006 0.000 0.810 47 A HN 0.471 nan 8.150 nan 0.000 0.448 48 F N -0.101 119.782 119.950 -0.113 0.000 2.075 48 F HA -0.077 4.449 4.527 -0.001 0.000 0.297 48 F C 2.390 178.162 175.800 -0.046 0.000 1.113 48 F CA 1.761 59.660 58.000 -0.167 0.000 1.218 48 F CB -0.396 38.250 39.000 -0.590 0.000 0.984 48 F HN 0.102 nan 8.300 nan 0.000 0.472 49 R N 0.215 120.832 120.500 0.194 0.000 2.189 49 R HA -0.104 4.235 4.340 -0.001 0.000 0.218 49 R C 2.197 178.595 176.300 0.163 0.000 1.074 49 R CA 0.882 57.104 56.100 0.204 0.000 0.991 49 R CB -0.441 29.957 30.300 0.163 0.000 0.883 49 R HN 0.391 nan 8.270 nan 0.000 0.457 50 E N -0.071 120.196 120.200 0.111 0.000 2.118 50 E HA -0.170 4.179 4.350 -0.001 0.000 0.195 50 E C 0.407 177.041 176.600 0.057 0.000 0.992 50 E CA 1.786 58.222 56.400 0.059 0.000 0.804 50 E CB 0.195 29.910 29.700 0.025 0.000 0.741 50 E HN 0.385 nan 8.360 nan 0.000 0.458 51 T N -2.857 111.749 114.554 0.088 0.000 3.170 51 T HA 0.147 4.497 4.350 -0.001 0.000 0.288 51 T C 0.840 175.596 174.700 0.093 0.000 0.992 51 T CA -0.573 61.556 62.100 0.048 0.000 0.909 51 T CB -0.216 68.636 68.868 -0.026 0.000 1.133 51 T HN 0.054 nan 8.240 nan 0.000 0.530 52 F N 2.989 123.003 119.950 0.106 0.000 2.188 52 F HA 0.353 4.880 4.527 -0.001 0.000 0.289 52 F C -1.910 173.956 175.800 0.110 0.000 1.082 52 F CA -0.497 57.591 58.000 0.147 0.000 1.282 52 F CB -0.529 38.593 39.000 0.203 0.000 1.060 52 F HN 0.004 nan 8.300 nan 0.000 0.493 53 P HA -0.012 nan 4.420 nan 0.000 0.257 53 P C -0.289 177.103 177.300 0.152 0.000 1.359 53 P CA 0.579 63.843 63.100 0.274 0.000 1.239 53 P CB -0.342 31.475 31.700 0.195 0.000 1.549 54 I N 2.306 122.944 120.570 0.114 0.000 2.329 54 I HA 0.142 4.311 4.170 -0.001 0.000 0.295 54 I C 0.143 176.294 176.117 0.056 0.000 1.109 54 I CA -0.498 60.828 61.300 0.044 0.000 1.297 54 I CB 0.260 38.252 38.000 -0.014 0.000 1.433 54 I HN 0.037 nan 8.210 nan 0.000 0.509 55 E N 7.204 127.438 120.200 0.056 0.000 2.081 55 E HA 0.249 4.598 4.350 -0.001 0.000 0.281 55 E C -1.010 175.619 176.600 0.049 0.000 0.986 55 E CA -0.217 56.217 56.400 0.057 0.000 0.796 55 E CB 0.667 30.407 29.700 0.067 0.000 1.085 55 E HN 0.457 nan 8.360 nan 0.000 0.398 56 E N 3.932 124.160 120.200 0.045 0.000 2.182 56 E HA 0.144 4.494 4.350 -0.001 0.000 0.258 56 E C -0.531 176.096 176.600 0.045 0.000 0.879 56 E CA -0.196 56.229 56.400 0.042 0.000 0.754 56 E CB 1.550 31.271 29.700 0.035 0.000 1.162 56 E HN 0.596 nan 8.360 nan 0.000 0.419 57 E N 2.528 122.756 120.200 0.047 0.000 2.329 57 E HA 0.123 4.473 4.350 -0.001 0.000 0.189 57 E C -0.696 175.928 176.600 0.040 0.000 0.997 57 E CA 0.511 56.938 56.400 0.045 0.000 1.062 57 E CB 0.461 30.189 29.700 0.047 0.000 1.260 57 E HN 0.290 nan 8.360 nan 0.000 0.490 58 D N 0.545 120.968 120.400 0.039 0.000 2.593 58 D HA 0.420 5.059 4.640 -0.001 0.000 0.251 58 D C -1.073 175.245 176.300 0.029 0.000 1.140 58 D CA -0.251 53.769 54.000 0.032 0.000 0.855 58 D CB 1.671 42.489 40.800 0.029 0.000 1.267 58 D HN 0.044 nan 8.370 nan 0.000 0.532 59 K N 1.257 121.672 120.400 0.025 0.000 2.429 59 K HA 0.413 4.733 4.320 -0.001 0.000 0.286 59 K C 0.166 176.778 176.600 0.020 0.000 1.592 59 K CA -0.256 56.044 56.287 0.021 0.000 0.894 59 K CB 0.887 33.400 32.500 0.022 0.000 1.417 59 K HN 0.696 nan 8.250 nan 0.000 0.457 60 G N 2.156 110.967 108.800 0.018 0.000 2.742 60 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.255 60 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.255 60 G C -0.919 173.993 174.900 0.019 0.000 1.322 60 G CA 0.039 45.148 45.100 0.016 0.000 0.967 60 G HN 0.320 nan 8.290 nan 0.000 0.556 61 K N 1.187 121.600 120.400 0.021 0.000 2.345 61 K HA 0.635 4.954 4.320 -0.001 0.000 0.255 61 K C 0.347 176.968 176.600 0.034 0.000 0.934 61 K CA 0.192 56.495 56.287 0.026 0.000 0.801 61 K CB 1.319 33.832 32.500 0.022 0.000 1.137 61 K HN 1.219 nan 8.250 nan 0.000 0.424 62 G N 0.480 109.304 108.800 0.040 0.000 3.100 62 G HA2 0.506 4.466 3.960 -0.001 0.000 0.174 62 G HA3 0.506 4.466 3.960 -0.001 0.000 0.174 62 G C 0.258 175.192 174.900 0.057 0.000 1.136 62 G CA -0.047 45.083 45.100 0.049 0.000 0.881 62 G HN 0.919 nan 8.290 nan 0.000 0.616 63 G N -1.091 107.741 108.800 0.054 0.000 2.131 63 G HA2 0.010 3.969 3.960 -0.001 0.000 0.223 63 G HA3 0.010 3.969 3.960 -0.001 0.000 0.223 63 G C 0.277 175.211 174.900 0.058 0.000 0.990 63 G CA 0.343 45.475 45.100 0.054 0.000 0.671 63 G HN 1.376 nan 8.290 nan 0.000 0.521 64 L N 1.083 122.341 121.223 0.059 0.000 2.534 64 L HA 0.529 4.869 4.340 -0.001 0.000 0.271 64 L C 0.125 177.021 176.870 0.043 0.000 1.178 64 L CA 0.252 55.124 54.840 0.054 0.000 0.907 64 L CB 1.011 43.102 42.059 0.054 0.000 1.164 64 L HN 0.258 nan 8.230 nan 0.000 0.482 65 V N 6.920 126.849 119.914 0.025 0.000 2.445 65 V HA 0.308 4.427 4.120 -0.001 0.000 0.283 65 V C -0.643 175.489 176.094 0.062 0.000 1.014 65 V CA -0.546 61.781 62.300 0.045 0.000 0.852 65 V CB 1.189 33.031 31.823 0.032 0.000 1.021 65 V HN 0.629 nan 8.190 nan 0.000 0.435 66 L N 4.158 125.461 121.223 0.132 0.000 2.296 66 L HA 0.803 5.143 4.340 -0.001 0.000 0.286 66 L C -0.630 176.537 176.870 0.496 0.000 1.023 66 L CA 0.608 55.599 54.840 0.252 0.000 0.812 66 L CB 1.237 43.411 42.059 0.191 0.000 1.223 66 L HN 0.545 nan 8.230 nan 0.000 0.421 67 D N 3.407 124.042 120.400 0.392 0.000 2.601 67 D HA 0.268 4.907 4.640 -0.001 0.000 0.230 67 D C -1.315 174.652 176.300 -0.556 0.000 1.106 67 D CA -0.169 53.903 54.000 0.119 0.000 0.873 67 D CB 2.194 43.018 40.800 0.039 0.000 1.515 67 D HN 0.313 nan 8.370 nan 0.000 0.468 68 F N 1.869 121.044 119.950 -1.291 0.000 2.396 68 F HA 0.278 4.804 4.527 -0.001 0.000 0.343 68 F C 0.287 175.716 175.800 -0.619 0.000 1.104 68 F CA -0.193 56.956 58.000 -1.418 0.000 1.161 68 F CB 0.526 38.681 39.000 -1.409 0.000 1.146 68 F HN 0.271 nan 8.300 nan 0.000 0.522 69 L N 2.100 122.510 121.223 -1.355 0.000 2.630 69 L HA 0.412 4.751 4.340 -0.001 0.000 0.180 69 L C -0.421 175.603 176.870 -1.409 0.000 1.221 69 L CA -0.100 54.119 54.840 -1.034 0.000 0.853 69 L CB -0.291 41.441 42.059 -0.544 0.000 1.172 69 L HN 0.424 nan 8.230 nan 0.000 0.508 70 E N -0.556 118.939 120.200 -1.175 0.000 2.321 70 E HA 0.310 4.659 4.350 -0.001 0.000 0.278 70 E C -1.758 174.810 176.600 -0.053 0.000 0.902 70 E CA -0.553 55.474 56.400 -0.621 0.000 0.758 70 E CB 2.091 31.582 29.700 -0.349 0.000 1.213 70 E HN 0.157 nan 8.360 nan 0.000 0.426 71 Y N 0.460 120.933 120.300 0.287 0.000 2.341 71 Y HA 0.748 5.298 4.550 -0.001 0.000 0.340 71 Y C -0.402 175.625 175.900 0.211 0.000 0.997 71 Y CA -1.159 57.149 58.100 0.346 0.000 1.149 71 Y CB 0.756 39.453 38.460 0.395 0.000 1.171 71 Y HN 0.398 nan 8.280 nan 0.000 0.494 72 R N 4.353 124.959 120.500 0.175 0.000 2.574 72 R HA 0.768 5.107 4.340 -0.001 0.000 0.288 72 R C -2.222 174.217 176.300 0.233 0.000 1.004 72 R CA -1.029 55.121 56.100 0.083 0.000 0.895 72 R CB 1.381 31.694 30.300 0.021 0.000 1.191 72 R HN 0.868 nan 8.270 nan 0.000 0.444 73 L N -0.673 120.638 121.223 0.145 0.000 2.431 73 L HA 1.029 5.368 4.340 -0.001 0.000 0.266 73 L C 0.146 177.060 176.870 0.073 0.000 0.978 73 L CA -0.141 54.762 54.840 0.105 0.000 0.822 73 L CB 2.599 44.689 42.059 0.052 0.000 1.310 73 L HN 0.811 nan 8.230 nan 0.000 0.409 74 G N 0.659 109.502 108.800 0.071 0.000 3.069 74 G HA2 0.098 4.057 3.960 -0.001 0.000 0.170 74 G HA3 0.098 4.057 3.960 -0.001 0.000 0.170 74 G C -0.342 174.561 174.900 0.005 0.000 1.494 74 G CA -0.155 44.967 45.100 0.036 0.000 0.737 74 G HN 0.450 nan 8.290 nan 0.000 0.992 75 E N 2.375 122.576 120.200 0.002 0.000 2.063 75 E HA 0.501 4.851 4.350 -0.001 0.000 0.265 75 E C -2.535 173.993 176.600 -0.120 0.000 0.919 75 E CA -2.362 54.008 56.400 -0.050 0.000 0.756 75 E CB 1.601 31.275 29.700 -0.042 0.000 1.120 75 E HN 0.112 nan 8.360 nan 0.000 0.414 76 P HA 0.002 nan 4.420 nan 0.000 0.261 76 P C -1.899 175.220 177.300 -0.301 0.000 1.183 76 P CA -0.780 62.173 63.100 -0.245 0.000 0.761 76 P CB 0.505 32.039 31.700 -0.277 0.000 0.785 77 P HA -0.127 nan 4.420 nan 0.000 0.215 77 P C -0.228 176.524 177.300 -0.913 0.000 1.157 77 P CA 1.603 64.369 63.100 -0.558 0.000 0.874 77 P CB 0.070 31.573 31.700 -0.328 0.000 0.790 78 F N -3.164 116.683 119.950 -0.171 0.000 2.706 78 F HA 0.508 5.034 4.527 -0.001 0.000 0.328 78 F C -2.312 173.364 175.800 -0.207 0.000 1.123 78 F CA -2.159 55.762 58.000 -0.133 0.000 0.978 78 F CB 0.795 39.751 39.000 -0.074 0.000 1.404 78 F HN -0.327 nan 8.300 nan 0.000 0.497 79 P HA 0.269 nan 4.420 nan 0.000 0.287 79 P C -0.665 176.804 177.300 0.281 0.000 1.290 79 P CA -0.503 62.685 63.100 0.146 0.000 0.889 79 P CB 1.779 33.569 31.700 0.150 0.000 1.190 80 Q N 0.908 121.037 119.800 0.549 0.000 1.928 80 Q HA -0.269 4.071 4.340 -0.001 0.000 0.223 80 Q C 1.298 177.439 176.000 0.234 0.000 1.042 80 Q CA 2.469 58.530 55.803 0.429 0.000 0.892 80 Q CB -1.470 27.359 28.738 0.153 0.000 1.001 80 Q HN 0.511 nan 8.270 nan 0.000 0.419 81 D N 0.676 121.176 120.400 0.167 0.000 2.133 81 D HA -0.150 4.490 4.640 -0.001 0.000 0.195 81 D C 1.833 178.199 176.300 0.110 0.000 0.997 81 D CA 1.137 55.222 54.000 0.141 0.000 0.840 81 D CB -0.240 40.651 40.800 0.151 0.000 0.947 81 D HN 0.272 nan 8.370 nan 0.000 0.452 82 E N -0.413 119.853 120.200 0.109 0.000 2.265 82 E HA -0.110 4.239 4.350 -0.001 0.000 0.196 82 E C 1.808 178.423 176.600 0.024 0.000 0.996 82 E CA 0.387 56.819 56.400 0.052 0.000 0.832 82 E CB -0.093 29.647 29.700 0.067 0.000 0.756 82 E HN 0.359 nan 8.360 nan 0.000 0.491 83 C N -0.252 119.106 119.300 0.097 0.000 2.495 83 C HA 0.089 4.549 4.460 -0.001 0.000 0.275 83 C C 2.518 177.552 174.990 0.073 0.000 1.392 83 C CA 0.029 59.104 59.018 0.095 0.000 1.766 83 C CB -0.592 27.276 27.740 0.212 0.000 1.933 83 C HN 0.330 nan 8.230 nan 0.000 0.519 84 R N 0.346 120.893 120.500 0.079 0.000 2.146 84 R HA -0.005 4.335 4.340 -0.001 0.000 0.206 84 R C 2.141 178.478 176.300 0.062 0.000 1.049 84 R CA 0.574 56.714 56.100 0.067 0.000 1.029 84 R CB -0.138 30.211 30.300 0.081 0.000 0.949 84 R HN 0.580 nan 8.270 nan 0.000 0.471 85 E N 1.288 121.517 120.200 0.049 0.000 2.031 85 E HA -0.103 4.247 4.350 -0.001 0.000 0.193 85 E C -0.223 176.388 176.600 0.018 0.000 0.994 85 E CA 1.148 57.568 56.400 0.033 0.000 0.800 85 E CB 0.284 29.984 29.700 0.001 0.000 0.752 85 E HN 0.039 nan 8.360 nan 0.000 0.447 86 K N 1.282 121.672 120.400 -0.016 0.000 2.144 86 K HA 0.128 4.448 4.320 -0.001 0.000 0.270 86 K C -1.034 175.553 176.600 -0.021 0.000 1.005 86 K CA -0.439 55.823 56.287 -0.042 0.000 0.932 86 K CB 1.110 33.537 32.500 -0.122 0.000 1.021 86 K HN 0.002 nan 8.250 nan 0.000 0.462 87 D N 2.672 123.066 120.400 -0.010 0.000 2.429 87 D HA 0.040 4.679 4.640 -0.001 0.000 0.253 87 D C -0.634 175.669 176.300 0.005 0.000 1.294 87 D CA 0.301 54.307 54.000 0.009 0.000 1.063 87 D CB 0.031 40.841 40.800 0.018 0.000 1.096 87 D HN -0.034 nan 8.370 nan 0.000 0.516 88 L N 1.219 122.452 121.223 0.017 0.000 2.309 88 L HA 0.556 4.895 4.340 -0.001 0.000 0.261 88 L C -0.267 176.653 176.870 0.083 0.000 1.021 88 L CA -0.695 54.164 54.840 0.033 0.000 0.823 88 L CB 2.223 44.277 42.059 -0.009 0.000 1.366 88 L HN 0.106 nan 8.230 nan 0.000 0.423 89 T N 1.831 116.449 114.554 0.107 0.000 2.821 89 T HA 0.230 4.580 4.350 -0.001 0.000 0.307 89 T C -0.730 174.067 174.700 0.162 0.000 1.034 89 T CA -0.272 61.906 62.100 0.130 0.000 0.953 89 T CB -0.372 68.562 68.868 0.110 0.000 0.968 89 T HN 0.327 nan 8.240 nan 0.000 0.462 90 Y N 5.722 126.059 120.300 0.061 0.000 2.828 90 Y HA 0.196 4.745 4.550 -0.001 0.000 0.364 90 Y C 0.426 176.345 175.900 0.032 0.000 1.277 90 Y CA 0.477 58.612 58.100 0.059 0.000 1.713 90 Y CB -0.169 38.316 38.460 0.043 0.000 1.278 90 Y HN 0.616 nan 8.280 nan 0.000 0.502 91 Q N 4.237 124.047 119.800 0.017 0.000 2.331 91 Q HA 0.734 5.074 4.340 -0.001 0.000 0.272 91 Q C -0.987 174.940 176.000 -0.122 0.000 1.062 91 Q CA -1.124 54.689 55.803 0.018 0.000 0.806 91 Q CB 1.943 30.711 28.738 0.051 0.000 1.312 91 Q HN 0.680 nan 8.270 nan 0.000 0.431 92 A N 3.029 125.808 122.820 -0.067 0.000 2.302 92 A HA 0.683 5.003 4.320 -0.001 0.000 0.285 92 A C -2.293 175.150 177.584 -0.236 0.000 1.105 92 A CA -1.388 50.572 52.037 -0.129 0.000 0.816 92 A CB 0.104 19.087 19.000 -0.028 0.000 1.067 92 A HN 0.458 nan 8.150 nan 0.000 0.489 93 P HA 0.431 nan 4.420 nan 0.000 0.296 93 P C -1.298 175.738 177.300 -0.440 0.000 1.306 93 P CA -0.294 62.551 63.100 -0.425 0.000 0.818 93 P CB 1.380 32.832 31.700 -0.414 0.000 0.969 94 L N 6.094 127.114 121.223 -0.339 0.000 2.356 94 L HA 0.576 4.915 4.340 -0.001 0.000 0.277 94 L C -1.746 175.050 176.870 -0.122 0.000 0.996 94 L CA -0.844 53.889 54.840 -0.178 0.000 0.822 94 L CB 0.957 43.076 42.059 0.100 0.000 1.256 94 L HN 0.224 nan 8.230 nan 0.000 0.413 95 Y N 3.384 123.874 120.300 0.317 0.000 2.315 95 Y HA 0.866 5.415 4.550 -0.001 0.000 0.324 95 Y C -0.216 175.869 175.900 0.309 0.000 1.062 95 Y CA -1.561 56.736 58.100 0.328 0.000 1.159 95 Y CB 0.376 38.993 38.460 0.262 0.000 1.145 95 Y HN 0.786 nan 8.280 nan 0.000 0.442 96 A N 3.528 126.685 122.820 0.562 0.000 2.306 96 A HA 0.782 5.101 4.320 -0.001 0.000 0.330 96 A C -0.018 177.756 177.584 0.316 0.000 1.146 96 A CA -1.221 51.086 52.037 0.449 0.000 0.827 96 A CB 0.775 20.075 19.000 0.500 0.000 1.178 96 A HN 0.808 nan 8.150 nan 0.000 0.490 97 R N -0.059 120.521 120.500 0.132 0.000 2.442 97 R HA 0.405 4.744 4.340 -0.001 0.000 0.291 97 R C -1.393 174.929 176.300 0.036 0.000 1.069 97 R CA 0.091 56.214 56.100 0.038 0.000 1.022 97 R CB 0.090 30.334 30.300 -0.095 0.000 0.976 97 R HN 0.480 nan 8.270 nan 0.000 0.443 98 L N 2.291 123.588 121.223 0.123 0.000 2.431 98 L HA 0.359 4.698 4.340 -0.001 0.000 0.266 98 L C -0.639 176.313 176.870 0.137 0.000 0.978 98 L CA -0.686 54.282 54.840 0.213 0.000 0.822 98 L CB 1.869 44.237 42.059 0.515 0.000 1.310 98 L HN 0.583 nan 8.230 nan 0.000 0.409 99 Q N 2.364 122.228 119.800 0.108 0.000 2.285 99 Q HA 0.700 5.040 4.340 -0.001 0.000 0.269 99 Q C -1.493 174.544 176.000 0.061 0.000 1.030 99 Q CA -0.922 54.916 55.803 0.058 0.000 0.788 99 Q CB 2.844 31.580 28.738 -0.004 0.000 1.266 99 Q HN 0.548 nan 8.270 nan 0.000 0.438 100 L N 4.072 125.305 121.223 0.016 0.000 2.275 100 L HA 0.456 4.796 4.340 -0.001 0.000 0.288 100 L C -1.014 175.685 176.870 -0.285 0.000 1.046 100 L CA -0.513 54.287 54.840 -0.066 0.000 0.805 100 L CB 0.801 42.839 42.059 -0.035 0.000 1.193 100 L HN 0.686 nan 8.230 nan 0.000 0.426 101 I N 4.321 124.737 120.570 -0.256 0.000 2.834 101 I HA 0.370 4.540 4.170 -0.001 0.000 0.305 101 I C 0.141 175.983 176.117 -0.458 0.000 1.008 101 I CA -0.335 60.792 61.300 -0.288 0.000 1.273 101 I CB 0.896 38.844 38.000 -0.087 0.000 1.432 101 I HN 0.604 nan 8.210 nan 0.000 0.557 102 H N 2.672 121.762 119.070 0.034 0.000 2.821 102 H HA 0.344 4.899 4.556 -0.001 0.000 0.373 102 H C 0.177 175.519 175.328 0.024 0.000 1.165 102 H CA -0.666 55.399 56.048 0.029 0.000 1.154 102 H CB 1.988 31.765 29.762 0.025 0.000 1.765 102 H HN 0.394 nan 8.280 nan 0.000 0.549 103 K N 0.356 120.853 120.400 0.162 0.000 2.365 103 K HA -0.025 4.295 4.320 -0.001 0.000 0.199 103 K C -0.010 176.636 176.600 0.077 0.000 1.045 103 K CA 0.737 57.079 56.287 0.091 0.000 0.962 103 K CB 0.305 32.845 32.500 0.067 0.000 0.759 103 K HN 0.564 nan 8.250 nan 0.000 0.469 104 D N -0.139 120.315 120.400 0.090 0.000 2.326 104 D HA -0.013 4.626 4.640 -0.001 0.000 0.251 104 D C -0.186 176.158 176.300 0.075 0.000 1.023 104 D CA -0.459 53.574 54.000 0.054 0.000 0.966 104 D CB 0.903 41.710 40.800 0.013 0.000 1.156 104 D HN -0.263 nan 8.370 nan 0.000 0.494 105 T N -0.729 113.854 114.554 0.048 0.000 2.793 105 T HA 0.421 4.770 4.350 -0.001 0.000 0.289 105 T C 0.160 174.903 174.700 0.072 0.000 0.956 105 T CA 0.536 62.667 62.100 0.053 0.000 1.177 105 T CB -1.045 67.842 68.868 0.031 0.000 0.897 105 T HN 0.734 nan 8.240 nan 0.000 0.533 106 G N 4.359 113.226 108.800 0.111 0.000 2.249 106 G HA2 0.325 4.285 3.960 -0.001 0.000 0.252 106 G HA3 0.325 4.285 3.960 -0.001 0.000 0.252 106 G C -1.541 173.503 174.900 0.240 0.000 1.697 106 G CA -1.016 44.180 45.100 0.160 0.000 0.916 106 G HN 0.874 nan 8.290 nan 0.000 0.725 107 L N 2.953 124.254 121.223 0.130 0.000 2.471 107 L HA 0.503 4.842 4.340 -0.001 0.000 0.263 107 L C 0.044 176.933 176.870 0.032 0.000 0.985 107 L CA -0.752 54.099 54.840 0.018 0.000 0.868 107 L CB 1.564 43.615 42.059 -0.014 0.000 1.203 107 L HN 0.464 nan 8.230 nan 0.000 0.429 108 I N 2.348 122.946 120.570 0.046 0.000 2.342 108 I HA 0.310 4.480 4.170 -0.001 0.000 0.291 108 I C 0.222 176.364 176.117 0.041 0.000 1.010 108 I CA -0.278 61.065 61.300 0.072 0.000 1.308 108 I CB 1.253 39.334 38.000 0.135 0.000 1.400 108 I HN 0.542 nan 8.210 nan 0.000 0.488 109 K N 6.140 126.562 120.400 0.036 0.000 2.389 109 K HA 0.184 4.503 4.320 -0.001 0.000 0.261 109 K C -0.435 176.192 176.600 0.045 0.000 1.014 109 K CA -0.456 55.851 56.287 0.034 0.000 0.920 109 K CB 0.872 33.377 32.500 0.008 0.000 1.149 109 K HN 0.484 nan 8.250 nan 0.000 0.444 110 E N 4.118 124.360 120.200 0.069 0.000 1.924 110 E HA 0.018 4.368 4.350 -0.001 0.000 0.261 110 E C -0.325 176.327 176.600 0.085 0.000 1.088 110 E CA 0.005 56.450 56.400 0.075 0.000 0.909 110 E CB 0.618 30.373 29.700 0.092 0.000 1.112 110 E HN 0.616 nan 8.360 nan 0.000 0.425 111 D N 2.074 122.505 120.400 0.052 0.000 2.355 111 D HA -0.225 4.415 4.640 -0.001 0.000 0.192 111 D C 0.124 176.467 176.300 0.072 0.000 1.014 111 D CA 1.705 55.726 54.000 0.036 0.000 0.862 111 D CB 0.242 41.040 40.800 -0.004 0.000 0.986 111 D HN 0.444 nan 8.370 nan 0.000 0.456 112 E N -0.375 119.867 120.200 0.069 0.000 2.227 112 E HA 0.547 4.896 4.350 -0.001 0.000 0.268 112 E C -0.861 175.871 176.600 0.220 0.000 0.907 112 E CA -0.736 55.735 56.400 0.119 0.000 0.786 112 E CB 2.851 32.512 29.700 -0.065 0.000 1.191 112 E HN -0.111 nan 8.360 nan 0.000 0.411 113 V N 2.446 122.580 119.914 0.366 0.000 2.568 113 V HA 0.149 4.268 4.120 -0.001 0.000 0.276 113 V C -0.786 175.639 176.094 0.551 0.000 1.002 113 V CA -1.010 61.530 62.300 0.400 0.000 0.879 113 V CB 0.183 32.180 31.823 0.290 0.000 1.040 113 V HN 0.593 nan 8.190 nan 0.000 0.457 114 F N 5.551 125.729 119.950 0.380 0.000 2.464 114 F HA 0.759 5.286 4.527 -0.001 0.000 0.353 114 F C -0.425 175.464 175.800 0.149 0.000 1.191 114 F CA -1.951 56.219 58.000 0.284 0.000 1.147 114 F CB -0.014 39.157 39.000 0.285 0.000 1.294 114 F HN 0.343 nan 8.300 nan 0.000 0.583 115 L N 2.452 123.764 121.223 0.149 0.000 2.280 115 L HA 0.997 5.336 4.340 -0.001 0.000 0.287 115 L C 0.146 177.047 176.870 0.052 0.000 1.023 115 L CA -0.752 54.090 54.840 0.003 0.000 0.819 115 L CB 1.052 43.133 42.059 0.036 0.000 1.212 115 L HN 1.072 nan 8.230 nan 0.000 0.420 116 G N 1.406 110.194 108.800 -0.021 0.000 3.172 116 G HA2 -0.106 3.853 3.960 -0.001 0.000 0.686 116 G HA3 -0.106 3.853 3.960 -0.001 0.000 0.686 116 G C -1.079 174.009 174.900 0.312 0.000 1.009 116 G CA -0.778 44.379 45.100 0.094 0.000 0.787 116 G HN 0.944 nan 8.290 nan 0.000 0.559 117 H N 0.892 119.993 119.070 0.053 0.000 2.718 117 H HA 0.535 5.091 4.556 -0.001 0.000 0.295 117 H C 0.935 176.308 175.328 0.075 0.000 1.051 117 H CA -0.336 55.746 56.048 0.058 0.000 1.260 117 H CB 0.780 30.572 29.762 0.050 0.000 1.403 117 H HN 0.873 nan 8.280 nan 0.000 0.488 118 I N 1.072 121.737 120.570 0.160 0.000 2.437 118 I HA 0.592 4.762 4.170 -0.001 0.000 0.298 118 I C -2.700 173.453 176.117 0.061 0.000 0.984 118 I CA -2.521 58.857 61.300 0.129 0.000 1.214 118 I CB 2.047 40.143 38.000 0.160 0.000 1.365 118 I HN 0.179 nan 8.210 nan 0.000 0.469 119 P HA 0.212 nan 4.420 nan 0.000 0.268 119 P C -0.928 176.510 177.300 0.231 0.000 1.208 119 P CA 0.039 63.083 63.100 -0.092 0.000 0.777 119 P CB 0.561 31.774 31.700 -0.812 0.000 0.875 120 L N 1.310 122.703 121.223 0.284 0.000 2.313 120 L HA 0.592 4.931 4.340 -0.001 0.000 0.268 120 L C 0.291 177.079 176.870 -0.137 0.000 1.010 120 L CA -1.057 53.928 54.840 0.242 0.000 0.814 120 L CB 1.329 43.563 42.059 0.293 0.000 1.304 120 L HN 0.288 nan 8.230 nan 0.000 0.441 121 M N 0.195 119.623 119.600 -0.288 0.000 2.300 121 M HA 0.326 4.805 4.480 -0.001 0.000 0.348 121 M C -0.284 175.731 176.300 -0.474 0.000 1.151 121 M CA -0.140 54.712 55.300 -0.746 0.000 1.046 121 M CB 1.751 34.025 32.600 -0.542 0.000 1.647 121 M HN 0.542 nan 8.290 nan 0.000 0.451 122 T N 2.285 116.537 114.554 -0.503 0.000 2.860 122 T HA 0.063 4.413 4.350 -0.001 0.000 0.299 122 T C 1.050 175.601 174.700 -0.248 0.000 1.045 122 T CA -0.433 61.454 62.100 -0.354 0.000 1.071 122 T CB 0.585 69.270 68.868 -0.304 0.000 0.985 122 T HN 0.695 nan 8.240 nan 0.000 0.537 123 E N 0.746 120.833 120.200 -0.188 0.000 2.273 123 E HA -0.211 4.138 4.350 -0.001 0.000 0.198 123 E C 1.453 177.978 176.600 -0.126 0.000 1.002 123 E CA 1.591 57.910 56.400 -0.135 0.000 0.828 123 E CB -0.064 29.568 29.700 -0.113 0.000 0.747 123 E HN 0.740 nan 8.360 nan 0.000 0.491 124 D N -1.573 118.743 120.400 -0.140 0.000 2.183 124 D HA 0.012 4.651 4.640 -0.001 0.000 0.205 124 D C 1.426 177.662 176.300 -0.107 0.000 0.962 124 D CA 0.996 54.929 54.000 -0.111 0.000 0.849 124 D CB 0.125 40.859 40.800 -0.109 0.000 0.978 124 D HN 0.200 nan 8.370 nan 0.000 0.488 125 G N -0.502 108.208 108.800 -0.150 0.000 2.485 125 G HA2 -0.125 3.835 3.960 -0.001 0.000 0.181 125 G HA3 -0.125 3.835 3.960 -0.001 0.000 0.181 125 G C 0.300 175.107 174.900 -0.155 0.000 0.999 125 G CA 0.124 45.140 45.100 -0.139 0.000 0.721 125 G HN 0.713 nan 8.290 nan 0.000 0.486 126 S N -0.193 115.412 115.700 -0.158 0.000 2.713 126 S HA 0.886 5.355 4.470 -0.001 0.000 0.283 126 S C 0.041 174.522 174.600 -0.199 0.000 1.161 126 S CA -0.581 57.578 58.200 -0.067 0.000 0.999 126 S CB 1.791 64.966 63.200 -0.042 0.000 1.039 126 S HN 0.259 nan 8.310 nan 0.000 0.548 127 F N -0.036 119.858 119.950 -0.093 0.000 2.561 127 F HA 0.670 5.196 4.527 -0.001 0.000 0.384 127 F C 0.136 175.866 175.800 -0.116 0.000 1.131 127 F CA -1.303 56.635 58.000 -0.104 0.000 1.133 127 F CB 0.794 39.783 39.000 -0.018 0.000 1.506 127 F HN 0.464 nan 8.300 nan 0.000 0.499 128 I N 1.322 121.993 120.570 0.169 0.000 2.603 128 I HA 0.145 4.314 4.170 -0.001 0.000 0.276 128 I C -0.590 175.602 176.117 0.124 0.000 1.133 128 I CA -0.079 61.272 61.300 0.085 0.000 1.070 128 I CB 1.059 39.093 38.000 0.057 0.000 1.215 128 I HN 0.400 nan 8.210 nan 0.000 0.487 129 I N 3.169 123.798 120.570 0.098 0.000 2.558 129 I HA 0.036 4.205 4.170 -0.001 0.000 0.229 129 I C 0.769 176.936 176.117 0.082 0.000 1.060 129 I CA 1.094 62.452 61.300 0.096 0.000 1.396 129 I CB -0.083 37.987 38.000 0.117 0.000 1.207 129 I HN 0.437 nan 8.210 nan 0.000 0.423 130 N N 0.049 118.786 118.700 0.062 0.000 2.626 130 N HA 0.462 5.201 4.740 -0.001 0.000 0.249 130 N C 0.456 175.986 175.510 0.033 0.000 1.021 130 N CA 0.622 53.706 53.050 0.058 0.000 0.886 130 N CB 1.385 39.912 38.487 0.068 0.000 1.149 130 N HN 0.517 nan 8.380 nan 0.000 0.517 131 G N 1.634 110.450 108.800 0.028 0.000 2.855 131 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.231 131 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.231 131 G C 0.326 175.193 174.900 -0.055 0.000 1.242 131 G CA 0.473 45.578 45.100 0.008 0.000 0.789 131 G HN 0.857 nan 8.290 nan 0.000 0.517 132 A N 0.402 123.141 122.820 -0.135 0.000 2.324 132 A HA 0.627 4.946 4.320 -0.001 0.000 0.330 132 A C -0.408 177.004 177.584 -0.287 0.000 1.165 132 A CA -0.051 51.778 52.037 -0.346 0.000 0.813 132 A CB 0.750 19.258 19.000 -0.820 0.000 1.197 132 A HN 0.257 nan 8.150 nan 0.000 0.484 133 D N 1.392 121.626 120.400 -0.277 0.000 2.458 133 D HA 0.337 4.976 4.640 -0.001 0.000 0.243 133 D C 0.423 176.614 176.300 -0.182 0.000 1.146 133 D CA 0.912 54.812 54.000 -0.166 0.000 0.877 133 D CB 0.471 41.183 40.800 -0.146 0.000 1.176 133 D HN 0.459 nan 8.370 nan 0.000 0.461 134 R N 0.773 121.257 120.500 -0.027 0.000 2.919 134 R HA 0.782 5.121 4.340 -0.001 0.000 0.260 134 R C -1.053 175.302 176.300 0.092 0.000 1.067 134 R CA -1.133 54.962 56.100 -0.008 0.000 1.003 134 R CB 1.827 32.134 30.300 0.011 0.000 1.192 134 R HN 0.144 nan 8.270 nan 0.000 0.488 135 V N 2.033 121.975 119.914 0.046 0.000 2.709 135 V HA 0.423 4.542 4.120 -0.001 0.000 0.308 135 V C -0.326 175.783 176.094 0.026 0.000 1.062 135 V CA -0.801 61.568 62.300 0.115 0.000 0.901 135 V CB 2.234 34.142 31.823 0.141 0.000 1.003 135 V HN 0.574 nan 8.190 nan 0.000 0.425 136 I N 4.808 125.389 120.570 0.017 0.000 2.304 136 I HA 0.312 4.482 4.170 -0.001 0.000 0.291 136 I C 0.005 176.122 176.117 0.000 0.000 1.018 136 I CA -0.433 60.814 61.300 -0.088 0.000 1.260 136 I CB 1.674 39.575 38.000 -0.165 0.000 1.390 136 I HN 0.514 nan 8.210 nan 0.000 0.475 137 V N 3.418 123.320 119.914 -0.020 0.000 2.509 137 V HA 0.425 4.545 4.120 -0.001 0.000 0.284 137 V C 0.742 176.826 176.094 -0.017 0.000 1.047 137 V CA -0.593 61.702 62.300 -0.009 0.000 0.952 137 V CB 1.062 32.867 31.823 -0.029 0.000 0.988 137 V HN 0.727 nan 8.190 nan 0.000 0.469 138 S N 2.864 118.560 115.700 -0.007 0.000 2.658 138 S HA 0.262 4.732 4.470 -0.001 0.000 0.249 138 S C -0.058 174.527 174.600 -0.025 0.000 1.363 138 S CA -0.138 58.057 58.200 -0.008 0.000 0.964 138 S CB 0.270 63.470 63.200 0.001 0.000 0.973 138 S HN 0.972 nan 8.310 nan 0.000 0.588 139 Q N -0.548 119.229 119.800 -0.037 0.000 2.522 139 Q HA 0.537 4.876 4.340 -0.001 0.000 0.285 139 Q C -2.009 173.955 176.000 -0.061 0.000 0.982 139 Q CA -0.712 55.055 55.803 -0.060 0.000 0.805 139 Q CB 1.135 29.813 28.738 -0.100 0.000 1.457 139 Q HN 0.606 nan 8.270 nan 0.000 0.394 140 I N -1.081 119.481 120.570 -0.013 0.000 2.846 140 I HA 0.733 4.902 4.170 -0.001 0.000 0.307 140 I C -0.718 175.503 176.117 0.174 0.000 1.053 140 I CA -0.236 61.129 61.300 0.108 0.000 1.050 140 I CB 1.890 39.976 38.000 0.144 0.000 1.239 140 I HN 0.769 nan 8.210 nan 0.000 0.439 141 H N 0.155 119.287 119.070 0.104 0.000 2.917 141 H HA 0.543 5.098 4.556 -0.001 0.000 0.299 141 H C -1.015 174.395 175.328 0.136 0.000 1.418 141 H CA -1.410 54.710 56.048 0.120 0.000 1.138 141 H CB 0.817 30.652 29.762 0.122 0.000 1.830 141 H HN 0.429 nan 8.280 nan 0.000 0.514 142 R N 2.203 122.831 120.500 0.213 0.000 2.446 142 R HA 0.030 4.370 4.340 -0.001 0.000 0.325 142 R C 0.083 176.376 176.300 -0.013 0.000 0.997 142 R CA 0.392 56.550 56.100 0.096 0.000 1.010 142 R CB 0.402 30.802 30.300 0.167 0.000 0.946 142 R HN 0.735 nan 8.270 nan 0.000 0.422 143 S N 3.978 119.713 115.700 0.058 0.000 2.593 143 S HA 0.024 4.494 4.470 -0.001 0.000 0.300 143 S C -2.206 172.437 174.600 0.071 0.000 1.267 143 S CA -1.026 57.186 58.200 0.020 0.000 1.065 143 S CB 0.341 63.834 63.200 0.489 0.000 0.807 143 S HN 0.290 nan 8.310 nan 0.000 0.499 144 P HA 0.244 nan 4.420 nan 0.000 0.254 144 P C 0.556 177.880 177.300 0.040 0.000 1.186 144 P CA 0.621 63.704 63.100 -0.028 0.000 0.868 144 P CB -0.079 31.599 31.700 -0.038 0.000 0.856 145 G N 1.462 110.202 108.800 -0.100 0.000 2.896 145 G HA2 0.573 4.533 3.960 -0.001 0.000 0.247 145 G HA3 0.573 4.533 3.960 -0.001 0.000 0.247 145 G C -1.589 172.915 174.900 -0.661 0.000 1.187 145 G CA -0.382 44.521 45.100 -0.329 0.000 0.837 145 G HN 0.218 nan 8.290 nan 0.000 0.559 146 V N 0.311 119.563 119.914 -1.103 0.000 2.733 146 V HA 0.674 4.794 4.120 -0.001 0.000 0.306 146 V C -1.666 173.661 176.094 -1.278 0.000 1.084 146 V CA -0.605 61.117 62.300 -0.964 0.000 0.905 146 V CB 1.382 32.849 31.823 -0.593 0.000 1.010 146 V HN 0.674 nan 8.190 nan 0.000 0.424 147 Y N 2.699 122.849 120.300 -0.250 0.000 2.534 147 Y HA 0.650 5.199 4.550 -0.001 0.000 0.345 147 Y C -0.678 175.158 175.900 -0.108 0.000 1.031 147 Y CA -1.085 56.863 58.100 -0.253 0.000 1.022 147 Y CB 1.883 40.279 38.460 -0.108 0.000 1.292 147 Y HN 0.494 nan 8.280 nan 0.000 0.459 148 F N 1.391 121.415 119.950 0.122 0.000 2.361 148 F HA 0.489 5.015 4.527 -0.001 0.000 0.364 148 F C 0.399 176.219 175.800 0.033 0.000 1.120 148 F CA -0.667 57.364 58.000 0.052 0.000 1.102 148 F CB 1.650 40.630 39.000 -0.034 0.000 1.183 148 F HN 0.383 nan 8.300 nan 0.000 0.476 149 T N 4.580 119.303 114.554 0.281 0.000 2.885 149 T HA 0.426 4.776 4.350 -0.001 0.000 0.285 149 T C -2.666 172.187 174.700 0.256 0.000 1.019 149 T CA -2.442 59.782 62.100 0.206 0.000 1.010 149 T CB 1.584 70.554 68.868 0.170 0.000 1.022 149 T HN 0.142 nan 8.240 nan 0.000 0.466 150 P HA 0.045 nan 4.420 nan 0.000 0.265 150 P C -0.362 177.041 177.300 0.171 0.000 1.187 150 P CA -0.100 63.184 63.100 0.306 0.000 0.766 150 P CB 0.335 32.178 31.700 0.237 0.000 0.820 151 D N 4.036 124.506 120.400 0.115 0.000 2.488 151 D HA -0.032 4.607 4.640 -0.001 0.000 0.238 151 D C -1.257 175.070 176.300 0.045 0.000 1.138 151 D CA -0.993 53.045 54.000 0.062 0.000 0.873 151 D CB 0.517 41.321 40.800 0.007 0.000 1.183 151 D HN 0.189 nan 8.370 nan 0.000 0.458 152 P HA -0.180 nan 4.420 nan 0.000 0.207 152 P C 0.639 177.952 177.300 0.021 0.000 0.926 152 P CA 1.681 64.802 63.100 0.036 0.000 0.982 152 P CB 0.060 31.779 31.700 0.032 0.000 0.686 153 A N -0.749 122.079 122.820 0.012 0.000 1.831 153 A HA -0.074 4.245 4.320 -0.001 0.000 0.213 153 A C 1.344 178.924 177.584 -0.006 0.000 1.223 153 A CA 0.392 52.432 52.037 0.004 0.000 0.604 153 A CB -1.187 17.814 19.000 0.003 0.000 0.878 153 A HN 0.129 nan 8.150 nan 0.000 0.450 154 R N 0.953 121.445 120.500 -0.013 0.000 2.526 154 R HA -0.028 4.311 4.340 -0.001 0.000 0.319 154 R C -2.055 174.219 176.300 -0.044 0.000 0.888 154 R CA -0.365 55.718 56.100 -0.028 0.000 1.127 154 R CB 0.175 30.456 30.300 -0.030 0.000 0.888 154 R HN 0.179 nan 8.270 nan 0.000 0.410 155 P HA -0.025 nan 4.420 nan 0.000 0.230 155 P C 0.836 178.066 177.300 -0.116 0.000 1.158 155 P CA 1.001 64.061 63.100 -0.067 0.000 0.769 155 P CB 0.234 31.903 31.700 -0.051 0.000 0.807 156 G N 0.539 109.272 108.800 -0.112 0.000 2.833 156 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.186 156 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.186 156 G C 0.495 175.242 174.900 -0.255 0.000 1.437 156 G CA 0.357 45.369 45.100 -0.147 0.000 0.813 156 G HN 0.269 nan 8.290 nan 0.000 0.663 157 R N -1.165 119.189 120.500 -0.243 0.000 2.832 157 R HA 0.507 4.847 4.340 -0.001 0.000 0.271 157 R C -0.804 175.355 176.300 -0.234 0.000 0.996 157 R CA -0.907 54.972 56.100 -0.367 0.000 0.977 157 R CB 0.982 31.164 30.300 -0.197 0.000 1.168 157 R HN 0.440 nan 8.270 nan 0.000 0.482 158 Y N 1.935 122.213 120.300 -0.036 0.000 2.298 158 Y HA 0.391 4.940 4.550 -0.001 0.000 0.329 158 Y C 0.551 176.432 175.900 -0.031 0.000 1.293 158 Y CA -1.266 56.827 58.100 -0.013 0.000 1.388 158 Y CB 0.160 38.626 38.460 0.010 0.000 1.309 158 Y HN 0.454 nan 8.280 nan 0.000 0.544 159 I N -0.552 120.141 120.570 0.205 0.000 2.603 159 I HA 0.965 5.134 4.170 -0.001 0.000 0.300 159 I C -0.488 175.756 176.117 0.212 0.000 1.017 159 I CA -1.418 59.967 61.300 0.142 0.000 1.098 159 I CB 2.038 40.114 38.000 0.127 0.000 1.279 159 I HN 0.702 nan 8.210 nan 0.000 0.437 160 A N 3.444 126.402 122.820 0.230 0.000 2.279 160 A HA 0.754 5.074 4.320 -0.001 0.000 0.303 160 A C -0.170 177.578 177.584 0.273 0.000 1.108 160 A CA -0.462 51.839 52.037 0.440 0.000 0.830 160 A CB 1.099 20.402 19.000 0.506 0.000 1.106 160 A HN 0.794 nan 8.150 nan 0.000 0.493 161 S N 0.427 116.258 115.700 0.218 0.000 2.614 161 S HA 0.576 5.046 4.470 -0.001 0.000 0.275 161 S C -1.190 173.386 174.600 -0.040 0.000 1.161 161 S CA -0.489 57.798 58.200 0.145 0.000 0.969 161 S CB 0.380 63.733 63.200 0.255 0.000 1.059 161 S HN 0.523 nan 8.310 nan 0.000 0.482 162 I N 5.259 125.757 120.570 -0.120 0.000 2.359 162 I HA 0.435 4.604 4.170 -0.001 0.000 0.284 162 I C -0.415 175.434 176.117 -0.446 0.000 1.018 162 I CA -0.701 60.435 61.300 -0.273 0.000 1.173 162 I CB 1.280 39.133 38.000 -0.245 0.000 1.326 162 I HN 0.585 nan 8.210 nan 0.000 0.462 163 I N 9.273 129.544 120.570 -0.499 0.000 2.307 163 I HA 0.564 4.734 4.170 -0.001 0.000 0.289 163 I C -2.756 173.016 176.117 -0.575 0.000 1.021 163 I CA -1.944 58.872 61.300 -0.807 0.000 1.224 163 I CB 1.109 38.795 38.000 -0.523 0.000 1.376 163 I HN 0.214 nan 8.210 nan 0.000 0.470 164 P HA 0.409 nan 4.420 nan 0.000 0.301 164 P C -1.452 175.682 177.300 -0.278 0.000 1.420 164 P CA -0.532 62.352 63.100 -0.359 0.000 1.006 164 P CB 1.628 33.175 31.700 -0.255 0.000 0.982 165 L N 6.232 127.335 121.223 -0.199 0.000 2.331 165 L HA 0.728 5.067 4.340 -0.001 0.000 0.275 165 L C -2.477 174.342 176.870 -0.084 0.000 1.022 165 L CA -2.612 52.194 54.840 -0.056 0.000 0.812 165 L CB 0.825 42.923 42.059 0.065 0.000 1.257 165 L HN 0.190 nan 8.230 nan 0.000 0.435 166 P HA -0.098 nan 4.420 nan 0.000 0.271 166 P C 0.081 177.419 177.300 0.064 0.000 1.197 166 P CA 0.292 63.400 63.100 0.014 0.000 0.777 166 P CB 0.400 32.092 31.700 -0.014 0.000 0.827 167 K N 2.444 122.903 120.400 0.099 0.000 1.987 167 K HA -0.174 4.145 4.320 -0.001 0.000 0.216 167 K C 0.401 177.080 176.600 0.132 0.000 1.051 167 K CA 1.355 57.731 56.287 0.148 0.000 0.942 167 K CB -0.135 32.428 32.500 0.106 0.000 0.722 167 K HN 0.302 nan 8.250 nan 0.000 0.444 168 R N 0.712 121.259 120.500 0.078 0.000 2.480 168 R HA 0.075 4.414 4.340 -0.001 0.000 0.303 168 R C -0.394 175.947 176.300 0.068 0.000 0.985 168 R CA 0.884 57.026 56.100 0.069 0.000 1.051 168 R CB 0.328 30.648 30.300 0.034 0.000 0.935 168 R HN 0.647 nan 8.270 nan 0.000 0.410 169 G N 4.751 113.615 108.800 0.106 0.000 2.661 169 G HA2 -0.056 3.903 3.960 -0.001 0.000 0.262 169 G HA3 -0.056 3.903 3.960 -0.001 0.000 0.262 169 G C -2.732 172.254 174.900 0.143 0.000 1.310 169 G CA -1.272 43.890 45.100 0.103 0.000 1.160 169 G HN 0.340 nan 8.290 nan 0.000 0.598 170 P HA 0.030 nan 4.420 nan 0.000 0.274 170 P C -0.250 177.156 177.300 0.178 0.000 1.209 170 P CA 0.236 63.426 63.100 0.151 0.000 0.790 170 P CB 0.459 32.185 31.700 0.043 0.000 0.834 171 W N 2.903 124.202 121.300 -0.001 0.000 2.591 171 W HA 0.341 5.001 4.660 -0.001 0.000 0.311 171 W C -1.526 174.992 176.519 -0.002 0.000 1.003 171 W CA -0.432 56.916 57.345 0.005 0.000 1.332 171 W CB 0.514 29.987 29.460 0.021 0.000 1.272 171 W HN 0.149 nan 8.180 nan 0.000 0.412 172 I N 4.791 125.440 120.570 0.132 0.000 2.677 172 I HA 0.338 4.507 4.170 -0.001 0.000 0.305 172 I C 0.155 176.362 176.117 0.150 0.000 0.988 172 I CA 0.228 61.587 61.300 0.098 0.000 1.260 172 I CB 0.994 38.970 38.000 -0.039 0.000 1.410 172 I HN 0.144 nan 8.210 nan 0.000 0.523 173 D N 5.668 126.147 120.400 0.133 0.000 2.966 173 D HA 0.363 5.003 4.640 -0.001 0.000 0.222 173 D C -1.092 175.275 176.300 0.111 0.000 1.292 173 D CA -0.306 53.779 54.000 0.142 0.000 0.907 173 D CB 2.060 42.953 40.800 0.155 0.000 1.621 173 D HN 0.250 nan 8.370 nan 0.000 0.557 174 L N 1.769 123.059 121.223 0.112 0.000 2.294 174 L HA 0.359 4.699 4.340 -0.001 0.000 0.283 174 L C -0.073 176.842 176.870 0.075 0.000 1.015 174 L CA -0.359 54.534 54.840 0.089 0.000 0.831 174 L CB 1.542 43.655 42.059 0.090 0.000 1.217 174 L HN 0.411 nan 8.230 nan 0.000 0.420 175 E N 3.990 124.225 120.200 0.058 0.000 2.246 175 E HA 0.497 4.846 4.350 -0.001 0.000 0.266 175 E C -1.398 175.215 176.600 0.021 0.000 0.880 175 E CA -0.806 55.619 56.400 0.041 0.000 0.762 175 E CB 2.318 32.047 29.700 0.049 0.000 1.180 175 E HN 0.330 nan 8.360 nan 0.000 0.416 176 V N 1.861 121.778 119.914 0.005 0.000 2.347 176 V HA 0.519 4.638 4.120 -0.001 0.000 0.280 176 V C -0.088 175.994 176.094 -0.021 0.000 1.021 176 V CA -0.615 61.678 62.300 -0.011 0.000 0.847 176 V CB 1.397 33.203 31.823 -0.030 0.000 0.990 176 V HN 0.772 nan 8.190 nan 0.000 0.444 177 E N 5.106 125.295 120.200 -0.017 0.000 3.406 177 E HA 0.341 4.690 4.350 -0.001 0.000 0.210 177 E C -2.032 174.555 176.600 -0.022 0.000 1.167 177 E CA -1.730 54.658 56.400 -0.020 0.000 1.132 177 E CB 1.740 31.433 29.700 -0.011 0.000 1.309 177 E HN 0.586 nan 8.360 nan 0.000 0.424 178 P HA -0.202 nan 4.420 nan 0.000 0.221 178 P C 1.072 178.358 177.300 -0.024 0.000 1.142 178 P CA 0.829 63.910 63.100 -0.033 0.000 0.804 178 P CB 0.212 31.884 31.700 -0.047 0.000 0.756 179 N N -1.285 117.404 118.700 -0.019 0.000 2.519 179 N HA -0.078 4.661 4.740 -0.001 0.000 0.186 179 N C 1.315 176.821 175.510 -0.007 0.000 1.062 179 N CA 1.651 54.693 53.050 -0.013 0.000 0.910 179 N CB -0.150 38.331 38.487 -0.010 0.000 0.958 179 N HN 0.233 nan 8.380 nan 0.000 0.445 180 G N -1.864 106.932 108.800 -0.007 0.000 4.511 180 G HA2 0.103 4.062 3.960 -0.001 0.000 0.220 180 G HA3 0.103 4.062 3.960 -0.001 0.000 0.220 180 G C -0.683 174.215 174.900 -0.004 0.000 0.733 180 G CA -0.006 45.093 45.100 -0.001 0.000 0.897 180 G HN 0.101 nan 8.290 nan 0.000 0.691 181 V N 0.239 120.147 119.914 -0.010 0.000 3.159 181 V HA 0.827 4.946 4.120 -0.001 0.000 0.308 181 V C -0.454 175.629 176.094 -0.018 0.000 1.190 181 V CA -0.917 61.374 62.300 -0.015 0.000 1.037 181 V CB 2.169 33.987 31.823 -0.010 0.000 1.060 181 V HN 0.168 nan 8.190 nan 0.000 0.437 182 V N 0.783 120.680 119.914 -0.028 0.000 2.914 182 V HA 0.813 4.932 4.120 -0.001 0.000 0.314 182 V C -0.271 175.808 176.094 -0.024 0.000 1.084 182 V CA -0.554 61.731 62.300 -0.024 0.000 0.963 182 V CB 2.015 33.820 31.823 -0.031 0.000 1.025 182 V HN 0.956 nan 8.190 nan 0.000 0.432 183 S N 4.193 119.894 115.700 0.001 0.000 2.756 183 S HA 0.634 5.104 4.470 -0.001 0.000 0.303 183 S C -0.942 173.690 174.600 0.053 0.000 1.135 183 S CA -0.536 57.679 58.200 0.025 0.000 1.066 183 S CB 0.797 64.018 63.200 0.034 0.000 1.008 183 S HN 0.771 nan 8.310 nan 0.000 0.482 184 M N 4.932 124.579 119.600 0.079 0.000 2.078 184 M HA 0.470 4.949 4.480 -0.001 0.000 0.320 184 M C -1.427 174.991 176.300 0.196 0.000 0.969 184 M CA -0.399 54.987 55.300 0.142 0.000 0.929 184 M CB 0.880 33.592 32.600 0.186 0.000 1.504 184 M HN 0.588 nan 8.290 nan 0.000 0.419 185 K N 3.848 124.334 120.400 0.143 0.000 2.307 185 K HA 0.362 4.681 4.320 -0.001 0.000 0.263 185 K C 0.672 177.335 176.600 0.106 0.000 0.973 185 K CA -0.671 55.688 56.287 0.119 0.000 0.846 185 K CB 1.881 34.437 32.500 0.093 0.000 1.100 185 K HN 0.567 nan 8.250 nan 0.000 0.438 186 V N 0.196 120.148 119.914 0.063 0.000 2.365 186 V HA -0.039 4.080 4.120 -0.001 0.000 0.232 186 V C 1.394 177.518 176.094 0.051 0.000 1.065 186 V CA 0.807 63.121 62.300 0.022 0.000 1.054 186 V CB -0.390 31.370 31.823 -0.104 0.000 0.685 186 V HN 0.777 nan 8.190 nan 0.000 0.480 187 N N -1.055 117.656 118.700 0.017 0.000 2.415 187 N HA 0.123 4.862 4.740 -0.001 0.000 0.174 187 N C 1.260 176.783 175.510 0.023 0.000 1.048 187 N CA 1.023 54.093 53.050 0.034 0.000 0.895 187 N CB 0.928 39.428 38.487 0.021 0.000 1.036 187 N HN 0.611 nan 8.380 nan 0.000 0.449 188 K N -0.977 119.436 120.400 0.021 0.000 3.009 188 K HA 0.115 4.434 4.320 -0.001 0.000 0.281 188 K C -0.606 176.013 176.600 0.032 0.000 2.670 188 K CA -0.540 55.760 56.287 0.021 0.000 1.497 188 K CB 0.364 32.870 32.500 0.009 0.000 2.907 188 K HN -0.199 nan 8.250 nan 0.000 0.366 189 R N 3.256 123.772 120.500 0.026 0.000 2.522 189 R HA 0.055 4.395 4.340 -0.001 0.000 0.284 189 R C -1.055 175.287 176.300 0.070 0.000 1.032 189 R CA 0.497 56.620 56.100 0.039 0.000 1.049 189 R CB 0.231 30.548 30.300 0.028 0.000 0.956 189 R HN 0.014 nan 8.270 nan 0.000 0.422 190 K N 4.149 124.601 120.400 0.088 0.000 2.138 190 K HA 0.369 4.689 4.320 -0.001 0.000 0.251 190 K C -0.267 176.454 176.600 0.202 0.000 1.015 190 K CA -0.008 56.360 56.287 0.135 0.000 0.917 190 K CB 0.281 32.830 32.500 0.082 0.000 1.021 190 K HN 0.548 nan 8.250 nan 0.000 0.485 191 F N -1.740 118.200 119.950 -0.017 0.000 2.745 191 F HA 0.630 5.156 4.527 -0.001 0.000 0.316 191 F C -3.034 172.747 175.800 -0.032 0.000 1.155 191 F CA -2.886 55.090 58.000 -0.042 0.000 0.937 191 F CB 0.662 39.628 39.000 -0.057 0.000 1.361 191 F HN 0.293 nan 8.300 nan 0.000 0.472 192 P HA 0.208 nan 4.420 nan 0.000 0.269 192 P C 0.186 176.744 177.300 -1.236 0.000 1.209 192 P CA -0.073 62.555 63.100 -0.787 0.000 0.776 192 P CB 0.678 32.087 31.700 -0.484 0.000 0.876 193 L N 2.691 123.579 121.223 -0.558 0.000 2.446 193 L HA -0.050 4.289 4.340 -0.001 0.000 0.219 193 L C 1.815 178.571 176.870 -0.190 0.000 1.116 193 L CA 1.204 55.854 54.840 -0.317 0.000 0.844 193 L CB -0.646 41.356 42.059 -0.094 0.000 0.970 193 L HN 0.203 nan 8.230 nan 0.000 0.457 194 V N -1.715 118.085 119.914 -0.191 0.000 2.825 194 V HA -0.052 4.067 4.120 -0.001 0.000 0.246 194 V C 2.208 178.283 176.094 -0.032 0.000 1.068 194 V CA 0.502 62.761 62.300 -0.068 0.000 1.088 194 V CB -0.499 31.306 31.823 -0.030 0.000 0.733 194 V HN 0.332 nan 8.190 nan 0.000 0.468 195 L N 0.368 121.536 121.223 -0.090 0.000 2.127 195 L HA -0.118 4.221 4.340 -0.001 0.000 0.211 195 L C 2.063 179.027 176.870 0.158 0.000 1.089 195 L CA 1.912 56.788 54.840 0.061 0.000 0.757 195 L CB -0.602 41.532 42.059 0.125 0.000 0.899 195 L HN 0.298 nan 8.230 nan 0.000 0.434 196 L N -1.516 119.801 121.223 0.156 0.000 2.102 196 L HA -0.045 4.295 4.340 -0.001 0.000 0.202 196 L C 2.331 179.215 176.870 0.024 0.000 1.076 196 L CA 1.094 55.995 54.840 0.101 0.000 0.761 196 L CB -0.211 41.880 42.059 0.054 0.000 0.921 196 L HN 0.249 nan 8.230 nan 0.000 0.444 197 L N -0.647 120.613 121.223 0.062 0.000 2.079 197 L HA -0.204 4.135 4.340 -0.001 0.000 0.210 197 L C 2.748 179.748 176.870 0.217 0.000 1.081 197 L CA 0.962 55.924 54.840 0.204 0.000 0.752 197 L CB -0.713 41.447 42.059 0.170 0.000 0.896 197 L HN 0.229 nan 8.230 nan 0.000 0.433 198 R N -0.281 120.303 120.500 0.139 0.000 2.096 198 R HA -0.092 4.248 4.340 -0.001 0.000 0.235 198 R C 2.264 178.623 176.300 0.098 0.000 1.127 198 R CA 1.047 57.217 56.100 0.117 0.000 0.968 198 R CB -0.705 29.660 30.300 0.109 0.000 0.861 198 R HN 0.259 nan 8.270 nan 0.000 0.440 199 V N 1.564 121.541 119.914 0.104 0.000 2.343 199 V HA -0.219 3.900 4.120 -0.001 0.000 0.247 199 V C 2.331 178.499 176.094 0.122 0.000 1.051 199 V CA 1.631 63.999 62.300 0.114 0.000 1.036 199 V CB -0.335 31.549 31.823 0.102 0.000 0.654 199 V HN 0.197 nan 8.190 nan 0.000 0.451 200 L N -0.383 120.901 121.223 0.103 0.000 2.240 200 L HA 0.258 4.598 4.340 -0.001 0.000 0.211 200 L C 1.813 178.645 176.870 -0.062 0.000 1.106 200 L CA 1.350 56.240 54.840 0.083 0.000 0.793 200 L CB -0.259 41.861 42.059 0.101 0.000 0.927 200 L HN 0.508 nan 8.230 nan 0.000 0.446 201 G N -2.797 105.948 108.800 -0.092 0.000 2.902 201 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.215 201 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.215 201 G C -0.314 174.466 174.900 -0.200 0.000 0.976 201 G CA -0.743 44.253 45.100 -0.174 0.000 0.794 201 G HN 0.042 nan 8.290 nan 0.000 0.557 202 Y N 3.252 123.573 120.300 0.034 0.000 2.480 202 Y HA 0.455 5.004 4.550 -0.001 0.000 0.341 202 Y C 0.395 176.308 175.900 0.022 0.000 1.031 202 Y CA -0.631 57.483 58.100 0.025 0.000 1.295 202 Y CB 0.369 38.841 38.460 0.020 0.000 1.162 202 Y HN 0.207 nan 8.280 nan 0.000 0.523 203 D N 1.381 121.876 120.400 0.158 0.000 2.253 203 D HA 0.127 4.766 4.640 -0.001 0.000 0.249 203 D C 0.791 177.148 176.300 0.095 0.000 1.049 203 D CA -0.653 53.409 54.000 0.103 0.000 0.929 203 D CB 0.870 41.709 40.800 0.066 0.000 1.176 203 D HN 0.375 nan 8.370 nan 0.000 0.437 204 Q N 1.352 121.194 119.800 0.071 0.000 2.096 204 Q HA -0.257 4.082 4.340 -0.001 0.000 0.208 204 Q C 1.642 177.667 176.000 0.042 0.000 0.993 204 Q CA 1.972 57.807 55.803 0.053 0.000 0.862 204 Q CB -0.483 28.285 28.738 0.050 0.000 0.915 204 Q HN 0.715 nan 8.270 nan 0.000 0.416 205 E N 0.653 120.878 120.200 0.041 0.000 2.001 205 E HA -0.143 4.207 4.350 -0.001 0.000 0.195 205 E C 2.074 178.694 176.600 0.033 0.000 1.002 205 E CA 1.779 58.198 56.400 0.032 0.000 0.819 205 E CB -1.124 28.594 29.700 0.030 0.000 0.769 205 E HN 0.224 nan 8.360 nan 0.000 0.454 206 T N 0.197 114.779 114.554 0.048 0.000 2.635 206 T HA -0.172 4.177 4.350 -0.001 0.000 0.267 206 T C 1.751 176.482 174.700 0.051 0.000 1.040 206 T CA 1.604 63.739 62.100 0.057 0.000 1.156 206 T CB -0.456 68.461 68.868 0.082 0.000 0.863 206 T HN 0.256 nan 8.240 nan 0.000 0.430 207 L N 0.348 121.611 121.223 0.066 0.000 1.971 207 L HA -0.158 4.181 4.340 -0.001 0.000 0.215 207 L C 2.850 179.682 176.870 -0.065 0.000 1.072 207 L CA 2.152 56.993 54.840 0.002 0.000 0.758 207 L CB -0.919 41.148 42.059 0.013 0.000 0.889 207 L HN 0.440 nan 8.230 nan 0.000 0.433 208 A N -0.258 122.542 122.820 -0.033 0.000 1.877 208 A HA -0.263 4.057 4.320 -0.001 0.000 0.216 208 A C 2.255 179.810 177.584 -0.048 0.000 1.186 208 A CA 1.902 53.918 52.037 -0.034 0.000 0.620 208 A CB -0.570 18.432 19.000 0.002 0.000 0.822 208 A HN 0.455 nan 8.150 nan 0.000 0.443 209 R N -0.723 119.761 120.500 -0.027 0.000 2.148 209 R HA -0.059 4.280 4.340 -0.001 0.000 0.227 209 R C 1.995 178.274 176.300 -0.035 0.000 1.103 209 R CA 1.583 57.669 56.100 -0.024 0.000 0.983 209 R CB -0.100 30.200 30.300 -0.001 0.000 0.874 209 R HN 0.680 nan 8.270 nan 0.000 0.451 210 E N -0.414 119.765 120.200 -0.035 0.000 2.099 210 E HA -0.082 4.268 4.350 -0.001 0.000 0.191 210 E C 1.448 178.009 176.600 -0.064 0.000 0.962 210 E CA 0.473 56.862 56.400 -0.019 0.000 0.826 210 E CB 0.043 29.750 29.700 0.011 0.000 0.788 210 E HN 0.080 nan 8.360 nan 0.000 0.461 211 L N -0.652 120.480 121.223 -0.151 0.000 2.313 211 L HA 0.202 4.541 4.340 -0.001 0.000 0.214 211 L C 1.437 177.978 176.870 -0.548 0.000 1.119 211 L CA 1.685 56.362 54.840 -0.273 0.000 0.809 211 L CB 0.084 41.904 42.059 -0.398 0.000 0.933 211 L HN 0.090 nan 8.230 nan 0.000 0.449 212 G N -1.899 106.674 108.800 -0.377 0.000 3.735 212 G HA2 0.345 4.304 3.960 -0.001 0.000 0.283 212 G HA3 0.345 4.304 3.960 -0.001 0.000 0.283 212 G C 1.234 175.953 174.900 -0.301 0.000 1.007 212 G CA 0.332 45.217 45.100 -0.359 0.000 0.821 212 G HN 0.475 nan 8.290 nan 0.000 0.505 213 A N 0.904 123.578 122.820 -0.243 0.000 1.933 213 A HA -0.041 4.279 4.320 -0.001 0.000 0.218 213 A C 2.087 179.657 177.584 -0.023 0.000 1.175 213 A CA 1.872 53.863 52.037 -0.076 0.000 0.628 213 A CB -0.563 18.441 19.000 0.007 0.000 0.814 213 A HN 0.730 nan 8.150 nan 0.000 0.444 214 Y N -1.407 118.924 120.300 0.052 0.000 2.365 214 Y HA 0.447 4.997 4.550 -0.001 0.000 0.293 214 Y C 1.114 177.038 175.900 0.041 0.000 1.119 214 Y CA -0.291 57.833 58.100 0.040 0.000 1.203 214 Y CB -0.994 37.487 38.460 0.036 0.000 1.026 214 Y HN 0.211 nan 8.280 nan 0.000 0.549 215 G N -0.017 108.713 108.800 -0.115 0.000 3.013 215 G HA2 0.383 4.343 3.960 -0.001 0.000 0.278 215 G HA3 0.383 4.343 3.960 -0.001 0.000 0.278 215 G C -0.312 174.531 174.900 -0.095 0.000 1.353 215 G CA -0.075 45.019 45.100 -0.009 0.000 1.043 215 G HN 0.153 nan 8.290 nan 0.000 0.523 216 E N -0.478 119.637 120.200 -0.141 0.000 2.465 216 E HA 0.007 4.356 4.350 -0.001 0.000 0.209 216 E C 1.991 178.466 176.600 -0.209 0.000 0.951 216 E CA 0.013 56.334 56.400 -0.131 0.000 0.997 216 E CB -0.029 29.610 29.700 -0.101 0.000 1.025 216 E HN 0.477 nan 8.360 nan 0.000 0.500 217 L N 0.896 121.823 121.223 -0.494 0.000 2.450 217 L HA -0.075 4.265 4.340 -0.001 0.000 0.225 217 L C 2.430 179.161 176.870 -0.232 0.000 1.145 217 L CA 0.486 54.922 54.840 -0.675 0.000 0.801 217 L CB -0.856 40.273 42.059 -1.549 0.000 0.924 217 L HN -0.059 nan 8.230 nan 0.000 0.447 218 V N 0.244 120.225 119.914 0.112 0.000 2.828 218 V HA -0.288 3.831 4.120 -0.001 0.000 0.260 218 V C 2.379 178.550 176.094 0.128 0.000 1.101 218 V CA 1.668 64.164 62.300 0.327 0.000 1.123 218 V CB -0.336 31.613 31.823 0.210 0.000 0.704 218 V HN 0.557 nan 8.190 nan 0.000 0.493 219 Q N -0.550 119.275 119.800 0.041 0.000 2.378 219 Q HA 0.020 4.359 4.340 -0.001 0.000 0.205 219 Q C 2.167 178.180 176.000 0.023 0.000 0.954 219 Q CA 1.121 56.936 55.803 0.018 0.000 0.901 219 Q CB -0.246 28.485 28.738 -0.011 0.000 0.981 219 Q HN 0.653 nan 8.270 nan 0.000 0.483 220 G N 0.097 108.915 108.800 0.030 0.000 2.777 220 G HA2 -0.052 3.907 3.960 -0.001 0.000 0.211 220 G HA3 -0.052 3.907 3.960 -0.001 0.000 0.211 220 G C 1.276 176.200 174.900 0.041 0.000 1.149 220 G CA 0.420 45.536 45.100 0.025 0.000 0.785 220 G HN 0.354 nan 8.290 nan 0.000 0.536 221 L N -1.068 120.198 121.223 0.072 0.000 2.102 221 L HA 0.348 4.688 4.340 -0.001 0.000 0.202 221 L C 2.368 179.262 176.870 0.041 0.000 1.076 221 L CA 1.509 56.382 54.840 0.054 0.000 0.761 221 L CB -0.537 41.561 42.059 0.065 0.000 0.921 221 L HN 0.107 nan 8.230 nan 0.000 0.444 222 M N -0.039 119.588 119.600 0.046 0.000 2.595 222 M HA 0.021 4.501 4.480 -0.001 0.000 0.248 222 M C 1.440 177.770 176.300 0.049 0.000 1.119 222 M CA 0.785 56.112 55.300 0.045 0.000 1.079 222 M CB -0.681 31.942 32.600 0.038 0.000 1.472 222 M HN 0.419 nan 8.290 nan 0.000 0.501 223 D N 2.301 122.729 120.400 0.046 0.000 2.327 223 D HA -0.208 4.431 4.640 -0.001 0.000 0.205 223 D C 0.483 176.831 176.300 0.079 0.000 1.036 223 D CA 1.492 55.522 54.000 0.049 0.000 0.897 223 D CB 0.016 40.838 40.800 0.037 0.000 1.117 223 D HN 0.327 nan 8.370 nan 0.000 0.471 224 E N 0.427 120.695 120.200 0.114 0.000 2.053 224 E HA 0.039 4.389 4.350 -0.001 0.000 0.297 224 E C 0.717 177.456 176.600 0.232 0.000 1.173 224 E CA -0.160 56.375 56.400 0.225 0.000 1.219 224 E CB 0.247 30.145 29.700 0.331 0.000 1.103 224 E HN 0.180 nan 8.360 nan 0.000 0.476 225 S N 0.870 116.643 115.700 0.122 0.000 2.419 225 S HA -0.142 4.328 4.470 -0.001 0.000 0.233 225 S C 1.938 176.566 174.600 0.046 0.000 1.016 225 S CA 0.628 58.875 58.200 0.079 0.000 0.974 225 S CB 0.045 63.270 63.200 0.041 0.000 0.786 225 S HN 0.497 nan 8.310 nan 0.000 0.492 226 V N 0.886 120.785 119.914 -0.025 0.000 2.324 226 V HA -0.192 3.927 4.120 -0.001 0.000 0.250 226 V C 1.490 177.436 176.094 -0.245 0.000 1.060 226 V CA 1.994 64.169 62.300 -0.209 0.000 1.042 226 V CB -0.545 31.025 31.823 -0.421 0.000 0.650 226 V HN 0.597 nan 8.190 nan 0.000 0.450 227 F N 0.453 120.422 119.950 0.031 0.000 2.743 227 F HA 0.439 4.965 4.527 -0.001 0.000 0.297 227 F C 2.183 178.008 175.800 0.042 0.000 1.131 227 F CA 0.719 58.743 58.000 0.041 0.000 1.426 227 F CB -0.717 38.313 39.000 0.051 0.000 1.116 227 F HN 0.219 nan 8.300 nan 0.000 0.583 228 A N -0.513 122.435 122.820 0.214 0.000 2.218 228 A HA 0.105 4.425 4.320 -0.001 0.000 0.209 228 A C 1.957 179.595 177.584 0.090 0.000 1.168 228 A CA 0.488 52.609 52.037 0.140 0.000 0.804 228 A CB -0.406 18.665 19.000 0.118 0.000 0.834 228 A HN 0.223 nan 8.150 nan 0.000 0.482 229 M N -0.038 119.601 119.600 0.065 0.000 2.495 229 M HA 0.129 4.608 4.480 -0.001 0.000 0.237 229 M C -0.286 176.037 176.300 0.038 0.000 1.131 229 M CA 0.591 55.914 55.300 0.038 0.000 1.032 229 M CB -0.115 32.493 32.600 0.013 0.000 1.513 229 M HN 0.248 nan 8.290 nan 0.000 0.488 230 R N -0.279 120.256 120.500 0.058 0.000 2.467 230 R HA 0.317 4.657 4.340 -0.001 0.000 0.299 230 R C -2.399 173.947 176.300 0.076 0.000 1.120 230 R CA -1.451 54.683 56.100 0.057 0.000 0.940 230 R CB 1.005 31.336 30.300 0.053 0.000 1.161 230 R HN -0.077 nan 8.270 nan 0.000 0.506 231 P HA -0.184 nan 4.420 nan 0.000 0.201 231 P C 0.847 178.191 177.300 0.073 0.000 0.995 231 P CA 0.650 63.787 63.100 0.061 0.000 0.866 231 P CB 0.270 31.991 31.700 0.036 0.000 0.652 232 E N -0.737 119.496 120.200 0.056 0.000 2.273 232 E HA -0.249 4.101 4.350 -0.001 0.000 0.198 232 E C 1.974 178.623 176.600 0.081 0.000 1.002 232 E CA 0.746 57.184 56.400 0.064 0.000 0.828 232 E CB -0.201 29.519 29.700 0.032 0.000 0.747 232 E HN 0.213 nan 8.360 nan 0.000 0.491 233 E N -0.295 119.951 120.200 0.077 0.000 2.208 233 E HA -0.089 4.261 4.350 -0.001 0.000 0.193 233 E C 1.728 178.402 176.600 0.123 0.000 0.988 233 E CA 0.725 57.177 56.400 0.086 0.000 0.828 233 E CB 0.075 29.818 29.700 0.073 0.000 0.763 233 E HN 0.268 nan 8.360 nan 0.000 0.478 234 A N 0.783 123.684 122.820 0.134 0.000 2.121 234 A HA -0.063 4.256 4.320 -0.001 0.000 0.218 234 A C 2.177 179.855 177.584 0.156 0.000 1.154 234 A CA 0.450 52.581 52.037 0.156 0.000 0.679 234 A CB -0.346 18.745 19.000 0.151 0.000 0.795 234 A HN 0.266 nan 8.150 nan 0.000 0.458 235 L N -1.146 120.178 121.223 0.169 0.000 2.131 235 L HA -0.061 4.279 4.340 -0.001 0.000 0.206 235 L C 2.085 179.162 176.870 0.344 0.000 1.087 235 L CA 0.890 55.867 54.840 0.227 0.000 0.767 235 L CB -0.149 42.064 42.059 0.256 0.000 0.917 235 L HN 0.338 nan 8.230 nan 0.000 0.441 236 I N -0.540 120.173 120.570 0.239 0.000 2.406 236 I HA -0.197 3.973 4.170 -0.001 0.000 0.249 236 I C 2.564 178.811 176.117 0.216 0.000 1.122 236 I CA 0.986 62.408 61.300 0.203 0.000 1.431 236 I CB -0.380 37.668 38.000 0.079 0.000 1.087 236 I HN 0.075 nan 8.210 nan 0.000 0.424 237 R N 0.394 121.001 120.500 0.177 0.000 2.091 237 R HA -0.139 4.200 4.340 -0.001 0.000 0.238 237 R C 2.272 178.648 176.300 0.127 0.000 1.136 237 R CA 1.523 57.720 56.100 0.162 0.000 0.959 237 R CB -0.381 30.033 30.300 0.190 0.000 0.856 237 R HN 0.277 nan 8.270 nan 0.000 0.437 238 L N -0.879 120.404 121.223 0.100 0.000 2.056 238 L HA -0.123 4.217 4.340 -0.001 0.000 0.207 238 L C 1.879 178.710 176.870 -0.065 0.000 1.078 238 L CA 1.021 55.838 54.840 -0.039 0.000 0.749 238 L CB -0.249 41.731 42.059 -0.131 0.000 0.901 238 L HN 0.201 nan 8.230 nan 0.000 0.433 239 F N 0.175 120.096 119.950 -0.049 0.000 2.154 239 F HA -0.302 4.224 4.527 -0.001 0.000 0.301 239 F C 2.544 178.328 175.800 -0.026 0.000 1.087 239 F CA 2.092 60.069 58.000 -0.038 0.000 1.274 239 F CB -0.684 38.308 39.000 -0.014 0.000 1.009 239 F HN 0.098 nan 8.300 nan 0.000 0.485 240 T N 0.208 114.875 114.554 0.188 0.000 2.777 240 T HA -0.201 4.148 4.350 -0.001 0.000 0.266 240 T C 2.174 176.909 174.700 0.059 0.000 1.040 240 T CA 1.157 63.325 62.100 0.114 0.000 1.141 240 T CB -0.635 68.297 68.868 0.107 0.000 0.868 240 T HN 0.268 nan 8.240 nan 0.000 0.444 241 L N 0.310 121.546 121.223 0.021 0.000 2.079 241 L HA 0.055 4.394 4.340 -0.001 0.000 0.210 241 L C 0.835 177.679 176.870 -0.044 0.000 1.081 241 L CA 0.938 55.767 54.840 -0.018 0.000 0.752 241 L CB -0.343 41.680 42.059 -0.061 0.000 0.896 241 L HN 0.233 nan 8.230 nan 0.000 0.433 242 L N 0.405 121.584 121.223 -0.074 0.000 2.479 242 L HA 0.049 4.389 4.340 -0.001 0.000 0.270 242 L C 0.067 176.933 176.870 -0.007 0.000 1.236 242 L CA 0.190 54.991 54.840 -0.064 0.000 0.823 242 L CB 0.190 42.196 42.059 -0.088 0.000 1.098 242 L HN 0.292 nan 8.230 nan 0.000 0.500 243 R N 0.967 121.468 120.500 0.002 0.000 2.510 243 R HA 0.563 4.903 4.340 -0.001 0.000 0.294 243 R C -2.615 173.700 176.300 0.024 0.000 1.056 243 R CA -1.051 55.061 56.100 0.019 0.000 0.918 243 R CB 1.058 31.366 30.300 0.015 0.000 1.187 243 R HN 0.402 nan 8.270 nan 0.000 0.437 244 P HA 0.270 nan 4.420 nan 0.000 0.534 244 P C -0.368 176.952 177.300 0.034 0.000 0.922 244 P CA 0.453 63.574 63.100 0.034 0.000 2.497 244 P CB 1.254 32.979 31.700 0.042 0.000 1.145 245 G N 1.156 109.980 108.800 0.040 0.000 2.919 245 G HA2 -0.041 3.918 3.960 -0.001 0.000 0.225 245 G HA3 -0.041 3.918 3.960 -0.001 0.000 0.225 245 G C -1.029 173.892 174.900 0.036 0.000 1.117 245 G CA -0.463 44.658 45.100 0.036 0.000 1.033 245 G HN 0.204 nan 8.290 nan 0.000 0.532 246 D N 0.286 120.714 120.400 0.048 0.000 2.326 246 D HA 0.574 5.213 4.640 -0.001 0.000 0.248 246 D C -1.969 174.341 176.300 0.016 0.000 1.001 246 D CA -1.308 52.717 54.000 0.042 0.000 0.961 246 D CB 0.908 41.755 40.800 0.078 0.000 1.183 246 D HN 0.102 nan 8.370 nan 0.000 0.502 247 P HA 0.112 nan 4.420 nan 0.000 0.264 247 P C -1.860 175.384 177.300 -0.094 0.000 1.193 247 P CA -0.644 62.429 63.100 -0.046 0.000 0.763 247 P CB 0.182 31.850 31.700 -0.054 0.000 0.810 248 P HA -0.094 nan 4.420 nan 0.000 0.220 248 P C 0.150 177.321 177.300 -0.215 0.000 1.148 248 P CA 1.175 64.210 63.100 -0.108 0.000 0.803 248 P CB 0.289 31.960 31.700 -0.048 0.000 0.782 249 K N 0.854 121.147 120.400 -0.180 0.000 2.262 249 K HA 0.296 4.615 4.320 -0.001 0.000 0.282 249 K C -0.314 176.141 176.600 -0.241 0.000 1.066 249 K CA -0.369 55.802 56.287 -0.193 0.000 0.901 249 K CB 0.310 32.746 32.500 -0.107 0.000 1.089 249 K HN -0.170 nan 8.250 nan 0.000 0.476 250 R N 4.295 124.588 120.500 -0.344 0.000 3.189 250 R HA 0.006 4.346 4.340 -0.001 0.000 0.222 250 R C -0.272 175.854 176.300 -0.291 0.000 1.735 250 R CA -0.425 55.473 56.100 -0.336 0.000 1.129 250 R CB 0.460 30.471 30.300 -0.481 0.000 1.549 250 R HN 0.861 nan 8.270 nan 0.000 0.525 251 D N 2.079 122.389 120.400 -0.150 0.000 2.549 251 D HA -0.242 4.398 4.640 -0.001 0.000 0.199 251 D C 0.245 176.527 176.300 -0.029 0.000 1.034 251 D CA 2.018 55.971 54.000 -0.079 0.000 0.880 251 D CB 0.356 41.127 40.800 -0.048 0.000 1.044 251 D HN 0.420 nan 8.370 nan 0.000 0.469 252 K N -1.128 119.213 120.400 -0.099 0.000 2.895 252 K HA 0.511 4.831 4.320 -0.001 0.000 0.200 252 K C 0.652 176.840 176.600 -0.688 0.000 1.133 252 K CA 0.016 56.222 56.287 -0.135 0.000 1.060 252 K CB 1.367 33.789 32.500 -0.131 0.000 0.735 252 K HN 0.022 nan 8.250 nan 0.000 0.451 253 A N 0.997 123.652 122.820 -0.276 0.000 1.819 253 A HA -0.062 4.257 4.320 -0.001 0.000 0.215 253 A C 1.988 179.589 177.584 0.029 0.000 1.226 253 A CA 1.461 53.432 52.037 -0.110 0.000 0.608 253 A CB -0.669 18.367 19.000 0.061 0.000 0.877 253 A HN 0.065 nan 8.150 nan 0.000 0.452 254 V N 0.182 120.231 119.914 0.226 0.000 2.809 254 V HA -0.097 4.022 4.120 -0.001 0.000 0.256 254 V C 2.814 178.839 176.094 -0.114 0.000 1.080 254 V CA 1.429 63.756 62.300 0.045 0.000 1.102 254 V CB -1.237 30.588 31.823 0.004 0.000 0.705 254 V HN 0.615 nan 8.190 nan 0.000 0.475 255 A N -1.068 121.649 122.820 -0.171 0.000 2.125 255 A HA -0.162 4.158 4.320 -0.001 0.000 0.219 255 A C 1.996 179.319 177.584 -0.435 0.000 1.156 255 A CA 1.233 52.988 52.037 -0.470 0.000 0.671 255 A CB -0.558 17.900 19.000 -0.902 0.000 0.794 255 A HN 0.528 nan 8.150 nan 0.000 0.459 256 Y N -0.090 120.094 120.300 -0.194 0.000 2.184 256 Y HA -0.127 4.423 4.550 -0.001 0.000 0.290 256 Y C 2.637 178.421 175.900 -0.193 0.000 1.129 256 Y CA 0.892 58.938 58.100 -0.091 0.000 1.144 256 Y CB -0.991 37.490 38.460 0.035 0.000 0.995 256 Y HN 0.123 nan 8.280 nan 0.000 0.513 257 V N -1.444 118.405 119.914 -0.109 0.000 2.332 257 V HA -0.306 3.813 4.120 -0.001 0.000 0.248 257 V C 1.247 176.982 176.094 -0.597 0.000 1.055 257 V CA 1.759 63.819 62.300 -0.400 0.000 1.038 257 V CB -1.137 30.325 31.823 -0.601 0.000 0.651 257 V HN 0.386 nan 8.190 nan 0.000 0.450 258 Y N 0.509 120.768 120.300 -0.069 0.000 2.583 258 Y HA 0.492 5.042 4.550 -0.001 0.000 0.294 258 Y C 1.707 177.579 175.900 -0.047 0.000 1.170 258 Y CA 0.107 58.173 58.100 -0.057 0.000 1.265 258 Y CB 0.026 38.443 38.460 -0.072 0.000 1.119 258 Y HN 0.220 nan 8.280 nan 0.000 0.522 259 G N 0.199 108.990 108.800 -0.015 0.000 2.601 259 G HA2 0.123 4.082 3.960 -0.001 0.000 0.214 259 G HA3 0.123 4.082 3.960 -0.001 0.000 0.214 259 G C 0.905 175.808 174.900 0.005 0.000 2.067 259 G CA 0.422 45.531 45.100 0.015 0.000 0.774 259 G HN 0.213 nan 8.290 nan 0.000 0.729 260 L N -0.771 120.419 121.223 -0.055 0.000 2.467 260 L HA 0.419 4.759 4.340 -0.001 0.000 0.213 260 L C 2.144 178.924 176.870 -0.150 0.000 1.053 260 L CA 0.670 55.441 54.840 -0.114 0.000 0.847 260 L CB -0.758 41.159 42.059 -0.236 0.000 1.075 260 L HN 0.321 nan 8.230 nan 0.000 0.479 261 I N 0.438 120.898 120.570 -0.185 0.000 2.731 261 I HA 0.476 4.645 4.170 -0.001 0.000 0.235 261 I C 2.405 178.450 176.117 -0.119 0.000 1.064 261 I CA 1.059 62.259 61.300 -0.167 0.000 1.439 261 I CB -1.720 36.165 38.000 -0.192 0.000 1.255 261 I HN 0.117 nan 8.210 nan 0.000 0.446 262 A N 0.998 123.745 122.820 -0.122 0.000 1.991 262 A HA -0.018 4.301 4.320 -0.001 0.000 0.217 262 A C 1.928 179.449 177.584 -0.104 0.000 1.487 262 A CA 1.431 53.405 52.037 -0.106 0.000 0.603 262 A CB -1.233 17.704 19.000 -0.105 0.000 1.112 262 A HN 0.436 nan 8.150 nan 0.000 0.492 263 D N 0.548 120.881 120.400 -0.112 0.000 2.154 263 D HA -0.066 4.573 4.640 -0.001 0.000 0.190 263 D C -1.011 175.245 176.300 -0.074 0.000 1.003 263 D CA 1.489 55.449 54.000 -0.067 0.000 0.849 263 D CB -2.036 38.746 40.800 -0.029 0.000 0.942 263 D HN 0.313 nan 8.370 nan 0.000 0.446 264 P HA 0.128 nan 4.420 nan 0.000 0.300 264 P C -0.025 177.159 177.300 -0.193 0.000 1.294 264 P CA -0.085 62.957 63.100 -0.097 0.000 0.757 264 P CB 0.538 32.225 31.700 -0.021 0.000 1.377 265 R N -0.052 120.277 120.500 -0.286 0.000 2.807 265 R HA 0.347 4.686 4.340 -0.001 0.000 0.276 265 R C 0.440 176.709 176.300 -0.053 0.000 0.979 265 R CA -0.732 55.147 56.100 -0.367 0.000 0.928 265 R CB 1.173 30.886 30.300 -0.979 0.000 1.191 265 R HN 0.221 nan 8.270 nan 0.000 0.471 266 R N 2.889 123.379 120.500 -0.016 0.000 2.423 266 R HA 0.068 4.408 4.340 -0.001 0.000 0.248 266 R C -0.472 175.928 176.300 0.166 0.000 1.019 266 R CA -0.072 56.073 56.100 0.075 0.000 1.119 266 R CB -0.239 30.075 30.300 0.023 0.000 1.176 266 R HN 0.515 nan 8.270 nan 0.000 0.526 267 Y N -0.648 119.640 120.300 -0.020 0.000 2.526 267 Y HA 0.052 4.602 4.550 -0.001 0.000 0.330 267 Y C 0.170 176.062 175.900 -0.014 0.000 1.156 267 Y CA -1.428 56.660 58.100 -0.020 0.000 1.419 267 Y CB 0.270 38.716 38.460 -0.023 0.000 1.250 267 Y HN -0.099 nan 8.280 nan 0.000 0.540 268 D N 3.776 124.223 120.400 0.078 0.000 3.883 268 D HA -0.202 4.437 4.640 -0.001 0.000 0.188 268 D C -0.198 176.076 176.300 -0.044 0.000 1.056 268 D CA 0.811 54.813 54.000 0.003 0.000 0.706 268 D CB 0.470 41.254 40.800 -0.026 0.000 1.163 268 D HN 0.691 nan 8.370 nan 0.000 0.585 269 L N 3.786 125.004 121.223 -0.008 0.000 2.638 269 L HA 0.252 4.591 4.340 -0.001 0.000 0.273 269 L C 1.427 178.273 176.870 -0.039 0.000 1.147 269 L CA 0.808 55.637 54.840 -0.018 0.000 0.941 269 L CB -0.391 41.675 42.059 0.012 0.000 1.251 269 L HN 0.739 nan 8.230 nan 0.000 0.479 270 G N 3.302 112.057 108.800 -0.076 0.000 3.432 270 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.188 270 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.188 270 G C 0.707 175.567 174.900 -0.066 0.000 2.301 270 G CA -0.018 45.050 45.100 -0.055 0.000 1.337 270 G HN 0.486 nan 8.290 nan 0.000 0.406 271 E N 0.940 121.095 120.200 -0.076 0.000 2.473 271 E HA 0.402 4.751 4.350 -0.001 0.000 0.204 271 E C 2.439 178.972 176.600 -0.112 0.000 0.994 271 E CA 0.657 57.030 56.400 -0.045 0.000 0.945 271 E CB 0.944 30.629 29.700 -0.025 0.000 0.990 271 E HN 0.478 nan 8.360 nan 0.000 0.493 272 A N 1.181 123.843 122.820 -0.264 0.000 1.824 272 A HA -0.078 4.242 4.320 -0.001 0.000 0.215 272 A C 2.233 179.506 177.584 -0.518 0.000 1.209 272 A CA 2.096 53.873 52.037 -0.433 0.000 0.614 272 A CB -0.950 17.641 19.000 -0.683 0.000 0.852 272 A HN 0.305 nan 8.150 nan 0.000 0.447 273 G N -2.427 105.795 108.800 -0.965 0.000 2.673 273 G HA2 0.012 3.972 3.960 -0.001 0.000 0.208 273 G HA3 0.012 3.972 3.960 -0.001 0.000 0.208 273 G C 1.527 176.338 174.900 -0.150 0.000 1.128 273 G CA 0.401 45.226 45.100 -0.459 0.000 0.805 273 G HN 0.316 nan 8.290 nan 0.000 0.526 274 R N 0.097 120.492 120.500 -0.176 0.000 2.341 274 R HA -0.090 4.249 4.340 -0.001 0.000 0.213 274 R C 1.831 178.115 176.300 -0.026 0.000 1.082 274 R CA 0.854 56.904 56.100 -0.083 0.000 1.017 274 R CB -0.429 29.828 30.300 -0.073 0.000 0.860 274 R HN 0.611 nan 8.270 nan 0.000 0.473 275 Y N 0.705 120.940 120.300 -0.108 0.000 2.184 275 Y HA -0.124 4.425 4.550 -0.001 0.000 0.290 275 Y C 1.588 177.431 175.900 -0.094 0.000 1.129 275 Y CA 1.488 59.550 58.100 -0.065 0.000 1.144 275 Y CB -0.094 38.373 38.460 0.013 0.000 0.995 275 Y HN -0.144 nan 8.280 nan 0.000 0.513 276 K N 0.816 121.109 120.400 -0.180 0.000 2.362 276 K HA -0.014 4.305 4.320 -0.001 0.000 0.200 276 K C 1.959 178.339 176.600 -0.366 0.000 1.046 276 K CA 0.819 56.885 56.287 -0.368 0.000 0.952 276 K CB -0.156 32.294 32.500 -0.082 0.000 0.753 276 K HN 0.490 nan 8.250 nan 0.000 0.466 277 A N 1.157 123.818 122.820 -0.264 0.000 1.908 277 A HA -0.083 4.236 4.320 -0.001 0.000 0.217 277 A C 1.971 179.392 177.584 -0.272 0.000 1.378 277 A CA 0.827 52.710 52.037 -0.256 0.000 0.613 277 A CB -0.764 18.139 19.000 -0.162 0.000 1.053 277 A HN 0.168 nan 8.150 nan 0.000 0.484 278 E N -0.200 119.883 120.200 -0.195 0.000 2.095 278 E HA -0.334 4.016 4.350 -0.001 0.000 0.212 278 E C 1.951 178.428 176.600 -0.205 0.000 1.044 278 E CA 2.488 58.791 56.400 -0.162 0.000 0.857 278 E CB -0.195 29.441 29.700 -0.106 0.000 0.764 278 E HN 0.673 nan 8.360 nan 0.000 0.462 279 E N 0.285 120.331 120.200 -0.257 0.000 2.015 279 E HA -0.185 4.164 4.350 -0.001 0.000 0.191 279 E C 1.830 178.247 176.600 -0.305 0.000 0.991 279 E CA 1.948 58.189 56.400 -0.265 0.000 0.802 279 E CB -0.102 29.399 29.700 -0.330 0.000 0.759 279 E HN 0.198 nan 8.360 nan 0.000 0.447 280 K N -0.284 119.872 120.400 -0.406 0.000 2.031 280 K HA 0.142 4.461 4.320 -0.001 0.000 0.205 280 K C 0.588 176.756 176.600 -0.721 0.000 1.049 280 K CA 1.281 57.294 56.287 -0.458 0.000 0.939 280 K CB -0.075 32.143 32.500 -0.471 0.000 0.717 280 K HN 0.307 nan 8.250 nan 0.000 0.438 281 L N -3.221 117.580 121.223 -0.704 0.000 2.556 281 L HA 0.571 4.911 4.340 -0.001 0.000 0.257 281 L C -0.779 175.823 176.870 -0.446 0.000 0.955 281 L CA -0.627 53.661 54.840 -0.919 0.000 0.850 281 L CB 1.984 43.379 42.059 -1.106 0.000 1.398 281 L HN 0.307 nan 8.230 nan 0.000 0.412 282 G N 1.773 110.403 108.800 -0.284 0.000 2.881 282 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.681 282 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.681 282 G C -0.063 174.773 174.900 -0.107 0.000 1.567 282 G CA 0.276 45.302 45.100 -0.125 0.000 1.013 282 G HN 0.955 nan 8.290 nan 0.000 0.580 283 I N 0.367 120.907 120.570 -0.049 0.000 2.947 283 I HA 0.289 4.459 4.170 -0.001 0.000 0.263 283 I C 1.513 177.613 176.117 -0.028 0.000 1.130 283 I CA 0.640 61.916 61.300 -0.039 0.000 1.448 283 I CB 0.082 38.074 38.000 -0.012 0.000 1.222 283 I HN 0.577 nan 8.210 nan 0.000 0.453 284 R N 1.765 122.262 120.500 -0.005 0.000 2.854 284 R HA 0.697 5.037 4.340 -0.001 0.000 0.271 284 R C -1.424 174.885 176.300 0.016 0.000 0.996 284 R CA -0.740 55.363 56.100 0.006 0.000 0.961 284 R CB 2.202 32.516 30.300 0.023 0.000 1.182 284 R HN 0.133 nan 8.270 nan 0.000 0.479 285 L N 1.711 122.945 121.223 0.018 0.000 2.415 285 L HA 0.472 4.811 4.340 -0.001 0.000 0.268 285 L C -1.376 175.520 176.870 0.043 0.000 0.984 285 L CA -0.347 54.512 54.840 0.032 0.000 0.853 285 L CB 2.033 44.100 42.059 0.014 0.000 1.215 285 L HN 0.543 nan 8.230 nan 0.000 0.419 286 S N 3.861 119.598 115.700 0.062 0.000 2.422 286 S HA 0.772 5.241 4.470 -0.001 0.000 0.298 286 S C 0.220 174.862 174.600 0.071 0.000 1.118 286 S CA 0.569 58.807 58.200 0.064 0.000 1.083 286 S CB 0.366 63.609 63.200 0.072 0.000 0.971 286 S HN 1.462 nan 8.310 nan 0.000 0.478 287 G N 5.302 114.137 108.800 0.060 0.000 2.999 287 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.686 287 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.686 287 G C 0.393 175.328 174.900 0.059 0.000 1.057 287 G CA -0.210 44.925 45.100 0.057 0.000 0.784 287 G HN 0.798 nan 8.290 nan 0.000 0.575 288 R N 0.324 120.859 120.500 0.058 0.000 2.496 288 R HA -0.274 4.066 4.340 -0.001 0.000 0.197 288 R C 2.028 178.405 176.300 0.128 0.000 0.997 288 R CA 2.685 58.839 56.100 0.091 0.000 0.715 288 R CB -1.478 28.894 30.300 0.121 0.000 0.845 288 R HN 1.055 nan 8.270 nan 0.000 0.387 289 T N 0.369 115.011 114.554 0.146 0.000 2.862 289 T HA 0.427 4.777 4.350 -0.001 0.000 0.276 289 T C 0.638 175.398 174.700 0.101 0.000 0.974 289 T CA -0.765 61.417 62.100 0.137 0.000 0.966 289 T CB 0.544 69.479 68.868 0.112 0.000 1.072 289 T HN 0.430 nan 8.240 nan 0.000 0.538 290 L N -0.095 121.194 121.223 0.111 0.000 2.891 290 L HA 0.436 4.776 4.340 -0.001 0.000 0.290 290 L C -0.041 176.902 176.870 0.121 0.000 1.093 290 L CA -0.450 54.471 54.840 0.135 0.000 1.108 290 L CB -1.577 40.596 42.059 0.191 0.000 1.488 290 L HN 0.766 nan 8.230 nan 0.000 0.447 291 A N 5.255 128.143 122.820 0.113 0.000 2.393 291 A HA 0.916 5.235 4.320 -0.001 0.000 0.306 291 A C -0.287 177.383 177.584 0.144 0.000 1.050 291 A CA -0.809 51.284 52.037 0.093 0.000 0.724 291 A CB 1.663 20.683 19.000 0.034 0.000 1.248 291 A HN 0.848 nan 8.150 nan 0.000 0.424 292 R N 1.740 122.366 120.500 0.211 0.000 3.070 292 R HA 0.347 4.686 4.340 -0.001 0.000 0.249 292 R C -1.976 174.629 176.300 0.508 0.000 1.124 292 R CA -0.344 55.943 56.100 0.311 0.000 1.111 292 R CB 0.660 31.128 30.300 0.281 0.000 1.268 292 R HN 1.358 nan 8.270 nan 0.000 0.466 293 F N 3.538 123.601 119.950 0.188 0.000 2.608 293 F HA 0.387 4.913 4.527 -0.001 0.000 0.383 293 F C 0.263 176.132 175.800 0.115 0.000 1.371 293 F CA -0.846 57.283 58.000 0.216 0.000 1.123 293 F CB -0.052 38.965 39.000 0.030 0.000 1.207 293 F HN 0.655 nan 8.300 nan 0.000 0.512 294 E N 0.837 121.134 120.200 0.162 0.000 2.127 294 E HA -0.039 4.311 4.350 -0.001 0.000 0.191 294 E C 0.176 176.751 176.600 -0.040 0.000 0.964 294 E CA 1.240 57.630 56.400 -0.016 0.000 0.832 294 E CB 0.265 29.992 29.700 0.044 0.000 0.790 294 E HN 0.395 nan 8.360 nan 0.000 0.465 295 D N -1.637 118.747 120.400 -0.026 0.000 2.474 295 D HA 0.196 4.836 4.640 -0.001 0.000 0.213 295 D C 0.940 177.173 176.300 -0.112 0.000 1.120 295 D CA 0.851 54.812 54.000 -0.065 0.000 0.836 295 D CB 1.385 42.145 40.800 -0.066 0.000 1.019 295 D HN 0.365 nan 8.370 nan 0.000 0.507 296 G N 1.379 110.087 108.800 -0.153 0.000 2.258 296 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.233 296 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.233 296 G C 0.273 174.727 174.900 -0.743 0.000 1.006 296 G CA 0.168 45.089 45.100 -0.299 0.000 0.620 296 G HN 0.314 nan 8.290 nan 0.000 0.511 297 E N 1.608 121.493 120.200 -0.525 0.000 2.167 297 E HA 0.544 4.894 4.350 -0.001 0.000 0.284 297 E C -0.477 175.851 176.600 -0.452 0.000 1.016 297 E CA -0.763 55.328 56.400 -0.515 0.000 0.817 297 E CB 0.237 29.803 29.700 -0.224 0.000 1.080 297 E HN 0.260 nan 8.360 nan 0.000 0.397 298 F N 2.987 122.972 119.950 0.059 0.000 2.370 298 F HA 0.340 4.867 4.527 -0.001 0.000 0.324 298 F C 0.858 176.686 175.800 0.047 0.000 1.116 298 F CA -0.734 57.313 58.000 0.078 0.000 1.123 298 F CB 0.911 39.961 39.000 0.084 0.000 1.238 298 F HN 0.321 nan 8.300 nan 0.000 0.536 299 K N 0.851 121.407 120.400 0.259 0.000 2.376 299 K HA 0.401 4.720 4.320 -0.001 0.000 0.257 299 K C -1.855 174.863 176.600 0.197 0.000 0.939 299 K CA -0.835 55.551 56.287 0.165 0.000 0.809 299 K CB 1.976 34.550 32.500 0.124 0.000 1.121 299 K HN 0.685 nan 8.250 nan 0.000 0.425 300 D N 3.501 124.028 120.400 0.212 0.000 2.378 300 D HA 0.070 4.709 4.640 -0.001 0.000 0.265 300 D C -0.432 176.035 176.300 0.278 0.000 1.229 300 D CA -0.510 53.647 54.000 0.262 0.000 0.914 300 D CB 1.124 42.108 40.800 0.307 0.000 1.140 300 D HN 0.669 nan 8.370 nan 0.000 0.516 301 E N 0.826 121.146 120.200 0.200 0.000 2.445 301 E HA 0.024 4.373 4.350 -0.001 0.000 0.189 301 E C 1.029 177.699 176.600 0.117 0.000 1.069 301 E CA -0.048 56.450 56.400 0.163 0.000 0.871 301 E CB 1.343 31.112 29.700 0.115 0.000 0.991 301 E HN 0.312 nan 8.360 nan 0.000 0.481 302 V N -0.855 119.146 119.914 0.145 0.000 3.219 302 V HA 0.017 4.137 4.120 -0.001 0.000 0.240 302 V C 1.342 177.472 176.094 0.060 0.000 1.222 302 V CA 0.272 62.614 62.300 0.069 0.000 1.181 302 V CB -0.008 31.847 31.823 0.053 0.000 0.941 302 V HN 0.146 nan 8.190 nan 0.000 0.471 303 F N 1.060 121.037 119.950 0.046 0.000 2.186 303 F HA -0.073 4.453 4.527 -0.001 0.000 0.299 303 F C 2.059 177.847 175.800 -0.020 0.000 1.090 303 F CA 2.468 60.489 58.000 0.034 0.000 1.307 303 F CB 0.117 39.165 39.000 0.079 0.000 1.019 303 F HN 0.287 nan 8.300 nan 0.000 0.489 304 L N -1.920 119.372 121.223 0.114 0.000 2.131 304 L HA 0.136 4.475 4.340 -0.001 0.000 0.206 304 L C -1.044 175.788 176.870 -0.063 0.000 1.087 304 L CA 0.574 55.358 54.840 -0.092 0.000 0.767 304 L CB -2.368 39.460 42.059 -0.384 0.000 0.917 304 L HN -0.133 nan 8.230 nan 0.000 0.441 305 P HA -0.124 nan 4.420 nan 0.000 0.218 305 P C 1.819 179.153 177.300 0.056 0.000 1.149 305 P CA 2.143 65.251 63.100 0.014 0.000 0.817 305 P CB -0.166 31.523 31.700 -0.019 0.000 0.785 306 T N -2.196 112.362 114.554 0.006 0.000 2.708 306 T HA -0.162 4.188 4.350 -0.001 0.000 0.266 306 T C 1.730 176.565 174.700 0.224 0.000 1.037 306 T CA 1.022 63.163 62.100 0.068 0.000 1.146 306 T CB -1.195 67.635 68.868 -0.064 0.000 0.865 306 T HN -0.098 nan 8.240 nan 0.000 0.435 307 L N 0.709 121.989 121.223 0.096 0.000 2.156 307 L HA 0.373 4.712 4.340 -0.001 0.000 0.208 307 L C 2.763 179.668 176.870 0.058 0.000 1.095 307 L CA 1.267 56.153 54.840 0.077 0.000 0.770 307 L CB -0.941 41.097 42.059 -0.034 0.000 0.914 307 L HN 0.140 nan 8.230 nan 0.000 0.439 308 R N -2.049 118.471 120.500 0.034 0.000 2.096 308 R HA -0.192 4.147 4.340 -0.001 0.000 0.235 308 R C 1.925 178.391 176.300 0.277 0.000 1.127 308 R CA 1.457 57.612 56.100 0.092 0.000 0.968 308 R CB -0.494 29.867 30.300 0.102 0.000 0.861 308 R HN 0.358 nan 8.270 nan 0.000 0.440 309 Y N -0.652 119.762 120.300 0.190 0.000 2.519 309 Y HA 0.014 4.563 4.550 -0.001 0.000 0.287 309 Y C 1.575 177.620 175.900 0.242 0.000 1.128 309 Y CA 0.529 58.809 58.100 0.301 0.000 1.282 309 Y CB 0.120 38.814 38.460 0.389 0.000 1.027 309 Y HN 0.080 nan 8.280 nan 0.000 0.551 310 L N -1.335 120.008 121.223 0.201 0.000 2.044 310 L HA -0.091 4.248 4.340 -0.001 0.000 0.205 310 L C 1.945 178.856 176.870 0.067 0.000 1.075 310 L CA 1.742 56.477 54.840 -0.175 0.000 0.747 310 L CB -0.984 41.061 42.059 -0.023 0.000 0.903 310 L HN 0.129 nan 8.230 nan 0.000 0.435 311 F N -0.026 119.924 119.950 0.000 0.000 2.161 311 F HA -0.262 4.264 4.527 -0.001 0.000 0.300 311 F C 2.460 178.320 175.800 0.100 0.000 1.089 311 F CA 1.017 59.077 58.000 0.100 0.000 1.282 311 F CB -0.352 38.794 39.000 0.244 0.000 1.010 311 F HN 0.295 nan 8.300 nan 0.000 0.485 312 A N -0.167 122.755 122.820 0.171 0.000 1.897 312 A HA -0.138 4.181 4.320 -0.001 0.000 0.215 312 A C 1.935 179.396 177.584 -0.204 0.000 1.181 312 A CA 1.278 53.209 52.037 -0.178 0.000 0.620 312 A CB -0.944 17.782 19.000 -0.457 0.000 0.821 312 A HN 0.384 nan 8.150 nan 0.000 0.443 313 L N 0.590 121.690 121.223 -0.206 0.000 2.141 313 L HA -0.086 4.253 4.340 -0.001 0.000 0.209 313 L C 2.274 179.104 176.870 -0.067 0.000 1.094 313 L CA 2.853 57.581 54.840 -0.186 0.000 0.763 313 L CB -0.795 41.068 42.059 -0.328 0.000 0.908 313 L HN 0.468 nan 8.230 nan 0.000 0.437 314 T N -4.225 110.306 114.554 -0.038 0.000 3.081 314 T HA 0.317 4.666 4.350 -0.001 0.000 0.255 314 T C 1.528 176.234 174.700 0.011 0.000 1.113 314 T CA 0.462 62.583 62.100 0.035 0.000 1.082 314 T CB -0.104 68.745 68.868 -0.032 0.000 0.939 314 T HN 0.351 nan 8.240 nan 0.000 0.506 315 A N 0.849 123.669 122.820 -0.000 0.000 1.944 315 A HA 0.806 5.125 4.320 -0.001 0.000 0.207 315 A C 1.461 179.046 177.584 0.002 0.000 1.265 315 A CA 0.669 52.710 52.037 0.007 0.000 0.712 315 A CB -0.214 18.820 19.000 0.057 0.000 0.915 315 A HN 0.733 nan 8.150 nan 0.000 0.470 316 G N -1.655 107.129 108.800 -0.026 0.000 2.696 316 G HA2 0.414 4.373 3.960 -0.001 0.000 0.151 316 G HA3 0.414 4.373 3.960 -0.001 0.000 0.151 316 G C -1.358 173.513 174.900 -0.048 0.000 1.197 316 G CA 0.428 45.516 45.100 -0.021 0.000 1.053 316 G HN 0.380 nan 8.290 nan 0.000 0.546 317 V N 2.621 122.485 119.914 -0.083 0.000 2.180 317 V HA 0.278 4.398 4.120 -0.001 0.000 0.265 317 V C -1.502 174.460 176.094 -0.220 0.000 1.214 317 V CA -0.656 61.544 62.300 -0.167 0.000 1.130 317 V CB 0.657 32.362 31.823 -0.196 0.000 1.266 317 V HN 0.442 nan 8.190 nan 0.000 0.473 318 P HA 0.105 nan 4.420 nan 0.000 0.221 318 P C 0.868 178.044 177.300 -0.207 0.000 1.150 318 P CA 1.095 64.046 63.100 -0.249 0.000 0.800 318 P CB 0.344 31.832 31.700 -0.353 0.000 0.787 319 G N -2.714 105.940 108.800 -0.243 0.000 2.441 319 G HA2 0.195 4.154 3.960 -0.001 0.000 0.294 319 G HA3 0.195 4.154 3.960 -0.001 0.000 0.294 319 G C -1.849 172.889 174.900 -0.270 0.000 1.393 319 G CA -0.585 44.368 45.100 -0.246 0.000 0.796 319 G HN -0.144 nan 8.290 nan 0.000 0.494 320 H N 1.921 120.971 119.070 -0.033 0.000 2.787 320 H HA 0.238 4.794 4.556 -0.001 0.000 0.275 320 H C -0.134 175.187 175.328 -0.011 0.000 1.183 320 H CA -0.268 55.762 56.048 -0.030 0.000 1.290 320 H CB 1.058 30.809 29.762 -0.019 0.000 1.438 320 H HN 0.512 nan 8.280 nan 0.000 0.487 321 E N 2.908 123.165 120.200 0.095 0.000 1.856 321 E HA 0.218 4.567 4.350 -0.001 0.000 0.263 321 E C -0.236 176.414 176.600 0.084 0.000 1.137 321 E CA -0.729 55.759 56.400 0.147 0.000 1.007 321 E CB 0.077 29.943 29.700 0.277 0.000 1.117 321 E HN 0.219 nan 8.360 nan 0.000 0.438 322 V N -0.975 118.966 119.914 0.045 0.000 2.488 322 V HA 0.361 4.481 4.120 -0.001 0.000 0.293 322 V C -0.600 175.509 176.094 0.025 0.000 1.027 322 V CA -1.040 61.262 62.300 0.003 0.000 0.862 322 V CB 1.896 33.699 31.823 -0.034 0.000 1.008 322 V HN 0.158 nan 8.190 nan 0.000 0.428 323 D N 3.671 124.093 120.400 0.038 0.000 2.347 323 D HA 0.159 4.798 4.640 -0.001 0.000 0.235 323 D C -0.329 175.957 176.300 -0.023 0.000 1.149 323 D CA 0.260 54.267 54.000 0.012 0.000 0.850 323 D CB 1.582 42.426 40.800 0.074 0.000 1.061 323 D HN 0.804 nan 8.370 nan 0.000 0.487 324 D N 4.719 125.111 120.400 -0.014 0.000 2.348 324 D HA -0.012 4.627 4.640 -0.001 0.000 0.259 324 D C 1.732 177.968 176.300 -0.106 0.000 1.296 324 D CA -0.282 53.700 54.000 -0.030 0.000 0.931 324 D CB 0.510 41.364 40.800 0.091 0.000 1.067 324 D HN 0.422 nan 8.370 nan 0.000 0.503 325 I N 2.852 123.319 120.570 -0.172 0.000 2.074 325 I HA -0.370 3.799 4.170 -0.001 0.000 0.238 325 I C 1.439 177.440 176.117 -0.194 0.000 1.037 325 I CA 1.362 62.521 61.300 -0.234 0.000 1.301 325 I CB -0.209 37.690 38.000 -0.167 0.000 1.016 325 I HN 0.357 nan 8.210 nan 0.000 0.400 326 D N -0.411 119.836 120.400 -0.256 0.000 2.403 326 D HA -0.129 4.511 4.640 -0.001 0.000 0.227 326 D C 0.921 177.159 176.300 -0.104 0.000 0.995 326 D CA 0.587 54.434 54.000 -0.255 0.000 0.928 326 D CB -0.646 39.860 40.800 -0.491 0.000 0.887 326 D HN 0.307 nan 8.370 nan 0.000 0.529 327 H N 1.189 120.206 119.070 -0.089 0.000 3.004 327 H HA -0.066 4.490 4.556 -0.001 0.000 0.316 327 H C 1.131 176.473 175.328 0.022 0.000 1.014 327 H CA -0.276 55.805 56.048 0.055 0.000 1.454 327 H CB 0.868 30.638 29.762 0.014 0.000 1.472 327 H HN -0.092 nan 8.280 nan 0.000 0.571 328 L N 4.871 126.148 121.223 0.090 0.000 2.450 328 L HA -0.071 4.268 4.340 -0.001 0.000 0.224 328 L C 2.483 179.472 176.870 0.197 0.000 1.149 328 L CA 1.558 56.499 54.840 0.169 0.000 0.816 328 L CB -1.155 40.997 42.059 0.155 0.000 0.932 328 L HN 0.797 nan 8.230 nan 0.000 0.449 329 G N -1.284 107.628 108.800 0.188 0.000 2.848 329 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.208 329 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.208 329 G C 1.272 175.997 174.900 -0.292 0.000 1.152 329 G CA 0.170 45.167 45.100 -0.171 0.000 0.789 329 G HN 0.392 nan 8.290 nan 0.000 0.531 330 N N -0.466 118.234 118.700 0.000 0.000 2.145 330 N HA 0.109 4.849 4.740 -0.001 0.000 0.219 330 N C 0.165 175.768 175.510 0.155 0.000 1.266 330 N CA -0.107 52.971 53.050 0.046 0.000 0.902 330 N CB 1.062 39.419 38.487 -0.217 0.000 1.078 330 N HN 0.159 nan 8.380 nan 0.000 0.513 331 R N 1.315 121.959 120.500 0.240 0.000 2.337 331 R HA 0.305 4.645 4.340 -0.001 0.000 0.319 331 R C -0.161 176.373 176.300 0.390 0.000 0.954 331 R CA -0.510 55.752 56.100 0.270 0.000 0.840 331 R CB 2.107 32.522 30.300 0.190 0.000 1.164 331 R HN 0.018 nan 8.270 nan 0.000 0.472 332 R N 3.356 124.069 120.500 0.355 0.000 2.459 332 R HA 0.280 4.619 4.340 -0.001 0.000 0.281 332 R C -0.712 175.744 176.300 0.260 0.000 1.050 332 R CA -0.493 55.716 56.100 0.182 0.000 1.055 332 R CB 0.708 30.962 30.300 -0.077 0.000 1.045 332 R HN 0.338 nan 8.270 nan 0.000 0.495 333 I N 4.272 124.897 120.570 0.092 0.000 2.312 333 I HA 0.272 4.442 4.170 -0.001 0.000 0.290 333 I C 0.070 176.195 176.117 0.014 0.000 1.008 333 I CA -0.384 60.949 61.300 0.056 0.000 1.226 333 I CB 1.467 39.492 38.000 0.042 0.000 1.371 333 I HN 0.506 nan 8.210 nan 0.000 0.468 334 R N 4.572 125.058 120.500 -0.023 0.000 2.216 334 R HA 0.386 4.726 4.340 -0.001 0.000 0.332 334 R C 0.154 176.451 176.300 -0.004 0.000 1.056 334 R CA -0.507 55.577 56.100 -0.026 0.000 0.901 334 R CB 0.026 30.269 30.300 -0.095 0.000 1.039 334 R HN 0.646 nan 8.270 nan 0.000 0.456 335 T N -0.998 113.563 114.554 0.013 0.000 2.813 335 T HA 0.048 4.397 4.350 -0.001 0.000 0.297 335 T C 1.789 176.531 174.700 0.069 0.000 1.036 335 T CA -0.968 61.154 62.100 0.037 0.000 1.044 335 T CB 1.004 69.894 68.868 0.037 0.000 0.993 335 T HN 0.204 nan 8.240 nan 0.000 0.535 336 V N 2.373 122.349 119.914 0.103 0.000 2.233 336 V HA -0.231 3.889 4.120 -0.001 0.000 0.252 336 V C 2.950 179.163 176.094 0.198 0.000 1.063 336 V CA 2.611 64.997 62.300 0.143 0.000 1.032 336 V CB -1.875 30.060 31.823 0.187 0.000 0.645 336 V HN 1.179 nan 8.190 nan 0.000 0.446 337 G N -0.695 108.266 108.800 0.268 0.000 2.732 337 G HA2 -0.435 3.525 3.960 -0.001 0.000 0.222 337 G HA3 -0.435 3.525 3.960 -0.001 0.000 0.222 337 G C 1.520 176.487 174.900 0.111 0.000 1.203 337 G CA 1.419 46.666 45.100 0.245 0.000 0.780 337 G HN 0.628 nan 8.290 nan 0.000 0.621 338 E N 0.046 120.282 120.200 0.060 0.000 2.130 338 E HA -0.128 4.222 4.350 -0.001 0.000 0.196 338 E C 2.621 179.210 176.600 -0.018 0.000 0.998 338 E CA 0.970 57.380 56.400 0.016 0.000 0.806 338 E CB -0.210 29.501 29.700 0.018 0.000 0.738 338 E HN 0.495 nan 8.360 nan 0.000 0.459 339 L N 0.381 121.602 121.223 -0.003 0.000 2.083 339 L HA -0.175 4.165 4.340 -0.001 0.000 0.209 339 L C 2.732 179.390 176.870 -0.353 0.000 1.083 339 L CA 1.060 55.866 54.840 -0.057 0.000 0.752 339 L CB -0.324 41.809 42.059 0.123 0.000 0.899 339 L HN 0.334 nan 8.230 nan 0.000 0.433 340 M N -1.240 118.249 119.600 -0.185 0.000 2.287 340 M HA -0.135 4.344 4.480 -0.001 0.000 0.266 340 M C 2.346 178.571 176.300 -0.125 0.000 1.079 340 M CA 1.689 56.858 55.300 -0.219 0.000 1.146 340 M CB -0.446 32.321 32.600 0.277 0.000 1.374 340 M HN 0.175 nan 8.290 nan 0.000 0.435 341 T N 0.378 114.898 114.554 -0.056 0.000 2.759 341 T HA -0.200 4.149 4.350 -0.001 0.000 0.269 341 T C 1.288 175.963 174.700 -0.042 0.000 1.042 341 T CA 2.253 64.329 62.100 -0.039 0.000 1.140 341 T CB -0.284 68.555 68.868 -0.049 0.000 0.864 341 T HN 0.538 nan 8.240 nan 0.000 0.455 342 D N -0.423 119.908 120.400 -0.115 0.000 2.084 342 D HA -0.107 4.533 4.640 -0.001 0.000 0.194 342 D C 2.306 178.514 176.300 -0.153 0.000 0.990 342 D CA 1.111 55.038 54.000 -0.121 0.000 0.826 342 D CB -0.076 40.648 40.800 -0.128 0.000 0.971 342 D HN 0.212 nan 8.370 nan 0.000 0.453 343 Q N -0.764 118.860 119.800 -0.294 0.000 2.124 343 Q HA -0.079 4.260 4.340 -0.001 0.000 0.202 343 Q C 1.753 177.671 176.000 -0.137 0.000 0.977 343 Q CA 1.019 56.659 55.803 -0.271 0.000 0.850 343 Q CB -0.443 27.971 28.738 -0.540 0.000 0.901 343 Q HN 0.419 nan 8.270 nan 0.000 0.429 344 F N 1.073 120.894 119.950 -0.215 0.000 2.216 344 F HA -0.175 4.351 4.527 -0.001 0.000 0.300 344 F C 2.182 177.870 175.800 -0.187 0.000 1.085 344 F CA 1.562 59.458 58.000 -0.174 0.000 1.326 344 F CB 0.025 38.923 39.000 -0.170 0.000 1.027 344 F HN 0.108 nan 8.300 nan 0.000 0.497 345 R N -0.367 120.112 120.500 -0.035 0.000 2.200 345 R HA -0.007 4.333 4.340 -0.001 0.000 0.208 345 R C 1.630 177.846 176.300 -0.140 0.000 1.033 345 R CA 1.341 57.382 56.100 -0.098 0.000 1.000 345 R CB -1.010 29.262 30.300 -0.048 0.000 0.906 345 R HN 0.280 nan 8.270 nan 0.000 0.462 346 V N 1.472 121.305 119.914 -0.135 0.000 2.515 346 V HA -0.081 4.038 4.120 -0.001 0.000 0.250 346 V C 2.537 178.538 176.094 -0.155 0.000 1.058 346 V CA 1.986 64.214 62.300 -0.120 0.000 1.064 346 V CB -0.611 31.157 31.823 -0.093 0.000 0.675 346 V HN 0.616 nan 8.190 nan 0.000 0.461 347 G N -0.268 108.395 108.800 -0.228 0.000 2.394 347 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.215 347 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.215 347 G C 1.469 176.175 174.900 -0.323 0.000 1.165 347 G CA 0.503 45.432 45.100 -0.285 0.000 0.784 347 G HN 0.362 nan 8.290 nan 0.000 0.535 348 L N 1.528 122.517 121.223 -0.390 0.000 2.042 348 L HA -0.017 4.322 4.340 -0.001 0.000 0.210 348 L C 3.251 179.995 176.870 -0.210 0.000 1.076 348 L CA 1.765 56.405 54.840 -0.333 0.000 0.749 348 L CB -0.900 40.978 42.059 -0.301 0.000 0.893 348 L HN 0.290 nan 8.230 nan 0.000 0.432 349 A N -0.750 121.970 122.820 -0.166 0.000 1.877 349 A HA -0.211 4.108 4.320 -0.001 0.000 0.216 349 A C 2.426 179.944 177.584 -0.110 0.000 1.186 349 A CA 1.560 53.526 52.037 -0.117 0.000 0.620 349 A CB -0.447 18.497 19.000 -0.093 0.000 0.822 349 A HN 0.386 nan 8.150 nan 0.000 0.443 350 R N -1.087 119.341 120.500 -0.120 0.000 2.105 350 R HA -0.134 4.206 4.340 -0.001 0.000 0.239 350 R C 2.109 178.345 176.300 -0.107 0.000 1.135 350 R CA 1.481 57.519 56.100 -0.103 0.000 0.967 350 R CB -0.589 29.647 30.300 -0.107 0.000 0.861 350 R HN 0.511 nan 8.270 nan 0.000 0.442 351 L N 0.675 121.815 121.223 -0.139 0.000 2.044 351 L HA 0.026 4.365 4.340 -0.001 0.000 0.205 351 L C 2.213 179.015 176.870 -0.114 0.000 1.075 351 L CA 1.887 56.648 54.840 -0.132 0.000 0.747 351 L CB -0.688 41.269 42.059 -0.171 0.000 0.903 351 L HN 0.093 nan 8.230 nan 0.000 0.435 352 A N -0.157 122.588 122.820 -0.124 0.000 2.070 352 A HA -0.211 4.108 4.320 -0.001 0.000 0.220 352 A C 2.495 180.035 177.584 -0.074 0.000 1.159 352 A CA 1.526 53.499 52.037 -0.107 0.000 0.656 352 A CB -0.713 18.221 19.000 -0.110 0.000 0.800 352 A HN 0.579 nan 8.150 nan 0.000 0.453 353 R N -0.393 120.065 120.500 -0.070 0.000 2.070 353 R HA -0.103 4.236 4.340 -0.001 0.000 0.233 353 R C 2.197 178.472 176.300 -0.042 0.000 1.137 353 R CA 1.836 57.906 56.100 -0.051 0.000 0.945 353 R CB -0.759 29.509 30.300 -0.052 0.000 0.845 353 R HN 0.381 nan 8.270 nan 0.000 0.430 354 G N 0.115 108.886 108.800 -0.047 0.000 2.464 354 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.217 354 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.217 354 G C 1.383 176.263 174.900 -0.033 0.000 1.138 354 G CA 0.468 45.545 45.100 -0.037 0.000 0.793 354 G HN 0.277 nan 8.290 nan 0.000 0.539 355 V N 0.600 120.488 119.914 -0.044 0.000 2.407 355 V HA -0.092 4.028 4.120 -0.001 0.000 0.248 355 V C 2.752 178.832 176.094 -0.023 0.000 1.055 355 V CA 2.416 64.693 62.300 -0.038 0.000 1.049 355 V CB -0.312 31.474 31.823 -0.061 0.000 0.662 355 V HN 0.429 nan 8.190 nan 0.000 0.455 356 R N -0.369 120.117 120.500 -0.024 0.000 2.148 356 R HA -0.142 4.198 4.340 -0.001 0.000 0.227 356 R C 2.164 178.462 176.300 -0.003 0.000 1.103 356 R CA 1.806 57.899 56.100 -0.011 0.000 0.983 356 R CB -0.170 30.124 30.300 -0.010 0.000 0.874 356 R HN 0.668 nan 8.270 nan 0.000 0.451 357 E N -0.292 119.904 120.200 -0.007 0.000 2.150 357 E HA -0.171 4.178 4.350 -0.001 0.000 0.193 357 E C 1.811 178.413 176.600 0.002 0.000 0.985 357 E CA 0.915 57.314 56.400 -0.003 0.000 0.814 357 E CB 0.096 29.792 29.700 -0.007 0.000 0.752 357 E HN 0.267 nan 8.360 nan 0.000 0.466 358 R N 0.032 120.533 120.500 0.001 0.000 2.299 358 R HA 0.140 4.480 4.340 -0.001 0.000 0.197 358 R C 2.053 178.363 176.300 0.016 0.000 0.971 358 R CA 0.165 56.270 56.100 0.007 0.000 1.030 358 R CB 0.051 30.354 30.300 0.006 0.000 0.932 358 R HN 0.136 nan 8.270 nan 0.000 0.477 359 M N 0.417 120.027 119.600 0.017 0.000 2.296 359 M HA -0.070 4.410 4.480 -0.001 0.000 0.265 359 M C 1.103 177.419 176.300 0.027 0.000 1.064 359 M CA 1.670 56.986 55.300 0.027 0.000 1.109 359 M CB 0.190 32.806 32.600 0.026 0.000 1.396 359 M HN 0.185 nan 8.290 nan 0.000 0.430 360 L N -2.507 118.727 121.223 0.019 0.000 2.463 360 L HA 0.049 4.389 4.340 -0.001 0.000 0.219 360 L C 2.344 179.222 176.870 0.014 0.000 1.088 360 L CA 0.087 54.937 54.840 0.016 0.000 0.849 360 L CB -0.670 41.397 42.059 0.013 0.000 1.012 360 L HN 0.243 nan 8.230 nan 0.000 0.468 361 M N 1.247 120.854 119.600 0.013 0.000 2.160 361 M HA 0.117 4.597 4.480 -0.001 0.000 0.264 361 M C 1.174 177.482 176.300 0.012 0.000 1.073 361 M CA 0.984 56.290 55.300 0.011 0.000 1.142 361 M CB -0.038 32.567 32.600 0.009 0.000 1.358 361 M HN 0.306 nan 8.290 nan 0.000 0.422 362 G N 0.608 109.418 108.800 0.017 0.000 2.299 362 G HA2 0.150 4.109 3.960 -0.001 0.000 0.256 362 G HA3 0.150 4.109 3.960 -0.001 0.000 0.256 362 G C 0.518 175.425 174.900 0.012 0.000 1.259 362 G CA -0.116 44.994 45.100 0.018 0.000 0.943 362 G HN 0.475 nan 8.290 nan 0.000 0.479 363 S N 1.899 117.603 115.700 0.007 0.000 2.462 363 S HA -0.089 4.380 4.470 -0.001 0.000 0.219 363 S C 1.318 175.915 174.600 -0.005 0.000 1.048 363 S CA 0.989 59.191 58.200 0.002 0.000 1.119 363 S CB -0.142 63.059 63.200 0.001 0.000 1.100 363 S HN 0.709 nan 8.310 nan 0.000 0.411 364 E N 0.228 120.420 120.200 -0.013 0.000 2.819 364 E HA 0.192 4.541 4.350 -0.001 0.000 0.241 364 E C 1.215 177.784 176.600 -0.051 0.000 0.987 364 E CA -0.525 55.855 56.400 -0.034 0.000 1.024 364 E CB -0.356 29.322 29.700 -0.038 0.000 1.448 364 E HN 0.289 nan 8.360 nan 0.000 0.484 365 D N 0.428 120.759 120.400 -0.116 0.000 2.158 365 D HA -0.127 4.512 4.640 -0.001 0.000 0.197 365 D C -0.214 176.042 176.300 -0.074 0.000 0.995 365 D CA 0.810 54.672 54.000 -0.230 0.000 0.846 365 D CB 0.062 40.634 40.800 -0.379 0.000 0.941 365 D HN 0.054 nan 8.370 nan 0.000 0.456 366 S N 0.043 115.729 115.700 -0.024 0.000 3.355 366 S HA 0.172 4.641 4.470 -0.001 0.000 0.293 366 S C 0.375 175.004 174.600 0.048 0.000 1.197 366 S CA -0.180 58.037 58.200 0.028 0.000 1.117 366 S CB -0.172 63.040 63.200 0.020 0.000 1.587 366 S HN 0.301 nan 8.310 nan 0.000 0.536 367 L N 0.737 122.010 121.223 0.085 0.000 3.521 367 L HA 0.256 4.595 4.340 -0.001 0.000 0.323 367 L C 1.504 178.431 176.870 0.096 0.000 1.268 367 L CA -0.100 54.788 54.840 0.081 0.000 1.064 367 L CB -0.804 41.302 42.059 0.078 0.000 1.455 367 L HN 0.220 nan 8.230 nan 0.000 0.622 368 T N 0.432 115.053 114.554 0.113 0.000 2.668 368 T HA 0.003 4.353 4.350 -0.001 0.000 0.262 368 T C -0.611 174.144 174.700 0.091 0.000 1.045 368 T CA 1.677 63.839 62.100 0.104 0.000 1.152 368 T CB -0.651 68.281 68.868 0.107 0.000 0.864 368 T HN 0.214 nan 8.240 nan 0.000 0.419 369 P HA -0.012 nan 4.420 nan 0.000 0.207 369 P C 1.388 178.733 177.300 0.074 0.000 0.993 369 P CA 1.145 64.297 63.100 0.086 0.000 0.885 369 P CB -0.277 31.470 31.700 0.078 0.000 0.600 370 A N -1.223 121.635 122.820 0.063 0.000 2.014 370 A HA -0.135 4.184 4.320 -0.001 0.000 0.218 370 A C 2.181 179.786 177.584 0.036 0.000 1.163 370 A CA 1.690 53.756 52.037 0.048 0.000 0.652 370 A CB -1.156 17.870 19.000 0.044 0.000 0.808 370 A HN 0.140 nan 8.150 nan 0.000 0.449 371 K N -1.068 119.356 120.400 0.040 0.000 2.209 371 K HA -0.042 4.278 4.320 -0.001 0.000 0.204 371 K C 1.318 177.934 176.600 0.026 0.000 1.048 371 K CA 1.131 57.437 56.287 0.033 0.000 0.940 371 K CB -0.142 32.382 32.500 0.040 0.000 0.729 371 K HN 0.352 nan 8.250 nan 0.000 0.451 372 L N -0.863 120.378 121.223 0.030 0.000 2.425 372 L HA 0.184 4.523 4.340 -0.001 0.000 0.215 372 L C -0.211 176.659 176.870 -0.001 0.000 1.065 372 L CA 0.382 55.230 54.840 0.014 0.000 0.842 372 L CB 0.635 42.706 42.059 0.019 0.000 1.033 372 L HN -0.193 nan 8.230 nan 0.000 0.474 373 V N 1.766 121.689 119.914 0.015 0.000 2.472 373 V HA 0.449 4.568 4.120 -0.001 0.000 0.290 373 V C -0.637 175.454 176.094 -0.004 0.000 1.037 373 V CA -0.749 61.555 62.300 0.006 0.000 0.908 373 V CB 1.541 33.390 31.823 0.044 0.000 0.985 373 V HN 0.495 nan 8.190 nan 0.000 0.454 374 N N 1.697 120.379 118.700 -0.030 0.000 2.558 374 N HA 0.139 4.879 4.740 -0.001 0.000 0.285 374 N C -0.032 175.435 175.510 -0.073 0.000 1.112 374 N CA -0.538 52.485 53.050 -0.045 0.000 0.857 374 N CB 1.691 40.152 38.487 -0.043 0.000 1.376 374 N HN 0.409 nan 8.380 nan 0.000 0.526 375 S N 1.353 116.999 115.700 -0.091 0.000 2.603 375 S HA -0.047 4.423 4.470 -0.001 0.000 0.229 375 S C 1.643 176.165 174.600 -0.131 0.000 0.972 375 S CA 0.205 58.328 58.200 -0.128 0.000 0.935 375 S CB -0.036 63.048 63.200 -0.193 0.000 0.769 375 S HN 0.424 nan 8.310 nan 0.000 0.536 376 R N 2.248 122.685 120.500 -0.105 0.000 2.080 376 R HA -0.001 4.338 4.340 -0.001 0.000 0.236 376 R C -0.726 175.521 176.300 -0.089 0.000 1.137 376 R CA 1.432 57.478 56.100 -0.090 0.000 0.943 376 R CB -1.852 28.407 30.300 -0.068 0.000 0.846 376 R HN 0.308 nan 8.270 nan 0.000 0.431 377 P HA -0.149 nan 4.420 nan 0.000 0.211 377 P C 1.234 178.457 177.300 -0.127 0.000 1.179 377 P CA 0.800 63.839 63.100 -0.102 0.000 0.910 377 P CB -0.059 31.574 31.700 -0.111 0.000 0.785 378 L N -0.199 120.919 121.223 -0.174 0.000 2.043 378 L HA -0.220 4.119 4.340 -0.001 0.000 0.212 378 L C 2.217 179.007 176.870 -0.133 0.000 1.075 378 L CA 2.012 56.714 54.840 -0.229 0.000 0.752 378 L CB -1.297 40.583 42.059 -0.298 0.000 0.891 378 L HN -0.127 nan 8.230 nan 0.000 0.432 379 E N -0.555 119.583 120.200 -0.103 0.000 2.017 379 E HA -0.183 4.166 4.350 -0.001 0.000 0.193 379 E C 2.210 178.799 176.600 -0.019 0.000 0.997 379 E CA 1.643 58.007 56.400 -0.060 0.000 0.804 379 E CB -0.535 29.107 29.700 -0.098 0.000 0.757 379 E HN 0.538 nan 8.360 nan 0.000 0.448 380 A N 0.687 123.488 122.820 -0.032 0.000 1.917 380 A HA -0.196 4.123 4.320 -0.001 0.000 0.219 380 A C 2.340 179.934 177.584 0.016 0.000 1.182 380 A CA 2.404 54.437 52.037 -0.007 0.000 0.633 380 A CB -1.053 17.935 19.000 -0.021 0.000 0.819 380 A HN 0.356 nan 8.150 nan 0.000 0.448 381 A N 0.024 122.838 122.820 -0.010 0.000 1.832 381 A HA -0.060 4.259 4.320 -0.001 0.000 0.214 381 A C 2.127 179.761 177.584 0.083 0.000 1.200 381 A CA 1.496 53.536 52.037 0.004 0.000 0.610 381 A CB -0.778 18.178 19.000 -0.073 0.000 0.842 381 A HN 0.470 nan 8.150 nan 0.000 0.444 382 I N -0.689 119.935 120.570 0.089 0.000 2.118 382 I HA -0.342 3.828 4.170 -0.001 0.000 0.241 382 I C 2.725 179.045 176.117 0.338 0.000 1.070 382 I CA 2.150 63.593 61.300 0.240 0.000 1.327 382 I CB -0.396 37.760 38.000 0.259 0.000 1.034 382 I HN 0.444 nan 8.210 nan 0.000 0.405 383 R N 1.340 121.972 120.500 0.220 0.000 2.112 383 R HA -0.278 4.061 4.340 -0.001 0.000 0.242 383 R C 2.156 178.575 176.300 0.200 0.000 1.137 383 R CA 2.238 58.458 56.100 0.201 0.000 0.944 383 R CB -0.439 29.928 30.300 0.111 0.000 0.857 383 R HN 0.308 nan 8.270 nan 0.000 0.435 384 E N -1.115 119.176 120.200 0.151 0.000 2.171 384 E HA -0.221 4.128 4.350 -0.001 0.000 0.197 384 E C 1.539 178.216 176.600 0.129 0.000 0.997 384 E CA 1.511 57.979 56.400 0.114 0.000 0.810 384 E CB -0.199 29.553 29.700 0.087 0.000 0.738 384 E HN 0.425 nan 8.360 nan 0.000 0.467 385 F N -0.908 119.056 119.950 0.024 0.000 2.128 385 F HA -0.043 4.483 4.527 -0.001 0.000 0.295 385 F C 1.427 177.127 175.800 -0.165 0.000 1.100 385 F CA 1.123 59.071 58.000 -0.086 0.000 1.260 385 F CB -0.082 38.843 39.000 -0.125 0.000 1.009 385 F HN -0.004 nan 8.300 nan 0.000 0.476 386 F N -0.465 119.514 119.950 0.049 0.000 2.780 386 F HA -0.010 4.516 4.527 -0.001 0.000 0.299 386 F C 2.358 178.091 175.800 -0.111 0.000 1.146 386 F CA 0.900 58.840 58.000 -0.100 0.000 1.428 386 F CB -0.175 38.804 39.000 -0.035 0.000 1.115 386 F HN 0.104 nan 8.300 nan 0.000 0.583 387 S N -1.446 114.303 115.700 0.081 0.000 2.593 387 S HA 0.186 4.656 4.470 -0.001 0.000 0.235 387 S C 1.509 176.105 174.600 -0.007 0.000 1.059 387 S CA -0.349 57.882 58.200 0.051 0.000 0.953 387 S CB 0.275 63.525 63.200 0.084 0.000 0.897 387 S HN 0.163 nan 8.310 nan 0.000 0.507 388 R N 1.371 121.844 120.500 -0.045 0.000 2.316 388 R HA 0.429 4.768 4.340 -0.001 0.000 0.201 388 R C 0.601 176.822 176.300 -0.131 0.000 0.888 388 R CA 0.329 56.394 56.100 -0.058 0.000 1.041 388 R CB -0.052 30.235 30.300 -0.021 0.000 1.115 388 R HN 0.309 nan 8.270 nan 0.000 0.559 389 S N 1.644 117.187 115.700 -0.263 0.000 2.544 389 S HA -0.073 4.397 4.470 -0.001 0.000 0.290 389 S C 1.092 175.520 174.600 -0.286 0.000 1.276 389 S CA -0.197 57.777 58.200 -0.377 0.000 1.075 389 S CB 0.522 63.165 63.200 -0.928 0.000 0.849 389 S HN 0.290 nan 8.310 nan 0.000 0.494 390 Q N 4.092 123.781 119.800 -0.185 0.000 2.112 390 Q HA -0.205 4.135 4.340 -0.001 0.000 0.206 390 Q C 2.022 177.939 176.000 -0.139 0.000 0.987 390 Q CA 1.584 57.313 55.803 -0.123 0.000 0.858 390 Q CB -0.379 28.311 28.738 -0.080 0.000 0.905 390 Q HN 0.811 nan 8.270 nan 0.000 0.420 391 L N 0.739 121.842 121.223 -0.199 0.000 2.046 391 L HA -0.062 4.277 4.340 -0.001 0.000 0.208 391 L C 0.570 177.319 176.870 -0.201 0.000 1.077 391 L CA 0.712 55.441 54.840 -0.185 0.000 0.747 391 L CB 0.151 42.083 42.059 -0.210 0.000 0.896 391 L HN 0.006 nan 8.230 nan 0.000 0.432 392 S N -0.297 115.206 115.700 -0.328 0.000 2.489 392 S HA 0.403 4.873 4.470 -0.001 0.000 0.277 392 S C -0.543 173.985 174.600 -0.121 0.000 1.230 392 S CA -0.529 57.511 58.200 -0.267 0.000 1.053 392 S CB 1.317 64.248 63.200 -0.448 0.000 0.955 392 S HN 0.291 nan 8.310 nan 0.000 0.488 393 Q N 0.701 120.488 119.800 -0.021 0.000 2.683 393 Q HA 0.492 4.832 4.340 -0.001 0.000 0.302 393 Q C -0.968 175.089 176.000 0.095 0.000 1.042 393 Q CA -0.819 55.018 55.803 0.057 0.000 0.773 393 Q CB 0.893 29.683 28.738 0.087 0.000 1.508 393 Q HN 0.619 nan 8.270 nan 0.000 0.459 394 F N 1.640 121.534 119.950 -0.094 0.000 2.607 394 F HA -0.025 4.501 4.527 -0.001 0.000 0.374 394 F C 0.801 176.457 175.800 -0.241 0.000 1.104 394 F CA 0.470 58.400 58.000 -0.117 0.000 1.296 394 F CB 0.509 39.455 39.000 -0.090 0.000 1.085 394 F HN 0.213 nan 8.300 nan 0.000 0.584 395 K N 3.974 124.257 120.400 -0.195 0.000 2.339 395 K HA 0.005 4.324 4.320 -0.001 0.000 0.286 395 K C -0.621 175.839 176.600 -0.233 0.000 1.050 395 K CA -0.559 55.551 56.287 -0.296 0.000 0.956 395 K CB 0.425 32.811 32.500 -0.190 0.000 0.990 395 K HN 0.591 nan 8.250 nan 0.000 0.475 396 D N 4.309 124.502 120.400 -0.345 0.000 2.435 396 D HA -0.008 4.632 4.640 -0.001 0.000 0.230 396 D C -0.669 175.589 176.300 -0.069 0.000 1.215 396 D CA -0.049 53.882 54.000 -0.116 0.000 0.947 396 D CB 0.484 41.291 40.800 0.011 0.000 1.048 396 D HN 0.462 nan 8.370 nan 0.000 0.512 397 E N 2.419 122.569 120.200 -0.084 0.000 2.598 397 E HA 0.070 4.419 4.350 -0.001 0.000 0.233 397 E C 0.857 177.397 176.600 -0.100 0.000 1.173 397 E CA -0.186 56.167 56.400 -0.077 0.000 1.473 397 E CB 0.566 30.216 29.700 -0.084 0.000 1.398 397 E HN 0.463 nan 8.360 nan 0.000 0.431 398 T N 1.052 115.530 114.554 -0.126 0.000 2.720 398 T HA -0.165 4.184 4.350 -0.001 0.000 0.268 398 T C 0.753 175.403 174.700 -0.084 0.000 1.037 398 T CA 1.647 63.632 62.100 -0.192 0.000 1.144 398 T CB -0.201 68.541 68.868 -0.210 0.000 0.864 398 T HN 0.419 nan 8.240 nan 0.000 0.444 399 N N -0.439 118.240 118.700 -0.035 0.000 2.416 399 N HA 0.333 5.072 4.740 -0.001 0.000 0.276 399 N C -2.895 172.614 175.510 -0.001 0.000 1.261 399 N CA -1.988 51.061 53.050 -0.002 0.000 0.790 399 N CB 1.533 40.039 38.487 0.032 0.000 1.554 399 N HN -0.311 nan 8.380 nan 0.000 0.481 400 P HA -0.203 nan 4.420 nan 0.000 0.216 400 P C 1.526 178.832 177.300 0.011 0.000 1.167 400 P CA 1.231 64.330 63.100 -0.001 0.000 0.914 400 P CB 0.087 31.788 31.700 0.000 0.000 0.793 401 L N -0.855 120.383 121.223 0.024 0.000 2.129 401 L HA -0.179 4.161 4.340 -0.001 0.000 0.212 401 L C 2.347 179.237 176.870 0.033 0.000 1.087 401 L CA 2.080 56.938 54.840 0.029 0.000 0.757 401 L CB -1.617 40.465 42.059 0.038 0.000 0.896 401 L HN -0.083 nan 8.230 nan 0.000 0.434 402 S N -1.013 114.707 115.700 0.034 0.000 2.348 402 S HA -0.208 4.261 4.470 -0.001 0.000 0.221 402 S C 2.285 176.919 174.600 0.056 0.000 1.033 402 S CA 1.780 60.006 58.200 0.044 0.000 1.010 402 S CB -0.645 62.572 63.200 0.029 0.000 0.891 402 S HN 0.850 nan 8.310 nan 0.000 0.442 403 S N 1.681 117.398 115.700 0.028 0.000 2.359 403 S HA -0.168 4.302 4.470 -0.001 0.000 0.223 403 S C 1.916 176.545 174.600 0.048 0.000 1.039 403 S CA 1.582 59.797 58.200 0.025 0.000 1.042 403 S CB -1.128 62.062 63.200 -0.016 0.000 0.915 403 S HN 0.434 nan 8.310 nan 0.000 0.439 404 L N 1.862 123.102 121.223 0.028 0.000 2.043 404 L HA -0.054 4.285 4.340 -0.001 0.000 0.212 404 L C 2.859 179.751 176.870 0.037 0.000 1.075 404 L CA 2.025 56.878 54.840 0.023 0.000 0.752 404 L CB -0.687 41.379 42.059 0.011 0.000 0.891 404 L HN 0.357 nan 8.230 nan 0.000 0.432 405 R N -1.849 118.680 120.500 0.048 0.000 2.073 405 R HA -0.176 4.163 4.340 -0.001 0.000 0.229 405 R C 2.327 178.659 176.300 0.053 0.000 1.120 405 R CA 1.125 57.250 56.100 0.041 0.000 0.967 405 R CB -0.496 29.826 30.300 0.037 0.000 0.862 405 R HN 0.532 nan 8.270 nan 0.000 0.436 406 H N 1.171 120.246 119.070 0.008 0.000 2.545 406 H HA -0.020 4.535 4.556 -0.001 0.000 0.282 406 H C 1.062 176.397 175.328 0.011 0.000 1.020 406 H CA 1.157 57.212 56.048 0.012 0.000 1.243 406 H CB 0.400 30.171 29.762 0.015 0.000 1.377 406 H HN 0.191 nan 8.280 nan 0.000 0.581 407 K N 0.103 120.596 120.400 0.154 0.000 2.186 407 K HA -0.020 4.299 4.320 -0.001 0.000 0.202 407 K C 2.061 178.696 176.600 0.058 0.000 1.052 407 K CA 1.016 57.368 56.287 0.109 0.000 0.965 407 K CB 0.304 32.839 32.500 0.059 0.000 0.746 407 K HN 0.351 nan 8.250 nan 0.000 0.457 408 R N 1.436 121.951 120.500 0.026 0.000 2.365 408 R HA 0.124 4.464 4.340 -0.001 0.000 0.223 408 R C 0.288 176.579 176.300 -0.016 0.000 0.899 408 R CA -0.336 55.767 56.100 0.006 0.000 1.059 408 R CB -0.126 30.175 30.300 0.002 0.000 1.086 408 R HN 0.027 nan 8.270 nan 0.000 0.522 409 R N 1.356 121.825 120.500 -0.052 0.000 2.641 409 R HA 0.324 4.663 4.340 -0.001 0.000 0.269 409 R C -0.465 175.798 176.300 -0.062 0.000 1.074 409 R CA -0.323 55.733 56.100 -0.073 0.000 1.133 409 R CB 0.635 30.856 30.300 -0.131 0.000 1.029 409 R HN 0.001 nan 8.270 nan 0.000 0.488 410 I N 1.086 121.629 120.570 -0.045 0.000 2.525 410 I HA 0.289 4.459 4.170 -0.001 0.000 0.301 410 I C 0.069 176.167 176.117 -0.032 0.000 0.992 410 I CA -0.722 60.562 61.300 -0.027 0.000 1.162 410 I CB 2.000 39.998 38.000 -0.004 0.000 1.332 410 I HN 0.808 nan 8.210 nan 0.000 0.458 411 S N 2.996 118.681 115.700 -0.024 0.000 2.667 411 S HA 0.784 5.254 4.470 -0.001 0.000 0.292 411 S C 0.192 174.792 174.600 0.000 0.000 1.126 411 S CA 0.099 58.288 58.200 -0.019 0.000 0.881 411 S CB 1.941 65.123 63.200 -0.030 0.000 1.132 411 S HN 0.696 nan 8.310 nan 0.000 0.492 412 A N 1.411 124.237 122.820 0.010 0.000 1.941 412 A HA 0.438 4.757 4.320 -0.001 0.000 0.214 412 A C 0.566 178.163 177.584 0.022 0.000 1.368 412 A CA 0.594 52.648 52.037 0.029 0.000 0.651 412 A CB -1.497 17.528 19.000 0.042 0.000 1.064 412 A HN 1.080 nan 8.150 nan 0.000 0.492 413 L N -1.726 119.507 121.223 0.016 0.000 2.554 413 L HA 0.493 4.833 4.340 -0.001 0.000 0.293 413 L C 0.605 177.475 176.870 0.000 0.000 1.252 413 L CA 0.829 55.676 54.840 0.011 0.000 0.862 413 L CB -0.802 41.260 42.059 0.005 0.000 1.113 413 L HN 0.650 nan 8.230 nan 0.000 0.510 414 G N 0.620 109.422 108.800 0.004 0.000 2.623 414 G HA2 0.255 4.214 3.960 -0.001 0.000 0.085 414 G HA3 0.255 4.214 3.960 -0.001 0.000 0.085 414 G C -2.146 172.761 174.900 0.012 0.000 1.116 414 G CA 0.184 45.282 45.100 -0.004 0.000 1.200 414 G HN 0.433 nan 8.290 nan 0.000 0.556 415 P HA 0.031 nan 4.420 nan 0.000 0.218 415 P C 1.478 178.806 177.300 0.048 0.000 1.146 415 P CA 3.039 66.167 63.100 0.046 0.000 0.820 415 P CB -0.049 31.684 31.700 0.054 0.000 0.778 416 G N -2.841 105.987 108.800 0.046 0.000 2.258 416 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.233 416 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.233 416 G C 1.316 176.253 174.900 0.061 0.000 1.006 416 G CA 0.202 45.326 45.100 0.040 0.000 0.620 416 G HN 0.538 nan 8.290 nan 0.000 0.511 417 G N 0.502 109.369 108.800 0.112 0.000 2.402 417 G HA2 0.248 4.207 3.960 -0.001 0.000 0.216 417 G HA3 0.248 4.207 3.960 -0.001 0.000 0.216 417 G C 1.583 176.650 174.900 0.278 0.000 1.162 417 G CA 1.656 46.880 45.100 0.205 0.000 0.777 417 G HN 0.531 nan 8.290 nan 0.000 0.539 418 L N 0.343 121.703 121.223 0.228 0.000 1.893 418 L HA 0.246 4.586 4.340 -0.001 0.000 0.218 418 L C 1.510 178.486 176.870 0.177 0.000 1.124 418 L CA 1.458 56.446 54.840 0.247 0.000 0.850 418 L CB -1.122 41.041 42.059 0.173 0.000 0.904 418 L HN 0.125 nan 8.230 nan 0.000 0.462 419 T N 0.339 114.963 114.554 0.116 0.000 2.824 419 T HA 0.516 4.866 4.350 -0.001 0.000 0.282 419 T C -0.054 174.677 174.700 0.052 0.000 0.993 419 T CA -0.714 61.437 62.100 0.085 0.000 0.967 419 T CB 0.839 69.758 68.868 0.085 0.000 0.960 419 T HN 0.153 nan 8.240 nan 0.000 0.441 420 R N 2.347 122.869 120.500 0.038 0.000 2.541 420 R HA 0.347 4.686 4.340 -0.001 0.000 0.263 420 R C 1.132 177.446 176.300 0.025 0.000 1.112 420 R CA -0.552 55.560 56.100 0.021 0.000 1.170 420 R CB 0.596 30.899 30.300 0.005 0.000 1.167 420 R HN 0.806 nan 8.270 nan 0.000 0.582 421 E N 0.370 120.580 120.200 0.018 0.000 2.190 421 E HA -0.063 4.286 4.350 -0.001 0.000 0.191 421 E C 1.210 177.824 176.600 0.023 0.000 0.978 421 E CA 0.867 57.279 56.400 0.020 0.000 0.839 421 E CB 0.333 30.040 29.700 0.013 0.000 0.787 421 E HN 0.236 nan 8.360 nan 0.000 0.473 422 R N -0.296 120.215 120.500 0.018 0.000 2.334 422 R HA 0.315 4.654 4.340 -0.001 0.000 0.220 422 R C -0.655 175.665 176.300 0.032 0.000 0.917 422 R CA 0.437 56.549 56.100 0.020 0.000 1.073 422 R CB 0.786 31.092 30.300 0.010 0.000 1.056 422 R HN 0.021 nan 8.270 nan 0.000 0.506 423 A N -0.378 122.466 122.820 0.039 0.000 2.690 423 A HA 0.550 4.870 4.320 -0.001 0.000 0.342 423 A C 0.673 178.301 177.584 0.072 0.000 1.410 423 A CA -0.301 51.768 52.037 0.053 0.000 0.958 423 A CB 0.557 19.583 19.000 0.043 0.000 1.153 423 A HN 0.371 nan 8.150 nan 0.000 0.497 424 G N -0.351 108.509 108.800 0.100 0.000 2.512 424 G HA2 0.091 4.050 3.960 -0.001 0.000 0.193 424 G HA3 0.091 4.050 3.960 -0.001 0.000 0.193 424 G C 1.089 176.106 174.900 0.195 0.000 1.278 424 G CA 0.365 45.538 45.100 0.121 0.000 0.722 424 G HN 0.549 nan 8.290 nan 0.000 0.925 425 F N 2.865 122.831 119.950 0.027 0.000 2.111 425 F HA -0.274 4.253 4.527 -0.001 0.000 0.300 425 F C 2.672 178.492 175.800 0.035 0.000 1.088 425 F CA 2.060 60.078 58.000 0.030 0.000 1.243 425 F CB 0.347 39.362 39.000 0.025 0.000 0.996 425 F HN 0.307 nan 8.300 nan 0.000 0.483 426 D N -0.190 120.240 120.400 0.050 0.000 2.162 426 D HA -0.131 4.508 4.640 -0.001 0.000 0.203 426 D C 1.921 178.202 176.300 -0.031 0.000 0.967 426 D CA 1.655 55.608 54.000 -0.079 0.000 0.840 426 D CB -0.879 39.895 40.800 -0.043 0.000 0.972 426 D HN 0.338 nan 8.370 nan 0.000 0.482 427 V N 0.537 120.473 119.914 0.036 0.000 2.379 427 V HA -0.094 4.026 4.120 -0.001 0.000 0.245 427 V C 2.677 178.830 176.094 0.098 0.000 1.044 427 V CA 1.101 63.441 62.300 0.065 0.000 1.036 427 V CB -0.967 30.902 31.823 0.076 0.000 0.664 427 V HN -0.044 nan 8.190 nan 0.000 0.453 428 R N 0.880 121.441 120.500 0.102 0.000 2.127 428 R HA -0.067 4.273 4.340 -0.001 0.000 0.238 428 R C 0.682 177.045 176.300 0.104 0.000 1.134 428 R CA 1.003 57.170 56.100 0.112 0.000 0.975 428 R CB -0.516 29.878 30.300 0.158 0.000 0.865 428 R HN 0.628 nan 8.270 nan 0.000 0.447 429 D N 0.026 120.469 120.400 0.071 0.000 2.378 429 D HA -0.041 4.599 4.640 -0.001 0.000 0.238 429 D C -0.297 176.103 176.300 0.167 0.000 1.180 429 D CA 0.055 54.095 54.000 0.066 0.000 0.895 429 D CB 1.001 41.792 40.800 -0.015 0.000 1.192 429 D HN -0.140 nan 8.370 nan 0.000 0.438 430 V N 2.949 122.969 119.914 0.176 0.000 2.338 430 V HA -0.014 4.105 4.120 -0.001 0.000 0.255 430 V C 0.021 176.316 176.094 0.335 0.000 1.082 430 V CA -0.215 62.270 62.300 0.309 0.000 0.951 430 V CB -0.510 31.428 31.823 0.192 0.000 1.102 430 V HN 0.435 nan 8.190 nan 0.000 0.489 431 H N 6.255 125.482 119.070 0.261 0.000 2.836 431 H HA 0.235 4.791 4.556 -0.001 0.000 0.368 431 H C 1.507 176.755 175.328 -0.134 0.000 1.164 431 H CA 0.354 56.327 56.048 -0.126 0.000 1.425 431 H CB 0.864 30.366 29.762 -0.433 0.000 1.414 431 H HN 0.637 nan 8.280 nan 0.000 0.614 432 R N 1.678 121.627 120.500 -0.918 0.000 2.115 432 R HA -0.139 4.201 4.340 -0.001 0.000 0.239 432 R C 1.847 177.885 176.300 -0.436 0.000 1.133 432 R CA 2.150 57.883 56.100 -0.611 0.000 0.935 432 R CB -1.312 28.582 30.300 -0.676 0.000 0.853 432 R HN 0.664 nan 8.270 nan 0.000 0.433 433 T N 0.590 114.782 114.554 -0.603 0.000 3.025 433 T HA -0.089 4.261 4.350 -0.001 0.000 0.270 433 T C 1.233 175.874 174.700 -0.098 0.000 1.126 433 T CA 0.918 62.806 62.100 -0.354 0.000 1.105 433 T CB -0.380 68.168 68.868 -0.533 0.000 0.884 433 T HN 0.507 nan 8.240 nan 0.000 0.522 434 H N -0.575 118.482 119.070 -0.022 0.000 2.567 434 H HA 0.043 4.599 4.556 -0.001 0.000 0.276 434 H C 0.273 175.658 175.328 0.096 0.000 1.016 434 H CA -0.418 55.661 56.048 0.053 0.000 1.186 434 H CB -0.143 29.661 29.762 0.071 0.000 1.351 434 H HN 0.265 nan 8.280 nan 0.000 0.605 435 Y N 1.266 121.584 120.300 0.030 0.000 2.650 435 Y HA 0.052 4.602 4.550 -0.001 0.000 0.331 435 Y C 1.474 177.346 175.900 -0.047 0.000 1.165 435 Y CA 0.392 58.480 58.100 -0.019 0.000 1.473 435 Y CB -0.147 38.297 38.460 -0.026 0.000 1.224 435 Y HN 0.397 nan 8.280 nan 0.000 0.533 436 G N 5.205 113.827 108.800 -0.297 0.000 2.216 436 G HA2 -0.417 3.542 3.960 -0.001 0.000 0.269 436 G HA3 -0.417 3.542 3.960 -0.001 0.000 0.269 436 G C 1.385 176.194 174.900 -0.152 0.000 0.981 436 G CA 1.147 46.025 45.100 -0.369 0.000 0.658 436 G HN 0.679 nan 8.290 nan 0.000 0.539 437 R N -1.215 119.264 120.500 -0.035 0.000 2.221 437 R HA 0.538 4.877 4.340 -0.001 0.000 0.195 437 R C 0.245 176.581 176.300 0.060 0.000 0.956 437 R CA 0.623 56.746 56.100 0.038 0.000 1.064 437 R CB 0.616 30.974 30.300 0.098 0.000 1.049 437 R HN 0.410 nan 8.270 nan 0.000 0.534 438 I N -0.745 119.863 120.570 0.064 0.000 2.644 438 I HA 0.140 4.309 4.170 -0.001 0.000 0.291 438 I C -0.820 175.320 176.117 0.037 0.000 1.180 438 I CA -0.714 60.593 61.300 0.013 0.000 1.040 438 I CB 1.961 39.883 38.000 -0.129 0.000 1.255 438 I HN -0.008 nan 8.210 nan 0.000 0.422 439 C N 7.424 126.757 119.300 0.055 0.000 2.642 439 C HA 0.237 4.697 4.460 -0.001 0.000 0.420 439 C C -1.083 173.978 174.990 0.117 0.000 1.349 439 C CA -0.488 58.614 59.018 0.139 0.000 1.821 439 C CB 0.317 28.140 27.740 0.137 0.000 2.637 439 C HN 0.642 nan 8.230 nan 0.000 0.605 440 P HA 0.099 nan 4.420 nan 0.000 0.261 440 P C 0.699 178.071 177.300 0.120 0.000 1.268 440 P CA 0.574 63.767 63.100 0.155 0.000 0.833 440 P CB 0.185 32.015 31.700 0.218 0.000 1.231 441 V N -0.491 119.492 119.914 0.115 0.000 3.013 441 V HA 0.055 4.174 4.120 -0.001 0.000 0.238 441 V C 2.258 178.377 176.094 0.040 0.000 1.161 441 V CA 0.706 63.041 62.300 0.058 0.000 1.170 441 V CB -0.811 31.017 31.823 0.007 0.000 0.917 441 V HN 0.040 nan 8.190 nan 0.000 0.478 442 E N 0.918 121.145 120.200 0.045 0.000 2.455 442 E HA -0.135 4.215 4.350 -0.001 0.000 0.202 442 E C 1.211 177.821 176.600 0.017 0.000 1.045 442 E CA 0.685 57.101 56.400 0.028 0.000 0.872 442 E CB -0.161 29.557 29.700 0.031 0.000 0.792 442 E HN 0.559 nan 8.360 nan 0.000 0.542 443 T N 0.405 114.968 114.554 0.016 0.000 2.856 443 T HA 0.164 4.513 4.350 -0.001 0.000 0.306 443 T C -2.497 172.213 174.700 0.017 0.000 1.062 443 T CA -1.839 60.267 62.100 0.010 0.000 1.083 443 T CB 0.752 69.627 68.868 0.011 0.000 0.984 443 T HN -0.107 nan 8.240 nan 0.000 0.542 444 P HA 0.252 nan 4.420 nan 0.000 0.279 444 P C -0.589 176.726 177.300 0.025 0.000 1.239 444 P CA -0.392 62.720 63.100 0.020 0.000 0.789 444 P CB 0.457 32.167 31.700 0.017 0.000 0.933 445 E N 2.051 122.267 120.200 0.027 0.000 2.290 445 E HA 0.471 4.820 4.350 -0.001 0.000 0.277 445 E C 0.671 177.286 176.600 0.025 0.000 1.035 445 E CA 0.622 57.039 56.400 0.028 0.000 0.873 445 E CB 0.570 30.286 29.700 0.027 0.000 1.029 445 E HN 0.710 nan 8.360 nan 0.000 0.419 446 G N 1.260 110.075 108.800 0.024 0.000 2.353 446 G HA2 0.060 4.020 3.960 -0.001 0.000 0.424 446 G HA3 0.060 4.020 3.960 -0.001 0.000 0.424 446 G C 0.518 175.430 174.900 0.020 0.000 1.320 446 G CA -0.148 44.964 45.100 0.020 0.000 0.995 446 G HN 0.437 nan 8.290 nan 0.000 0.580 447 A N -0.191 122.638 122.820 0.015 0.000 1.903 447 A HA -0.080 4.239 4.320 -0.001 0.000 0.219 447 A C 1.502 179.097 177.584 0.020 0.000 1.191 447 A CA 2.352 54.397 52.037 0.014 0.000 0.638 447 A CB -0.569 18.436 19.000 0.008 0.000 0.823 447 A HN 0.921 nan 8.150 nan 0.000 0.451 448 N N -0.063 118.648 118.700 0.018 0.000 3.178 448 N HA 0.369 5.108 4.740 -0.001 0.000 0.300 448 N C -0.662 174.861 175.510 0.023 0.000 1.242 448 N CA 0.169 53.230 53.050 0.019 0.000 1.192 448 N CB -0.092 38.403 38.487 0.013 0.000 1.463 448 N HN 0.604 nan 8.380 nan 0.000 0.539 449 I N -1.342 119.247 120.570 0.032 0.000 2.525 449 I HA 0.483 4.652 4.170 -0.001 0.000 0.301 449 I C 1.284 177.427 176.117 0.043 0.000 0.992 449 I CA -0.044 61.278 61.300 0.036 0.000 1.162 449 I CB 1.075 39.101 38.000 0.044 0.000 1.332 449 I HN 0.486 nan 8.210 nan 0.000 0.458 450 G N 5.667 114.488 108.800 0.034 0.000 2.451 450 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.253 450 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.253 450 G C 0.873 175.785 174.900 0.020 0.000 1.033 450 G CA 0.865 45.983 45.100 0.030 0.000 0.633 450 G HN 0.574 nan 8.290 nan 0.000 0.537 451 L N -0.519 120.721 121.223 0.028 0.000 2.093 451 L HA 0.203 4.542 4.340 -0.001 0.000 0.208 451 L C 1.064 177.938 176.870 0.007 0.000 1.085 451 L CA 0.727 55.582 54.840 0.025 0.000 0.755 451 L CB -0.215 41.861 42.059 0.028 0.000 0.904 451 L HN 0.224 nan 8.230 nan 0.000 0.435 452 I N 0.011 120.579 120.570 -0.003 0.000 2.328 452 I HA 0.232 4.401 4.170 -0.001 0.000 0.287 452 I C 0.111 176.211 176.117 -0.028 0.000 1.012 452 I CA 0.269 61.556 61.300 -0.021 0.000 1.195 452 I CB 1.449 39.434 38.000 -0.025 0.000 1.350 452 I HN -0.148 nan 8.210 nan 0.000 0.464 453 T N 4.160 118.692 114.554 -0.037 0.000 2.993 453 T HA 0.496 4.846 4.350 -0.001 0.000 0.312 453 T C -0.425 174.252 174.700 -0.039 0.000 1.115 453 T CA -0.470 61.607 62.100 -0.038 0.000 1.027 453 T CB 0.901 69.738 68.868 -0.051 0.000 1.116 453 T HN 0.365 nan 8.240 nan 0.000 0.464 454 S N 3.190 118.871 115.700 -0.031 0.000 2.576 454 S HA 0.481 4.951 4.470 -0.001 0.000 0.276 454 S C 0.524 175.121 174.600 -0.005 0.000 1.339 454 S CA -0.709 57.477 58.200 -0.023 0.000 1.039 454 S CB 0.030 63.221 63.200 -0.015 0.000 0.902 454 S HN 0.770 nan 8.310 nan 0.000 0.516 455 L N 1.513 122.737 121.223 0.002 0.000 2.479 455 L HA 0.829 5.169 4.340 -0.001 0.000 0.249 455 L C 0.492 177.377 176.870 0.026 0.000 1.178 455 L CA -0.618 54.231 54.840 0.015 0.000 0.811 455 L CB -0.245 41.825 42.059 0.019 0.000 1.187 455 L HN 0.581 nan 8.230 nan 0.000 0.480 456 A N 0.408 123.246 122.820 0.031 0.000 2.267 456 A HA 0.665 4.985 4.320 -0.001 0.000 0.271 456 A C 1.480 179.095 177.584 0.051 0.000 1.131 456 A CA 0.100 52.159 52.037 0.037 0.000 0.818 456 A CB -0.357 18.645 19.000 0.003 0.000 1.118 456 A HN 1.253 nan 8.150 nan 0.000 0.501 457 A N -0.699 122.168 122.820 0.078 0.000 1.862 457 A HA -0.127 4.193 4.320 -0.001 0.000 0.214 457 A C 1.607 179.275 177.584 0.140 0.000 1.228 457 A CA 2.240 54.357 52.037 0.134 0.000 0.665 457 A CB -1.192 17.961 19.000 0.256 0.000 0.845 457 A HN 0.867 nan 8.150 nan 0.000 0.459 458 Y N -0.027 120.254 120.300 -0.033 0.000 2.466 458 Y HA 0.501 5.051 4.550 -0.001 0.000 0.272 458 Y C 1.525 177.481 175.900 0.093 0.000 1.169 458 Y CA -0.592 57.530 58.100 0.036 0.000 1.285 458 Y CB -0.941 37.521 38.460 0.004 0.000 1.078 458 Y HN 0.371 nan 8.280 nan 0.000 0.523 459 A N 2.119 125.040 122.820 0.170 0.000 2.567 459 A HA 0.288 4.608 4.320 -0.001 0.000 0.240 459 A C 0.516 178.157 177.584 0.095 0.000 1.053 459 A CA 0.012 52.117 52.037 0.113 0.000 0.755 459 A CB -0.306 18.728 19.000 0.057 0.000 0.978 459 A HN 0.546 nan 8.150 nan 0.000 0.507 460 R N 1.135 121.690 120.500 0.091 0.000 2.548 460 R HA 0.556 4.895 4.340 -0.001 0.000 0.280 460 R C -1.692 174.608 176.300 -0.001 0.000 1.061 460 R CA -0.821 55.279 56.100 -0.000 0.000 0.915 460 R CB 0.888 31.112 30.300 -0.128 0.000 1.210 460 R HN 0.277 nan 8.270 nan 0.000 0.442 461 V N 4.281 124.186 119.914 -0.015 0.000 2.479 461 V HA -0.019 4.100 4.120 -0.001 0.000 0.281 461 V C 0.644 176.711 176.094 -0.045 0.000 1.031 461 V CA 0.123 62.412 62.300 -0.018 0.000 1.038 461 V CB 0.334 32.142 31.823 -0.026 0.000 0.981 461 V HN 1.012 nan 8.190 nan 0.000 0.478 462 D N 4.270 124.649 120.400 -0.036 0.000 2.089 462 D HA -0.048 4.592 4.640 -0.001 0.000 0.246 462 D C 1.256 177.517 176.300 -0.065 0.000 1.015 462 D CA 0.764 54.736 54.000 -0.046 0.000 0.917 462 D CB 0.203 41.001 40.800 -0.003 0.000 1.015 462 D HN 0.458 nan 8.370 nan 0.000 0.425 463 E N -1.157 118.995 120.200 -0.080 0.000 2.306 463 E HA 0.214 4.564 4.350 -0.001 0.000 0.201 463 E C 0.007 176.521 176.600 -0.144 0.000 0.874 463 E CA -0.144 56.202 56.400 -0.090 0.000 0.972 463 E CB 0.880 30.536 29.700 -0.073 0.000 0.957 463 E HN 0.157 nan 8.360 nan 0.000 0.492 464 L N 0.289 121.365 121.223 -0.246 0.000 2.406 464 L HA 0.429 4.769 4.340 -0.001 0.000 0.270 464 L C 0.463 176.885 176.870 -0.748 0.000 0.982 464 L CA -0.155 54.434 54.840 -0.419 0.000 0.843 464 L CB 1.515 43.296 42.059 -0.463 0.000 1.225 464 L HN 0.192 nan 8.230 nan 0.000 0.412 465 G N 3.672 112.184 108.800 -0.480 0.000 2.372 465 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.330 465 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.330 465 G C -0.085 174.584 174.900 -0.385 0.000 0.768 465 G CA 0.786 45.662 45.100 -0.372 0.000 0.794 465 G HN 0.338 nan 8.290 nan 0.000 0.495 466 F N -0.174 119.765 119.950 -0.020 0.000 2.332 466 F HA 0.435 4.962 4.527 -0.001 0.000 0.368 466 F C 0.908 176.721 175.800 0.021 0.000 1.110 466 F CA -2.402 55.597 58.000 -0.001 0.000 1.087 466 F CB 0.879 39.841 39.000 -0.064 0.000 1.235 466 F HN -0.046 nan 8.300 nan 0.000 0.470 467 I N 5.068 125.771 120.570 0.222 0.000 2.671 467 I HA 0.013 4.183 4.170 -0.001 0.000 0.285 467 I C 0.742 176.939 176.117 0.133 0.000 1.148 467 I CA 0.487 61.873 61.300 0.143 0.000 1.386 467 I CB -0.022 38.055 38.000 0.129 0.000 1.406 467 I HN 0.556 nan 8.210 nan 0.000 0.540 468 R N 3.794 124.365 120.500 0.119 0.000 2.700 468 R HA 0.689 5.028 4.340 -0.001 0.000 0.253 468 R C -0.160 176.181 176.300 0.069 0.000 1.091 468 R CA -0.601 55.562 56.100 0.106 0.000 1.104 468 R CB 1.863 32.255 30.300 0.154 0.000 1.202 468 R HN 0.499 nan 8.270 nan 0.000 0.532 469 T N 1.119 115.627 114.554 -0.076 0.000 2.868 469 T HA 0.431 4.781 4.350 -0.001 0.000 0.306 469 T C -2.804 171.500 174.700 -0.661 0.000 1.224 469 T CA -1.809 60.116 62.100 -0.293 0.000 1.012 469 T CB 1.877 70.456 68.868 -0.482 0.000 1.221 469 T HN 0.362 nan 8.240 nan 0.000 0.499 470 P HA 0.371 nan 4.420 nan 0.000 0.284 470 P C -1.623 175.270 177.300 -0.678 0.000 1.253 470 P CA -0.271 62.226 63.100 -1.005 0.000 0.800 470 P CB 0.531 31.603 31.700 -1.046 0.000 0.961 471 Y N 1.556 121.666 120.300 -0.317 0.000 2.361 471 Y HA 0.304 4.853 4.550 -0.001 0.000 0.328 471 Y C 0.895 176.796 175.900 0.002 0.000 1.044 471 Y CA -1.177 56.836 58.100 -0.144 0.000 1.085 471 Y CB 2.481 40.854 38.460 -0.145 0.000 1.194 471 Y HN 0.214 nan 8.280 nan 0.000 0.438 472 R N 1.816 122.424 120.500 0.180 0.000 2.459 472 R HA 0.516 4.855 4.340 -0.001 0.000 0.281 472 R C -0.400 175.947 176.300 0.080 0.000 1.050 472 R CA -1.056 55.108 56.100 0.107 0.000 1.055 472 R CB 1.160 31.472 30.300 0.020 0.000 1.045 472 R HN 0.540 nan 8.270 nan 0.000 0.495 473 R N 0.985 121.446 120.500 -0.065 0.000 2.594 473 R HA 0.220 4.559 4.340 -0.001 0.000 0.272 473 R C -0.857 175.234 176.300 -0.348 0.000 1.074 473 R CA -0.246 55.592 56.100 -0.438 0.000 1.105 473 R CB 1.020 31.135 30.300 -0.309 0.000 1.008 473 R HN 0.515 nan 8.270 nan 0.000 0.472 474 V N 5.685 125.312 119.914 -0.478 0.000 2.637 474 V HA 0.319 4.438 4.120 -0.001 0.000 0.274 474 V C -1.467 174.470 176.094 -0.262 0.000 1.004 474 V CA -0.696 61.438 62.300 -0.276 0.000 0.894 474 V CB 1.704 33.414 31.823 -0.189 0.000 1.046 474 V HN 0.577 nan 8.190 nan 0.000 0.467 475 V N 8.084 127.881 119.914 -0.196 0.000 2.427 475 V HA 0.760 4.880 4.120 -0.001 0.000 0.268 475 V C 1.387 177.428 176.094 -0.088 0.000 1.046 475 V CA 1.300 63.517 62.300 -0.137 0.000 0.970 475 V CB 0.292 32.052 31.823 -0.105 0.000 1.001 475 V HN 1.655 nan 8.190 nan 0.000 0.476 476 G N 5.130 113.888 108.800 -0.070 0.000 2.601 476 G HA2 -0.142 3.818 3.960 -0.001 0.000 0.252 476 G HA3 -0.142 3.818 3.960 -0.001 0.000 0.252 476 G C 0.741 175.611 174.900 -0.049 0.000 1.294 476 G CA -0.171 44.901 45.100 -0.047 0.000 0.912 476 G HN 1.452 nan 8.290 nan 0.000 0.574 477 G N -0.904 107.874 108.800 -0.036 0.000 3.340 477 G HA2 0.474 4.434 3.960 -0.001 0.000 0.240 477 G HA3 0.474 4.434 3.960 -0.001 0.000 0.240 477 G C 0.065 174.943 174.900 -0.037 0.000 1.327 477 G CA 0.941 46.021 45.100 -0.033 0.000 1.170 477 G HN 1.224 nan 8.290 nan 0.000 0.520 478 V N 1.186 121.070 119.914 -0.050 0.000 2.444 478 V HA 0.340 4.459 4.120 -0.001 0.000 0.294 478 V C 0.162 176.215 176.094 -0.069 0.000 1.022 478 V CA -0.961 61.309 62.300 -0.050 0.000 0.850 478 V CB 1.787 33.584 31.823 -0.044 0.000 0.992 478 V HN 0.213 nan 8.190 nan 0.000 0.426 479 V N 2.511 122.390 119.914 -0.057 0.000 2.509 479 V HA 0.741 4.860 4.120 -0.001 0.000 0.284 479 V C 0.253 176.314 176.094 -0.056 0.000 1.047 479 V CA -0.137 62.124 62.300 -0.064 0.000 0.952 479 V CB 1.079 32.876 31.823 -0.043 0.000 0.988 479 V HN 0.817 nan 8.190 nan 0.000 0.469 480 T N 2.269 116.782 114.554 -0.067 0.000 2.948 480 T HA 0.427 4.777 4.350 -0.001 0.000 0.285 480 T C -0.036 174.648 174.700 -0.027 0.000 1.019 480 T CA -0.362 61.709 62.100 -0.048 0.000 1.013 480 T CB 1.512 70.344 68.868 -0.059 0.000 1.117 480 T HN 0.736 nan 8.240 nan 0.000 0.533 481 D N 0.346 120.737 120.400 -0.014 0.000 2.342 481 D HA 0.142 4.782 4.640 -0.001 0.000 0.221 481 D C 0.302 176.607 176.300 0.008 0.000 1.101 481 D CA 0.115 54.114 54.000 -0.001 0.000 0.837 481 D CB 0.300 41.102 40.800 0.003 0.000 0.938 481 D HN 0.440 nan 8.370 nan 0.000 0.508 482 E N 0.308 120.510 120.200 0.003 0.000 2.266 482 E HA 0.410 4.759 4.350 -0.001 0.000 0.277 482 E C -0.687 175.933 176.600 0.034 0.000 1.018 482 E CA -0.442 55.969 56.400 0.019 0.000 0.840 482 E CB 2.270 31.975 29.700 0.009 0.000 1.082 482 E HN -0.169 nan 8.360 nan 0.000 0.395 483 V N 2.594 122.541 119.914 0.054 0.000 2.876 483 V HA 0.363 4.482 4.120 -0.001 0.000 0.312 483 V C -0.609 175.530 176.094 0.076 0.000 1.085 483 V CA -0.859 61.469 62.300 0.048 0.000 0.945 483 V CB 2.254 34.076 31.823 -0.003 0.000 1.017 483 V HN 0.380 nan 8.190 nan 0.000 0.428 484 V N 3.329 123.279 119.914 0.060 0.000 2.443 484 V HA 0.374 4.494 4.120 -0.001 0.000 0.293 484 V C -1.096 174.980 176.094 -0.030 0.000 1.021 484 V CA -0.729 61.616 62.300 0.075 0.000 0.848 484 V CB 1.480 33.363 31.823 0.100 0.000 0.998 484 V HN 0.762 nan 8.190 nan 0.000 0.424 485 Y N 4.992 125.294 120.300 0.003 0.000 2.637 485 Y HA 0.280 4.830 4.550 -0.001 0.000 0.350 485 Y C 0.462 176.344 175.900 -0.030 0.000 1.069 485 Y CA 0.402 58.483 58.100 -0.032 0.000 1.397 485 Y CB 0.697 39.149 38.460 -0.013 0.000 1.163 485 Y HN 0.640 nan 8.280 nan 0.000 0.527 486 M N 2.780 122.377 119.600 -0.004 0.000 2.264 486 M HA 0.324 4.803 4.480 -0.001 0.000 0.352 486 M C 0.055 176.393 176.300 0.063 0.000 1.173 486 M CA -0.043 55.272 55.300 0.025 0.000 1.075 486 M CB 0.793 33.408 32.600 0.024 0.000 1.621 486 M HN 0.481 nan 8.290 nan 0.000 0.457 487 T N 3.518 118.133 114.554 0.101 0.000 2.856 487 T HA 0.240 4.590 4.350 -0.001 0.000 0.306 487 T C 1.251 176.027 174.700 0.126 0.000 1.062 487 T CA 0.253 62.425 62.100 0.120 0.000 1.083 487 T CB 1.024 69.967 68.868 0.125 0.000 0.984 487 T HN 0.828 nan 8.240 nan 0.000 0.542 488 A N 2.042 124.942 122.820 0.133 0.000 1.908 488 A HA -0.153 4.167 4.320 -0.001 0.000 0.218 488 A C 2.453 180.183 177.584 0.243 0.000 1.181 488 A CA 2.329 54.462 52.037 0.160 0.000 0.627 488 A CB -1.418 17.678 19.000 0.161 0.000 0.818 488 A HN 0.942 nan 8.150 nan 0.000 0.445 489 T N -1.511 113.154 114.554 0.185 0.000 2.770 489 T HA -0.118 4.232 4.350 -0.001 0.000 0.263 489 T C 1.629 176.391 174.700 0.103 0.000 1.039 489 T CA 1.291 63.460 62.100 0.114 0.000 1.142 489 T CB -0.533 68.336 68.868 0.001 0.000 0.868 489 T HN 0.635 nan 8.240 nan 0.000 0.435 490 E N 1.534 121.804 120.200 0.117 0.000 2.118 490 E HA -0.216 4.133 4.350 -0.001 0.000 0.195 490 E C 2.257 178.964 176.600 0.177 0.000 0.992 490 E CA 1.413 57.890 56.400 0.128 0.000 0.804 490 E CB -0.270 29.526 29.700 0.159 0.000 0.741 490 E HN 0.825 nan 8.360 nan 0.000 0.458 491 E N 1.670 121.987 120.200 0.195 0.000 2.171 491 E HA -0.255 4.094 4.350 -0.001 0.000 0.197 491 E C 1.037 177.737 176.600 0.166 0.000 0.997 491 E CA 1.905 58.441 56.400 0.226 0.000 0.810 491 E CB -0.012 29.865 29.700 0.295 0.000 0.738 491 E HN 0.208 nan 8.360 nan 0.000 0.467 492 D N 0.071 120.549 120.400 0.131 0.000 2.149 492 D HA -0.100 4.539 4.640 -0.001 0.000 0.201 492 D C 1.829 178.127 176.300 -0.003 0.000 0.972 492 D CA 1.228 55.275 54.000 0.077 0.000 0.835 492 D CB -0.056 40.802 40.800 0.098 0.000 0.966 492 D HN 0.248 nan 8.370 nan 0.000 0.476 493 R N -0.626 119.826 120.500 -0.080 0.000 2.200 493 R HA -0.062 4.278 4.340 -0.001 0.000 0.234 493 R C 0.134 176.202 176.300 -0.386 0.000 1.127 493 R CA 0.723 56.657 56.100 -0.276 0.000 0.989 493 R CB -0.280 29.744 30.300 -0.461 0.000 0.869 493 R HN 0.290 nan 8.270 nan 0.000 0.459 494 Y N -0.766 119.520 120.300 -0.024 0.000 2.602 494 Y HA 0.283 4.832 4.550 -0.001 0.000 0.330 494 Y C 0.469 176.359 175.900 -0.017 0.000 1.114 494 Y CA -1.117 56.984 58.100 0.003 0.000 1.182 494 Y CB 1.478 39.941 38.460 0.004 0.000 1.305 494 Y HN -0.321 nan 8.280 nan 0.000 0.502 495 T N 3.271 117.954 114.554 0.215 0.000 3.016 495 T HA 0.430 4.780 4.350 -0.001 0.000 0.335 495 T C -0.536 174.206 174.700 0.070 0.000 1.176 495 T CA -0.287 61.871 62.100 0.098 0.000 0.987 495 T CB -0.942 67.971 68.868 0.074 0.000 1.073 495 T HN 0.194 nan 8.240 nan 0.000 0.547 496 I N 2.827 123.389 120.570 -0.015 0.000 2.428 496 I HA 0.640 4.809 4.170 -0.001 0.000 0.296 496 I C 0.552 176.645 176.117 -0.039 0.000 0.985 496 I CA -0.421 60.818 61.300 -0.101 0.000 1.260 496 I CB 1.241 39.014 38.000 -0.379 0.000 1.389 496 I HN 0.547 nan 8.210 nan 0.000 0.484 497 A N 4.315 127.123 122.820 -0.020 0.000 2.322 497 A HA 0.730 5.050 4.320 -0.001 0.000 0.327 497 A C -0.476 177.134 177.584 0.043 0.000 1.134 497 A CA -0.624 51.419 52.037 0.009 0.000 0.831 497 A CB 1.110 20.111 19.000 0.002 0.000 1.288 497 A HN 0.544 nan 8.150 nan 0.000 0.472 498 Q N -0.350 119.478 119.800 0.047 0.000 2.317 498 Q HA 0.494 4.834 4.340 -0.001 0.000 0.229 498 Q C 1.187 177.220 176.000 0.055 0.000 0.984 498 Q CA 0.460 56.305 55.803 0.070 0.000 0.911 498 Q CB 1.480 30.251 28.738 0.055 0.000 1.217 498 Q HN 0.813 nan 8.270 nan 0.000 0.501 499 A N 2.771 125.630 122.820 0.065 0.000 2.014 499 A HA -0.144 4.175 4.320 -0.001 0.000 0.218 499 A C 1.253 178.867 177.584 0.051 0.000 1.163 499 A CA 1.412 53.479 52.037 0.050 0.000 0.652 499 A CB -0.501 18.527 19.000 0.047 0.000 0.808 499 A HN 0.896 nan 8.150 nan 0.000 0.449 500 N N 0.794 119.531 118.700 0.062 0.000 2.588 500 N HA -0.071 4.668 4.740 -0.001 0.000 0.190 500 N C 0.138 175.672 175.510 0.039 0.000 1.094 500 N CA 0.745 53.830 53.050 0.058 0.000 0.921 500 N CB -0.510 38.009 38.487 0.053 0.000 0.959 500 N HN 0.581 nan 8.380 nan 0.000 0.448 501 T N 0.698 115.270 114.554 0.030 0.000 2.831 501 T HA 0.116 4.466 4.350 -0.001 0.000 0.291 501 T C -2.472 172.240 174.700 0.020 0.000 0.981 501 T CA -1.528 60.584 62.100 0.020 0.000 1.174 501 T CB 0.579 69.454 68.868 0.013 0.000 0.929 501 T HN -0.081 nan 8.240 nan 0.000 0.532 502 P HA 0.325 nan 4.420 nan 0.000 0.263 502 P C -0.750 176.558 177.300 0.014 0.000 1.195 502 P CA -0.132 62.980 63.100 0.019 0.000 0.762 502 P CB 0.314 32.025 31.700 0.018 0.000 0.799 503 L N 2.998 124.230 121.223 0.015 0.000 2.431 503 L HA 0.262 4.602 4.340 -0.001 0.000 0.266 503 L C 0.905 177.781 176.870 0.010 0.000 0.978 503 L CA -0.211 54.634 54.840 0.009 0.000 0.822 503 L CB 2.348 44.411 42.059 0.007 0.000 1.310 503 L HN 0.313 nan 8.230 nan 0.000 0.409 504 E N 1.585 121.788 120.200 0.006 0.000 2.474 504 E HA 0.266 4.616 4.350 -0.001 0.000 0.195 504 E C 0.879 177.482 176.600 0.005 0.000 1.039 504 E CA 0.603 57.007 56.400 0.007 0.000 0.881 504 E CB 0.839 30.542 29.700 0.005 0.000 0.970 504 E HN 0.919 nan 8.360 nan 0.000 0.486 505 G N 1.380 110.182 108.800 0.003 0.000 3.714 505 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.146 505 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.146 505 G C 0.430 175.327 174.900 -0.005 0.000 2.286 505 G CA -0.246 44.854 45.100 0.000 0.000 1.218 505 G HN 0.134 nan 8.290 nan 0.000 0.362 506 N N -0.145 118.549 118.700 -0.009 0.000 2.143 506 N HA 0.346 5.086 4.740 -0.001 0.000 0.222 506 N C 0.276 175.774 175.510 -0.019 0.000 1.264 506 N CA -0.123 52.917 53.050 -0.017 0.000 0.897 506 N CB 1.346 39.821 38.487 -0.019 0.000 1.092 506 N HN 0.317 nan 8.380 nan 0.000 0.516 507 R N 1.354 121.846 120.500 -0.012 0.000 2.338 507 R HA 0.351 4.690 4.340 -0.001 0.000 0.317 507 R C -0.278 176.016 176.300 -0.010 0.000 0.968 507 R CA -0.532 55.561 56.100 -0.012 0.000 0.849 507 R CB 0.416 30.711 30.300 -0.008 0.000 1.128 507 R HN -0.090 nan 8.270 nan 0.000 0.448 508 I N 2.875 123.437 120.570 -0.013 0.000 2.993 508 I HA 0.009 4.178 4.170 -0.001 0.000 0.286 508 I C 1.069 177.183 176.117 -0.004 0.000 1.215 508 I CA 0.574 61.868 61.300 -0.009 0.000 1.393 508 I CB 0.831 38.823 38.000 -0.012 0.000 1.371 508 I HN 0.870 nan 8.210 nan 0.000 0.602 509 A N 3.553 126.373 122.820 0.000 0.000 2.419 509 A HA 0.639 4.959 4.320 -0.001 0.000 0.233 509 A C 0.660 178.246 177.584 0.003 0.000 1.217 509 A CA 0.345 52.383 52.037 0.003 0.000 0.944 509 A CB 0.238 19.242 19.000 0.007 0.000 1.025 509 A HN 0.742 nan 8.150 nan 0.000 0.524 510 A N -0.338 122.483 122.820 0.002 0.000 2.374 510 A HA 0.594 4.914 4.320 -0.001 0.000 0.305 510 A C 0.516 178.099 177.584 -0.001 0.000 1.053 510 A CA 0.004 52.042 52.037 0.001 0.000 0.726 510 A CB 0.920 19.922 19.000 0.003 0.000 1.229 510 A HN 0.252 nan 8.150 nan 0.000 0.431 511 E N 1.752 121.951 120.200 -0.002 0.000 2.035 511 E HA -0.176 4.173 4.350 -0.001 0.000 0.204 511 E C 0.433 177.031 176.600 -0.004 0.000 1.025 511 E CA 1.182 57.580 56.400 -0.003 0.000 0.835 511 E CB -0.003 29.696 29.700 -0.002 0.000 0.764 511 E HN 0.623 nan 8.360 nan 0.000 0.457 512 R N 0.919 121.417 120.500 -0.003 0.000 2.608 512 R HA 0.210 4.550 4.340 -0.001 0.000 0.277 512 R C -1.206 175.091 176.300 -0.005 0.000 1.341 512 R CA -0.339 55.759 56.100 -0.005 0.000 1.199 512 R CB 0.858 31.155 30.300 -0.005 0.000 1.156 512 R HN 0.003 nan 8.270 nan 0.000 0.558 513 V N 3.867 123.778 119.914 -0.005 0.000 2.628 513 V HA 0.218 4.338 4.120 -0.001 0.000 0.306 513 V C 0.283 176.372 176.094 -0.007 0.000 1.045 513 V CA -0.897 61.400 62.300 -0.005 0.000 0.905 513 V CB 2.273 34.094 31.823 -0.003 0.000 0.997 513 V HN 0.450 nan 8.190 nan 0.000 0.436 514 V N 2.847 122.756 119.914 -0.009 0.000 2.843 514 V HA 0.857 4.976 4.120 -0.001 0.000 0.305 514 V C 0.153 176.241 176.094 -0.010 0.000 1.065 514 V CA 0.319 62.611 62.300 -0.014 0.000 1.116 514 V CB 0.646 32.458 31.823 -0.019 0.000 0.968 514 V HN 1.470 nan 8.190 nan 0.000 0.487 515 A N 4.129 126.939 122.820 -0.016 0.000 2.586 515 A HA 0.869 5.189 4.320 -0.001 0.000 0.291 515 A C -0.915 176.652 177.584 -0.029 0.000 1.062 515 A CA -1.135 50.894 52.037 -0.014 0.000 0.666 515 A CB 1.726 20.721 19.000 -0.008 0.000 1.281 515 A HN 0.881 nan 8.150 nan 0.000 0.421 516 R N 1.143 121.623 120.500 -0.033 0.000 2.468 516 R HA 0.408 4.748 4.340 -0.001 0.000 0.302 516 R C 0.439 176.716 176.300 -0.037 0.000 1.041 516 R CA -0.686 55.381 56.100 -0.056 0.000 0.899 516 R CB 1.401 31.634 30.300 -0.111 0.000 1.167 516 R HN 0.911 nan 8.270 nan 0.000 0.483 517 R N 2.321 122.804 120.500 -0.028 0.000 2.177 517 R HA -0.063 4.276 4.340 -0.001 0.000 0.221 517 R C -0.157 176.138 176.300 -0.008 0.000 1.110 517 R CA 1.722 57.815 56.100 -0.011 0.000 0.875 517 R CB 0.283 30.575 30.300 -0.013 0.000 0.810 517 R HN 0.347 nan 8.270 nan 0.000 0.437 518 K N -0.923 119.466 120.400 -0.018 0.000 2.664 518 K HA 0.215 4.534 4.320 -0.001 0.000 0.234 518 K C -0.480 176.090 176.600 -0.051 0.000 0.980 518 K CA 0.262 56.541 56.287 -0.013 0.000 0.996 518 K CB 1.831 34.337 32.500 0.010 0.000 1.190 518 K HN 0.640 nan 8.250 nan 0.000 0.479 519 G N 2.184 110.929 108.800 -0.093 0.000 2.256 519 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.279 519 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.279 519 G C -0.044 174.781 174.900 -0.125 0.000 0.998 519 G CA 0.729 45.740 45.100 -0.149 0.000 0.720 519 G HN 0.537 nan 8.290 nan 0.000 0.521 520 E N 0.571 120.714 120.200 -0.095 0.000 2.185 520 E HA 0.338 4.687 4.350 -0.001 0.000 0.261 520 E C -2.448 174.107 176.600 -0.075 0.000 0.879 520 E CA -1.999 54.356 56.400 -0.075 0.000 0.756 520 E CB 2.228 31.898 29.700 -0.049 0.000 1.152 520 E HN 0.160 nan 8.360 nan 0.000 0.416 521 P HA 0.077 nan 4.420 nan 0.000 0.267 521 P C -0.464 176.807 177.300 -0.049 0.000 1.205 521 P CA -0.088 62.969 63.100 -0.071 0.000 0.765 521 P CB 0.729 32.387 31.700 -0.069 0.000 0.828 522 V N 5.104 124.993 119.914 -0.042 0.000 2.808 522 V HA 0.281 4.400 4.120 -0.001 0.000 0.308 522 V C 0.181 176.261 176.094 -0.023 0.000 1.099 522 V CA -0.793 61.490 62.300 -0.029 0.000 0.920 522 V CB 2.411 34.220 31.823 -0.024 0.000 1.014 522 V HN 0.497 nan 8.190 nan 0.000 0.425 523 I N 5.069 125.627 120.570 -0.019 0.000 2.278 523 I HA 0.433 4.603 4.170 -0.001 0.000 0.296 523 I C -0.351 175.759 176.117 -0.011 0.000 1.121 523 I CA 0.328 61.619 61.300 -0.015 0.000 1.267 523 I CB 0.407 38.398 38.000 -0.014 0.000 1.447 523 I HN 0.416 nan 8.210 nan 0.000 0.509 524 V N 6.014 125.922 119.914 -0.010 0.000 3.096 524 V HA 0.477 4.596 4.120 -0.001 0.000 0.319 524 V C 0.327 176.417 176.094 -0.006 0.000 1.082 524 V CA -0.374 61.922 62.300 -0.006 0.000 1.022 524 V CB 2.219 34.040 31.823 -0.003 0.000 1.103 524 V HN 0.831 nan 8.190 nan 0.000 0.455 525 S N 2.301 117.999 115.700 -0.005 0.000 2.616 525 S HA 0.395 4.864 4.470 -0.001 0.000 0.277 525 S C -2.046 172.550 174.600 -0.007 0.000 1.234 525 S CA -1.244 56.952 58.200 -0.005 0.000 1.028 525 S CB 1.315 64.513 63.200 -0.005 0.000 0.988 525 S HN 0.528 nan 8.310 nan 0.000 0.522 526 P HA -0.084 nan 4.420 nan 0.000 0.220 526 P C 0.706 177.997 177.300 -0.015 0.000 1.144 526 P CA 1.135 64.228 63.100 -0.012 0.000 0.800 526 P CB -0.001 31.693 31.700 -0.011 0.000 0.772 527 E N -0.610 119.583 120.200 -0.011 0.000 2.299 527 E HA -0.082 4.267 4.350 -0.001 0.000 0.193 527 E C 1.405 178.000 176.600 -0.008 0.000 0.998 527 E CA 0.629 57.022 56.400 -0.011 0.000 0.851 527 E CB -0.135 29.561 29.700 -0.008 0.000 0.795 527 E HN 0.435 nan 8.360 nan 0.000 0.492 528 E N 0.336 120.534 120.200 -0.004 0.000 2.452 528 E HA 0.031 4.380 4.350 -0.001 0.000 0.197 528 E C -0.078 176.528 176.600 0.011 0.000 1.022 528 E CA -0.102 56.302 56.400 0.007 0.000 0.890 528 E CB 0.804 30.509 29.700 0.008 0.000 0.918 528 E HN -0.065 nan 8.360 nan 0.000 0.496 529 V N 3.190 123.101 119.914 -0.005 0.000 2.399 529 V HA -0.096 4.024 4.120 -0.001 0.000 0.245 529 V C 0.849 176.920 176.094 -0.038 0.000 1.089 529 V CA 0.919 63.211 62.300 -0.013 0.000 1.196 529 V CB -0.489 31.317 31.823 -0.028 0.000 1.221 529 V HN 0.240 nan 8.190 nan 0.000 0.482 530 E N 2.729 122.934 120.200 0.008 0.000 2.112 530 E HA 0.116 4.465 4.350 -0.001 0.000 0.190 530 E C -0.099 176.292 176.600 -0.349 0.000 0.979 530 E CA 0.937 57.310 56.400 -0.046 0.000 0.814 530 E CB 0.246 30.103 29.700 0.262 0.000 0.762 530 E HN 0.608 nan 8.360 nan 0.000 0.460 531 F N -0.438 119.425 119.950 -0.145 0.000 2.599 531 F HA 0.470 4.997 4.527 -0.001 0.000 0.311 531 F C -0.426 175.253 175.800 -0.201 0.000 1.076 531 F CA -0.968 56.893 58.000 -0.231 0.000 0.937 531 F CB 1.963 40.710 39.000 -0.422 0.000 1.282 531 F HN -0.191 nan 8.300 nan 0.000 0.460 532 M N 1.783 121.408 119.600 0.041 0.000 2.530 532 M HA 0.432 4.912 4.480 -0.001 0.000 0.307 532 M C -1.481 174.886 176.300 0.112 0.000 1.161 532 M CA -0.762 54.556 55.300 0.030 0.000 0.903 532 M CB 1.647 34.249 32.600 0.005 0.000 1.711 532 M HN 0.510 nan 8.290 nan 0.000 0.451 533 D N 1.915 122.391 120.400 0.127 0.000 2.382 533 D HA 0.090 4.730 4.640 -0.001 0.000 0.240 533 D C 0.944 177.262 176.300 0.029 0.000 1.146 533 D CA -0.122 53.981 54.000 0.171 0.000 0.897 533 D CB 1.248 42.127 40.800 0.132 0.000 1.197 533 D HN 0.358 nan 8.370 nan 0.000 0.432 534 V N 0.224 120.083 119.914 -0.093 0.000 2.302 534 V HA -0.001 4.119 4.120 -0.001 0.000 0.243 534 V C 1.003 177.000 176.094 -0.162 0.000 1.036 534 V CA 1.240 63.435 62.300 -0.176 0.000 1.020 534 V CB -0.056 31.540 31.823 -0.379 0.000 0.657 534 V HN 0.546 nan 8.190 nan 0.000 0.453 535 S N -2.556 113.018 115.700 -0.210 0.000 2.580 535 S HA 0.358 4.827 4.470 -0.001 0.000 0.281 535 S C -2.607 171.922 174.600 -0.118 0.000 1.129 535 S CA -0.560 57.565 58.200 -0.126 0.000 0.862 535 S CB 1.830 64.956 63.200 -0.125 0.000 1.090 535 S HN -0.010 nan 8.310 nan 0.000 0.451 536 P HA 0.002 nan 4.420 nan 0.000 0.223 536 P C 0.719 177.962 177.300 -0.095 0.000 1.144 536 P CA 0.902 64.037 63.100 0.058 0.000 0.783 536 P CB 0.168 32.049 31.700 0.301 0.000 0.771 537 K N 0.346 120.700 120.400 -0.078 0.000 2.057 537 K HA -0.195 4.125 4.320 -0.001 0.000 0.207 537 K C 2.231 178.767 176.600 -0.106 0.000 1.049 537 K CA 1.387 57.662 56.287 -0.020 0.000 0.931 537 K CB -0.684 31.865 32.500 0.082 0.000 0.714 537 K HN 0.313 nan 8.250 nan 0.000 0.440 538 Q N 0.540 120.208 119.800 -0.221 0.000 2.268 538 Q HA -0.175 4.164 4.340 -0.001 0.000 0.210 538 Q C 1.549 177.320 176.000 -0.381 0.000 0.988 538 Q CA 1.796 57.434 55.803 -0.276 0.000 0.883 538 Q CB -0.474 27.969 28.738 -0.491 0.000 0.911 538 Q HN 0.132 nan 8.270 nan 0.000 0.430 539 V N -0.105 119.450 119.914 -0.598 0.000 2.626 539 V HA -0.056 4.064 4.120 -0.001 0.000 0.252 539 V C 0.949 176.585 176.094 -0.765 0.000 1.067 539 V CA 1.245 63.059 62.300 -0.811 0.000 1.081 539 V CB -0.847 30.272 31.823 -1.173 0.000 0.686 539 V HN 0.240 nan 8.190 nan 0.000 0.468 540 F N -1.608 118.348 119.950 0.011 0.000 2.661 540 F HA 0.627 5.154 4.527 -0.001 0.000 0.347 540 F C 0.625 176.430 175.800 0.008 0.000 1.086 540 F CA -0.801 57.206 58.000 0.013 0.000 1.016 540 F CB 1.169 40.166 39.000 -0.006 0.000 1.368 540 F HN -0.243 nan 8.300 nan 0.000 0.505 541 S N -0.443 115.387 115.700 0.216 0.000 2.655 541 S HA 0.296 4.765 4.470 -0.001 0.000 0.265 541 S C 0.957 175.613 174.600 0.092 0.000 1.240 541 S CA -0.601 57.666 58.200 0.111 0.000 0.986 541 S CB 1.128 64.374 63.200 0.077 0.000 0.985 541 S HN 0.426 nan 8.310 nan 0.000 0.562 542 V N 2.765 122.708 119.914 0.050 0.000 2.261 542 V HA -0.177 3.942 4.120 -0.001 0.000 0.246 542 V C 2.451 178.558 176.094 0.023 0.000 1.047 542 V CA 2.407 64.723 62.300 0.027 0.000 1.015 542 V CB -1.358 30.469 31.823 0.007 0.000 0.642 542 V HN 0.911 nan 8.190 nan 0.000 0.446 543 N N -0.324 118.390 118.700 0.024 0.000 2.060 543 N HA -0.223 4.517 4.740 -0.001 0.000 0.195 543 N C 1.762 177.276 175.510 0.008 0.000 1.028 543 N CA 2.063 55.125 53.050 0.020 0.000 0.861 543 N CB -0.045 38.456 38.487 0.024 0.000 1.029 543 N HN 0.533 nan 8.380 nan 0.000 0.428 544 T N 0.506 115.068 114.554 0.014 0.000 2.896 544 T HA 0.007 4.356 4.350 -0.001 0.000 0.263 544 T C 1.449 176.115 174.700 -0.057 0.000 1.050 544 T CA 0.371 62.453 62.100 -0.030 0.000 1.140 544 T CB -0.226 68.620 68.868 -0.037 0.000 0.877 544 T HN 0.250 nan 8.240 nan 0.000 0.457 545 N N 1.402 120.103 118.700 0.001 0.000 2.417 545 N HA -0.034 4.706 4.740 -0.001 0.000 0.187 545 N C 1.320 176.790 175.510 -0.066 0.000 1.027 545 N CA 0.690 53.734 53.050 -0.010 0.000 0.891 545 N CB -0.288 38.220 38.487 0.034 0.000 0.956 545 N HN 0.422 nan 8.380 nan 0.000 0.442 546 L N 0.308 121.493 121.223 -0.064 0.000 2.599 546 L HA 0.145 4.485 4.340 -0.001 0.000 0.230 546 L C 0.544 177.344 176.870 -0.116 0.000 1.141 546 L CA 0.185 54.977 54.840 -0.080 0.000 0.877 546 L CB 0.031 42.066 42.059 -0.041 0.000 1.009 546 L HN -0.014 nan 8.230 nan 0.000 0.447 547 I N 0.725 121.207 120.570 -0.147 0.000 2.301 547 I HA 0.106 4.275 4.170 -0.001 0.000 0.292 547 I C -1.229 174.748 176.117 -0.234 0.000 1.046 547 I CA -1.762 59.412 61.300 -0.210 0.000 1.282 547 I CB 1.069 38.949 38.000 -0.201 0.000 1.409 547 I HN -0.144 nan 8.210 nan 0.000 0.484 548 P HA -0.221 nan 4.420 nan 0.000 0.207 548 P C 0.219 177.283 177.300 -0.393 0.000 1.115 548 P CA 1.849 64.752 63.100 -0.329 0.000 0.956 548 P CB 0.109 31.725 31.700 -0.140 0.000 0.774 549 F N -1.752 118.354 119.950 0.260 0.000 2.578 549 F HA 0.222 4.748 4.527 -0.001 0.000 0.314 549 F C 1.390 177.276 175.800 0.144 0.000 1.225 549 F CA -0.442 57.669 58.000 0.185 0.000 1.215 549 F CB -0.598 38.549 39.000 0.245 0.000 1.448 549 F HN -0.162 nan 8.300 nan 0.000 0.548 550 L N 1.397 122.678 121.223 0.096 0.000 2.189 550 L HA -0.236 4.104 4.340 -0.001 0.000 0.214 550 L C 2.462 179.353 176.870 0.036 0.000 1.097 550 L CA 1.960 56.802 54.840 0.004 0.000 0.764 550 L CB -0.483 41.426 42.059 -0.249 0.000 0.900 550 L HN 0.533 nan 8.230 nan 0.000 0.436 551 E N -2.109 118.112 120.200 0.036 0.000 2.204 551 E HA -0.250 4.099 4.350 -0.001 0.000 0.195 551 E C 0.918 177.471 176.600 -0.077 0.000 0.990 551 E CA 1.512 57.954 56.400 0.070 0.000 0.821 551 E CB -0.583 29.113 29.700 -0.006 0.000 0.750 551 E HN 0.636 nan 8.360 nan 0.000 0.477 552 H N 0.661 119.827 119.070 0.159 0.000 2.520 552 H HA 0.279 4.834 4.556 -0.001 0.000 0.284 552 H C -0.656 174.688 175.328 0.027 0.000 1.037 552 H CA -0.074 56.009 56.048 0.058 0.000 1.168 552 H CB 0.172 29.925 29.762 -0.014 0.000 1.497 552 H HN 0.171 nan 8.280 nan 0.000 0.547 553 D N 0.570 121.053 120.400 0.139 0.000 2.375 553 D HA 0.074 4.714 4.640 -0.001 0.000 0.247 553 D C -0.167 176.175 176.300 0.070 0.000 1.061 553 D CA -0.663 53.398 54.000 0.101 0.000 0.834 553 D CB 1.740 42.630 40.800 0.150 0.000 1.247 553 D HN 0.140 nan 8.370 nan 0.000 0.489 554 D N 0.823 121.255 120.400 0.054 0.000 2.493 554 D HA 0.158 4.798 4.640 -0.001 0.000 0.240 554 D C 1.078 177.401 176.300 0.038 0.000 1.142 554 D CA -0.272 53.754 54.000 0.044 0.000 0.872 554 D CB 1.058 41.879 40.800 0.034 0.000 1.173 554 D HN 0.332 nan 8.370 nan 0.000 0.467 555 A N 4.111 126.953 122.820 0.037 0.000 1.948 555 A HA -0.303 4.016 4.320 -0.001 0.000 0.220 555 A C 2.062 179.663 177.584 0.029 0.000 1.177 555 A CA 1.896 53.950 52.037 0.028 0.000 0.636 555 A CB -0.887 18.143 19.000 0.050 0.000 0.815 555 A HN 0.789 nan 8.150 nan 0.000 0.449 556 N N -1.037 117.684 118.700 0.035 0.000 2.166 556 N HA -0.159 4.581 4.740 -0.001 0.000 0.186 556 N C 1.819 177.346 175.510 0.029 0.000 1.019 556 N CA 1.565 54.635 53.050 0.034 0.000 0.856 556 N CB -0.162 38.345 38.487 0.034 0.000 0.993 556 N HN 0.388 nan 8.380 nan 0.000 0.426 557 R N -0.153 120.365 120.500 0.030 0.000 2.127 557 R HA 0.301 4.640 4.340 -0.001 0.000 0.217 557 R C 1.920 178.240 176.300 0.033 0.000 1.074 557 R CA 0.963 57.083 56.100 0.032 0.000 0.991 557 R CB -0.600 29.722 30.300 0.037 0.000 0.895 557 R HN 0.223 nan 8.270 nan 0.000 0.450 558 A N 0.832 123.668 122.820 0.027 0.000 1.948 558 A HA -0.202 4.118 4.320 -0.001 0.000 0.220 558 A C 2.088 179.670 177.584 -0.003 0.000 1.177 558 A CA 1.538 53.579 52.037 0.007 0.000 0.636 558 A CB -0.736 18.245 19.000 -0.031 0.000 0.815 558 A HN 0.407 nan 8.150 nan 0.000 0.449 559 L N -0.903 120.324 121.223 0.007 0.000 1.989 559 L HA -0.233 4.107 4.340 -0.001 0.000 0.211 559 L C 2.600 179.481 176.870 0.019 0.000 1.071 559 L CA 1.936 56.784 54.840 0.013 0.000 0.749 559 L CB -0.269 41.804 42.059 0.023 0.000 0.890 559 L HN 0.353 nan 8.230 nan 0.000 0.431 560 M N -0.664 118.951 119.600 0.024 0.000 2.202 560 M HA -0.144 4.336 4.480 -0.001 0.000 0.262 560 M C 2.212 178.529 176.300 0.029 0.000 1.063 560 M CA 1.606 56.923 55.300 0.028 0.000 1.097 560 M CB -1.789 30.828 32.600 0.029 0.000 1.382 560 M HN 0.451 nan 8.290 nan 0.000 0.413 561 G N -0.517 108.297 108.800 0.024 0.000 2.394 561 G HA2 -0.134 3.826 3.960 -0.001 0.000 0.215 561 G HA3 -0.134 3.826 3.960 -0.001 0.000 0.215 561 G C 1.778 176.687 174.900 0.016 0.000 1.165 561 G CA 0.897 46.009 45.100 0.020 0.000 0.784 561 G HN 0.431 nan 8.290 nan 0.000 0.535 562 S N 1.141 116.846 115.700 0.008 0.000 2.348 562 S HA -0.136 4.333 4.470 -0.001 0.000 0.221 562 S C 2.364 176.981 174.600 0.029 0.000 1.033 562 S CA 1.480 59.687 58.200 0.012 0.000 1.010 562 S CB -0.350 62.853 63.200 0.004 0.000 0.891 562 S HN 0.422 nan 8.310 nan 0.000 0.442 563 N N 1.841 120.560 118.700 0.031 0.000 2.137 563 N HA -0.147 4.593 4.740 -0.001 0.000 0.190 563 N C 1.776 177.318 175.510 0.054 0.000 1.017 563 N CA 1.644 54.719 53.050 0.042 0.000 0.859 563 N CB -0.519 37.993 38.487 0.040 0.000 1.002 563 N HN 0.647 nan 8.380 nan 0.000 0.428 564 M N -0.006 119.624 119.600 0.051 0.000 2.213 564 M HA -0.133 4.346 4.480 -0.001 0.000 0.263 564 M C 1.522 177.863 176.300 0.069 0.000 1.062 564 M CA 1.485 56.821 55.300 0.060 0.000 1.105 564 M CB -0.325 32.303 32.600 0.047 0.000 1.385 564 M HN 0.041 nan 8.290 nan 0.000 0.417 565 Q N 0.432 120.271 119.800 0.065 0.000 2.170 565 Q HA -0.106 4.234 4.340 -0.001 0.000 0.203 565 Q C 1.829 177.874 176.000 0.075 0.000 0.976 565 Q CA 1.932 57.782 55.803 0.078 0.000 0.858 565 Q CB -0.586 28.196 28.738 0.074 0.000 0.907 565 Q HN 0.626 nan 8.270 nan 0.000 0.433 566 T N 1.159 115.754 114.554 0.068 0.000 3.051 566 T HA -0.094 4.255 4.350 -0.001 0.000 0.269 566 T C 1.137 175.881 174.700 0.073 0.000 1.127 566 T CA 0.962 63.102 62.100 0.067 0.000 1.107 566 T CB -0.003 68.906 68.868 0.067 0.000 0.898 566 T HN 0.326 nan 8.240 nan 0.000 0.517 567 Q N 0.119 119.977 119.800 0.096 0.000 2.194 567 Q HA 0.452 4.792 4.340 -0.001 0.000 0.214 567 Q C 0.575 176.669 176.000 0.157 0.000 0.838 567 Q CA -0.431 55.456 55.803 0.140 0.000 0.972 567 Q CB 0.638 29.484 28.738 0.181 0.000 1.131 567 Q HN 0.376 nan 8.270 nan 0.000 0.498 568 A N 0.992 123.880 122.820 0.113 0.000 2.511 568 A HA 0.259 4.578 4.320 -0.001 0.000 0.242 568 A C -0.229 177.425 177.584 0.117 0.000 1.069 568 A CA -0.037 52.067 52.037 0.112 0.000 0.763 568 A CB 0.507 19.567 19.000 0.100 0.000 1.001 568 A HN 0.169 nan 8.150 nan 0.000 0.498 569 V N 5.052 125.050 119.914 0.139 0.000 2.483 569 V HA 0.451 4.570 4.120 -0.001 0.000 0.295 569 V C -2.274 173.887 176.094 0.111 0.000 1.035 569 V CA -2.209 60.188 62.300 0.160 0.000 0.896 569 V CB 1.727 33.705 31.823 0.259 0.000 0.986 569 V HN 0.798 nan 8.190 nan 0.000 0.447 570 P HA 0.146 nan 4.420 nan 0.000 0.264 570 P C -0.889 176.457 177.300 0.076 0.000 1.236 570 P CA -0.065 63.080 63.100 0.075 0.000 0.811 570 P CB 0.116 31.855 31.700 0.066 0.000 0.840 571 L N 4.400 125.651 121.223 0.046 0.000 2.349 571 L HA 0.180 4.519 4.340 -0.001 0.000 0.275 571 L C 1.798 178.689 176.870 0.036 0.000 1.115 571 L CA 0.168 55.024 54.840 0.027 0.000 0.820 571 L CB 0.301 42.337 42.059 -0.039 0.000 1.135 571 L HN 0.356 nan 8.230 nan 0.000 0.445 572 I N 0.574 121.170 120.570 0.043 0.000 2.248 572 I HA -0.216 3.954 4.170 -0.001 0.000 0.248 572 I C 0.798 176.930 176.117 0.025 0.000 1.107 572 I CA 1.262 62.591 61.300 0.048 0.000 1.373 572 I CB -0.585 37.441 38.000 0.043 0.000 1.055 572 I HN 0.489 nan 8.210 nan 0.000 0.418 573 R N 1.982 122.483 120.500 0.002 0.000 2.215 573 R HA 0.679 5.018 4.340 -0.001 0.000 0.336 573 R C -0.694 175.600 176.300 -0.011 0.000 0.996 573 R CA -0.289 55.797 56.100 -0.023 0.000 0.847 573 R CB 1.482 31.739 30.300 -0.071 0.000 1.127 573 R HN 0.258 nan 8.270 nan 0.000 0.465 574 A N 3.437 126.261 122.820 0.007 0.000 2.350 574 A HA 0.496 4.816 4.320 -0.001 0.000 0.324 574 A C -0.737 176.884 177.584 0.061 0.000 1.118 574 A CA -0.653 51.407 52.037 0.038 0.000 0.783 574 A CB 1.449 20.474 19.000 0.042 0.000 1.236 574 A HN 0.665 nan 8.150 nan 0.000 0.457 575 Q N 0.387 120.257 119.800 0.117 0.000 2.389 575 Q HA 0.621 4.961 4.340 -0.001 0.000 0.277 575 Q C -0.616 175.474 176.000 0.150 0.000 1.082 575 Q CA -0.894 54.995 55.803 0.144 0.000 0.810 575 Q CB 2.519 31.380 28.738 0.205 0.000 1.374 575 Q HN 0.961 nan 8.270 nan 0.000 0.422 576 A N 2.588 125.475 122.820 0.112 0.000 2.354 576 A HA 0.568 4.888 4.320 -0.001 0.000 0.269 576 A C -2.305 175.224 177.584 -0.091 0.000 1.109 576 A CA -1.305 50.738 52.037 0.010 0.000 0.800 576 A CB -0.196 18.872 19.000 0.113 0.000 1.045 576 A HN 0.354 nan 8.150 nan 0.000 0.489 577 P HA -0.007 nan 4.420 nan 0.000 0.264 577 P C 1.211 178.470 177.300 -0.068 0.000 1.173 577 P CA 0.261 63.048 63.100 -0.521 0.000 0.761 577 P CB 0.264 31.352 31.700 -1.020 0.000 0.794 578 V N 1.994 121.983 119.914 0.124 0.000 2.867 578 V HA -0.105 4.015 4.120 -0.001 0.000 0.260 578 V C 1.067 177.287 176.094 0.210 0.000 1.099 578 V CA 1.223 63.640 62.300 0.196 0.000 1.122 578 V CB -0.993 30.993 31.823 0.272 0.000 0.708 578 V HN 0.455 nan 8.190 nan 0.000 0.490 579 V N 0.731 120.728 119.914 0.137 0.000 2.447 579 V HA 0.663 4.783 4.120 -0.001 0.000 0.292 579 V C -0.751 175.322 176.094 -0.036 0.000 1.021 579 V CA -0.707 61.670 62.300 0.128 0.000 0.850 579 V CB 1.651 33.596 31.823 0.203 0.000 1.005 579 V HN 0.317 nan 8.190 nan 0.000 0.426 580 M N 4.424 123.982 119.600 -0.071 0.000 2.705 580 M HA 0.458 4.937 4.480 -0.001 0.000 0.311 580 M C 1.351 177.558 176.300 -0.156 0.000 1.214 580 M CA -0.202 54.999 55.300 -0.165 0.000 0.920 580 M CB 2.222 34.688 32.600 -0.223 0.000 1.687 580 M HN 0.774 nan 8.290 nan 0.000 0.481 581 T N -3.015 111.435 114.554 -0.173 0.000 2.983 581 T HA 0.308 4.658 4.350 -0.001 0.000 0.250 581 T C 1.163 175.792 174.700 -0.118 0.000 1.037 581 T CA 1.071 63.076 62.100 -0.157 0.000 1.142 581 T CB 0.123 68.901 68.868 -0.150 0.000 0.876 581 T HN 1.016 nan 8.240 nan 0.000 0.455 582 G N 0.348 109.070 108.800 -0.129 0.000 2.613 582 G HA2 -0.037 3.923 3.960 -0.001 0.000 0.199 582 G HA3 -0.037 3.923 3.960 -0.001 0.000 0.199 582 G C 0.484 175.326 174.900 -0.097 0.000 0.991 582 G CA 0.080 45.112 45.100 -0.114 0.000 0.756 582 G HN 0.409 nan 8.290 nan 0.000 0.515 583 L N 2.134 123.305 121.223 -0.087 0.000 2.640 583 L HA 0.311 4.650 4.340 -0.001 0.000 0.230 583 L C 2.358 179.196 176.870 -0.053 0.000 1.123 583 L CA 0.992 55.797 54.840 -0.058 0.000 0.900 583 L CB 0.227 42.262 42.059 -0.040 0.000 1.146 583 L HN 0.295 nan 8.230 nan 0.000 0.484 584 E N 0.662 120.810 120.200 -0.086 0.000 2.097 584 E HA -0.269 4.081 4.350 -0.001 0.000 0.196 584 E C 1.453 178.080 176.600 0.045 0.000 1.000 584 E CA 1.554 57.925 56.400 -0.048 0.000 0.804 584 E CB -0.293 29.340 29.700 -0.112 0.000 0.740 584 E HN 0.590 nan 8.360 nan 0.000 0.454 585 E N 0.707 120.937 120.200 0.050 0.000 2.031 585 E HA -0.127 4.222 4.350 -0.001 0.000 0.193 585 E C 2.331 178.993 176.600 0.104 0.000 0.994 585 E CA 0.773 57.287 56.400 0.190 0.000 0.800 585 E CB -0.102 29.701 29.700 0.172 0.000 0.752 585 E HN 0.028 nan 8.360 nan 0.000 0.447 586 R N 0.771 121.288 120.500 0.028 0.000 2.083 586 R HA -0.121 4.218 4.340 -0.001 0.000 0.237 586 R C 2.451 178.751 176.300 -0.001 0.000 1.137 586 R CA 0.899 56.991 56.100 -0.012 0.000 0.951 586 R CB -0.995 29.280 30.300 -0.041 0.000 0.851 586 R HN 0.148 nan 8.270 nan 0.000 0.434 587 V N 1.291 121.211 119.914 0.010 0.000 2.287 587 V HA -0.238 3.881 4.120 -0.001 0.000 0.248 587 V C 2.584 178.701 176.094 0.039 0.000 1.053 587 V CA 2.018 64.326 62.300 0.014 0.000 1.027 587 V CB -0.907 30.924 31.823 0.014 0.000 0.646 587 V HN 0.274 nan 8.190 nan 0.000 0.447 588 V N -0.758 119.202 119.914 0.076 0.000 2.626 588 V HA -0.204 3.915 4.120 -0.001 0.000 0.252 588 V C 2.371 178.560 176.094 0.159 0.000 1.067 588 V CA 2.331 64.693 62.300 0.104 0.000 1.081 588 V CB -0.771 31.131 31.823 0.131 0.000 0.686 588 V HN 0.468 nan 8.190 nan 0.000 0.468 589 R N -0.182 120.405 120.500 0.145 0.000 2.057 589 R HA -0.060 4.279 4.340 -0.001 0.000 0.224 589 R C 2.266 178.570 176.300 0.007 0.000 1.136 589 R CA 1.565 57.718 56.100 0.089 0.000 0.968 589 R CB -0.374 29.816 30.300 -0.185 0.000 0.863 589 R HN 0.522 nan 8.270 nan 0.000 0.433 590 D N 0.705 121.088 120.400 -0.029 0.000 2.144 590 D HA -0.084 4.556 4.640 -0.001 0.000 0.200 590 D C 0.594 176.882 176.300 -0.020 0.000 0.978 590 D CA 0.986 54.961 54.000 -0.043 0.000 0.833 590 D CB -0.033 40.731 40.800 -0.060 0.000 0.961 590 D HN 0.269 nan 8.370 nan 0.000 0.470 591 S N -0.132 115.569 115.700 0.001 0.000 2.600 591 S HA 0.172 4.641 4.470 -0.001 0.000 0.265 591 S C 0.565 175.172 174.600 0.012 0.000 1.325 591 S CA -0.570 57.631 58.200 0.000 0.000 1.002 591 S CB 1.125 64.330 63.200 0.007 0.000 0.921 591 S HN 0.125 nan 8.310 nan 0.000 0.554 592 L N 1.895 123.110 121.223 -0.013 0.000 3.029 592 L HA 0.305 4.644 4.340 -0.001 0.000 0.231 592 L C 1.526 178.374 176.870 -0.038 0.000 1.327 592 L CA -0.355 54.475 54.840 -0.016 0.000 1.166 592 L CB -0.817 41.209 42.059 -0.056 0.000 1.532 592 L HN 0.980 nan 8.230 nan 0.000 0.473 593 A N 0.746 123.558 122.820 -0.014 0.000 1.833 593 A HA 0.231 4.550 4.320 -0.001 0.000 0.215 593 A C 1.378 178.899 177.584 -0.106 0.000 1.275 593 A CA 0.951 52.960 52.037 -0.047 0.000 0.602 593 A CB -0.318 18.673 19.000 -0.015 0.000 0.929 593 A HN 0.442 nan 8.150 nan 0.000 0.462 594 A N -1.144 121.589 122.820 -0.145 0.000 2.366 594 A HA 0.508 4.827 4.320 -0.001 0.000 0.249 594 A C -0.357 176.933 177.584 -0.489 0.000 1.084 594 A CA -0.207 51.620 52.037 -0.349 0.000 0.794 594 A CB -0.007 18.692 19.000 -0.502 0.000 1.034 594 A HN 0.584 nan 8.150 nan 0.000 0.491 595 L N 1.654 122.583 121.223 -0.489 0.000 2.264 595 L HA 0.481 4.821 4.340 -0.001 0.000 0.289 595 L C -1.000 175.578 176.870 -0.486 0.000 1.044 595 L CA 0.251 54.856 54.840 -0.391 0.000 0.807 595 L CB 0.306 42.215 42.059 -0.250 0.000 1.192 595 L HN 0.628 nan 8.230 nan 0.000 0.425 596 Y N 2.511 122.771 120.300 -0.067 0.000 2.453 596 Y HA 0.671 5.221 4.550 -0.001 0.000 0.326 596 Y C 0.585 176.509 175.900 0.040 0.000 1.186 596 Y CA -0.923 57.166 58.100 -0.020 0.000 1.200 596 Y CB 1.305 39.742 38.460 -0.038 0.000 1.247 596 Y HN 0.629 nan 8.280 nan 0.000 0.482 597 A N 1.981 124.946 122.820 0.242 0.000 2.404 597 A HA 0.185 4.505 4.320 -0.001 0.000 0.273 597 A C 0.842 178.470 177.584 0.075 0.000 1.144 597 A CA -0.440 51.734 52.037 0.228 0.000 0.806 597 A CB 0.045 19.163 19.000 0.196 0.000 1.080 597 A HN 0.998 nan 8.150 nan 0.000 0.509 598 E N 1.905 122.094 120.200 -0.018 0.000 2.000 598 E HA -0.153 4.196 4.350 -0.001 0.000 0.199 598 E C 0.419 176.853 176.600 -0.277 0.000 1.011 598 E CA 1.374 57.672 56.400 -0.169 0.000 0.836 598 E CB 0.093 29.667 29.700 -0.211 0.000 0.778 598 E HN 0.863 nan 8.360 nan 0.000 0.462 599 E N 0.084 119.946 120.200 -0.563 0.000 2.334 599 E HA 0.132 4.482 4.350 -0.001 0.000 0.256 599 E C -1.030 175.404 176.600 -0.277 0.000 0.958 599 E CA -0.738 55.443 56.400 -0.364 0.000 0.821 599 E CB 1.313 30.823 29.700 -0.316 0.000 1.269 599 E HN -0.018 nan 8.360 nan 0.000 0.413 600 D N -0.284 120.064 120.400 -0.087 0.000 2.368 600 D HA 0.404 5.044 4.640 -0.001 0.000 0.240 600 D C 0.122 176.520 176.300 0.163 0.000 1.169 600 D CA 0.587 54.607 54.000 0.033 0.000 0.906 600 D CB 1.381 42.195 40.800 0.024 0.000 1.187 600 D HN 0.566 nan 8.370 nan 0.000 0.435 601 G N 0.338 109.255 108.800 0.196 0.000 2.356 601 G HA2 0.310 4.270 3.960 -0.001 0.000 0.281 601 G HA3 0.310 4.270 3.960 -0.001 0.000 0.281 601 G C -1.361 173.592 174.900 0.088 0.000 1.246 601 G CA -0.547 44.670 45.100 0.195 0.000 0.889 601 G HN 0.391 nan 8.290 nan 0.000 0.486 602 E N -1.593 118.614 120.200 0.012 0.000 2.378 602 E HA 0.666 5.015 4.350 -0.001 0.000 0.265 602 E C -0.694 175.855 176.600 -0.085 0.000 0.932 602 E CA -0.605 55.779 56.400 -0.027 0.000 0.795 602 E CB 2.742 32.421 29.700 -0.035 0.000 1.296 602 E HN 0.438 nan 8.360 nan 0.000 0.438 603 V N 1.670 121.540 119.914 -0.072 0.000 2.532 603 V HA 0.552 4.672 4.120 -0.001 0.000 0.295 603 V C 0.478 176.510 176.094 -0.103 0.000 1.041 603 V CA 0.043 62.282 62.300 -0.101 0.000 0.926 603 V CB 1.117 32.900 31.823 -0.068 0.000 0.992 603 V HN 0.903 nan 8.190 nan 0.000 0.457 604 A N 4.116 126.858 122.820 -0.131 0.000 1.941 604 A HA 0.366 4.686 4.320 -0.001 0.000 0.214 604 A C 0.800 178.332 177.584 -0.086 0.000 1.368 604 A CA 0.431 52.402 52.037 -0.109 0.000 0.651 604 A CB 0.169 19.089 19.000 -0.132 0.000 1.064 604 A HN 0.727 nan 8.150 nan 0.000 0.492 605 K N 0.135 120.479 120.400 -0.093 0.000 2.316 605 K HA 0.561 4.880 4.320 -0.001 0.000 0.251 605 K C -1.559 175.002 176.600 -0.065 0.000 0.934 605 K CA -0.638 55.607 56.287 -0.070 0.000 0.802 605 K CB 2.646 35.106 32.500 -0.066 0.000 1.171 605 K HN 0.133 nan 8.250 nan 0.000 0.426 606 V N -0.385 119.499 119.914 -0.049 0.000 2.276 606 V HA 0.269 4.389 4.120 -0.001 0.000 0.268 606 V C -0.613 175.459 176.094 -0.035 0.000 1.032 606 V CA -0.918 61.357 62.300 -0.042 0.000 0.810 606 V CB 0.518 32.318 31.823 -0.038 0.000 1.060 606 V HN 0.702 nan 8.190 nan 0.000 0.446 607 D N 3.541 123.921 120.400 -0.035 0.000 2.387 607 D HA 0.603 5.242 4.640 -0.001 0.000 0.251 607 D C 1.419 177.699 176.300 -0.033 0.000 1.141 607 D CA 0.503 54.485 54.000 -0.030 0.000 0.987 607 D CB 1.943 42.727 40.800 -0.028 0.000 1.116 607 D HN 0.471 nan 8.370 nan 0.000 0.491 608 G N 0.069 108.849 108.800 -0.032 0.000 2.920 608 G HA2 -0.107 3.853 3.960 -0.001 0.000 0.208 608 G HA3 -0.107 3.853 3.960 -0.001 0.000 0.208 608 G C 0.850 175.713 174.900 -0.062 0.000 1.159 608 G CA 0.171 45.245 45.100 -0.044 0.000 0.784 608 G HN 0.520 nan 8.290 nan 0.000 0.535 609 N N -0.788 117.885 118.700 -0.044 0.000 2.382 609 N HA 0.151 4.891 4.740 -0.001 0.000 0.200 609 N C 0.235 175.731 175.510 -0.024 0.000 1.122 609 N CA -0.208 52.818 53.050 -0.039 0.000 0.870 609 N CB 0.720 39.193 38.487 -0.023 0.000 1.176 609 N HN 0.302 nan 8.380 nan 0.000 0.474 610 R N 0.430 120.918 120.500 -0.019 0.000 2.629 610 R HA 0.465 4.804 4.340 -0.001 0.000 0.266 610 R C -1.832 174.460 176.300 -0.014 0.000 1.051 610 R CA -0.693 55.405 56.100 -0.003 0.000 0.895 610 R CB 0.786 31.087 30.300 0.000 0.000 1.246 610 R HN -0.103 nan 8.270 nan 0.000 0.459 611 I N 1.593 122.166 120.570 0.004 0.000 2.495 611 I HA 0.306 4.475 4.170 -0.001 0.000 0.277 611 I C -0.617 175.429 176.117 -0.119 0.000 1.045 611 I CA -1.247 60.033 61.300 -0.034 0.000 1.135 611 I CB 2.016 40.019 38.000 0.004 0.000 1.241 611 I HN 0.289 nan 8.210 nan 0.000 0.469 612 V N 6.520 126.336 119.914 -0.163 0.000 2.353 612 V HA 0.247 4.366 4.120 -0.001 0.000 0.264 612 V C 0.599 176.496 176.094 -0.329 0.000 1.049 612 V CA -0.608 61.530 62.300 -0.270 0.000 0.896 612 V CB 0.855 32.564 31.823 -0.191 0.000 1.025 612 V HN 0.525 nan 8.190 nan 0.000 0.475 613 V N 3.073 122.678 119.914 -0.515 0.000 2.863 613 V HA 0.589 4.709 4.120 -0.001 0.000 0.307 613 V C 0.231 175.901 176.094 -0.707 0.000 1.061 613 V CA -1.074 60.895 62.300 -0.551 0.000 1.024 613 V CB 1.300 32.761 31.823 -0.604 0.000 1.049 613 V HN 0.882 nan 8.190 nan 0.000 0.471 614 R N 1.474 121.653 120.500 -0.535 0.000 2.320 614 R HA 0.419 4.759 4.340 -0.001 0.000 0.319 614 R C -1.237 174.866 176.300 -0.329 0.000 0.969 614 R CA -0.484 55.362 56.100 -0.422 0.000 0.857 614 R CB 0.538 30.712 30.300 -0.211 0.000 1.160 614 R HN 0.836 nan 8.270 nan 0.000 0.491 615 Y N 1.437 121.700 120.300 -0.061 0.000 2.299 615 Y HA 0.040 4.589 4.550 -0.001 0.000 0.335 615 Y C 1.427 177.310 175.900 -0.028 0.000 1.287 615 Y CA -0.799 57.278 58.100 -0.038 0.000 1.424 615 Y CB 0.851 39.293 38.460 -0.030 0.000 1.326 615 Y HN 0.513 nan 8.280 nan 0.000 0.567 616 E N 0.936 121.231 120.200 0.159 0.000 2.482 616 E HA -0.096 4.253 4.350 -0.001 0.000 0.196 616 E C 0.591 177.227 176.600 0.060 0.000 1.047 616 E CA 0.578 57.023 56.400 0.075 0.000 0.869 616 E CB -0.349 29.383 29.700 0.053 0.000 0.836 616 E HN 0.688 nan 8.360 nan 0.000 0.520 617 D N -0.941 119.509 120.400 0.082 0.000 2.336 617 D HA 0.105 4.744 4.640 -0.001 0.000 0.229 617 D C 1.171 177.497 176.300 0.043 0.000 1.061 617 D CA 0.627 54.658 54.000 0.053 0.000 0.875 617 D CB 0.016 40.848 40.800 0.052 0.000 0.904 617 D HN 0.101 nan 8.370 nan 0.000 0.525 618 G N 0.199 109.023 108.800 0.039 0.000 2.132 618 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.234 618 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.234 618 G C 0.044 174.949 174.900 0.008 0.000 0.989 618 G CA -0.290 44.818 45.100 0.014 0.000 0.676 618 G HN 0.468 nan 8.290 nan 0.000 0.522 619 R N -0.710 119.806 120.500 0.028 0.000 2.832 619 R HA 0.851 5.190 4.340 -0.001 0.000 0.271 619 R C -0.324 175.931 176.300 -0.076 0.000 0.996 619 R CA -0.934 55.174 56.100 0.013 0.000 0.977 619 R CB 1.429 31.778 30.300 0.082 0.000 1.168 619 R HN 0.551 nan 8.270 nan 0.000 0.482 620 L N -1.786 119.364 121.223 -0.122 0.000 2.470 620 L HA 0.690 5.030 4.340 -0.001 0.000 0.268 620 L C -0.963 175.769 176.870 -0.231 0.000 0.964 620 L CA -0.987 53.696 54.840 -0.263 0.000 0.839 620 L CB 2.011 43.941 42.059 -0.214 0.000 1.276 620 L HN 0.321 nan 8.230 nan 0.000 0.403 621 V N 0.154 119.845 119.914 -0.372 0.000 2.628 621 V HA 0.560 4.680 4.120 -0.001 0.000 0.306 621 V C -0.145 175.712 176.094 -0.395 0.000 1.045 621 V CA -0.592 61.539 62.300 -0.282 0.000 0.905 621 V CB 1.702 33.400 31.823 -0.208 0.000 0.997 621 V HN 0.935 nan 8.190 nan 0.000 0.436 622 E N 2.919 123.014 120.200 -0.174 0.000 2.152 622 E HA 0.258 4.608 4.350 -0.001 0.000 0.285 622 E C -1.441 175.212 176.600 0.088 0.000 1.043 622 E CA -0.427 55.915 56.400 -0.097 0.000 0.839 622 E CB 0.598 30.278 29.700 -0.033 0.000 1.069 622 E HN 0.776 nan 8.360 nan 0.000 0.399 623 Y N 5.884 126.166 120.300 -0.032 0.000 2.595 623 Y HA 0.253 4.802 4.550 -0.001 0.000 0.336 623 Y C -1.954 173.924 175.900 -0.038 0.000 0.996 623 Y CA -2.820 55.265 58.100 -0.025 0.000 1.260 623 Y CB 1.052 39.501 38.460 -0.019 0.000 1.108 623 Y HN 0.470 nan 8.280 nan 0.000 0.509 624 P HA 0.033 nan 4.420 nan 0.000 0.270 624 P C -0.883 176.419 177.300 0.003 0.000 1.227 624 P CA 0.221 63.349 63.100 0.047 0.000 0.788 624 P CB 0.779 32.500 31.700 0.035 0.000 0.926 625 L N 1.639 122.849 121.223 -0.022 0.000 2.406 625 L HA 0.421 4.760 4.340 -0.001 0.000 0.272 625 L C 0.489 177.317 176.870 -0.071 0.000 0.980 625 L CA -0.830 53.969 54.840 -0.069 0.000 0.831 625 L CB 1.625 43.637 42.059 -0.079 0.000 1.253 625 L HN 0.205 nan 8.230 nan 0.000 0.406 626 R N 3.733 124.155 120.500 -0.131 0.000 2.723 626 R HA -0.070 4.270 4.340 -0.001 0.000 0.358 626 R C 1.058 177.360 176.300 0.003 0.000 0.966 626 R CA -0.019 56.017 56.100 -0.107 0.000 1.022 626 R CB -0.074 29.938 30.300 -0.480 0.000 0.945 626 R HN 0.687 nan 8.270 nan 0.000 0.420 627 R N 1.894 122.421 120.500 0.046 0.000 2.205 627 R HA -0.143 4.196 4.340 -0.001 0.000 0.221 627 R C -0.002 175.978 176.300 -0.534 0.000 1.101 627 R CA 1.203 57.144 56.100 -0.265 0.000 0.869 627 R CB -0.229 29.989 30.300 -0.135 0.000 0.815 627 R HN 0.245 nan 8.270 nan 0.000 0.434 628 F N -0.081 119.956 119.950 0.145 0.000 2.828 628 F HA 0.401 4.927 4.527 -0.001 0.000 0.355 628 F C -1.181 174.666 175.800 0.078 0.000 1.200 628 F CA -1.080 56.985 58.000 0.107 0.000 1.062 628 F CB 1.482 40.500 39.000 0.031 0.000 1.351 628 F HN 0.018 nan 8.300 nan 0.000 0.504 629 Y N 0.868 121.264 120.300 0.159 0.000 2.446 629 Y HA 0.620 5.169 4.550 -0.001 0.000 0.338 629 Y C 0.282 176.234 175.900 0.086 0.000 1.055 629 Y CA -1.275 56.882 58.100 0.095 0.000 1.101 629 Y CB 1.448 39.927 38.460 0.032 0.000 1.221 629 Y HN 0.340 nan 8.280 nan 0.000 0.460 630 R N 1.861 122.496 120.500 0.225 0.000 2.242 630 R HA 0.273 4.612 4.340 -0.001 0.000 0.334 630 R C -0.166 176.182 176.300 0.080 0.000 1.071 630 R CA -0.241 55.934 56.100 0.125 0.000 0.922 630 R CB 0.063 30.444 30.300 0.134 0.000 1.023 630 R HN 0.662 nan 8.270 nan 0.000 0.458 631 S N 3.204 118.912 115.700 0.013 0.000 2.593 631 S HA 0.058 4.528 4.470 -0.001 0.000 0.269 631 S C 1.016 175.587 174.600 -0.048 0.000 1.334 631 S CA -0.416 57.767 58.200 -0.028 0.000 1.015 631 S CB 0.937 64.098 63.200 -0.065 0.000 0.912 631 S HN 0.731 nan 8.310 nan 0.000 0.541 632 N N 1.294 119.953 118.700 -0.067 0.000 2.091 632 N HA -0.110 4.629 4.740 -0.001 0.000 0.193 632 N C 1.126 176.656 175.510 0.033 0.000 1.021 632 N CA 1.519 54.533 53.050 -0.059 0.000 0.862 632 N CB -0.269 38.134 38.487 -0.140 0.000 1.018 632 N HN 0.603 nan 8.380 nan 0.000 0.429 633 Q N -0.657 119.119 119.800 -0.040 0.000 2.222 633 Q HA 0.287 4.627 4.340 -0.001 0.000 0.206 633 Q C 0.513 176.448 176.000 -0.108 0.000 0.877 633 Q CA 0.242 55.995 55.803 -0.083 0.000 0.958 633 Q CB -0.128 28.458 28.738 -0.252 0.000 1.075 633 Q HN 0.379 nan 8.270 nan 0.000 0.483 634 G N 1.764 110.492 108.800 -0.119 0.000 2.246 634 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.273 634 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.273 634 G C 0.189 174.730 174.900 -0.599 0.000 1.055 634 G CA 0.682 45.638 45.100 -0.239 0.000 0.851 634 G HN 0.396 nan 8.290 nan 0.000 0.500 635 T N -2.022 112.315 114.554 -0.361 0.000 2.952 635 T HA 0.838 5.188 4.350 -0.001 0.000 0.286 635 T C 0.402 175.034 174.700 -0.113 0.000 1.024 635 T CA -0.060 61.857 62.100 -0.306 0.000 1.029 635 T CB 2.317 71.102 68.868 -0.139 0.000 1.094 635 T HN 1.608 nan 8.240 nan 0.000 0.515 636 A N 1.661 124.469 122.820 -0.021 0.000 2.331 636 A HA 0.668 4.988 4.320 -0.001 0.000 0.283 636 A C -0.193 177.460 177.584 0.116 0.000 1.142 636 A CA -0.878 51.215 52.037 0.094 0.000 0.812 636 A CB -0.257 18.826 19.000 0.139 0.000 1.074 636 A HN 0.829 nan 8.150 nan 0.000 0.497 637 L N 4.164 125.482 121.223 0.159 0.000 2.384 637 L HA 0.387 4.727 4.340 -0.001 0.000 0.261 637 L C -0.984 175.931 176.870 0.076 0.000 1.024 637 L CA -0.613 54.279 54.840 0.086 0.000 0.899 637 L CB 0.818 42.899 42.059 0.037 0.000 1.243 637 L HN 0.774 nan 8.230 nan 0.000 0.449 638 D N 1.691 122.112 120.400 0.035 0.000 2.481 638 D HA 0.286 4.926 4.640 -0.001 0.000 0.244 638 D C -0.862 175.367 176.300 -0.118 0.000 1.057 638 D CA -0.713 53.221 54.000 -0.110 0.000 0.848 638 D CB 2.197 42.883 40.800 -0.188 0.000 1.388 638 D HN 0.366 nan 8.370 nan 0.000 0.475 639 Q N 1.435 121.137 119.800 -0.165 0.000 2.368 639 Q HA 0.350 4.689 4.340 -0.001 0.000 0.256 639 Q C -0.615 175.304 176.000 -0.135 0.000 0.980 639 Q CA -0.545 55.174 55.803 -0.140 0.000 0.887 639 Q CB 1.765 30.417 28.738 -0.143 0.000 1.221 639 Q HN 0.180 nan 8.270 nan 0.000 0.458 640 R N 3.252 123.688 120.500 -0.106 0.000 2.204 640 R HA 0.318 4.657 4.340 -0.001 0.000 0.341 640 R C -2.505 173.747 176.300 -0.079 0.000 1.035 640 R CA -1.979 54.070 56.100 -0.086 0.000 0.887 640 R CB 0.191 30.457 30.300 -0.057 0.000 1.114 640 R HN 0.313 nan 8.270 nan 0.000 0.473 641 P HA -0.056 nan 4.420 nan 0.000 0.262 641 P C 0.120 177.385 177.300 -0.058 0.000 1.182 641 P CA 0.047 63.111 63.100 -0.060 0.000 0.761 641 P CB 0.707 32.379 31.700 -0.047 0.000 0.795 642 R N 1.784 122.246 120.500 -0.063 0.000 2.437 642 R HA 0.199 4.538 4.340 -0.001 0.000 0.257 642 R C -0.352 175.918 176.300 -0.050 0.000 0.927 642 R CA 0.044 56.106 56.100 -0.062 0.000 1.078 642 R CB 0.425 30.675 30.300 -0.083 0.000 1.161 642 R HN 0.286 nan 8.270 nan 0.000 0.529 643 V N 2.260 122.149 119.914 -0.041 0.000 2.483 643 V HA 0.273 4.393 4.120 -0.001 0.000 0.295 643 V C 0.772 176.848 176.094 -0.031 0.000 1.035 643 V CA -1.059 61.223 62.300 -0.031 0.000 0.896 643 V CB 1.824 33.635 31.823 -0.020 0.000 0.986 643 V HN -0.056 nan 8.190 nan 0.000 0.447 644 V N 3.348 123.245 119.914 -0.028 0.000 3.214 644 V HA 0.566 4.686 4.120 -0.001 0.000 0.306 644 V C 0.322 176.398 176.094 -0.030 0.000 1.078 644 V CA -0.633 61.650 62.300 -0.028 0.000 1.077 644 V CB 1.279 33.087 31.823 -0.025 0.000 1.121 644 V HN 0.615 nan 8.190 nan 0.000 0.468 645 V N 1.014 120.909 119.914 -0.031 0.000 2.585 645 V HA 0.560 4.679 4.120 -0.001 0.000 0.296 645 V C 1.238 177.312 176.094 -0.034 0.000 1.035 645 V CA 0.234 62.512 62.300 -0.036 0.000 1.084 645 V CB -0.565 31.237 31.823 -0.035 0.000 0.953 645 V HN 2.152 nan 8.190 nan 0.000 0.483 646 G N 3.034 111.810 108.800 -0.041 0.000 2.502 646 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.273 646 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.273 646 G C -0.406 174.478 174.900 -0.027 0.000 1.021 646 G CA 0.387 45.465 45.100 -0.037 0.000 1.333 646 G HN 1.065 nan 8.290 nan 0.000 0.508 647 Q N 0.352 120.137 119.800 -0.025 0.000 2.274 647 Q HA 0.361 4.701 4.340 -0.001 0.000 0.268 647 Q C 0.476 176.474 176.000 -0.002 0.000 1.015 647 Q CA -1.033 54.762 55.803 -0.013 0.000 0.775 647 Q CB 1.287 30.017 28.738 -0.013 0.000 1.256 647 Q HN 0.634 nan 8.270 nan 0.000 0.442 648 R N 1.905 122.408 120.500 0.004 0.000 2.399 648 R HA 0.166 4.506 4.340 -0.001 0.000 0.324 648 R C 0.130 176.447 176.300 0.029 0.000 1.030 648 R CA -0.175 55.936 56.100 0.018 0.000 0.984 648 R CB -0.416 29.893 30.300 0.014 0.000 0.961 648 R HN 0.303 nan 8.270 nan 0.000 0.433 649 V N 0.839 120.784 119.914 0.052 0.000 2.472 649 V HA 0.454 4.574 4.120 -0.001 0.000 0.290 649 V C 0.490 176.622 176.094 0.063 0.000 1.037 649 V CA -1.319 61.019 62.300 0.063 0.000 0.908 649 V CB 1.437 33.318 31.823 0.096 0.000 0.985 649 V HN 0.814 nan 8.190 nan 0.000 0.454 650 R N 2.713 123.241 120.500 0.047 0.000 2.490 650 R HA 0.396 4.735 4.340 -0.001 0.000 0.278 650 R C 0.003 176.323 176.300 0.033 0.000 1.069 650 R CA -0.748 55.372 56.100 0.033 0.000 1.080 650 R CB 0.913 31.228 30.300 0.024 0.000 1.030 650 R HN 0.875 nan 8.270 nan 0.000 0.491 651 K N 1.654 122.057 120.400 0.006 0.000 2.453 651 K HA 0.026 4.345 4.320 -0.001 0.000 0.280 651 K C 0.355 176.955 176.600 0.000 0.000 1.045 651 K CA 1.188 57.465 56.287 -0.017 0.000 1.059 651 K CB -0.055 32.419 32.500 -0.044 0.000 0.901 651 K HN 0.922 nan 8.250 nan 0.000 0.475 652 G N 3.090 111.906 108.800 0.027 0.000 2.171 652 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.238 652 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.238 652 G C -0.535 174.448 174.900 0.139 0.000 1.039 652 G CA 0.131 45.252 45.100 0.035 0.000 0.759 652 G HN 0.774 nan 8.290 nan 0.000 0.501 653 D N 0.152 120.662 120.400 0.182 0.000 2.185 653 D HA 0.503 5.142 4.640 -0.001 0.000 0.247 653 D C 1.322 177.729 176.300 0.177 0.000 1.027 653 D CA -0.685 53.421 54.000 0.177 0.000 0.861 653 D CB 1.267 42.119 40.800 0.087 0.000 1.202 653 D HN 0.600 nan 8.370 nan 0.000 0.453 654 L N 1.427 122.700 121.223 0.084 0.000 2.513 654 L HA 0.208 4.547 4.340 -0.001 0.000 0.272 654 L C 0.461 177.274 176.870 -0.096 0.000 1.187 654 L CA -0.235 54.513 54.840 -0.153 0.000 0.895 654 L CB 0.404 42.339 42.059 -0.206 0.000 1.147 654 L HN 0.368 nan 8.230 nan 0.000 0.483 655 L N 3.690 124.848 121.223 -0.108 0.000 2.316 655 L HA 0.492 4.832 4.340 -0.001 0.000 0.207 655 L C 1.078 177.904 176.870 -0.073 0.000 1.070 655 L CA 0.587 55.404 54.840 -0.037 0.000 0.820 655 L CB -0.139 41.953 42.059 0.057 0.000 0.992 655 L HN 0.883 nan 8.230 nan 0.000 0.466 656 A N -0.633 122.107 122.820 -0.133 0.000 2.475 656 A HA 0.575 4.895 4.320 -0.001 0.000 0.301 656 A C -1.692 175.779 177.584 -0.188 0.000 1.059 656 A CA -0.522 51.433 52.037 -0.136 0.000 0.710 656 A CB 1.308 20.238 19.000 -0.117 0.000 1.288 656 A HN 0.003 nan 8.150 nan 0.000 0.408 657 D N 0.487 120.799 120.400 -0.148 0.000 2.175 657 D HA 0.513 5.153 4.640 -0.001 0.000 0.248 657 D C 0.956 177.183 176.300 -0.123 0.000 1.047 657 D CA 0.768 54.682 54.000 -0.144 0.000 0.883 657 D CB 1.486 42.223 40.800 -0.105 0.000 1.180 657 D HN 0.760 nan 8.370 nan 0.000 0.438 658 G N 1.554 110.284 108.800 -0.116 0.000 2.631 658 G HA2 0.096 4.056 3.960 -0.001 0.000 0.271 658 G HA3 0.096 4.056 3.960 -0.001 0.000 0.271 658 G C -1.448 173.423 174.900 -0.048 0.000 1.302 658 G CA -0.726 44.322 45.100 -0.087 0.000 1.002 658 G HN 0.345 nan 8.290 nan 0.000 0.519 659 P HA -0.075 nan 4.420 nan 0.000 0.216 659 P C 0.933 178.245 177.300 0.019 0.000 1.153 659 P CA 2.454 65.556 63.100 0.004 0.000 0.858 659 P CB 0.224 31.928 31.700 0.007 0.000 0.789 660 A N -1.517 121.313 122.820 0.017 0.000 2.705 660 A HA 0.402 4.721 4.320 -0.001 0.000 0.294 660 A C 0.210 177.814 177.584 0.032 0.000 1.039 660 A CA -0.153 51.904 52.037 0.033 0.000 1.005 660 A CB -0.273 18.756 19.000 0.049 0.000 1.192 660 A HN 0.158 nan 8.150 nan 0.000 0.513 661 S N -1.354 114.351 115.700 0.008 0.000 2.501 661 S HA 0.525 4.994 4.470 -0.001 0.000 0.301 661 S C 0.493 175.085 174.600 -0.013 0.000 1.096 661 S CA -0.361 57.843 58.200 0.007 0.000 1.063 661 S CB 2.098 65.288 63.200 -0.018 0.000 1.042 661 S HN 0.398 nan 8.310 nan 0.000 0.494 662 E N 1.822 122.022 120.200 -0.001 0.000 2.022 662 E HA 0.011 4.360 4.350 -0.001 0.000 0.190 662 E C -0.310 176.232 176.600 -0.096 0.000 0.973 662 E CA 0.583 56.970 56.400 -0.021 0.000 0.816 662 E CB 0.102 29.821 29.700 0.032 0.000 0.781 662 E HN 0.771 nan 8.360 nan 0.000 0.456 663 N N -0.639 117.947 118.700 -0.189 0.000 2.725 663 N HA 0.167 4.906 4.740 -0.001 0.000 0.248 663 N C -0.204 174.953 175.510 -0.588 0.000 1.402 663 N CA 0.510 53.345 53.050 -0.358 0.000 0.766 663 N CB 1.431 39.667 38.487 -0.418 0.000 1.223 663 N HN 0.398 nan 8.380 nan 0.000 0.515 664 G N 0.673 109.292 108.800 -0.301 0.000 2.205 664 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.269 664 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.269 664 G C -0.055 174.861 174.900 0.027 0.000 0.977 664 G CA 0.490 45.492 45.100 -0.164 0.000 0.652 664 G HN 0.508 nan 8.290 nan 0.000 0.539 665 F N -0.650 119.307 119.950 0.013 0.000 2.425 665 F HA 0.601 5.127 4.527 -0.001 0.000 0.331 665 F C 0.702 176.495 175.800 -0.012 0.000 1.085 665 F CA -1.590 56.408 58.000 -0.003 0.000 1.028 665 F CB 1.205 40.193 39.000 -0.020 0.000 1.177 665 F HN 0.013 nan 8.300 nan 0.000 0.487 666 L N 3.043 124.375 121.223 0.182 0.000 2.499 666 L HA 0.382 4.721 4.340 -0.001 0.000 0.273 666 L C -0.272 176.637 176.870 0.065 0.000 1.195 666 L CA 0.187 55.080 54.840 0.087 0.000 0.882 666 L CB 0.012 42.096 42.059 0.041 0.000 1.133 666 L HN 0.639 nan 8.230 nan 0.000 0.483 667 A N 6.350 129.216 122.820 0.078 0.000 2.414 667 A HA 0.717 5.036 4.320 -0.001 0.000 0.286 667 A C -1.765 175.902 177.584 0.139 0.000 1.073 667 A CA -0.526 51.571 52.037 0.100 0.000 0.727 667 A CB 0.759 19.818 19.000 0.098 0.000 1.215 667 A HN 0.542 nan 8.150 nan 0.000 0.430 668 L N 1.557 122.924 121.223 0.241 0.000 2.446 668 L HA 0.871 5.211 4.340 -0.001 0.000 0.268 668 L C 0.514 177.543 176.870 0.265 0.000 0.975 668 L CA 0.332 55.303 54.840 0.220 0.000 0.848 668 L CB 0.995 43.174 42.059 0.201 0.000 1.225 668 L HN 1.825 nan 8.230 nan 0.000 0.410 669 G N 1.900 110.741 108.800 0.067 0.000 2.756 669 G HA2 0.066 4.026 3.960 -0.001 0.000 0.678 669 G HA3 0.066 4.026 3.960 -0.001 0.000 0.678 669 G C -1.293 173.649 174.900 0.070 0.000 1.349 669 G CA -0.734 44.295 45.100 -0.118 0.000 0.847 669 G HN 0.653 nan 8.290 nan 0.000 0.548 670 Q N -0.799 118.996 119.800 -0.009 0.000 2.544 670 Q HA 0.391 4.731 4.340 -0.001 0.000 0.291 670 Q C -0.414 175.790 176.000 0.339 0.000 1.068 670 Q CA -1.014 54.959 55.803 0.283 0.000 0.785 670 Q CB 1.551 30.511 28.738 0.371 0.000 1.481 670 Q HN 0.684 nan 8.270 nan 0.000 0.430 671 N N 0.765 119.708 118.700 0.405 0.000 2.401 671 N HA 0.276 5.016 4.740 -0.001 0.000 0.255 671 N C -0.417 175.203 175.510 0.183 0.000 1.110 671 N CA -0.238 53.008 53.050 0.327 0.000 0.949 671 N CB 0.870 39.559 38.487 0.337 0.000 1.110 671 N HN 0.294 nan 8.380 nan 0.000 0.490 672 V N 0.892 120.838 119.914 0.053 0.000 2.769 672 V HA 0.502 4.622 4.120 -0.001 0.000 0.312 672 V C -0.056 176.011 176.094 -0.046 0.000 1.061 672 V CA -1.159 61.081 62.300 -0.099 0.000 0.931 672 V CB 1.681 33.350 31.823 -0.257 0.000 1.010 672 V HN 0.454 nan 8.190 nan 0.000 0.433 673 L N 3.571 124.739 121.223 -0.091 0.000 2.410 673 L HA 0.626 4.966 4.340 -0.001 0.000 0.273 673 L C -0.207 176.595 176.870 -0.114 0.000 1.152 673 L CA 0.067 54.816 54.840 -0.152 0.000 0.855 673 L CB 1.391 43.269 42.059 -0.303 0.000 1.129 673 L HN 0.787 nan 8.230 nan 0.000 0.463 674 V N 5.057 124.924 119.914 -0.078 0.000 2.760 674 V HA 0.776 4.895 4.120 -0.001 0.000 0.309 674 V C -0.503 175.576 176.094 -0.024 0.000 1.077 674 V CA -0.366 61.901 62.300 -0.056 0.000 0.910 674 V CB 1.979 33.775 31.823 -0.045 0.000 1.008 674 V HN 0.830 nan 8.190 nan 0.000 0.424 675 A N 6.449 129.261 122.820 -0.012 0.000 2.274 675 A HA 0.651 4.970 4.320 -0.001 0.000 0.309 675 A C 0.006 177.607 177.584 0.029 0.000 1.226 675 A CA -0.418 51.634 52.037 0.025 0.000 0.853 675 A CB 0.665 19.695 19.000 0.050 0.000 1.146 675 A HN 1.185 nan 8.150 nan 0.000 0.518 676 I N 4.501 125.092 120.570 0.036 0.000 2.320 676 I HA 0.313 4.482 4.170 -0.001 0.000 0.283 676 I C -0.338 175.807 176.117 0.046 0.000 1.086 676 I CA -0.150 61.167 61.300 0.029 0.000 1.539 676 I CB -0.818 37.194 38.000 0.019 0.000 1.504 676 I HN 0.751 nan 8.210 nan 0.000 0.661 677 M N 3.787 123.432 119.600 0.074 0.000 2.719 677 M HA 0.745 5.224 4.480 -0.001 0.000 0.291 677 M C -2.892 173.488 176.300 0.132 0.000 1.264 677 M CA -2.022 53.335 55.300 0.095 0.000 0.811 677 M CB 1.169 33.841 32.600 0.119 0.000 1.756 677 M HN -0.150 nan 8.290 nan 0.000 0.464 678 P HA 0.485 nan 4.420 nan 0.000 0.286 678 P C -1.560 175.881 177.300 0.234 0.000 1.261 678 P CA -0.211 62.975 63.100 0.144 0.000 0.821 678 P CB 0.784 32.527 31.700 0.072 0.000 1.013 679 F N 0.771 120.756 119.950 0.057 0.000 2.656 679 F HA 0.285 4.811 4.527 -0.001 0.000 0.394 679 F C 1.599 177.410 175.800 0.018 0.000 1.168 679 F CA -0.249 57.801 58.000 0.083 0.000 1.135 679 F CB 0.412 39.516 39.000 0.172 0.000 1.480 679 F HN 0.257 nan 8.300 nan 0.000 0.500 680 D N 0.246 120.663 120.400 0.028 0.000 2.225 680 D HA -0.052 4.587 4.640 -0.001 0.000 0.229 680 D C 1.404 177.557 176.300 -0.245 0.000 1.096 680 D CA 2.319 56.196 54.000 -0.206 0.000 0.964 680 D CB -0.682 39.898 40.800 -0.366 0.000 1.336 680 D HN 0.600 nan 8.370 nan 0.000 0.511 681 G N -2.228 106.247 108.800 -0.543 0.000 4.008 681 G HA2 0.030 3.989 3.960 -0.001 0.000 0.278 681 G HA3 0.030 3.989 3.960 -0.001 0.000 0.278 681 G C 0.301 175.092 174.900 -0.182 0.000 1.021 681 G CA -0.282 44.649 45.100 -0.281 0.000 0.833 681 G HN 0.117 nan 8.290 nan 0.000 0.454 682 Y N 1.868 122.264 120.300 0.159 0.000 2.352 682 Y HA -0.009 4.541 4.550 -0.001 0.000 0.292 682 Y C 1.163 177.135 175.900 0.121 0.000 1.136 682 Y CA 0.676 58.850 58.100 0.123 0.000 1.227 682 Y CB -0.155 38.375 38.460 0.118 0.000 0.991 682 Y HN 0.418 nan 8.280 nan 0.000 0.545 683 N N -1.226 117.615 118.700 0.235 0.000 2.844 683 N HA 0.158 4.898 4.740 -0.001 0.000 0.268 683 N C 0.033 175.647 175.510 0.172 0.000 1.574 683 N CA -0.481 52.673 53.050 0.172 0.000 0.838 683 N CB -0.417 38.146 38.487 0.127 0.000 1.177 683 N HN 0.082 nan 8.380 nan 0.000 0.495 684 F N 1.155 121.118 119.950 0.022 0.000 2.084 684 F HA 0.321 4.848 4.527 -0.001 0.000 0.283 684 F C 1.809 177.612 175.800 0.005 0.000 1.141 684 F CA 1.122 59.123 58.000 0.002 0.000 1.146 684 F CB 0.075 39.068 39.000 -0.012 0.000 1.035 684 F HN 0.310 nan 8.300 nan 0.000 0.485 685 E N -1.166 118.576 120.200 -0.763 0.000 2.162 685 E HA 0.033 4.382 4.350 -0.001 0.000 0.193 685 E C -0.399 176.048 176.600 -0.256 0.000 0.953 685 E CA 0.730 56.710 56.400 -0.700 0.000 0.849 685 E CB 0.501 29.733 29.700 -0.780 0.000 0.810 685 E HN 0.334 nan 8.360 nan 0.000 0.470 686 D N -0.267 120.067 120.400 -0.111 0.000 3.602 686 D HA 0.268 4.908 4.640 -0.001 0.000 0.275 686 D C -1.637 174.676 176.300 0.022 0.000 1.348 686 D CA 0.059 54.038 54.000 -0.035 0.000 0.768 686 D CB 0.757 41.537 40.800 -0.034 0.000 1.373 686 D HN 0.159 nan 8.370 nan 0.000 0.683 687 A N 0.502 123.354 122.820 0.053 0.000 2.356 687 A HA 0.824 5.144 4.320 -0.001 0.000 0.323 687 A C -0.730 176.885 177.584 0.052 0.000 1.119 687 A CA -0.463 51.622 52.037 0.080 0.000 0.790 687 A CB 1.341 20.433 19.000 0.154 0.000 1.273 687 A HN 0.162 nan 8.150 nan 0.000 0.452 688 I N 0.966 121.550 120.570 0.024 0.000 2.509 688 I HA 0.402 4.571 4.170 -0.001 0.000 0.293 688 I C -0.482 175.611 176.117 -0.040 0.000 1.020 688 I CA -0.388 60.900 61.300 -0.019 0.000 1.088 688 I CB 2.226 40.189 38.000 -0.061 0.000 1.267 688 I HN 0.342 nan 8.210 nan 0.000 0.430 689 V N 7.126 126.996 119.914 -0.073 0.000 2.364 689 V HA 0.436 4.555 4.120 -0.001 0.000 0.272 689 V C 0.009 175.986 176.094 -0.196 0.000 1.036 689 V CA -0.560 61.652 62.300 -0.147 0.000 0.880 689 V CB 1.145 32.831 31.823 -0.229 0.000 0.991 689 V HN 0.537 nan 8.190 nan 0.000 0.460 690 I N 3.703 124.155 120.570 -0.197 0.000 2.441 690 I HA 0.504 4.673 4.170 -0.001 0.000 0.295 690 I C 0.374 176.381 176.117 -0.184 0.000 0.994 690 I CA -0.126 61.052 61.300 -0.204 0.000 1.144 690 I CB 2.000 39.876 38.000 -0.207 0.000 1.314 690 I HN 0.645 nan 8.210 nan 0.000 0.445 691 S N 5.519 121.120 115.700 -0.165 0.000 2.474 691 S HA 0.075 4.544 4.470 -0.001 0.000 0.276 691 S C 1.157 175.709 174.600 -0.078 0.000 1.227 691 S CA -0.204 57.925 58.200 -0.118 0.000 1.050 691 S CB 0.702 63.847 63.200 -0.092 0.000 0.939 691 S HN 0.874 nan 8.310 nan 0.000 0.490 692 E N 3.182 123.344 120.200 -0.063 0.000 2.208 692 E HA -0.294 4.056 4.350 -0.001 0.000 0.202 692 E C 1.391 177.993 176.600 0.002 0.000 1.014 692 E CA 1.844 58.224 56.400 -0.032 0.000 0.819 692 E CB -0.090 29.593 29.700 -0.029 0.000 0.735 692 E HN 0.871 nan 8.360 nan 0.000 0.469 693 E N 0.347 120.552 120.200 0.008 0.000 2.171 693 E HA -0.170 4.180 4.350 -0.001 0.000 0.197 693 E C 2.007 178.669 176.600 0.103 0.000 0.997 693 E CA 1.051 57.480 56.400 0.048 0.000 0.810 693 E CB -0.166 29.559 29.700 0.042 0.000 0.738 693 E HN 0.386 nan 8.360 nan 0.000 0.467 694 L N -0.120 121.148 121.223 0.076 0.000 2.291 694 L HA -0.065 4.274 4.340 -0.001 0.000 0.214 694 L C 2.313 179.307 176.870 0.208 0.000 1.120 694 L CA 0.521 55.455 54.840 0.156 0.000 0.799 694 L CB -0.193 41.857 42.059 -0.015 0.000 0.925 694 L HN 0.284 nan 8.230 nan 0.000 0.446 695 L N -0.562 120.728 121.223 0.112 0.000 2.307 695 L HA -0.095 4.245 4.340 -0.001 0.000 0.211 695 L C 2.471 179.398 176.870 0.094 0.000 1.099 695 L CA 0.605 55.506 54.840 0.101 0.000 0.816 695 L CB -0.014 42.075 42.059 0.050 0.000 0.952 695 L HN 0.203 nan 8.230 nan 0.000 0.455 696 K N 0.817 121.268 120.400 0.086 0.000 1.969 696 K HA -0.172 4.147 4.320 -0.001 0.000 0.216 696 K C 0.596 177.238 176.600 0.069 0.000 1.048 696 K CA 1.209 57.536 56.287 0.067 0.000 0.948 696 K CB -0.362 32.175 32.500 0.062 0.000 0.726 696 K HN 0.357 nan 8.250 nan 0.000 0.442 697 R N 2.566 123.123 120.500 0.094 0.000 2.248 697 R HA 0.128 4.467 4.340 -0.001 0.000 0.328 697 R C -1.266 175.078 176.300 0.073 0.000 1.067 697 R CA -0.259 55.869 56.100 0.047 0.000 0.924 697 R CB 0.020 30.323 30.300 0.006 0.000 1.013 697 R HN 0.004 nan 8.270 nan 0.000 0.454 698 D N 3.621 124.042 120.400 0.036 0.000 2.449 698 D HA -0.074 4.565 4.640 -0.001 0.000 0.278 698 D C -0.180 176.167 176.300 0.078 0.000 1.417 698 D CA 0.576 54.618 54.000 0.069 0.000 1.192 698 D CB -0.149 40.671 40.800 0.033 0.000 1.129 698 D HN 0.569 nan 8.370 nan 0.000 0.539 699 F N 0.426 120.438 119.950 0.103 0.000 2.274 699 F HA 0.074 4.600 4.527 -0.001 0.000 0.288 699 F C 0.454 176.296 175.800 0.070 0.000 1.069 699 F CA 0.178 58.256 58.000 0.130 0.000 1.343 699 F CB 0.486 39.638 39.000 0.255 0.000 1.089 699 F HN 0.169 nan 8.300 nan 0.000 0.517 700 Y N 0.714 121.158 120.300 0.240 0.000 2.863 700 Y HA 0.326 4.875 4.550 -0.001 0.000 0.348 700 Y C -0.636 175.307 175.900 0.071 0.000 1.028 700 Y CA -0.927 57.244 58.100 0.119 0.000 1.213 700 Y CB 0.640 39.125 38.460 0.042 0.000 1.120 700 Y HN -0.257 nan 8.280 nan 0.000 0.598 701 T N 0.270 114.897 114.554 0.122 0.000 2.886 701 T HA 0.599 4.948 4.350 -0.001 0.000 0.292 701 T C -0.751 173.986 174.700 0.061 0.000 1.012 701 T CA -1.025 61.127 62.100 0.087 0.000 0.982 701 T CB 2.001 70.913 68.868 0.074 0.000 1.018 701 T HN 0.264 nan 8.240 nan 0.000 0.451 702 S N 1.838 117.579 115.700 0.067 0.000 2.540 702 S HA 0.707 5.176 4.470 -0.001 0.000 0.275 702 S C -1.144 173.523 174.600 0.112 0.000 1.123 702 S CA -0.796 57.460 58.200 0.092 0.000 0.907 702 S CB 0.383 63.653 63.200 0.115 0.000 1.081 702 S HN 0.502 nan 8.310 nan 0.000 0.476 703 I N 3.885 124.524 120.570 0.114 0.000 2.440 703 I HA 0.548 4.718 4.170 -0.001 0.000 0.294 703 I C 0.086 176.313 176.117 0.182 0.000 0.995 703 I CA -0.093 61.262 61.300 0.091 0.000 1.306 703 I CB 1.038 39.035 38.000 -0.006 0.000 1.407 703 I HN 0.676 nan 8.210 nan 0.000 0.501 704 H N 4.601 123.682 119.070 0.018 0.000 2.930 704 H HA 0.739 5.294 4.556 -0.001 0.000 0.371 704 H C -1.170 174.166 175.328 0.013 0.000 1.169 704 H CA -0.477 55.595 56.048 0.040 0.000 1.157 704 H CB 1.799 31.604 29.762 0.071 0.000 1.789 704 H HN 0.440 nan 8.280 nan 0.000 0.547 705 I N 1.695 122.265 120.570 0.000 0.000 2.647 705 I HA 0.342 4.512 4.170 -0.001 0.000 0.295 705 I C -0.653 175.415 176.117 -0.083 0.000 1.078 705 I CA -0.922 60.370 61.300 -0.014 0.000 1.048 705 I CB 2.313 40.310 38.000 -0.006 0.000 1.239 705 I HN 0.445 nan 8.210 nan 0.000 0.421 706 E N 4.253 124.351 120.200 -0.169 0.000 2.244 706 E HA 0.421 4.770 4.350 -0.001 0.000 0.266 706 E C -0.909 175.315 176.600 -0.627 0.000 0.914 706 E CA -0.776 55.383 56.400 -0.401 0.000 0.794 706 E CB 1.917 31.301 29.700 -0.527 0.000 1.210 706 E HN 0.468 nan 8.360 nan 0.000 0.414 707 R N 4.525 124.593 120.500 -0.719 0.000 2.587 707 R HA 0.220 4.559 4.340 -0.001 0.000 0.283 707 R C -0.958 175.034 176.300 -0.513 0.000 1.472 707 R CA -0.439 55.196 56.100 -0.775 0.000 1.578 707 R CB -0.146 29.590 30.300 -0.941 0.000 1.130 707 R HN 0.538 nan 8.270 nan 0.000 0.602 708 Y N 1.005 121.225 120.300 -0.134 0.000 2.480 708 Y HA 0.139 4.689 4.550 -0.001 0.000 0.338 708 Y C 0.610 176.483 175.900 -0.046 0.000 1.220 708 Y CA 0.185 58.244 58.100 -0.069 0.000 1.430 708 Y CB 0.636 39.074 38.460 -0.036 0.000 1.311 708 Y HN 0.427 nan 8.280 nan 0.000 0.575 709 E N 2.903 123.176 120.200 0.121 0.000 2.331 709 E HA 0.647 4.996 4.350 -0.001 0.000 0.275 709 E C -1.917 174.724 176.600 0.067 0.000 0.895 709 E CA -0.809 55.638 56.400 0.079 0.000 0.753 709 E CB 2.274 31.998 29.700 0.040 0.000 1.216 709 E HN 0.705 nan 8.360 nan 0.000 0.434 710 I N 1.920 122.524 120.570 0.056 0.000 2.894 710 I HA 0.440 4.609 4.170 -0.001 0.000 0.302 710 I C -1.524 174.614 176.117 0.034 0.000 1.188 710 I CA -0.513 60.810 61.300 0.039 0.000 1.014 710 I CB 2.033 40.052 38.000 0.031 0.000 1.242 710 I HN 0.603 nan 8.210 nan 0.000 0.430 711 E N 4.434 124.651 120.200 0.027 0.000 2.248 711 E HA 0.575 4.925 4.350 -0.001 0.000 0.267 711 E C -1.031 175.583 176.600 0.023 0.000 0.877 711 E CA -0.992 55.423 56.400 0.025 0.000 0.759 711 E CB 2.129 31.842 29.700 0.023 0.000 1.182 711 E HN 0.634 nan 8.360 nan 0.000 0.418 712 A N 4.120 126.954 122.820 0.024 0.000 2.539 712 A HA 0.184 4.503 4.320 -0.001 0.000 0.306 712 A C 0.165 177.764 177.584 0.025 0.000 1.392 712 A CA -0.113 51.939 52.037 0.026 0.000 1.060 712 A CB -0.065 18.951 19.000 0.026 0.000 1.134 712 A HN 0.489 nan 8.150 nan 0.000 0.542 713 R N 1.527 122.043 120.500 0.026 0.000 2.560 713 R HA 0.158 4.497 4.340 -0.001 0.000 0.270 713 R C -1.142 175.170 176.300 0.020 0.000 1.074 713 R CA -0.438 55.675 56.100 0.020 0.000 1.140 713 R CB 0.600 30.911 30.300 0.019 0.000 1.073 713 R HN 0.625 nan 8.270 nan 0.000 0.527 714 D N 2.257 122.661 120.400 0.008 0.000 2.443 714 D HA 0.101 4.741 4.640 -0.001 0.000 0.221 714 D C -0.359 175.930 176.300 -0.019 0.000 1.097 714 D CA 0.063 54.060 54.000 -0.004 0.000 0.865 714 D CB 1.464 42.259 40.800 -0.007 0.000 1.034 714 D HN 0.515 nan 8.370 nan 0.000 0.511 715 T N -0.776 113.759 114.554 -0.032 0.000 2.907 715 T HA 0.258 4.608 4.350 -0.001 0.000 0.284 715 T C 1.108 175.742 174.700 -0.110 0.000 1.004 715 T CA -0.810 61.258 62.100 -0.054 0.000 1.063 715 T CB 1.990 70.837 68.868 -0.035 0.000 0.992 715 T HN 0.089 nan 8.240 nan 0.000 0.483 716 K N 1.420 121.761 120.400 -0.098 0.000 2.574 716 K HA 0.098 4.417 4.320 -0.001 0.000 0.193 716 K C 1.293 177.776 176.600 -0.196 0.000 1.035 716 K CA 0.462 56.677 56.287 -0.119 0.000 0.982 716 K CB -0.296 32.158 32.500 -0.076 0.000 0.795 716 K HN 0.593 nan 8.250 nan 0.000 0.491 717 L N -0.433 120.629 121.223 -0.268 0.000 2.554 717 L HA 0.125 4.465 4.340 -0.001 0.000 0.225 717 L C 0.657 176.829 176.870 -1.164 0.000 1.104 717 L CA -0.153 54.405 54.840 -0.470 0.000 0.866 717 L CB 0.499 42.410 42.059 -0.247 0.000 1.047 717 L HN 0.197 nan 8.230 nan 0.000 0.468 718 G N -0.251 108.062 108.800 -0.813 0.000 2.326 718 G HA2 0.019 3.979 3.960 -0.001 0.000 0.299 718 G HA3 0.019 3.979 3.960 -0.001 0.000 0.299 718 G C -3.121 171.668 174.900 -0.185 0.000 1.643 718 G CA -1.145 43.468 45.100 -0.812 0.000 0.916 718 G HN -0.325 nan 8.290 nan 0.000 0.700 719 P HA 0.166 nan 4.420 nan 0.000 0.264 719 P C 0.012 177.397 177.300 0.141 0.000 1.183 719 P CA 0.458 63.589 63.100 0.051 0.000 0.763 719 P CB 0.455 32.178 31.700 0.038 0.000 0.807 720 E N 3.624 123.887 120.200 0.104 0.000 2.029 720 E HA 0.071 4.420 4.350 -0.001 0.000 0.276 720 E C 0.168 176.810 176.600 0.069 0.000 1.163 720 E CA -0.095 56.366 56.400 0.101 0.000 0.909 720 E CB 0.226 29.968 29.700 0.069 0.000 1.046 720 E HN 0.249 nan 8.360 nan 0.000 0.406 721 R N 2.265 122.806 120.500 0.068 0.000 2.531 721 R HA 0.353 4.692 4.340 -0.001 0.000 0.273 721 R C 0.289 176.603 176.300 0.024 0.000 1.070 721 R CA -0.449 55.676 56.100 0.042 0.000 1.112 721 R CB 0.931 31.253 30.300 0.038 0.000 1.049 721 R HN 0.533 nan 8.270 nan 0.000 0.508 722 I N 1.667 122.249 120.570 0.019 0.000 2.388 722 I HA 0.214 4.383 4.170 -0.001 0.000 0.281 722 I C -1.012 175.110 176.117 0.008 0.000 1.046 722 I CA 0.215 61.523 61.300 0.013 0.000 1.187 722 I CB 0.961 38.970 38.000 0.016 0.000 1.351 722 I HN 0.530 nan 8.210 nan 0.000 0.472 723 T N 4.620 119.175 114.554 0.002 0.000 2.841 723 T HA 0.296 4.645 4.350 -0.001 0.000 0.296 723 T C 0.805 175.503 174.700 -0.004 0.000 1.166 723 T CA -0.670 61.430 62.100 -0.000 0.000 1.007 723 T CB 2.054 70.921 68.868 -0.002 0.000 1.253 723 T HN 0.741 nan 8.240 nan 0.000 0.511 724 R N 0.716 121.215 120.500 -0.003 0.000 2.293 724 R HA -0.016 4.323 4.340 -0.001 0.000 0.219 724 R C -0.029 176.267 176.300 -0.007 0.000 1.091 724 R CA 0.815 56.913 56.100 -0.004 0.000 1.004 724 R CB -0.058 30.242 30.300 -0.001 0.000 0.865 724 R HN 0.493 nan 8.270 nan 0.000 0.469 725 D N 0.997 121.390 120.400 -0.011 0.000 2.348 725 D HA 0.027 4.666 4.640 -0.001 0.000 0.259 725 D C -0.737 175.547 176.300 -0.027 0.000 1.296 725 D CA 0.229 54.219 54.000 -0.017 0.000 0.931 725 D CB 0.571 41.358 40.800 -0.022 0.000 1.067 725 D HN 0.134 nan 8.370 nan 0.000 0.503 726 I N 5.910 126.467 120.570 -0.021 0.000 2.417 726 I HA 0.142 4.311 4.170 -0.001 0.000 0.283 726 I C -1.406 174.699 176.117 -0.021 0.000 1.121 726 I CA -1.604 59.680 61.300 -0.027 0.000 1.211 726 I CB 1.267 39.257 38.000 -0.016 0.000 1.492 726 I HN 0.130 nan 8.210 nan 0.000 0.522 727 P HA -0.303 nan 4.420 nan 0.000 0.236 727 P C 1.137 178.481 177.300 0.073 0.000 1.128 727 P CA 2.088 65.153 63.100 -0.059 0.000 0.971 727 P CB -0.011 31.561 31.700 -0.212 0.000 0.766 728 H N -4.229 114.823 119.070 -0.030 0.000 2.788 728 H HA 0.313 4.868 4.556 -0.001 0.000 0.262 728 H C 1.778 177.092 175.328 -0.022 0.000 0.968 728 H CA 0.173 56.204 56.048 -0.029 0.000 1.218 728 H CB 0.502 30.243 29.762 -0.035 0.000 1.443 728 H HN 0.048 nan 8.280 nan 0.000 0.478 729 L N -0.894 120.384 121.223 0.091 0.000 2.753 729 L HA 0.165 4.504 4.340 -0.001 0.000 0.238 729 L C -0.022 176.862 176.870 0.023 0.000 1.028 729 L CA 0.055 54.919 54.840 0.040 0.000 0.966 729 L CB 1.195 43.269 42.059 0.026 0.000 1.681 729 L HN 0.053 nan 8.230 nan 0.000 0.511 730 S N -2.097 113.615 115.700 0.020 0.000 2.579 730 S HA 0.304 4.773 4.470 -0.001 0.000 0.272 730 S C 0.085 174.691 174.600 0.009 0.000 1.141 730 S CA -0.486 57.721 58.200 0.012 0.000 0.843 730 S CB 2.030 65.235 63.200 0.008 0.000 1.122 730 S HN 0.033 nan 8.310 nan 0.000 0.468 731 E N 1.408 121.613 120.200 0.008 0.000 2.230 731 E HA 0.267 4.617 4.350 -0.001 0.000 0.192 731 E C 1.974 178.576 176.600 0.004 0.000 0.987 731 E CA 1.451 57.854 56.400 0.006 0.000 0.841 731 E CB -0.571 29.133 29.700 0.006 0.000 0.783 731 E HN 0.788 nan 8.360 nan 0.000 0.481 732 A N 0.552 123.374 122.820 0.004 0.000 2.024 732 A HA -0.042 4.278 4.320 -0.001 0.000 0.220 732 A C 2.216 179.800 177.584 0.001 0.000 1.164 732 A CA 1.779 53.818 52.037 0.003 0.000 0.643 732 A CB -0.584 18.418 19.000 0.003 0.000 0.806 732 A HN 0.296 nan 8.150 nan 0.000 0.451 733 A N -1.855 120.966 122.820 0.000 0.000 2.275 733 A HA 0.457 4.776 4.320 -0.001 0.000 0.212 733 A C 1.199 178.781 177.584 -0.004 0.000 1.201 733 A CA 0.375 52.410 52.037 -0.003 0.000 0.843 733 A CB -0.078 18.919 19.000 -0.004 0.000 0.873 733 A HN 0.327 nan 8.150 nan 0.000 0.492 734 L N -0.633 120.589 121.223 -0.001 0.000 2.857 734 L HA 0.261 4.601 4.340 -0.001 0.000 0.249 734 L C 1.916 178.786 176.870 -0.000 0.000 1.172 734 L CA 0.355 55.194 54.840 -0.001 0.000 0.980 734 L CB -0.172 41.887 42.059 0.000 0.000 1.299 734 L HN 0.279 nan 8.230 nan 0.000 0.535 735 R N -0.266 120.234 120.500 0.000 0.000 2.070 735 R HA -0.096 4.243 4.340 -0.001 0.000 0.227 735 R C 1.372 177.673 176.300 0.002 0.000 1.147 735 R CA 1.604 57.705 56.100 0.001 0.000 0.924 735 R CB -0.489 29.811 30.300 0.002 0.000 0.827 735 R HN 0.188 nan 8.270 nan 0.000 0.431 736 D N 1.125 121.525 120.400 0.001 0.000 2.158 736 D HA -0.154 4.486 4.640 -0.001 0.000 0.197 736 D C 0.908 177.210 176.300 0.002 0.000 0.995 736 D CA 0.897 54.898 54.000 0.002 0.000 0.846 736 D CB -0.171 40.629 40.800 0.000 0.000 0.941 736 D HN 0.077 nan 8.370 nan 0.000 0.456 737 L N 1.340 122.563 121.223 0.000 0.000 2.388 737 L HA -0.031 4.308 4.340 -0.001 0.000 0.252 737 L C 0.752 177.623 176.870 0.002 0.000 1.357 737 L CA -0.073 54.767 54.840 0.001 0.000 1.214 737 L CB 0.088 42.145 42.059 -0.002 0.000 1.392 737 L HN -0.200 nan 8.230 nan 0.000 0.432 738 D N 0.178 120.580 120.400 0.004 0.000 2.202 738 D HA -0.060 4.579 4.640 -0.001 0.000 0.214 738 D C 0.367 176.669 176.300 0.004 0.000 0.967 738 D CA 0.643 54.645 54.000 0.004 0.000 0.871 738 D CB 0.421 41.224 40.800 0.004 0.000 1.020 738 D HN 0.332 nan 8.370 nan 0.000 0.474 739 E N 1.762 121.965 120.200 0.005 0.000 2.417 739 E HA 0.028 4.378 4.350 -0.001 0.000 0.261 739 E C -0.337 176.267 176.600 0.006 0.000 1.000 739 E CA 0.113 56.516 56.400 0.006 0.000 0.919 739 E CB 0.411 30.115 29.700 0.007 0.000 0.955 739 E HN 0.200 nan 8.360 nan 0.000 0.455 740 E N 1.316 121.519 120.200 0.005 0.000 2.918 740 E HA 0.072 4.422 4.350 -0.001 0.000 0.232 740 E C 1.162 177.765 176.600 0.006 0.000 1.073 740 E CA 1.394 57.797 56.400 0.005 0.000 0.949 740 E CB -0.490 29.213 29.700 0.005 0.000 0.937 740 E HN 0.784 nan 8.360 nan 0.000 0.536 741 G N 1.548 110.351 108.800 0.004 0.000 3.400 741 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.209 741 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.209 741 G C 0.339 175.243 174.900 0.007 0.000 1.411 741 G CA -0.214 44.889 45.100 0.005 0.000 0.917 741 G HN 0.503 nan 8.290 nan 0.000 0.570 742 V N 2.014 121.935 119.914 0.011 0.000 2.924 742 V HA 0.532 4.651 4.120 -0.001 0.000 0.305 742 V C 1.256 177.358 176.094 0.013 0.000 1.073 742 V CA 0.177 62.486 62.300 0.015 0.000 1.098 742 V CB 1.656 33.489 31.823 0.017 0.000 1.000 742 V HN 0.815 nan 8.190 nan 0.000 0.484 743 V N 5.431 125.356 119.914 0.018 0.000 2.732 743 V HA 0.399 4.518 4.120 -0.001 0.000 0.297 743 V C 0.630 176.734 176.094 0.018 0.000 1.060 743 V CA -0.594 61.716 62.300 0.015 0.000 1.038 743 V CB 1.343 33.176 31.823 0.017 0.000 1.003 743 V HN 1.018 nan 8.190 nan 0.000 0.481 744 R N 4.926 125.434 120.500 0.014 0.000 2.539 744 R HA 0.419 4.759 4.340 -0.001 0.000 0.275 744 R C -0.746 175.564 176.300 0.016 0.000 1.077 744 R CA -0.588 55.520 56.100 0.013 0.000 1.097 744 R CB 0.580 30.885 30.300 0.009 0.000 1.018 744 R HN 0.547 nan 8.270 nan 0.000 0.483 745 I N 2.224 122.802 120.570 0.014 0.000 2.588 745 I HA 0.160 4.329 4.170 -0.001 0.000 0.283 745 I C 1.356 177.481 176.117 0.013 0.000 1.119 745 I CA 1.377 62.686 61.300 0.015 0.000 1.419 745 I CB 1.191 39.196 38.000 0.008 0.000 1.394 745 I HN 0.999 nan 8.210 nan 0.000 0.562 746 G N 4.108 112.918 108.800 0.016 0.000 2.137 746 G HA2 -0.050 3.910 3.960 -0.001 0.000 0.237 746 G HA3 -0.050 3.910 3.960 -0.001 0.000 0.237 746 G C 0.142 175.050 174.900 0.013 0.000 1.002 746 G CA -0.128 44.980 45.100 0.013 0.000 0.702 746 G HN 1.052 nan 8.290 nan 0.000 0.515 747 A N 0.417 123.247 122.820 0.017 0.000 2.260 747 A HA 0.668 4.987 4.320 -0.001 0.000 0.314 747 A C 0.548 178.142 177.584 0.017 0.000 1.257 747 A CA 0.193 52.239 52.037 0.014 0.000 0.871 747 A CB 0.610 19.618 19.000 0.013 0.000 1.166 747 A HN 0.767 nan 8.150 nan 0.000 0.522 748 E N 2.876 123.084 120.200 0.013 0.000 2.341 748 E HA 0.184 4.534 4.350 -0.001 0.000 0.256 748 E C -0.460 176.146 176.600 0.010 0.000 1.125 748 E CA -0.111 56.297 56.400 0.014 0.000 0.939 748 E CB 0.166 29.872 29.700 0.011 0.000 0.991 748 E HN 0.561 nan 8.360 nan 0.000 0.458 749 V N 2.481 122.402 119.914 0.013 0.000 2.350 749 V HA 0.463 4.583 4.120 -0.001 0.000 0.276 749 V C -0.303 175.786 176.094 -0.009 0.000 1.028 749 V CA -1.023 61.275 62.300 -0.004 0.000 0.860 749 V CB 1.003 32.817 31.823 -0.014 0.000 0.990 749 V HN 0.375 nan 8.190 nan 0.000 0.453 750 K N 5.663 126.054 120.400 -0.015 0.000 2.087 750 K HA 0.611 4.930 4.320 -0.001 0.000 0.255 750 K C -2.736 173.845 176.600 -0.030 0.000 0.988 750 K CA -2.382 53.898 56.287 -0.012 0.000 0.915 750 K CB 0.733 33.231 32.500 -0.004 0.000 1.043 750 K HN 0.470 nan 8.250 nan 0.000 0.457 751 P HA 0.056 nan 4.420 nan 0.000 0.262 751 P C 0.151 177.429 177.300 -0.037 0.000 1.199 751 P CA 0.812 63.890 63.100 -0.037 0.000 0.763 751 P CB 0.419 32.116 31.700 -0.006 0.000 0.790 752 G N 1.753 110.515 108.800 -0.064 0.000 2.176 752 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.232 752 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.232 752 G C 0.016 174.886 174.900 -0.050 0.000 0.986 752 G CA -0.419 44.650 45.100 -0.051 0.000 0.643 752 G HN 0.488 nan 8.290 nan 0.000 0.522 753 D N 0.377 120.741 120.400 -0.060 0.000 2.312 753 D HA 0.465 5.104 4.640 -0.001 0.000 0.248 753 D C 1.031 177.293 176.300 -0.064 0.000 1.086 753 D CA -0.370 53.600 54.000 -0.050 0.000 0.948 753 D CB 0.753 41.528 40.800 -0.042 0.000 1.162 753 D HN 0.102 nan 8.370 nan 0.000 0.446 754 I N 3.192 123.734 120.570 -0.046 0.000 2.396 754 I HA 0.005 4.175 4.170 -0.001 0.000 0.289 754 I C 1.546 177.634 176.117 -0.048 0.000 1.056 754 I CA 0.051 61.322 61.300 -0.048 0.000 1.365 754 I CB 1.064 39.046 38.000 -0.031 0.000 1.407 754 I HN 0.321 nan 8.210 nan 0.000 0.509 755 L N 6.452 127.636 121.223 -0.065 0.000 2.202 755 L HA 0.152 4.491 4.340 -0.001 0.000 0.205 755 L C 0.194 177.057 176.870 -0.013 0.000 1.083 755 L CA 0.912 55.724 54.840 -0.047 0.000 0.790 755 L CB 0.383 42.391 42.059 -0.085 0.000 0.942 755 L HN 0.363 nan 8.230 nan 0.000 0.452 756 V N -0.923 118.981 119.914 -0.016 0.000 2.891 756 V HA 0.495 4.614 4.120 -0.001 0.000 0.304 756 V C -0.089 175.999 176.094 -0.009 0.000 1.171 756 V CA -0.784 61.515 62.300 -0.002 0.000 0.943 756 V CB 1.672 33.504 31.823 0.014 0.000 1.037 756 V HN 0.139 nan 8.190 nan 0.000 0.427 757 G N 2.615 111.411 108.800 -0.007 0.000 2.425 757 G HA2 0.776 4.736 3.960 -0.001 0.000 0.302 757 G HA3 0.776 4.736 3.960 -0.001 0.000 0.302 757 G C -0.710 174.186 174.900 -0.008 0.000 1.159 757 G CA -0.471 44.622 45.100 -0.012 0.000 0.865 757 G HN 0.823 nan 8.290 nan 0.000 0.515 758 R N -0.614 119.878 120.500 -0.014 0.000 2.634 758 R HA 0.554 4.893 4.340 -0.001 0.000 0.263 758 R C -1.492 174.796 176.300 -0.020 0.000 1.060 758 R CA -0.560 55.536 56.100 -0.007 0.000 0.898 758 R CB 1.834 32.135 30.300 0.002 0.000 1.253 758 R HN 0.774 nan 8.270 nan 0.000 0.461 759 T N 0.293 114.837 114.554 -0.015 0.000 2.949 759 T HA 0.486 4.835 4.350 -0.001 0.000 0.300 759 T C -0.280 174.416 174.700 -0.007 0.000 0.988 759 T CA -0.443 61.630 62.100 -0.045 0.000 0.993 759 T CB 1.378 70.195 68.868 -0.085 0.000 0.984 759 T HN 0.633 nan 8.240 nan 0.000 0.442 760 S N 2.764 118.466 115.700 0.002 0.000 2.776 760 S HA 0.867 5.337 4.470 -0.001 0.000 0.306 760 S C -0.695 173.953 174.600 0.080 0.000 1.114 760 S CA -0.900 57.376 58.200 0.127 0.000 0.973 760 S CB 0.531 63.798 63.200 0.113 0.000 1.250 760 S HN 0.508 nan 8.310 nan 0.000 0.549 761 F N 0.996 120.934 119.950 -0.019 0.000 2.397 761 F HA 0.594 5.120 4.527 -0.001 0.000 0.331 761 F C 1.450 177.239 175.800 -0.019 0.000 1.090 761 F CA -1.030 56.958 58.000 -0.019 0.000 1.065 761 F CB 1.337 40.330 39.000 -0.012 0.000 1.184 761 F HN 0.598 nan 8.300 nan 0.000 0.499 762 K N 1.663 122.103 120.400 0.067 0.000 1.973 762 K HA 0.051 4.371 4.320 -0.001 0.000 0.212 762 K C 1.156 177.792 176.600 0.059 0.000 1.047 762 K CA 1.329 57.632 56.287 0.027 0.000 0.937 762 K CB -0.617 31.878 32.500 -0.009 0.000 0.721 762 K HN 0.806 nan 8.250 nan 0.000 0.440 763 G N -0.825 108.023 108.800 0.080 0.000 2.568 763 G HA2 0.098 4.057 3.960 -0.001 0.000 0.293 763 G HA3 0.098 4.057 3.960 -0.001 0.000 0.293 763 G C 0.214 175.151 174.900 0.061 0.000 1.347 763 G CA -0.375 44.761 45.100 0.060 0.000 1.039 763 G HN 0.094 nan 8.290 nan 0.000 0.523 764 E N -0.844 119.380 120.200 0.040 0.000 2.060 764 E HA 0.011 4.360 4.350 -0.001 0.000 0.189 764 E C 1.848 178.461 176.600 0.022 0.000 0.974 764 E CA 1.455 57.872 56.400 0.028 0.000 0.808 764 E CB 0.354 30.064 29.700 0.018 0.000 0.768 764 E HN 0.334 nan 8.360 nan 0.000 0.453 765 S N -0.443 115.271 115.700 0.023 0.000 2.590 765 S HA 0.034 4.503 4.470 -0.001 0.000 0.281 765 S C -0.105 174.511 174.600 0.026 0.000 1.068 765 S CA -0.270 57.939 58.200 0.016 0.000 1.193 765 S CB 0.928 64.131 63.200 0.006 0.000 1.040 765 S HN 0.152 nan 8.310 nan 0.000 0.544 766 E N 1.888 122.107 120.200 0.031 0.000 2.244 766 E HA 0.720 5.069 4.350 -0.001 0.000 0.266 766 E C -2.932 173.692 176.600 0.041 0.000 0.914 766 E CA -1.881 54.538 56.400 0.032 0.000 0.794 766 E CB -0.017 29.696 29.700 0.023 0.000 1.210 766 E HN -0.082 nan 8.360 nan 0.000 0.414 767 P HA 0.293 nan 4.420 nan 0.000 0.312 767 P C -0.724 176.594 177.300 0.030 0.000 1.307 767 P CA -0.604 62.520 63.100 0.040 0.000 0.738 767 P CB 0.413 32.137 31.700 0.039 0.000 1.422 768 T N 0.041 114.611 114.554 0.027 0.000 2.848 768 T HA 0.307 4.657 4.350 -0.001 0.000 0.285 768 T C -2.130 172.582 174.700 0.020 0.000 0.995 768 T CA -0.888 61.226 62.100 0.022 0.000 0.970 768 T CB 1.500 70.381 68.868 0.021 0.000 0.976 768 T HN 0.151 nan 8.240 nan 0.000 0.441 769 P HA -0.051 nan 4.420 nan 0.000 0.219 769 P C 1.334 178.643 177.300 0.015 0.000 1.150 769 P CA 0.787 63.897 63.100 0.016 0.000 0.814 769 P CB 0.363 32.072 31.700 0.014 0.000 0.787 770 E N -0.281 119.927 120.200 0.014 0.000 2.190 770 E HA -0.107 4.243 4.350 -0.001 0.000 0.191 770 E C 1.819 178.425 176.600 0.010 0.000 0.978 770 E CA 0.603 57.009 56.400 0.011 0.000 0.839 770 E CB -0.513 29.192 29.700 0.008 0.000 0.787 770 E HN 0.444 nan 8.360 nan 0.000 0.473 771 E N 1.387 121.594 120.200 0.012 0.000 2.371 771 E HA -0.106 4.243 4.350 -0.001 0.000 0.194 771 E C 2.042 178.653 176.600 0.018 0.000 1.012 771 E CA 0.142 56.550 56.400 0.013 0.000 0.860 771 E CB 0.209 29.920 29.700 0.018 0.000 0.811 771 E HN -0.069 nan 8.360 nan 0.000 0.502 772 R N 0.454 120.966 120.500 0.021 0.000 2.093 772 R HA 0.016 4.355 4.340 -0.001 0.000 0.224 772 R C 2.158 178.475 176.300 0.029 0.000 1.101 772 R CA 0.971 57.086 56.100 0.025 0.000 0.979 772 R CB -0.307 30.007 30.300 0.024 0.000 0.877 772 R HN 0.212 nan 8.270 nan 0.000 0.441 773 L N -0.108 121.131 121.223 0.027 0.000 2.044 773 L HA -0.096 4.243 4.340 -0.001 0.000 0.205 773 L C 2.201 179.099 176.870 0.047 0.000 1.075 773 L CA 0.890 55.751 54.840 0.035 0.000 0.747 773 L CB -0.616 41.461 42.059 0.030 0.000 0.903 773 L HN 0.235 nan 8.230 nan 0.000 0.435 774 L N -0.203 121.036 121.223 0.027 0.000 2.012 774 L HA -0.201 4.138 4.340 -0.001 0.000 0.210 774 L C 2.875 179.760 176.870 0.026 0.000 1.073 774 L CA 1.666 56.510 54.840 0.007 0.000 0.748 774 L CB -0.535 41.493 42.059 -0.052 0.000 0.891 774 L HN 0.099 nan 8.230 nan 0.000 0.431 775 R N -0.327 120.188 120.500 0.025 0.000 2.097 775 R HA -0.133 4.206 4.340 -0.001 0.000 0.236 775 R C 2.324 178.671 176.300 0.078 0.000 1.135 775 R CA 1.774 57.900 56.100 0.043 0.000 0.934 775 R CB -1.405 28.920 30.300 0.042 0.000 0.846 775 R HN 0.445 nan 8.270 nan 0.000 0.431 776 S N 1.115 116.856 115.700 0.069 0.000 2.383 776 S HA -0.089 4.381 4.470 -0.001 0.000 0.229 776 S C 2.109 176.765 174.600 0.095 0.000 1.030 776 S CA 1.091 59.332 58.200 0.068 0.000 1.002 776 S CB -0.270 62.959 63.200 0.049 0.000 0.829 776 S HN 0.234 nan 8.310 nan 0.000 0.467 777 I N 0.030 120.687 120.570 0.146 0.000 2.099 777 I HA -0.197 3.973 4.170 -0.001 0.000 0.239 777 I C 1.802 178.037 176.117 0.197 0.000 1.066 777 I CA 1.548 62.964 61.300 0.192 0.000 1.324 777 I CB -0.338 37.867 38.000 0.343 0.000 1.037 777 I HN 0.229 nan 8.210 nan 0.000 0.401 778 F N 0.137 120.078 119.950 -0.015 0.000 2.530 778 F HA 0.312 4.838 4.527 -0.001 0.000 0.292 778 F C 1.188 176.979 175.800 -0.015 0.000 1.109 778 F CA 0.229 58.218 58.000 -0.019 0.000 1.450 778 F CB 0.120 39.102 39.000 -0.031 0.000 1.114 778 F HN 0.012 nan 8.300 nan 0.000 0.560 779 G N 0.266 109.173 108.800 0.179 0.000 3.163 779 G HA2 0.224 4.183 3.960 -0.001 0.000 0.266 779 G HA3 0.224 4.183 3.960 -0.001 0.000 0.266 779 G C 0.330 175.274 174.900 0.074 0.000 3.692 779 G CA -0.249 44.909 45.100 0.097 0.000 0.490 779 G HN 0.187 nan 8.290 nan 0.000 0.318 780 E N 1.453 121.688 120.200 0.059 0.000 2.086 780 E HA -0.249 4.101 4.350 -0.001 0.000 0.200 780 E C 1.366 177.989 176.600 0.038 0.000 1.012 780 E CA 1.528 57.956 56.400 0.046 0.000 0.812 780 E CB -0.317 29.404 29.700 0.036 0.000 0.743 780 E HN 0.608 nan 8.360 nan 0.000 0.453 781 K N 1.272 121.692 120.400 0.034 0.000 2.034 781 K HA 0.400 4.720 4.320 -0.001 0.000 0.225 781 K C -0.705 175.913 176.600 0.030 0.000 1.190 781 K CA 0.200 56.503 56.287 0.027 0.000 1.152 781 K CB 0.366 32.879 32.500 0.022 0.000 1.300 781 K HN 0.219 nan 8.250 nan 0.000 0.268 782 A N 2.926 125.765 122.820 0.032 0.000 2.342 782 A HA 0.351 4.671 4.320 -0.001 0.000 0.323 782 A C -0.504 177.085 177.584 0.008 0.000 1.125 782 A CA -1.052 51.010 52.037 0.041 0.000 0.785 782 A CB 0.859 19.904 19.000 0.076 0.000 1.221 782 A HN 0.723 nan 8.150 nan 0.000 0.463 783 R N 1.869 122.361 120.500 -0.013 0.000 2.474 783 R HA -0.023 4.317 4.340 -0.001 0.000 0.339 783 R C 0.059 176.282 176.300 -0.129 0.000 1.033 783 R CA 0.010 56.063 56.100 -0.077 0.000 0.997 783 R CB 0.010 30.256 30.300 -0.089 0.000 0.963 783 R HN 0.830 nan 8.270 nan 0.000 0.438 784 D N 1.918 122.234 120.400 -0.140 0.000 2.389 784 D HA -0.111 4.529 4.640 -0.001 0.000 0.221 784 D C 0.256 176.390 176.300 -0.276 0.000 0.974 784 D CA 0.645 54.550 54.000 -0.159 0.000 0.923 784 D CB 0.355 41.082 40.800 -0.121 0.000 0.892 784 D HN 0.188 nan 8.370 nan 0.000 0.518 785 V N 0.938 120.635 119.914 -0.362 0.000 2.811 785 V HA -0.004 4.115 4.120 -0.001 0.000 0.302 785 V C 0.354 176.274 176.094 -0.291 0.000 1.063 785 V CA 0.041 62.083 62.300 -0.429 0.000 1.088 785 V CB 1.462 33.042 31.823 -0.405 0.000 0.982 785 V HN -0.084 nan 8.190 nan 0.000 0.485 786 K N 4.095 124.360 120.400 -0.226 0.000 2.123 786 K HA 0.266 4.585 4.320 -0.001 0.000 0.259 786 K C -0.222 176.294 176.600 -0.139 0.000 0.960 786 K CA -0.684 55.501 56.287 -0.170 0.000 0.872 786 K CB 0.940 33.384 32.500 -0.095 0.000 1.079 786 K HN 0.821 nan 8.250 nan 0.000 0.440 787 D N 2.765 123.083 120.400 -0.137 0.000 2.336 787 D HA 0.019 4.658 4.640 -0.001 0.000 0.249 787 D C -1.011 175.255 176.300 -0.058 0.000 1.213 787 D CA 0.047 53.991 54.000 -0.094 0.000 0.870 787 D CB 0.661 41.410 40.800 -0.085 0.000 1.076 787 D HN 0.599 nan 8.370 nan 0.000 0.483 788 T N 0.536 115.064 114.554 -0.044 0.000 3.401 788 T HA 0.372 4.721 4.350 -0.001 0.000 0.341 788 T C -0.336 174.350 174.700 -0.024 0.000 1.674 788 T CA -0.789 61.295 62.100 -0.027 0.000 1.600 788 T CB 0.323 69.184 68.868 -0.012 0.000 0.974 788 T HN 0.060 nan 8.240 nan 0.000 0.672 789 S N 2.437 118.119 115.700 -0.030 0.000 2.472 789 S HA 0.556 5.025 4.470 -0.001 0.000 0.303 789 S C -0.039 174.540 174.600 -0.036 0.000 1.099 789 S CA -0.873 57.309 58.200 -0.029 0.000 1.077 789 S CB 1.159 64.340 63.200 -0.032 0.000 1.031 789 S HN 0.811 nan 8.310 nan 0.000 0.487 790 L N 5.210 126.414 121.223 -0.032 0.000 2.654 790 L HA 0.184 4.523 4.340 -0.001 0.000 0.271 790 L C 0.143 176.965 176.870 -0.080 0.000 1.169 790 L CA 1.001 55.813 54.840 -0.046 0.000 0.947 790 L CB -0.337 41.707 42.059 -0.025 0.000 1.232 790 L HN 0.566 nan 8.230 nan 0.000 0.486 791 R N 3.177 123.615 120.500 -0.104 0.000 2.782 791 R HA 0.595 4.935 4.340 -0.001 0.000 0.258 791 R C -0.912 175.263 176.300 -0.209 0.000 1.055 791 R CA -1.261 54.762 56.100 -0.128 0.000 1.065 791 R CB 1.414 31.655 30.300 -0.098 0.000 1.172 791 R HN 0.441 nan 8.270 nan 0.000 0.510 792 V N 3.557 123.339 119.914 -0.219 0.000 2.421 792 V HA 0.099 4.218 4.120 -0.001 0.000 0.271 792 V C -2.034 173.932 176.094 -0.214 0.000 1.031 792 V CA -1.265 60.857 62.300 -0.297 0.000 1.032 792 V CB 0.295 31.989 31.823 -0.215 0.000 1.009 792 V HN 0.558 nan 8.190 nan 0.000 0.477 793 P HA 0.184 nan 4.420 nan 0.000 0.268 793 P C -2.441 174.775 177.300 -0.140 0.000 1.205 793 P CA -0.952 62.048 63.100 -0.166 0.000 0.771 793 P CB -0.037 31.595 31.700 -0.113 0.000 0.858 794 P HA 0.085 nan 4.420 nan 0.000 0.266 794 P C 0.816 178.104 177.300 -0.020 0.000 1.186 794 P CA 1.459 64.506 63.100 -0.089 0.000 0.767 794 P CB 0.174 31.768 31.700 -0.177 0.000 0.820 795 G N 1.562 110.393 108.800 0.052 0.000 2.433 795 G HA2 -0.079 3.880 3.960 -0.001 0.000 0.211 795 G HA3 -0.079 3.880 3.960 -0.001 0.000 0.211 795 G C -0.990 173.930 174.900 0.033 0.000 1.214 795 G CA -0.362 44.762 45.100 0.041 0.000 1.271 795 G HN 0.538 nan 8.290 nan 0.000 0.503 796 E N -0.692 119.531 120.200 0.039 0.000 2.407 796 E HA 0.541 4.891 4.350 -0.001 0.000 0.279 796 E C -0.415 176.240 176.600 0.093 0.000 1.012 796 E CA -0.295 56.134 56.400 0.048 0.000 0.800 796 E CB 2.088 31.815 29.700 0.045 0.000 1.276 796 E HN 1.001 nan 8.360 nan 0.000 0.452 797 G N -0.552 108.292 108.800 0.074 0.000 2.730 797 G HA2 0.746 4.706 3.960 -0.001 0.000 0.289 797 G HA3 0.746 4.706 3.960 -0.001 0.000 0.289 797 G C -0.465 174.489 174.900 0.090 0.000 1.341 797 G CA 0.063 45.232 45.100 0.116 0.000 0.932 797 G HN 0.524 nan 8.290 nan 0.000 0.481 798 G N -1.243 107.618 108.800 0.103 0.000 3.382 798 G HA2 0.495 4.454 3.960 -0.001 0.000 0.183 798 G HA3 0.495 4.454 3.960 -0.001 0.000 0.183 798 G C -0.739 174.194 174.900 0.056 0.000 1.246 798 G CA -0.461 44.679 45.100 0.067 0.000 0.828 798 G HN 0.582 nan 8.290 nan 0.000 0.728 799 I N 1.623 122.223 120.570 0.049 0.000 2.437 799 I HA 0.435 4.605 4.170 -0.001 0.000 0.298 799 I C 0.039 176.191 176.117 0.059 0.000 0.984 799 I CA -1.060 60.265 61.300 0.040 0.000 1.214 799 I CB 1.268 39.280 38.000 0.020 0.000 1.365 799 I HN -0.042 nan 8.210 nan 0.000 0.469 800 V N 6.344 126.293 119.914 0.059 0.000 2.455 800 V HA 0.090 4.210 4.120 -0.001 0.000 0.273 800 V C 1.180 177.307 176.094 0.055 0.000 1.045 800 V CA -0.130 62.216 62.300 0.078 0.000 0.976 800 V CB 1.308 33.175 31.823 0.073 0.000 0.993 800 V HN 0.733 nan 8.190 nan 0.000 0.475 801 V N 2.465 122.417 119.914 0.063 0.000 3.212 801 V HA 0.415 4.534 4.120 -0.001 0.000 0.244 801 V C 0.741 176.838 176.094 0.005 0.000 1.151 801 V CA 0.343 62.660 62.300 0.029 0.000 1.119 801 V CB -0.037 31.797 31.823 0.019 0.000 0.838 801 V HN 0.753 nan 8.190 nan 0.000 0.470 802 R N 0.724 121.233 120.500 0.015 0.000 2.740 802 R HA 0.619 4.959 4.340 -0.001 0.000 0.273 802 R C -1.353 174.934 176.300 -0.021 0.000 0.998 802 R CA 0.407 56.460 56.100 -0.078 0.000 0.900 802 R CB 2.351 32.485 30.300 -0.277 0.000 1.223 802 R HN 0.483 nan 8.270 nan 0.000 0.466 803 T N -0.502 114.021 114.554 -0.051 0.000 2.933 803 T HA 0.605 4.954 4.350 -0.001 0.000 0.305 803 T C -1.216 173.472 174.700 -0.020 0.000 1.092 803 T CA -0.624 61.486 62.100 0.017 0.000 1.008 803 T CB 1.817 70.704 68.868 0.032 0.000 1.102 803 T HN 0.222 nan 8.240 nan 0.000 0.469 804 V N 3.031 122.962 119.914 0.028 0.000 2.638 804 V HA 0.771 4.891 4.120 -0.001 0.000 0.306 804 V C -0.351 175.762 176.094 0.031 0.000 1.052 804 V CA -0.879 61.428 62.300 0.011 0.000 0.885 804 V CB 1.855 33.689 31.823 0.019 0.000 0.999 804 V HN 0.974 nan 8.190 nan 0.000 0.424 805 R N 4.436 124.945 120.500 0.015 0.000 2.514 805 R HA 0.578 4.917 4.340 -0.001 0.000 0.296 805 R C -1.820 174.487 176.300 0.011 0.000 1.012 805 R CA -0.580 55.531 56.100 0.018 0.000 0.897 805 R CB 1.834 32.144 30.300 0.017 0.000 1.184 805 R HN 0.745 nan 8.270 nan 0.000 0.440 806 L N 5.787 127.018 121.223 0.012 0.000 2.277 806 L HA 0.531 4.870 4.340 -0.001 0.000 0.284 806 L C 0.760 177.636 176.870 0.009 0.000 1.028 806 L CA -0.691 54.153 54.840 0.007 0.000 0.835 806 L CB 1.206 43.267 42.059 0.003 0.000 1.215 806 L HN 0.413 nan 8.230 nan 0.000 0.425 807 R N 1.468 121.973 120.500 0.009 0.000 2.523 807 R HA 0.436 4.775 4.340 -0.001 0.000 0.223 807 R C 1.136 177.442 176.300 0.010 0.000 1.280 807 R CA -0.779 55.327 56.100 0.011 0.000 1.047 807 R CB 0.572 30.879 30.300 0.011 0.000 1.650 807 R HN 0.426 nan 8.270 nan 0.000 0.545 808 R N 0.336 120.842 120.500 0.012 0.000 2.132 808 R HA -0.123 4.216 4.340 -0.001 0.000 0.233 808 R C 1.229 177.536 176.300 0.012 0.000 1.125 808 R CA 1.830 57.937 56.100 0.012 0.000 0.914 808 R CB -0.972 29.336 30.300 0.013 0.000 0.845 808 R HN 0.699 nan 8.270 nan 0.000 0.431 809 G N 2.599 111.406 108.800 0.012 0.000 3.008 809 G HA2 0.002 3.962 3.960 -0.001 0.000 0.272 809 G HA3 0.002 3.962 3.960 -0.001 0.000 0.272 809 G C -0.761 174.147 174.900 0.014 0.000 0.764 809 G CA -0.351 44.758 45.100 0.014 0.000 2.029 809 G HN 0.245 nan 8.290 nan 0.000 0.587 810 D N 2.557 122.964 120.400 0.012 0.000 2.520 810 D HA 0.004 4.644 4.640 -0.001 0.000 0.243 810 D C -0.880 175.427 176.300 0.012 0.000 1.160 810 D CA -0.521 53.483 54.000 0.006 0.000 0.877 810 D CB 1.717 42.518 40.800 0.002 0.000 1.150 810 D HN 0.199 nan 8.370 nan 0.000 0.494 811 P HA -0.030 nan 4.420 nan 0.000 0.213 811 P C 0.841 178.165 177.300 0.040 0.000 1.170 811 P CA 0.940 64.053 63.100 0.022 0.000 0.898 811 P CB 0.387 32.094 31.700 0.012 0.000 0.787 812 G N -1.722 107.073 108.800 -0.009 0.000 5.648 812 G HA2 0.273 4.232 3.960 -0.001 0.000 0.192 812 G HA3 0.273 4.232 3.960 -0.001 0.000 0.192 812 G C -0.995 173.750 174.900 -0.258 0.000 0.694 812 G CA -0.136 44.942 45.100 -0.037 0.000 0.654 812 G HN 0.317 nan 8.290 nan 0.000 0.324 813 V N 0.727 120.555 119.914 -0.143 0.000 2.834 813 V HA 0.699 4.819 4.120 -0.001 0.000 0.313 813 V C -0.685 175.357 176.094 -0.086 0.000 1.060 813 V CA -0.912 61.299 62.300 -0.148 0.000 0.989 813 V CB 1.778 33.550 31.823 -0.086 0.000 1.041 813 V HN 0.407 nan 8.190 nan 0.000 0.459 814 E N 5.255 125.409 120.200 -0.077 0.000 2.070 814 E HA 0.357 4.707 4.350 -0.001 0.000 0.261 814 E C -1.162 175.430 176.600 -0.014 0.000 0.926 814 E CA -0.654 55.729 56.400 -0.030 0.000 0.760 814 E CB 1.527 31.217 29.700 -0.018 0.000 1.133 814 E HN 0.375 nan 8.360 nan 0.000 0.420 815 L N 3.351 124.572 121.223 -0.005 0.000 2.319 815 L HA 0.168 4.508 4.340 -0.001 0.000 0.280 815 L C 0.217 177.092 176.870 0.008 0.000 1.099 815 L CA 0.076 54.918 54.840 0.003 0.000 0.828 815 L CB 0.536 42.598 42.059 0.004 0.000 1.150 815 L HN 0.338 nan 8.230 nan 0.000 0.442 816 K N 4.874 125.280 120.400 0.010 0.000 2.187 816 K HA 0.228 4.548 4.320 -0.001 0.000 0.247 816 K C -2.238 174.368 176.600 0.011 0.000 1.019 816 K CA -1.376 54.918 56.287 0.012 0.000 0.893 816 K CB -0.292 32.215 32.500 0.013 0.000 1.025 816 K HN 0.391 nan 8.250 nan 0.000 0.500 817 P HA 0.023 nan 4.420 nan 0.000 0.271 817 P C 0.596 177.900 177.300 0.006 0.000 1.218 817 P CA 0.359 63.464 63.100 0.008 0.000 0.780 817 P CB 0.841 32.545 31.700 0.007 0.000 0.901 818 G N 1.002 109.805 108.800 0.004 0.000 2.458 818 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.237 818 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.237 818 G C 0.160 175.064 174.900 0.006 0.000 1.113 818 G CA 0.108 45.209 45.100 0.003 0.000 0.655 818 G HN 0.556 nan 8.290 nan 0.000 0.513 819 V N 3.157 123.077 119.914 0.009 0.000 2.416 819 V HA 0.144 4.263 4.120 -0.001 0.000 0.267 819 V C 1.915 178.016 176.094 0.012 0.000 1.007 819 V CA 1.337 63.644 62.300 0.012 0.000 1.102 819 V CB 0.706 32.537 31.823 0.013 0.000 1.035 819 V HN 0.531 nan 8.190 nan 0.000 0.473 820 R N 3.545 124.053 120.500 0.013 0.000 2.062 820 R HA -0.049 4.290 4.340 -0.001 0.000 0.231 820 R C 0.656 176.965 176.300 0.015 0.000 1.136 820 R CA 1.630 57.738 56.100 0.014 0.000 0.948 820 R CB 0.392 30.702 30.300 0.017 0.000 0.845 820 R HN 0.937 nan 8.270 nan 0.000 0.430 821 E N -1.072 119.138 120.200 0.017 0.000 2.407 821 E HA 0.339 4.688 4.350 -0.001 0.000 0.279 821 E C -1.187 175.425 176.600 0.020 0.000 1.012 821 E CA -0.978 55.432 56.400 0.017 0.000 0.800 821 E CB 1.807 31.517 29.700 0.018 0.000 1.276 821 E HN -0.001 nan 8.360 nan 0.000 0.452 822 V N -1.225 118.702 119.914 0.022 0.000 3.019 822 V HA 0.873 4.992 4.120 -0.001 0.000 0.317 822 V C -0.892 175.223 176.094 0.035 0.000 1.094 822 V CA -0.678 61.639 62.300 0.028 0.000 1.000 822 V CB 1.800 33.640 31.823 0.028 0.000 1.060 822 V HN 0.574 nan 8.190 nan 0.000 0.443 823 V N 3.158 123.099 119.914 0.045 0.000 2.559 823 V HA 0.517 4.637 4.120 -0.001 0.000 0.289 823 V C -0.118 176.025 176.094 0.082 0.000 1.036 823 V CA -0.447 61.887 62.300 0.056 0.000 0.887 823 V CB 1.372 33.223 31.823 0.047 0.000 1.022 823 V HN 1.003 nan 8.190 nan 0.000 0.442 824 R N 2.640 123.207 120.500 0.112 0.000 2.368 824 R HA 0.812 5.152 4.340 -0.001 0.000 0.302 824 R C -1.226 175.209 176.300 0.225 0.000 1.002 824 R CA -0.427 55.776 56.100 0.171 0.000 0.929 824 R CB 1.946 32.408 30.300 0.271 0.000 1.073 824 R HN 0.504 nan 8.270 nan 0.000 0.464 825 V N 5.038 125.093 119.914 0.235 0.000 2.419 825 V HA 0.237 4.356 4.120 -0.001 0.000 0.287 825 V C -1.243 175.025 176.094 0.289 0.000 1.017 825 V CA -0.877 61.586 62.300 0.270 0.000 0.844 825 V CB 1.104 33.061 31.823 0.223 0.000 1.011 825 V HN 0.634 nan 8.190 nan 0.000 0.429 826 Y N 3.533 123.859 120.300 0.043 0.000 2.365 826 Y HA 0.533 5.083 4.550 -0.001 0.000 0.340 826 Y C 0.291 176.213 175.900 0.036 0.000 1.016 826 Y CA -0.614 57.484 58.100 -0.002 0.000 1.196 826 Y CB 1.521 39.963 38.460 -0.029 0.000 1.167 826 Y HN 0.365 nan 8.280 nan 0.000 0.509 827 V N 3.642 123.629 119.914 0.122 0.000 2.495 827 V HA 0.849 4.969 4.120 -0.001 0.000 0.298 827 V C -0.192 175.952 176.094 0.083 0.000 1.031 827 V CA -0.889 61.508 62.300 0.161 0.000 0.871 827 V CB 1.508 33.553 31.823 0.371 0.000 0.988 827 V HN 0.855 nan 8.190 nan 0.000 0.432 828 A N 4.981 127.844 122.820 0.072 0.000 2.380 828 A HA 0.968 5.287 4.320 -0.001 0.000 0.315 828 A C -0.842 176.766 177.584 0.040 0.000 1.101 828 A CA -0.647 51.412 52.037 0.037 0.000 0.771 828 A CB 1.824 20.817 19.000 -0.012 0.000 1.287 828 A HN 0.888 nan 8.150 nan 0.000 0.436 829 Q N 1.020 120.847 119.800 0.044 0.000 2.352 829 Q HA 0.446 4.785 4.340 -0.001 0.000 0.270 829 Q C -1.493 174.532 176.000 0.042 0.000 1.006 829 Q CA -0.830 54.999 55.803 0.043 0.000 0.880 829 Q CB 1.614 30.389 28.738 0.061 0.000 1.392 829 Q HN 0.558 nan 8.270 nan 0.000 0.401 830 K N 2.232 122.647 120.400 0.024 0.000 2.322 830 K HA 0.276 4.596 4.320 -0.001 0.000 0.283 830 K C -0.660 175.961 176.600 0.034 0.000 1.042 830 K CA -0.191 56.111 56.287 0.026 0.000 0.958 830 K CB 0.728 33.236 32.500 0.014 0.000 0.984 830 K HN 0.512 nan 8.250 nan 0.000 0.473 831 R N 3.837 124.361 120.500 0.039 0.000 2.310 831 R HA 0.222 4.562 4.340 -0.001 0.000 0.324 831 R C -0.548 175.771 176.300 0.032 0.000 0.955 831 R CA -0.732 55.385 56.100 0.030 0.000 0.830 831 R CB 1.421 31.728 30.300 0.011 0.000 1.154 831 R HN 0.359 nan 8.270 nan 0.000 0.458 832 K N 2.806 123.225 120.400 0.032 0.000 2.143 832 K HA 0.192 4.511 4.320 -0.001 0.000 0.272 832 K C -0.048 176.572 176.600 0.034 0.000 1.001 832 K CA -1.052 55.260 56.287 0.042 0.000 0.915 832 K CB 1.457 33.979 32.500 0.037 0.000 1.047 832 K HN 0.215 nan 8.250 nan 0.000 0.458 833 L N 3.918 125.173 121.223 0.053 0.000 2.660 833 L HA -0.139 4.201 4.340 -0.001 0.000 0.272 833 L C 0.178 177.045 176.870 -0.006 0.000 1.194 833 L CA 1.145 55.999 54.840 0.022 0.000 0.945 833 L CB -0.274 41.810 42.059 0.042 0.000 1.212 833 L HN 0.608 nan 8.230 nan 0.000 0.490 834 Q N 2.499 122.293 119.800 -0.010 0.000 2.572 834 Q HA 0.374 4.713 4.340 -0.001 0.000 0.284 834 Q C 0.608 176.605 176.000 -0.004 0.000 1.091 834 Q CA -0.895 54.907 55.803 -0.001 0.000 0.840 834 Q CB 1.125 29.876 28.738 0.023 0.000 1.433 834 Q HN 0.227 nan 8.270 nan 0.000 0.471 835 V N 1.045 120.957 119.914 -0.003 0.000 2.392 835 V HA -0.178 3.941 4.120 -0.001 0.000 0.249 835 V C 1.699 177.807 176.094 0.024 0.000 1.059 835 V CA 2.795 65.094 62.300 -0.003 0.000 1.051 835 V CB -0.880 30.940 31.823 -0.006 0.000 0.658 835 V HN 0.945 nan 8.190 nan 0.000 0.455 836 G N -0.853 107.978 108.800 0.051 0.000 2.402 836 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.216 836 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.216 836 G C 0.469 175.463 174.900 0.156 0.000 1.162 836 G CA 0.549 45.694 45.100 0.076 0.000 0.777 836 G HN 0.575 nan 8.290 nan 0.000 0.539 837 D N 0.386 120.908 120.400 0.203 0.000 2.443 837 D HA 0.347 4.986 4.640 -0.001 0.000 0.234 837 D C 0.590 176.924 176.300 0.056 0.000 1.172 837 D CA 0.631 54.690 54.000 0.098 0.000 0.878 837 D CB 0.623 41.321 40.800 -0.169 0.000 1.204 837 D HN 0.530 nan 8.370 nan 0.000 0.453 838 K N 0.742 121.164 120.400 0.037 0.000 2.324 838 K HA 0.692 5.012 4.320 -0.001 0.000 0.253 838 K C -1.292 175.303 176.600 -0.008 0.000 0.932 838 K CA -0.888 55.411 56.287 0.020 0.000 0.799 838 K CB 1.243 33.774 32.500 0.052 0.000 1.154 838 K HN 0.327 nan 8.250 nan 0.000 0.425 839 L N 0.862 122.069 121.223 -0.027 0.000 2.333 839 L HA 0.957 5.296 4.340 -0.001 0.000 0.263 839 L C -0.789 176.061 176.870 -0.033 0.000 1.014 839 L CA -1.238 53.584 54.840 -0.029 0.000 0.820 839 L CB 2.227 44.239 42.059 -0.079 0.000 1.352 839 L HN 0.927 nan 8.230 nan 0.000 0.421 840 A N 0.762 123.558 122.820 -0.040 0.000 2.589 840 A HA 0.535 4.855 4.320 -0.001 0.000 0.296 840 A C -1.392 176.151 177.584 -0.068 0.000 1.062 840 A CA -0.868 51.147 52.037 -0.036 0.000 0.686 840 A CB 1.310 20.307 19.000 -0.005 0.000 1.282 840 A HN 0.858 nan 8.150 nan 0.000 0.404 841 N N 0.904 119.581 118.700 -0.039 0.000 2.434 841 N HA 0.293 5.033 4.740 -0.001 0.000 0.266 841 N C 0.372 175.889 175.510 0.011 0.000 1.223 841 N CA -0.781 52.248 53.050 -0.036 0.000 0.972 841 N CB 1.166 39.685 38.487 0.055 0.000 1.207 841 N HN 0.665 nan 8.380 nan 0.000 0.525 842 R N -0.544 119.971 120.500 0.024 0.000 2.249 842 R HA -0.106 4.233 4.340 -0.001 0.000 0.230 842 R C 1.485 177.714 176.300 -0.118 0.000 1.121 842 R CA 1.125 57.206 56.100 -0.031 0.000 0.997 842 R CB -0.291 29.989 30.300 -0.033 0.000 0.867 842 R HN 0.598 nan 8.270 nan 0.000 0.465 843 H N -1.908 117.202 119.070 0.068 0.000 2.372 843 H HA 0.073 4.628 4.556 -0.001 0.000 0.301 843 H C 1.658 177.003 175.328 0.027 0.000 1.065 843 H CA 1.730 57.808 56.048 0.050 0.000 1.364 843 H CB 0.579 30.377 29.762 0.060 0.000 1.406 843 H HN 0.470 nan 8.280 nan 0.000 0.521 844 G N -0.282 108.598 108.800 0.133 0.000 3.743 844 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.220 844 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.220 844 G C 0.059 174.989 174.900 0.050 0.000 0.914 844 G CA -0.413 44.732 45.100 0.074 0.000 0.851 844 G HN 0.173 nan 8.290 nan 0.000 0.573 845 N N 1.465 120.199 118.700 0.056 0.000 2.427 845 N HA 0.233 4.973 4.740 -0.001 0.000 0.269 845 N C -0.230 175.288 175.510 0.013 0.000 1.235 845 N CA 0.548 53.613 53.050 0.025 0.000 0.934 845 N CB 0.738 39.236 38.487 0.019 0.000 1.121 845 N HN 0.479 nan 8.380 nan 0.000 0.480 846 K N 1.844 122.248 120.400 0.008 0.000 2.208 846 K HA 0.741 5.060 4.320 -0.001 0.000 0.247 846 K C -0.461 176.139 176.600 0.000 0.000 0.953 846 K CA -0.740 55.551 56.287 0.006 0.000 0.837 846 K CB 1.323 33.831 32.500 0.015 0.000 1.131 846 K HN 0.581 nan 8.250 nan 0.000 0.431 847 G N 0.568 109.368 108.800 0.001 0.000 2.338 847 G HA2 0.324 4.283 3.960 -0.001 0.000 0.295 847 G HA3 0.324 4.283 3.960 -0.001 0.000 0.295 847 G C -1.919 172.983 174.900 0.004 0.000 1.461 847 G CA -0.737 44.365 45.100 0.004 0.000 0.817 847 G HN 0.437 nan 8.290 nan 0.000 0.556 848 V N -0.165 119.758 119.914 0.016 0.000 2.732 848 V HA 0.584 4.704 4.120 -0.001 0.000 0.310 848 V C 0.449 176.546 176.094 0.006 0.000 1.053 848 V CA -0.845 61.465 62.300 0.016 0.000 0.957 848 V CB 1.923 33.767 31.823 0.035 0.000 1.018 848 V HN 0.681 nan 8.190 nan 0.000 0.452 849 V N 3.422 123.328 119.914 -0.014 0.000 2.439 849 V HA 0.239 4.358 4.120 -0.001 0.000 0.271 849 V C 1.094 177.186 176.094 -0.003 0.000 1.040 849 V CA 0.922 63.202 62.300 -0.033 0.000 1.002 849 V CB 0.755 32.535 31.823 -0.071 0.000 1.000 849 V HN 1.101 nan 8.190 nan 0.000 0.477 850 A N 5.541 128.373 122.820 0.019 0.000 2.044 850 A HA 0.286 4.605 4.320 -0.001 0.000 0.213 850 A C 0.940 178.532 177.584 0.013 0.000 1.169 850 A CA 0.504 52.578 52.037 0.062 0.000 0.724 850 A CB 0.209 19.302 19.000 0.154 0.000 0.840 850 A HN 0.659 nan 8.150 nan 0.000 0.463 851 K N -0.503 119.857 120.400 -0.066 0.000 2.557 851 K HA 0.532 4.852 4.320 -0.001 0.000 0.257 851 K C -1.890 174.599 176.600 -0.186 0.000 0.933 851 K CA -0.434 55.747 56.287 -0.176 0.000 0.820 851 K CB 1.181 33.427 32.500 -0.423 0.000 1.330 851 K HN 0.127 nan 8.250 nan 0.000 0.432 852 I N 5.207 125.681 120.570 -0.161 0.000 2.282 852 I HA 0.226 4.395 4.170 -0.001 0.000 0.290 852 I C -0.525 175.501 176.117 -0.151 0.000 1.090 852 I CA -0.883 60.332 61.300 -0.142 0.000 1.231 852 I CB 0.332 38.274 38.000 -0.095 0.000 1.434 852 I HN 0.300 nan 8.210 nan 0.000 0.487 853 L N 8.616 129.729 121.223 -0.182 0.000 2.417 853 L HA 0.374 4.713 4.340 -0.001 0.000 0.268 853 L C -2.094 174.718 176.870 -0.096 0.000 1.158 853 L CA -1.437 53.307 54.840 -0.160 0.000 0.819 853 L CB -0.216 41.714 42.059 -0.214 0.000 1.112 853 L HN 0.296 nan 8.230 nan 0.000 0.458 854 P HA 0.050 nan 4.420 nan 0.000 0.280 854 P C 0.821 178.107 177.300 -0.023 0.000 1.244 854 P CA -0.305 62.774 63.100 -0.034 0.000 0.784 854 P CB 0.932 32.620 31.700 -0.019 0.000 0.913 855 V N 3.363 123.266 119.914 -0.018 0.000 2.660 855 V HA -0.306 3.814 4.120 -0.001 0.000 0.257 855 V C 1.667 177.758 176.094 -0.006 0.000 1.088 855 V CA 2.039 64.334 62.300 -0.009 0.000 1.106 855 V CB -1.039 30.784 31.823 -0.000 0.000 0.686 855 V HN 0.559 nan 8.190 nan 0.000 0.481 856 E N 1.012 121.208 120.200 -0.007 0.000 2.048 856 E HA -0.255 4.094 4.350 -0.001 0.000 0.202 856 E C 1.359 177.961 176.600 0.004 0.000 1.021 856 E CA 1.757 58.152 56.400 -0.009 0.000 0.825 856 E CB -0.253 29.447 29.700 -0.000 0.000 0.756 856 E HN 0.915 nan 8.360 nan 0.000 0.454 857 D N -0.309 120.116 120.400 0.042 0.000 2.571 857 D HA 0.067 4.707 4.640 -0.001 0.000 0.239 857 D C 0.330 176.736 176.300 0.177 0.000 1.267 857 D CA -0.281 53.778 54.000 0.098 0.000 0.823 857 D CB -0.385 40.480 40.800 0.109 0.000 1.056 857 D HN 0.199 nan 8.370 nan 0.000 0.494 858 M N -0.928 118.747 119.600 0.126 0.000 2.283 858 M HA 0.607 5.086 4.480 -0.001 0.000 0.314 858 M C -2.441 173.995 176.300 0.227 0.000 1.153 858 M CA -1.655 53.736 55.300 0.153 0.000 1.084 858 M CB 0.687 33.269 32.600 -0.030 0.000 1.468 858 M HN -0.417 nan 8.290 nan 0.000 0.474 859 P HA -0.118 nan 4.420 nan 0.000 0.257 859 P C -1.413 176.030 177.300 0.238 0.000 1.153 859 P CA 0.913 64.172 63.100 0.266 0.000 0.762 859 P CB -0.211 31.629 31.700 0.232 0.000 0.743 860 H N 3.273 122.426 119.070 0.138 0.000 2.679 860 H HA 0.494 5.050 4.556 -0.001 0.000 0.367 860 H C -0.805 174.593 175.328 0.117 0.000 1.162 860 H CA -1.301 54.800 56.048 0.088 0.000 1.181 860 H CB 0.957 30.742 29.762 0.038 0.000 1.693 860 H HN 0.267 nan 8.280 nan 0.000 0.538 861 L N 2.474 123.736 121.223 0.065 0.000 2.468 861 L HA 0.230 4.569 4.340 -0.001 0.000 0.254 861 L C -1.476 175.386 176.870 -0.013 0.000 1.171 861 L CA -1.871 53.017 54.840 0.080 0.000 0.809 861 L CB 0.965 43.117 42.059 0.156 0.000 1.155 861 L HN 0.372 nan 8.230 nan 0.000 0.473 862 P HA -0.188 nan 4.420 nan 0.000 0.216 862 P C -0.713 176.591 177.300 0.007 0.000 1.157 862 P CA 1.360 64.479 63.100 0.033 0.000 0.880 862 P CB -0.054 31.830 31.700 0.306 0.000 0.791 863 D N -1.781 118.727 120.400 0.180 0.000 2.341 863 D HA 0.150 4.789 4.640 -0.001 0.000 0.245 863 D C 1.607 177.995 176.300 0.146 0.000 1.106 863 D CA -0.042 54.056 54.000 0.163 0.000 0.905 863 D CB 0.384 41.340 40.800 0.259 0.000 1.202 863 D HN -0.035 nan 8.370 nan 0.000 0.426 864 G N 2.272 111.138 108.800 0.109 0.000 2.591 864 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.218 864 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.218 864 G C 0.905 175.876 174.900 0.118 0.000 1.113 864 G CA 1.053 46.212 45.100 0.099 0.000 0.740 864 G HN 0.592 nan 8.290 nan 0.000 0.569 865 T N 2.859 117.496 114.554 0.138 0.000 2.765 865 T HA 0.351 4.700 4.350 -0.001 0.000 0.284 865 T C -1.997 172.769 174.700 0.109 0.000 0.946 865 T CA -1.353 60.819 62.100 0.119 0.000 1.185 865 T CB 1.004 69.951 68.868 0.133 0.000 0.887 865 T HN 0.074 nan 8.240 nan 0.000 0.532 866 P HA 0.346 nan 4.420 nan 0.000 0.284 866 P C -0.027 177.290 177.300 0.028 0.000 1.258 866 P CA -0.658 62.495 63.100 0.089 0.000 0.824 866 P CB 1.057 32.801 31.700 0.073 0.000 1.038 867 V N -0.083 119.842 119.914 0.017 0.000 3.133 867 V HA 0.178 4.297 4.120 -0.001 0.000 0.305 867 V C 0.617 176.675 176.094 -0.060 0.000 1.084 867 V CA 0.364 62.642 62.300 -0.037 0.000 1.089 867 V CB -0.041 31.766 31.823 -0.027 0.000 1.073 867 V HN 0.413 nan 8.190 nan 0.000 0.477 868 D N 1.448 121.789 120.400 -0.098 0.000 2.269 868 D HA 0.229 4.869 4.640 -0.001 0.000 0.220 868 D C 0.364 176.565 176.300 -0.163 0.000 0.962 868 D CA 1.040 54.961 54.000 -0.132 0.000 0.884 868 D CB 0.439 41.129 40.800 -0.184 0.000 1.023 868 D HN 0.518 nan 8.370 nan 0.000 0.484 869 V N 0.804 120.623 119.914 -0.157 0.000 2.914 869 V HA 0.472 4.591 4.120 -0.001 0.000 0.314 869 V C -1.721 174.300 176.094 -0.121 0.000 1.084 869 V CA -0.920 61.281 62.300 -0.164 0.000 0.963 869 V CB 1.966 33.677 31.823 -0.186 0.000 1.025 869 V HN 0.048 nan 8.190 nan 0.000 0.432 870 I N 6.387 126.881 120.570 -0.126 0.000 2.382 870 I HA 0.445 4.614 4.170 -0.001 0.000 0.285 870 I C -0.599 175.498 176.117 -0.032 0.000 1.007 870 I CA -0.465 60.793 61.300 -0.070 0.000 1.142 870 I CB 1.371 39.307 38.000 -0.106 0.000 1.289 870 I HN 0.331 nan 8.210 nan 0.000 0.453 871 L N 4.664 125.879 121.223 -0.013 0.000 2.334 871 L HA 0.331 4.670 4.340 -0.001 0.000 0.277 871 L C 0.321 177.203 176.870 0.020 0.000 1.075 871 L CA -0.441 54.395 54.840 -0.005 0.000 0.804 871 L CB 1.250 43.299 42.059 -0.017 0.000 1.174 871 L HN 0.578 nan 8.230 nan 0.000 0.438 872 N N 3.024 121.736 118.700 0.019 0.000 2.411 872 N HA 0.154 4.893 4.740 -0.001 0.000 0.259 872 N C -1.884 173.627 175.510 0.001 0.000 1.103 872 N CA -1.150 51.914 53.050 0.024 0.000 0.954 872 N CB 1.245 39.743 38.487 0.017 0.000 1.085 872 N HN 0.242 nan 8.380 nan 0.000 0.485 873 P HA -0.176 nan 4.420 nan 0.000 0.215 873 P C 1.263 178.548 177.300 -0.024 0.000 1.157 873 P CA 1.119 64.214 63.100 -0.009 0.000 0.874 873 P CB 0.172 31.872 31.700 -0.001 0.000 0.790 874 L N -1.257 119.950 121.223 -0.027 0.000 2.137 874 L HA -0.180 4.159 4.340 -0.001 0.000 0.213 874 L C 2.333 179.171 176.870 -0.054 0.000 1.085 874 L CA 1.729 56.543 54.840 -0.043 0.000 0.760 874 L CB -1.372 40.653 42.059 -0.056 0.000 0.893 874 L HN 0.098 nan 8.230 nan 0.000 0.434 875 G N -1.582 107.185 108.800 -0.054 0.000 2.776 875 G HA2 0.018 3.977 3.960 -0.001 0.000 0.209 875 G HA3 0.018 3.977 3.960 -0.001 0.000 0.209 875 G C 1.323 176.198 174.900 -0.042 0.000 1.145 875 G CA 0.475 45.543 45.100 -0.054 0.000 0.791 875 G HN 0.242 nan 8.290 nan 0.000 0.530 876 V N 0.926 120.815 119.914 -0.042 0.000 2.690 876 V HA 0.044 4.164 4.120 -0.001 0.000 0.240 876 V C 0.086 176.154 176.094 -0.042 0.000 1.078 876 V CA 0.857 63.131 62.300 -0.044 0.000 1.102 876 V CB -0.107 31.683 31.823 -0.054 0.000 0.800 876 V HN 0.114 nan 8.190 nan 0.000 0.479 877 P HA -0.191 nan 4.420 nan 0.000 0.212 877 P C 2.088 179.371 177.300 -0.029 0.000 1.178 877 P CA 2.677 65.756 63.100 -0.035 0.000 0.915 877 P CB -0.357 31.323 31.700 -0.033 0.000 0.788 878 S N 0.525 116.206 115.700 -0.030 0.000 2.392 878 S HA -0.212 4.258 4.470 -0.001 0.000 0.225 878 S C 1.275 175.864 174.600 -0.018 0.000 1.041 878 S CA 0.863 59.048 58.200 -0.025 0.000 1.100 878 S CB -1.516 61.664 63.200 -0.032 0.000 1.029 878 S HN 0.044 nan 8.310 nan 0.000 0.424 879 R N 0.754 121.243 120.500 -0.019 0.000 2.784 879 R HA 0.356 4.695 4.340 -0.001 0.000 0.266 879 R C -0.299 175.995 176.300 -0.009 0.000 1.044 879 R CA 0.459 56.553 56.100 -0.010 0.000 1.151 879 R CB 0.055 30.350 30.300 -0.008 0.000 1.037 879 R HN 0.451 nan 8.270 nan 0.000 0.478 880 M N 2.970 122.571 119.600 0.001 0.000 2.158 880 M HA 0.205 4.685 4.480 -0.001 0.000 0.326 880 M C -0.953 175.350 176.300 0.005 0.000 1.014 880 M CA 0.000 55.300 55.300 -0.000 0.000 0.961 880 M CB 0.550 33.156 32.600 0.010 0.000 1.327 880 M HN 0.637 nan 8.290 nan 0.000 0.393 881 N N 1.946 120.634 118.700 -0.020 0.000 2.716 881 N HA 0.249 4.988 4.740 -0.001 0.000 0.245 881 N C -0.019 175.418 175.510 -0.121 0.000 1.495 881 N CA -0.485 52.543 53.050 -0.037 0.000 0.759 881 N CB 0.701 39.180 38.487 -0.013 0.000 1.261 881 N HN 0.477 nan 8.380 nan 0.000 0.515 882 L N 0.347 121.501 121.223 -0.114 0.000 2.362 882 L HA 0.029 4.369 4.340 -0.001 0.000 0.219 882 L C 2.465 179.145 176.870 -0.317 0.000 1.134 882 L CA 1.033 55.748 54.840 -0.209 0.000 0.807 882 L CB -0.199 41.722 42.059 -0.229 0.000 0.927 882 L HN 0.780 nan 8.230 nan 0.000 0.447 883 G N 0.124 108.770 108.800 -0.257 0.000 2.469 883 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.220 883 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.220 883 G C 1.418 175.893 174.900 -0.707 0.000 1.136 883 G CA 0.795 45.674 45.100 -0.368 0.000 0.759 883 G HN 0.529 nan 8.290 nan 0.000 0.562 884 Q N -0.079 119.245 119.800 -0.793 0.000 2.079 884 Q HA 0.011 4.350 4.340 -0.001 0.000 0.200 884 Q C 2.350 178.173 176.000 -0.295 0.000 0.974 884 Q CA 0.888 56.464 55.803 -0.378 0.000 0.840 884 Q CB -0.249 28.389 28.738 -0.167 0.000 0.898 884 Q HN 0.402 nan 8.270 nan 0.000 0.430 885 I N 0.475 120.817 120.570 -0.379 0.000 2.756 885 I HA -0.131 4.038 4.170 -0.001 0.000 0.262 885 I C 1.939 177.528 176.117 -0.881 0.000 1.225 885 I CA 0.784 61.773 61.300 -0.518 0.000 1.472 885 I CB -0.704 37.066 38.000 -0.383 0.000 1.094 885 I HN 0.219 nan 8.210 nan 0.000 0.454 886 L N 0.658 121.471 121.223 -0.685 0.000 2.202 886 L HA -0.043 4.297 4.340 -0.001 0.000 0.205 886 L C 2.516 179.028 176.870 -0.597 0.000 1.083 886 L CA 1.348 55.720 54.840 -0.779 0.000 0.790 886 L CB -0.421 40.995 42.059 -1.072 0.000 0.942 886 L HN 0.205 nan 8.230 nan 0.000 0.452 887 E N -1.262 118.764 120.200 -0.290 0.000 2.077 887 E HA -0.216 4.133 4.350 -0.001 0.000 0.193 887 E C 1.736 178.364 176.600 0.046 0.000 0.989 887 E CA 1.750 58.237 56.400 0.145 0.000 0.800 887 E CB 0.005 29.936 29.700 0.385 0.000 0.746 887 E HN 0.438 nan 8.360 nan 0.000 0.452 888 T N -0.160 114.347 114.554 -0.079 0.000 2.788 888 T HA -0.146 4.204 4.350 -0.001 0.000 0.268 888 T C 1.358 176.102 174.700 0.072 0.000 1.044 888 T CA 1.611 63.700 62.100 -0.019 0.000 1.139 888 T CB -0.429 68.390 68.868 -0.082 0.000 0.867 888 T HN 0.429 nan 8.240 nan 0.000 0.454 889 H N 0.273 119.290 119.070 -0.090 0.000 2.276 889 H HA 0.109 4.664 4.556 -0.001 0.000 0.301 889 H C 2.397 177.674 175.328 -0.084 0.000 1.073 889 H CA 0.938 56.910 56.048 -0.127 0.000 1.311 889 H CB -0.178 29.467 29.762 -0.194 0.000 1.379 889 H HN 0.128 nan 8.280 nan 0.000 0.494 890 L N 0.845 122.084 121.223 0.027 0.000 2.127 890 L HA -0.115 4.225 4.340 -0.001 0.000 0.211 890 L C 2.501 179.393 176.870 0.037 0.000 1.089 890 L CA 1.335 56.134 54.840 -0.069 0.000 0.757 890 L CB -0.403 41.574 42.059 -0.137 0.000 0.899 890 L HN 0.328 nan 8.230 nan 0.000 0.434 891 G N -0.339 108.541 108.800 0.134 0.000 2.422 891 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.218 891 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.218 891 G C 1.458 176.529 174.900 0.285 0.000 1.140 891 G CA 0.707 45.945 45.100 0.229 0.000 0.775 891 G HN 0.329 nan 8.290 nan 0.000 0.545 892 L N 1.545 122.913 121.223 0.241 0.000 2.017 892 L HA 0.145 4.484 4.340 -0.001 0.000 0.208 892 L C 3.008 180.186 176.870 0.513 0.000 1.073 892 L CA 2.098 57.133 54.840 0.325 0.000 0.745 892 L CB -0.985 41.183 42.059 0.181 0.000 0.894 892 L HN 0.231 nan 8.230 nan 0.000 0.432 893 A N -0.504 122.570 122.820 0.424 0.000 1.877 893 A HA -0.097 4.223 4.320 -0.001 0.000 0.216 893 A C 2.361 180.281 177.584 0.561 0.000 1.186 893 A CA 1.630 53.978 52.037 0.518 0.000 0.620 893 A CB -1.622 17.620 19.000 0.403 0.000 0.822 893 A HN 0.524 nan 8.150 nan 0.000 0.443 894 G N -2.139 107.014 108.800 0.588 0.000 2.462 894 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.220 894 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.220 894 G C 1.491 176.604 174.900 0.356 0.000 1.121 894 G CA 1.269 46.706 45.100 0.562 0.000 0.758 894 G HN 0.558 nan 8.290 nan 0.000 0.559 895 Y N 0.356 120.802 120.300 0.242 0.000 2.163 895 Y HA 0.011 4.560 4.550 -0.001 0.000 0.288 895 Y C 2.074 177.929 175.900 -0.076 0.000 1.136 895 Y CA 1.454 59.575 58.100 0.035 0.000 1.147 895 Y CB -0.132 38.283 38.460 -0.076 0.000 0.987 895 Y HN 0.191 nan 8.280 nan 0.000 0.509 896 F N -1.353 118.757 119.950 0.266 0.000 2.754 896 F HA 0.091 4.617 4.527 -0.001 0.000 0.297 896 F C 1.546 177.425 175.800 0.132 0.000 1.122 896 F CA 0.399 58.497 58.000 0.164 0.000 1.400 896 F CB 0.055 39.183 39.000 0.213 0.000 1.117 896 F HN -0.042 nan 8.300 nan 0.000 0.587 897 L N -0.691 120.727 121.223 0.326 0.000 2.585 897 L HA 0.318 4.657 4.340 -0.001 0.000 0.226 897 L C 1.289 178.227 176.870 0.113 0.000 1.113 897 L CA 0.312 55.290 54.840 0.230 0.000 0.876 897 L CB -0.581 41.648 42.059 0.284 0.000 1.072 897 L HN 0.214 nan 8.230 nan 0.000 0.468 898 G N 2.173 111.013 108.800 0.068 0.000 2.359 898 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.298 898 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.298 898 G C -0.063 174.827 174.900 -0.016 0.000 1.030 898 G CA 0.530 45.626 45.100 -0.006 0.000 1.149 898 G HN 0.609 nan 8.290 nan 0.000 0.512 899 Q N -1.556 118.231 119.800 -0.021 0.000 2.353 899 Q HA 0.688 5.027 4.340 -0.001 0.000 0.275 899 Q C -0.494 175.384 176.000 -0.203 0.000 1.029 899 Q CA -1.245 54.459 55.803 -0.164 0.000 0.848 899 Q CB 1.840 30.386 28.738 -0.319 0.000 1.390 899 Q HN 0.278 nan 8.270 nan 0.000 0.401 900 R N 1.159 121.551 120.500 -0.180 0.000 2.536 900 R HA 0.583 4.923 4.340 -0.001 0.000 0.279 900 R C -1.211 175.004 176.300 -0.140 0.000 1.001 900 R CA -0.244 55.842 56.100 -0.023 0.000 1.027 900 R CB 0.907 31.227 30.300 0.035 0.000 1.096 900 R HN 0.680 nan 8.270 nan 0.000 0.502 901 Y N 1.434 121.794 120.300 0.101 0.000 2.662 901 Y HA 0.541 5.090 4.550 -0.001 0.000 0.335 901 Y C -0.108 175.839 175.900 0.078 0.000 1.066 901 Y CA -0.969 57.199 58.100 0.113 0.000 1.116 901 Y CB 1.499 40.203 38.460 0.407 0.000 1.308 901 Y HN 0.305 nan 8.280 nan 0.000 0.502 902 I N 1.225 121.960 120.570 0.274 0.000 2.540 902 I HA 0.209 4.379 4.170 -0.001 0.000 0.280 902 I C -0.859 175.434 176.117 0.293 0.000 1.083 902 I CA -0.372 61.015 61.300 0.146 0.000 1.080 902 I CB 1.615 39.609 38.000 -0.009 0.000 1.205 902 I HN 0.447 nan 8.210 nan 0.000 0.459 903 S N 7.386 123.199 115.700 0.189 0.000 2.420 903 S HA 0.533 5.003 4.470 -0.001 0.000 0.313 903 S C -2.306 172.237 174.600 -0.095 0.000 1.079 903 S CA -1.356 56.901 58.200 0.095 0.000 1.104 903 S CB 0.864 63.914 63.200 -0.250 0.000 0.969 903 S HN 0.192 nan 8.310 nan 0.000 0.471 904 P HA 0.077 nan 4.420 nan 0.000 0.273 904 P C 0.944 178.173 177.300 -0.118 0.000 1.252 904 P CA -0.319 62.756 63.100 -0.043 0.000 0.809 904 P CB 0.409 32.127 31.700 0.029 0.000 1.017 905 I N -0.684 119.799 120.570 -0.145 0.000 2.060 905 I HA -0.206 3.963 4.170 -0.001 0.000 0.233 905 I C 1.908 177.883 176.117 -0.237 0.000 1.054 905 I CA 2.024 63.145 61.300 -0.298 0.000 1.318 905 I CB -0.711 37.044 38.000 -0.407 0.000 1.054 905 I HN 0.360 nan 8.210 nan 0.000 0.395 906 F N -1.491 118.495 119.950 0.060 0.000 2.720 906 F HA 0.099 4.626 4.527 -0.001 0.000 0.301 906 F C 1.528 177.360 175.800 0.054 0.000 1.103 906 F CA 0.033 58.065 58.000 0.054 0.000 1.291 906 F CB 0.272 39.321 39.000 0.081 0.000 1.086 906 F HN 0.092 nan 8.300 nan 0.000 0.592 907 D N -0.142 120.383 120.400 0.209 0.000 2.398 907 D HA 0.151 4.790 4.640 -0.001 0.000 0.210 907 D C 1.745 178.131 176.300 0.144 0.000 1.094 907 D CA 0.297 54.394 54.000 0.162 0.000 0.839 907 D CB 0.136 41.018 40.800 0.137 0.000 0.963 907 D HN 0.108 nan 8.370 nan 0.000 0.506 908 G N 0.580 109.453 108.800 0.122 0.000 2.190 908 G HA2 0.229 4.189 3.960 -0.001 0.000 0.295 908 G HA3 0.229 4.189 3.960 -0.001 0.000 0.295 908 G C 0.423 175.402 174.900 0.131 0.000 1.507 908 G CA 0.219 45.394 45.100 0.124 0.000 1.034 908 G HN 0.366 nan 8.290 nan 0.000 0.483 909 A N -1.235 121.554 122.820 -0.052 0.000 2.322 909 A HA 0.644 4.964 4.320 -0.001 0.000 0.269 909 A C 0.167 177.719 177.584 -0.054 0.000 1.094 909 A CA 0.032 51.856 52.037 -0.356 0.000 0.807 909 A CB 1.000 19.290 19.000 -1.185 0.000 1.047 909 A HN 0.517 nan 8.150 nan 0.000 0.487 910 K N -0.154 120.211 120.400 -0.059 0.000 2.328 910 K HA 0.334 4.654 4.320 -0.001 0.000 0.246 910 K C 0.835 177.411 176.600 -0.040 0.000 0.955 910 K CA -0.360 55.929 56.287 0.004 0.000 0.817 910 K CB 1.472 34.000 32.500 0.047 0.000 1.208 910 K HN 0.747 nan 8.250 nan 0.000 0.432 911 E N 1.935 122.111 120.200 -0.042 0.000 2.136 911 E HA -0.198 4.152 4.350 -0.001 0.000 0.202 911 E C -1.141 175.435 176.600 -0.040 0.000 1.019 911 E CA 1.894 58.255 56.400 -0.066 0.000 0.819 911 E CB -0.245 29.415 29.700 -0.066 0.000 0.739 911 E HN 0.444 nan 8.360 nan 0.000 0.458 912 P HA -0.120 nan 4.420 nan 0.000 0.216 912 P C 0.475 177.794 177.300 0.032 0.000 1.153 912 P CA 1.346 64.451 63.100 0.009 0.000 0.844 912 P CB 0.035 31.749 31.700 0.023 0.000 0.787 913 E N -0.562 119.667 120.200 0.047 0.000 2.106 913 E HA -0.128 4.221 4.350 -0.001 0.000 0.192 913 E C 1.898 178.554 176.600 0.093 0.000 0.984 913 E CA 0.929 57.391 56.400 0.104 0.000 0.806 913 E CB -0.602 29.190 29.700 0.153 0.000 0.750 913 E HN 0.279 nan 8.360 nan 0.000 0.458 914 I N 1.353 121.922 120.570 -0.003 0.000 2.286 914 I HA -0.221 3.949 4.170 -0.001 0.000 0.245 914 I C 2.270 178.397 176.117 0.016 0.000 1.104 914 I CA 0.957 62.244 61.300 -0.023 0.000 1.397 914 I CB -0.140 37.793 38.000 -0.112 0.000 1.072 914 I HN -0.056 nan 8.210 nan 0.000 0.417 915 K N 0.496 120.893 120.400 -0.005 0.000 2.211 915 K HA -0.240 4.079 4.320 -0.001 0.000 0.204 915 K C 1.984 178.618 176.600 0.057 0.000 1.047 915 K CA 1.367 57.651 56.287 -0.005 0.000 0.935 915 K CB -0.154 32.330 32.500 -0.028 0.000 0.728 915 K HN 0.327 nan 8.250 nan 0.000 0.452 916 E N 1.068 121.319 120.200 0.086 0.000 2.047 916 E HA -0.103 4.247 4.350 -0.001 0.000 0.191 916 E C 1.966 178.671 176.600 0.174 0.000 0.987 916 E CA 0.765 57.238 56.400 0.121 0.000 0.799 916 E CB -0.018 29.759 29.700 0.129 0.000 0.752 916 E HN 0.174 nan 8.360 nan 0.000 0.449 917 L N -0.104 121.244 121.223 0.208 0.000 2.056 917 L HA -0.136 4.204 4.340 -0.001 0.000 0.207 917 L C 2.313 179.368 176.870 0.308 0.000 1.078 917 L CA 0.430 55.438 54.840 0.282 0.000 0.749 917 L CB -0.452 41.812 42.059 0.342 0.000 0.901 917 L HN 0.171 nan 8.230 nan 0.000 0.433 918 L N 0.324 121.707 121.223 0.267 0.000 2.083 918 L HA -0.152 4.187 4.340 -0.001 0.000 0.209 918 L C 2.769 179.942 176.870 0.505 0.000 1.083 918 L CA 1.846 56.926 54.840 0.400 0.000 0.752 918 L CB -0.935 41.193 42.059 0.114 0.000 0.899 918 L HN 0.203 nan 8.230 nan 0.000 0.433 919 A N -1.566 121.433 122.820 0.298 0.000 1.933 919 A HA -0.252 4.068 4.320 -0.001 0.000 0.218 919 A C 2.289 180.035 177.584 0.269 0.000 1.175 919 A CA 1.614 53.799 52.037 0.246 0.000 0.628 919 A CB -0.492 18.593 19.000 0.142 0.000 0.814 919 A HN 0.480 nan 8.150 nan 0.000 0.444 920 Q N -0.593 119.361 119.800 0.257 0.000 2.172 920 Q HA -0.077 4.262 4.340 -0.001 0.000 0.200 920 Q C 2.242 178.390 176.000 0.248 0.000 0.964 920 Q CA 1.325 57.265 55.803 0.228 0.000 0.855 920 Q CB -0.279 28.589 28.738 0.217 0.000 0.918 920 Q HN 0.608 nan 8.270 nan 0.000 0.444 921 A N -0.006 123.014 122.820 0.334 0.000 1.972 921 A HA -0.165 4.154 4.320 -0.001 0.000 0.219 921 A C 1.776 179.390 177.584 0.050 0.000 1.169 921 A CA 0.869 53.097 52.037 0.319 0.000 0.635 921 A CB -0.782 18.571 19.000 0.588 0.000 0.810 921 A HN 0.432 nan 8.150 nan 0.000 0.446 922 F N 0.551 120.424 119.950 -0.128 0.000 2.216 922 F HA -0.089 4.438 4.527 -0.001 0.000 0.300 922 F C 2.135 177.863 175.800 -0.121 0.000 1.085 922 F CA 1.860 59.672 58.000 -0.312 0.000 1.326 922 F CB -0.091 38.802 39.000 -0.178 0.000 1.027 922 F HN 0.234 nan 8.300 nan 0.000 0.497 923 E N -0.439 119.790 120.200 0.047 0.000 2.152 923 E HA -0.098 4.251 4.350 -0.001 0.000 0.192 923 E C 2.320 178.908 176.600 -0.018 0.000 0.983 923 E CA 0.903 57.310 56.400 0.013 0.000 0.818 923 E CB -0.357 29.392 29.700 0.082 0.000 0.758 923 E HN 0.222 nan 8.360 nan 0.000 0.467 924 V N 0.167 120.097 119.914 0.026 0.000 2.307 924 V HA -0.243 3.876 4.120 -0.001 0.000 0.245 924 V C 2.047 178.178 176.094 0.062 0.000 1.045 924 V CA 2.007 64.364 62.300 0.095 0.000 1.024 924 V CB -0.677 31.286 31.823 0.233 0.000 0.651 924 V HN 0.388 nan 8.190 nan 0.000 0.449 925 Y N -0.571 119.503 120.300 -0.377 0.000 2.092 925 Y HA -0.287 4.262 4.550 -0.001 0.000 0.282 925 Y C 2.327 177.984 175.900 -0.406 0.000 1.126 925 Y CA 2.158 59.869 58.100 -0.649 0.000 1.111 925 Y CB -0.177 37.505 38.460 -1.296 0.000 0.987 925 Y HN 0.230 nan 8.280 nan 0.000 0.489 926 F N 0.628 120.042 119.950 -0.893 0.000 2.569 926 F HA 0.163 4.689 4.527 -0.001 0.000 0.295 926 F C 2.196 177.721 175.800 -0.458 0.000 1.115 926 F CA 0.944 58.413 58.000 -0.886 0.000 1.450 926 F CB -0.342 37.833 39.000 -1.375 0.000 1.107 926 F HN 0.111 nan 8.300 nan 0.000 0.563 927 G N -0.104 108.586 108.800 -0.183 0.000 2.404 927 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.215 927 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.215 927 G C 1.633 176.461 174.900 -0.119 0.000 1.174 927 G CA 0.836 45.881 45.100 -0.093 0.000 0.780 927 G HN 0.192 nan 8.290 nan 0.000 0.537 928 K N 0.375 120.714 120.400 -0.101 0.000 2.148 928 K HA 0.082 4.401 4.320 -0.001 0.000 0.204 928 K C 2.496 179.011 176.600 -0.141 0.000 1.050 928 K CA 0.527 56.769 56.287 -0.076 0.000 0.942 928 K CB -0.191 32.308 32.500 -0.002 0.000 0.724 928 K HN 0.049 nan 8.250 nan 0.000 0.446 929 R N 0.673 121.021 120.500 -0.254 0.000 2.081 929 R HA -0.101 4.239 4.340 -0.001 0.000 0.235 929 R C 1.916 177.997 176.300 -0.365 0.000 1.131 929 R CA 1.721 57.608 56.100 -0.355 0.000 0.960 929 R CB -0.127 29.753 30.300 -0.700 0.000 0.856 929 R HN 0.202 nan 8.270 nan 0.000 0.436 930 K N -1.249 118.916 120.400 -0.390 0.000 2.025 930 K HA -0.064 4.256 4.320 -0.001 0.000 0.207 930 K C 2.108 178.593 176.600 -0.192 0.000 1.049 930 K CA 1.455 57.583 56.287 -0.265 0.000 0.933 930 K CB -0.361 32.045 32.500 -0.157 0.000 0.714 930 K HN 0.256 nan 8.250 nan 0.000 0.438 931 G N 0.880 109.585 108.800 -0.158 0.000 2.394 931 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.215 931 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.215 931 G C 1.184 175.982 174.900 -0.170 0.000 1.165 931 G CA 0.312 45.332 45.100 -0.133 0.000 0.784 931 G HN 0.256 nan 8.290 nan 0.000 0.535 932 E N -0.369 119.728 120.200 -0.172 0.000 2.267 932 E HA 0.051 4.400 4.350 -0.001 0.000 0.197 932 E C 1.883 178.246 176.600 -0.395 0.000 0.998 932 E CA 0.609 56.898 56.400 -0.185 0.000 0.830 932 E CB -0.080 29.566 29.700 -0.091 0.000 0.751 932 E HN 0.495 nan 8.360 nan 0.000 0.491 933 G N -0.937 107.555 108.800 -0.513 0.000 2.273 933 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.162 933 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.162 933 G C -0.148 174.099 174.900 -1.088 0.000 1.006 933 G CA -0.398 44.186 45.100 -0.861 0.000 0.704 933 G HN 0.137 nan 8.290 nan 0.000 0.487 934 F N -0.263 119.621 119.950 -0.109 0.000 2.613 934 F HA 0.736 5.263 4.527 -0.001 0.000 0.314 934 F C 1.078 176.777 175.800 -0.168 0.000 1.075 934 F CA -0.406 57.531 58.000 -0.105 0.000 0.945 934 F CB 1.408 40.359 39.000 -0.081 0.000 1.310 934 F HN 0.165 nan 8.300 nan 0.000 0.467 935 G N 0.234 109.087 108.800 0.089 0.000 3.434 935 G HA2 0.549 4.508 3.960 -0.001 0.000 0.192 935 G HA3 0.549 4.508 3.960 -0.001 0.000 0.192 935 G C -0.554 174.370 174.900 0.040 0.000 1.704 935 G CA -0.204 44.901 45.100 0.009 0.000 0.936 935 G HN 0.614 nan 8.290 nan 0.000 0.623 936 V N -0.914 119.076 119.914 0.127 0.000 2.612 936 V HA 0.578 4.698 4.120 -0.001 0.000 0.301 936 V C -0.709 175.456 176.094 0.117 0.000 1.046 936 V CA -0.975 61.421 62.300 0.160 0.000 0.946 936 V CB 1.591 33.530 31.823 0.194 0.000 1.003 936 V HN 0.421 nan 8.190 nan 0.000 0.459 937 D N 1.314 121.791 120.400 0.128 0.000 2.354 937 D HA 0.353 4.993 4.640 -0.001 0.000 0.247 937 D C 0.892 177.234 176.300 0.070 0.000 1.138 937 D CA -0.381 53.687 54.000 0.113 0.000 0.958 937 D CB 1.624 42.538 40.800 0.190 0.000 1.144 937 D HN 0.638 nan 8.370 nan 0.000 0.458 938 K N 0.315 120.747 120.400 0.052 0.000 2.211 938 K HA -0.019 4.301 4.320 -0.001 0.000 0.203 938 K C 1.878 178.473 176.600 -0.008 0.000 1.050 938 K CA 0.804 57.106 56.287 0.024 0.000 0.945 938 K CB 0.219 32.732 32.500 0.022 0.000 0.732 938 K HN 0.213 nan 8.250 nan 0.000 0.451 939 R N 0.913 121.394 120.500 -0.032 0.000 2.062 939 R HA -0.089 4.250 4.340 -0.001 0.000 0.231 939 R C 1.947 178.162 176.300 -0.143 0.000 1.136 939 R CA 1.397 57.405 56.100 -0.153 0.000 0.948 939 R CB -0.630 29.452 30.300 -0.363 0.000 0.845 939 R HN 0.377 nan 8.270 nan 0.000 0.430 940 E N 0.630 120.792 120.200 -0.062 0.000 2.130 940 E HA -0.138 4.211 4.350 -0.001 0.000 0.196 940 E C 2.017 178.626 176.600 0.016 0.000 0.998 940 E CA 1.444 57.851 56.400 0.012 0.000 0.806 940 E CB 0.013 29.787 29.700 0.123 0.000 0.738 940 E HN 0.088 nan 8.360 nan 0.000 0.459 941 V N 0.716 120.639 119.914 0.015 0.000 2.407 941 V HA -0.182 3.938 4.120 -0.001 0.000 0.245 941 V C 2.241 178.332 176.094 -0.006 0.000 1.041 941 V CA 1.633 63.941 62.300 0.014 0.000 1.040 941 V CB -0.358 31.478 31.823 0.021 0.000 0.671 941 V HN 0.186 nan 8.190 nan 0.000 0.455 942 E N 0.314 120.501 120.200 -0.022 0.000 2.038 942 E HA -0.232 4.117 4.350 -0.001 0.000 0.195 942 E C 2.247 178.827 176.600 -0.034 0.000 1.000 942 E CA 1.745 58.127 56.400 -0.029 0.000 0.803 942 E CB -0.308 29.367 29.700 -0.042 0.000 0.750 942 E HN 0.304 nan 8.360 nan 0.000 0.448 943 V N 0.576 120.460 119.914 -0.049 0.000 2.469 943 V HA -0.243 3.876 4.120 -0.001 0.000 0.251 943 V C 2.092 178.173 176.094 -0.022 0.000 1.064 943 V CA 1.664 63.939 62.300 -0.042 0.000 1.066 943 V CB -0.285 31.506 31.823 -0.054 0.000 0.667 943 V HN 0.354 nan 8.190 nan 0.000 0.461 944 L N -0.134 121.080 121.223 -0.014 0.000 2.046 944 L HA -0.162 4.177 4.340 -0.001 0.000 0.208 944 L C 2.813 179.675 176.870 -0.013 0.000 1.077 944 L CA 2.178 57.013 54.840 -0.008 0.000 0.747 944 L CB -0.636 41.422 42.059 -0.001 0.000 0.896 944 L HN 0.375 nan 8.230 nan 0.000 0.432 945 R N 0.691 121.183 120.500 -0.013 0.000 2.088 945 R HA -0.215 4.124 4.340 -0.001 0.000 0.232 945 R C 2.357 178.648 176.300 -0.016 0.000 1.136 945 R CA 1.862 57.954 56.100 -0.013 0.000 0.926 945 R CB -0.335 29.958 30.300 -0.012 0.000 0.837 945 R HN 0.275 nan 8.270 nan 0.000 0.429 946 R N -0.004 120.485 120.500 -0.018 0.000 2.154 946 R HA -0.179 4.160 4.340 -0.001 0.000 0.248 946 R C 2.301 178.590 176.300 -0.018 0.000 1.155 946 R CA 1.580 57.669 56.100 -0.018 0.000 0.979 946 R CB -0.435 29.852 30.300 -0.021 0.000 0.869 946 R HN 0.395 nan 8.270 nan 0.000 0.452 947 A N 1.334 124.143 122.820 -0.018 0.000 1.872 947 A HA -0.145 4.175 4.320 -0.001 0.000 0.214 947 A C 1.885 179.456 177.584 -0.022 0.000 1.187 947 A CA 1.073 53.098 52.037 -0.019 0.000 0.614 947 A CB -0.201 18.788 19.000 -0.017 0.000 0.826 947 A HN 0.304 nan 8.150 nan 0.000 0.442 948 E N -0.074 120.113 120.200 -0.021 0.000 2.150 948 E HA -0.136 4.214 4.350 -0.001 0.000 0.193 948 E C 1.759 178.347 176.600 -0.020 0.000 0.985 948 E CA 0.982 57.369 56.400 -0.022 0.000 0.814 948 E CB -0.127 29.561 29.700 -0.020 0.000 0.752 948 E HN 0.521 nan 8.360 nan 0.000 0.466 949 K N 0.358 120.748 120.400 -0.018 0.000 2.365 949 K HA -0.051 4.268 4.320 -0.001 0.000 0.199 949 K C 1.784 178.374 176.600 -0.018 0.000 1.045 949 K CA 0.218 56.495 56.287 -0.016 0.000 0.962 949 K CB 0.196 32.687 32.500 -0.015 0.000 0.759 949 K HN 0.069 nan 8.250 nan 0.000 0.469 950 L N -0.512 120.700 121.223 -0.020 0.000 2.145 950 L HA 0.074 4.414 4.340 -0.001 0.000 0.201 950 L C 1.058 177.914 176.870 -0.023 0.000 1.075 950 L CA 2.029 56.856 54.840 -0.021 0.000 0.773 950 L CB -0.305 41.741 42.059 -0.022 0.000 0.936 950 L HN 0.409 nan 8.230 nan 0.000 0.451 951 G N -1.047 107.737 108.800 -0.026 0.000 2.189 951 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.113 951 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.113 951 G C 0.414 175.293 174.900 -0.035 0.000 1.038 951 G CA 0.115 45.198 45.100 -0.028 0.000 0.704 951 G HN 0.167 nan 8.290 nan 0.000 0.490 952 L N -0.409 120.792 121.223 -0.037 0.000 2.556 952 L HA 0.397 4.737 4.340 -0.001 0.000 0.226 952 L C 0.852 177.692 176.870 -0.051 0.000 1.089 952 L CA 0.724 55.536 54.840 -0.045 0.000 0.864 952 L CB 0.323 42.356 42.059 -0.043 0.000 1.067 952 L HN 0.178 nan 8.230 nan 0.000 0.477 953 V N -0.310 119.577 119.914 -0.044 0.000 2.709 953 V HA 0.295 4.414 4.120 -0.001 0.000 0.308 953 V C 0.159 176.229 176.094 -0.041 0.000 1.062 953 V CA -1.013 61.257 62.300 -0.049 0.000 0.901 953 V CB 1.765 33.559 31.823 -0.048 0.000 1.003 953 V HN 0.315 nan 8.190 nan 0.000 0.425 954 T N 2.743 117.271 114.554 -0.044 0.000 2.765 954 T HA 0.249 4.598 4.350 -0.001 0.000 0.284 954 T C -2.347 172.335 174.700 -0.030 0.000 0.946 954 T CA -1.049 61.030 62.100 -0.035 0.000 1.185 954 T CB 0.115 68.962 68.868 -0.036 0.000 0.887 954 T HN 0.436 nan 8.240 nan 0.000 0.532 955 P HA 0.274 nan 4.420 nan 0.000 0.265 955 P C 1.233 178.523 177.300 -0.018 0.000 1.187 955 P CA 0.970 64.058 63.100 -0.020 0.000 0.766 955 P CB 0.190 31.880 31.700 -0.017 0.000 0.820 956 G N 1.079 109.870 108.800 -0.015 0.000 2.213 956 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.226 956 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.226 956 G C 0.177 175.069 174.900 -0.013 0.000 0.992 956 G CA -0.308 44.785 45.100 -0.012 0.000 0.632 956 G HN 0.529 nan 8.290 nan 0.000 0.511 957 K N 0.913 121.302 120.400 -0.019 0.000 2.090 957 K HA 0.552 4.871 4.320 -0.001 0.000 0.249 957 K C 0.636 177.225 176.600 -0.019 0.000 0.995 957 K CA 0.205 56.478 56.287 -0.022 0.000 0.914 957 K CB 1.119 33.597 32.500 -0.035 0.000 1.057 957 K HN 0.214 nan 8.250 nan 0.000 0.462 958 T N 0.370 114.914 114.554 -0.016 0.000 2.870 958 T HA 0.123 4.473 4.350 -0.001 0.000 0.300 958 T C -1.908 172.781 174.700 -0.019 0.000 0.989 958 T CA -1.521 60.575 62.100 -0.007 0.000 1.139 958 T CB 0.828 69.699 68.868 0.004 0.000 0.920 958 T HN 0.210 nan 8.240 nan 0.000 0.537 959 P HA -0.201 nan 4.420 nan 0.000 0.218 959 P C 1.296 178.555 177.300 -0.069 0.000 1.152 959 P CA 1.649 64.742 63.100 -0.013 0.000 0.857 959 P CB 0.108 31.826 31.700 0.031 0.000 0.787 960 E N -0.013 120.150 120.200 -0.063 0.000 2.038 960 E HA -0.238 4.111 4.350 -0.001 0.000 0.195 960 E C 1.860 178.362 176.600 -0.164 0.000 1.000 960 E CA 1.476 57.764 56.400 -0.186 0.000 0.803 960 E CB -0.624 29.068 29.700 -0.013 0.000 0.750 960 E HN 0.185 nan 8.360 nan 0.000 0.448 961 E N 0.180 120.324 120.200 -0.094 0.000 2.150 961 E HA -0.171 4.179 4.350 -0.001 0.000 0.193 961 E C 2.215 178.723 176.600 -0.154 0.000 0.985 961 E CA 1.027 57.363 56.400 -0.106 0.000 0.814 961 E CB -0.085 29.578 29.700 -0.062 0.000 0.752 961 E HN 0.530 nan 8.360 nan 0.000 0.466 962 Q N 0.443 120.169 119.800 -0.122 0.000 2.049 962 Q HA -0.040 4.300 4.340 -0.001 0.000 0.198 962 Q C 2.525 178.437 176.000 -0.147 0.000 0.971 962 Q CA 0.618 56.354 55.803 -0.112 0.000 0.833 962 Q CB -0.282 28.417 28.738 -0.064 0.000 0.896 962 Q HN 0.281 nan 8.270 nan 0.000 0.434 963 L N 1.080 122.216 121.223 -0.145 0.000 2.131 963 L HA -0.201 4.139 4.340 -0.001 0.000 0.210 963 L C 2.653 179.285 176.870 -0.397 0.000 1.092 963 L CA 1.155 55.939 54.840 -0.092 0.000 0.759 963 L CB -0.178 41.888 42.059 0.012 0.000 0.903 963 L HN 0.196 nan 8.230 nan 0.000 0.435 964 K N 0.020 119.886 120.400 -0.890 0.000 2.025 964 K HA -0.278 4.042 4.320 -0.001 0.000 0.207 964 K C 2.005 178.203 176.600 -0.670 0.000 1.049 964 K CA 1.818 57.127 56.287 -1.629 0.000 0.933 964 K CB 0.021 31.867 32.500 -1.089 0.000 0.714 964 K HN 0.177 nan 8.250 nan 0.000 0.438 965 E N 0.305 120.276 120.200 -0.382 0.000 2.118 965 E HA -0.195 4.154 4.350 -0.001 0.000 0.195 965 E C 1.807 178.304 176.600 -0.172 0.000 0.992 965 E CA 0.990 57.258 56.400 -0.219 0.000 0.804 965 E CB -0.051 29.556 29.700 -0.155 0.000 0.741 965 E HN 0.183 nan 8.360 nan 0.000 0.458 966 L N -0.355 120.778 121.223 -0.150 0.000 2.131 966 L HA 0.047 4.387 4.340 -0.001 0.000 0.206 966 L C 1.917 178.764 176.870 -0.038 0.000 1.087 966 L CA 1.332 56.127 54.840 -0.075 0.000 0.767 966 L CB -0.734 41.312 42.059 -0.023 0.000 0.917 966 L HN 0.267 nan 8.230 nan 0.000 0.441 967 F N -0.437 119.408 119.950 -0.176 0.000 2.146 967 F HA -0.175 4.352 4.527 -0.001 0.000 0.298 967 F C 2.138 177.869 175.800 -0.114 0.000 1.096 967 F CA 1.375 59.336 58.000 -0.064 0.000 1.275 967 F CB -0.224 38.807 39.000 0.051 0.000 1.008 967 F HN -0.020 nan 8.300 nan 0.000 0.480 968 L N 0.081 121.225 121.223 -0.132 0.000 2.129 968 L HA -0.276 4.063 4.340 -0.001 0.000 0.212 968 L C 2.419 179.120 176.870 -0.282 0.000 1.087 968 L CA 1.289 56.017 54.840 -0.187 0.000 0.757 968 L CB -0.866 41.119 42.059 -0.124 0.000 0.896 968 L HN 0.231 nan 8.230 nan 0.000 0.434 969 Q N -0.065 119.578 119.800 -0.262 0.000 2.439 969 Q HA -0.132 4.207 4.340 -0.001 0.000 0.211 969 Q C 1.564 177.290 176.000 -0.457 0.000 0.978 969 Q CA 0.997 56.635 55.803 -0.276 0.000 0.897 969 Q CB 0.032 28.658 28.738 -0.188 0.000 0.956 969 Q HN 0.716 nan 8.270 nan 0.000 0.483 970 G N 1.229 109.680 108.800 -0.581 0.000 2.157 970 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.239 970 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.239 970 G C -0.247 174.356 174.900 -0.494 0.000 0.982 970 G CA 0.290 44.907 45.100 -0.806 0.000 0.650 970 G HN 0.329 nan 8.290 nan 0.000 0.527 971 K N -0.072 120.145 120.400 -0.304 0.000 2.316 971 K HA 0.816 5.136 4.320 -0.001 0.000 0.251 971 K C -0.073 176.563 176.600 0.061 0.000 0.934 971 K CA -0.634 55.595 56.287 -0.095 0.000 0.802 971 K CB 3.318 35.779 32.500 -0.066 0.000 1.171 971 K HN 0.807 nan 8.250 nan 0.000 0.426 972 V N -1.355 118.657 119.914 0.163 0.000 3.126 972 V HA 0.568 4.687 4.120 -0.001 0.000 0.314 972 V C -0.492 175.739 176.094 0.229 0.000 1.138 972 V CA -1.000 61.490 62.300 0.316 0.000 1.034 972 V CB 1.882 33.976 31.823 0.451 0.000 1.075 972 V HN 0.511 nan 8.190 nan 0.000 0.442 973 V N 2.437 122.512 119.914 0.268 0.000 2.530 973 V HA 0.526 4.645 4.120 -0.001 0.000 0.282 973 V C -0.124 176.105 176.094 0.224 0.000 1.048 973 V CA -0.132 62.279 62.300 0.184 0.000 0.997 973 V CB 0.767 32.681 31.823 0.153 0.000 0.987 973 V HN 0.739 nan 8.190 nan 0.000 0.477 974 L N 4.939 126.248 121.223 0.142 0.000 2.408 974 L HA 0.612 4.951 4.340 -0.001 0.000 0.268 974 L C -0.984 175.967 176.870 0.134 0.000 0.986 974 L CA -0.318 54.634 54.840 0.187 0.000 0.820 974 L CB 1.976 44.116 42.059 0.134 0.000 1.303 974 L HN 0.508 nan 8.230 nan 0.000 0.411 975 Y N 1.990 122.176 120.300 -0.189 0.000 2.334 975 Y HA 0.202 4.751 4.550 -0.001 0.000 0.328 975 Y C 1.300 177.196 175.900 -0.007 0.000 1.130 975 Y CA -0.749 57.258 58.100 -0.155 0.000 1.163 975 Y CB 0.611 38.880 38.460 -0.317 0.000 1.207 975 Y HN 0.666 nan 8.280 nan 0.000 0.471 976 D N 1.691 122.230 120.400 0.231 0.000 2.149 976 D HA -0.176 4.463 4.640 -0.001 0.000 0.198 976 D C 1.796 178.286 176.300 0.317 0.000 0.990 976 D CA 2.042 56.172 54.000 0.216 0.000 0.839 976 D CB 0.085 40.960 40.800 0.125 0.000 0.948 976 D HN 1.006 nan 8.370 nan 0.000 0.460 977 G N 0.476 109.524 108.800 0.415 0.000 2.320 977 G HA2 -0.368 3.592 3.960 -0.001 0.000 0.242 977 G HA3 -0.368 3.592 3.960 -0.001 0.000 0.242 977 G C 1.496 176.497 174.900 0.169 0.000 1.033 977 G CA 0.560 45.857 45.100 0.329 0.000 0.620 977 G HN 0.420 nan 8.290 nan 0.000 0.517 978 R N -0.702 119.900 120.500 0.171 0.000 2.105 978 R HA 0.238 4.577 4.340 -0.001 0.000 0.214 978 R C 2.532 178.887 176.300 0.092 0.000 1.091 978 R CA 1.456 57.625 56.100 0.116 0.000 1.007 978 R CB -0.283 30.082 30.300 0.108 0.000 0.912 978 R HN 0.351 nan 8.270 nan 0.000 0.450 979 T N -1.593 113.023 114.554 0.104 0.000 2.990 979 T HA 0.178 4.527 4.350 -0.001 0.000 0.250 979 T C 1.219 175.992 174.700 0.121 0.000 1.041 979 T CA 0.860 63.012 62.100 0.087 0.000 1.010 979 T CB 0.354 69.257 68.868 0.059 0.000 1.003 979 T HN 0.472 nan 8.240 nan 0.000 0.499 980 G N 1.224 110.142 108.800 0.196 0.000 2.205 980 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.261 980 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.261 980 G C -0.026 175.044 174.900 0.283 0.000 0.980 980 G CA 0.517 45.790 45.100 0.287 0.000 0.632 980 G HN 0.621 nan 8.290 nan 0.000 0.533 981 E N 1.633 121.923 120.200 0.151 0.000 2.343 981 E HA 0.535 4.884 4.350 -0.001 0.000 0.269 981 E C -1.820 174.762 176.600 -0.029 0.000 1.047 981 E CA -1.713 54.714 56.400 0.045 0.000 0.874 981 E CB 1.344 31.056 29.700 0.020 0.000 1.033 981 E HN 0.241 nan 8.360 nan 0.000 0.409 982 P HA 0.099 nan 4.420 nan 0.000 0.274 982 P C -0.589 176.645 177.300 -0.109 0.000 1.246 982 P CA 0.077 63.013 63.100 -0.272 0.000 0.795 982 P CB 0.498 31.948 31.700 -0.416 0.000 1.006 983 I N 0.992 121.519 120.570 -0.072 0.000 2.287 983 I HA 0.087 4.257 4.170 -0.001 0.000 0.290 983 I C 1.076 177.171 176.117 -0.036 0.000 1.069 983 I CA -0.603 60.679 61.300 -0.031 0.000 1.237 983 I CB -0.302 37.704 38.000 0.009 0.000 1.418 983 I HN 0.418 nan 8.210 nan 0.000 0.481 984 E N 6.292 126.468 120.200 -0.041 0.000 3.102 984 E HA 0.151 4.500 4.350 -0.001 0.000 0.235 984 E C 0.300 176.886 176.600 -0.023 0.000 0.995 984 E CA 0.097 56.475 56.400 -0.036 0.000 0.950 984 E CB -0.191 29.490 29.700 -0.032 0.000 0.905 984 E HN 0.879 nan 8.360 nan 0.000 0.553 985 G N 3.170 111.958 108.800 -0.020 0.000 3.233 985 G HA2 -0.081 3.879 3.960 -0.001 0.000 0.686 985 G HA3 -0.081 3.879 3.960 -0.001 0.000 0.686 985 G C -2.855 172.045 174.900 0.001 0.000 1.153 985 G CA -0.897 44.197 45.100 -0.011 0.000 0.853 985 G HN 0.451 nan 8.290 nan 0.000 0.582 986 P HA 0.438 nan 4.420 nan 0.000 0.266 986 P C 0.161 177.475 177.300 0.022 0.000 1.195 986 P CA -0.022 63.092 63.100 0.023 0.000 0.768 986 P CB 0.585 32.296 31.700 0.017 0.000 0.838 987 I N 2.283 122.879 120.570 0.042 0.000 2.465 987 I HA 0.251 4.420 4.170 -0.001 0.000 0.291 987 I C 0.356 176.501 176.117 0.046 0.000 1.014 987 I CA -1.297 60.029 61.300 0.043 0.000 1.093 987 I CB 2.065 40.101 38.000 0.060 0.000 1.267 987 I HN 0.143 nan 8.210 nan 0.000 0.431 988 V N 7.736 127.671 119.914 0.035 0.000 2.881 988 V HA 0.678 4.798 4.120 -0.001 0.000 0.303 988 V C -0.329 175.800 176.094 0.058 0.000 1.070 988 V CA 0.070 62.392 62.300 0.036 0.000 1.074 988 V CB 1.670 33.541 31.823 0.080 0.000 1.012 988 V HN 0.582 nan 8.190 nan 0.000 0.482 989 V N 1.879 121.829 119.914 0.060 0.000 3.147 989 V HA 1.115 5.234 4.120 -0.001 0.000 0.306 989 V C -0.019 176.113 176.094 0.062 0.000 1.209 989 V CA 0.154 62.486 62.300 0.053 0.000 1.023 989 V CB 0.988 32.842 31.823 0.052 0.000 1.059 989 V HN 1.904 nan 8.190 nan 0.000 0.435 990 G N 1.095 109.914 108.800 0.031 0.000 2.321 990 G HA2 0.451 4.410 3.960 -0.001 0.000 0.296 990 G HA3 0.451 4.410 3.960 -0.001 0.000 0.296 990 G C -1.831 173.091 174.900 0.037 0.000 1.287 990 G CA -0.784 44.350 45.100 0.058 0.000 0.846 990 G HN 0.820 nan 8.290 nan 0.000 0.508 991 Q N 0.528 120.396 119.800 0.114 0.000 2.490 991 Q HA 0.453 4.793 4.340 -0.001 0.000 0.226 991 Q C 0.041 176.144 176.000 0.172 0.000 1.132 991 Q CA -0.104 55.791 55.803 0.154 0.000 0.928 991 Q CB 0.962 29.856 28.738 0.260 0.000 1.299 991 Q HN 0.499 nan 8.270 nan 0.000 0.528 992 M N 3.559 123.237 119.600 0.130 0.000 2.129 992 M HA 0.340 4.819 4.480 -0.001 0.000 0.348 992 M C -1.175 175.240 176.300 0.191 0.000 1.116 992 M CA -0.778 54.615 55.300 0.155 0.000 1.022 992 M CB 0.617 33.267 32.600 0.084 0.000 1.599 992 M HN 0.530 nan 8.290 nan 0.000 0.449 993 F N 7.641 127.655 119.950 0.107 0.000 2.502 993 F HA 0.444 4.971 4.527 -0.001 0.000 0.371 993 F C -1.176 174.681 175.800 0.096 0.000 1.083 993 F CA -0.189 57.872 58.000 0.103 0.000 1.174 993 F CB 0.289 39.344 39.000 0.093 0.000 1.096 993 F HN 0.440 nan 8.300 nan 0.000 0.545 994 I N 7.958 128.187 120.570 -0.569 0.000 2.498 994 I HA 0.346 4.516 4.170 -0.001 0.000 0.290 994 I C -0.678 175.161 176.117 -0.464 0.000 1.032 994 I CA -0.978 60.040 61.300 -0.470 0.000 1.073 994 I CB 2.050 39.955 38.000 -0.158 0.000 1.251 994 I HN 0.566 nan 8.210 nan 0.000 0.426 995 M N 4.643 124.008 119.600 -0.392 0.000 2.537 995 M HA 0.505 4.985 4.480 -0.001 0.000 0.324 995 M C -0.449 175.872 176.300 0.036 0.000 1.187 995 M CA -0.797 54.395 55.300 -0.180 0.000 0.993 995 M CB 2.279 34.779 32.600 -0.166 0.000 1.666 995 M HN 0.462 nan 8.290 nan 0.000 0.461 996 K N 2.362 122.827 120.400 0.107 0.000 2.172 996 K HA 0.474 4.794 4.320 -0.001 0.000 0.276 996 K C -1.390 175.250 176.600 0.066 0.000 1.013 996 K CA -0.561 55.796 56.287 0.118 0.000 0.913 996 K CB 0.965 33.575 32.500 0.183 0.000 1.055 996 K HN 0.616 nan 8.250 nan 0.000 0.461 997 L N 4.003 125.253 121.223 0.046 0.000 2.360 997 L HA 0.214 4.554 4.340 -0.001 0.000 0.271 997 L C 0.049 176.988 176.870 0.116 0.000 1.057 997 L CA -0.695 54.201 54.840 0.093 0.000 0.803 997 L CB 0.174 42.287 42.059 0.090 0.000 1.207 997 L HN 0.668 nan 8.230 nan 0.000 0.445 998 Y N 2.193 122.531 120.300 0.064 0.000 2.721 998 Y HA -0.064 4.486 4.550 -0.001 0.000 0.329 998 Y C 0.189 176.181 175.900 0.153 0.000 1.211 998 Y CA 0.053 58.210 58.100 0.094 0.000 1.512 998 Y CB -0.162 38.368 38.460 0.116 0.000 1.249 998 Y HN 0.354 nan 8.280 nan 0.000 0.549 999 H N 7.799 126.578 119.070 -0.485 0.000 2.911 999 H HA 0.234 4.789 4.556 -0.001 0.000 0.273 999 H C 0.153 174.852 175.328 -1.048 0.000 1.157 999 H CA -0.144 55.552 56.048 -0.587 0.000 1.402 999 H CB 0.110 29.663 29.762 -0.348 0.000 1.463 999 H HN 0.877 nan 8.280 nan 0.000 0.475 1000 M N 2.097 121.186 119.600 -0.852 0.000 1.921 1000 M HA 0.035 4.514 4.480 -0.001 0.000 0.243 1000 M C 1.006 177.107 176.300 -0.332 0.000 1.280 1000 M CA -0.315 54.582 55.300 -0.671 0.000 0.988 1000 M CB 0.823 33.245 32.600 -0.296 0.000 1.336 1000 M HN 0.310 nan 8.290 nan 0.000 0.496 1001 V N 0.735 120.552 119.914 -0.162 0.000 3.444 1001 V HA -0.143 3.977 4.120 -0.001 0.000 0.271 1001 V C 1.661 177.660 176.094 -0.158 0.000 1.188 1001 V CA 1.628 63.846 62.300 -0.136 0.000 1.168 1001 V CB -1.708 30.077 31.823 -0.064 0.000 0.810 1001 V HN 0.905 nan 8.190 nan 0.000 0.500 1002 E N 0.866 120.973 120.200 -0.155 0.000 2.230 1002 E HA -0.179 4.171 4.350 -0.001 0.000 0.192 1002 E C 1.838 178.333 176.600 -0.176 0.000 0.987 1002 E CA 1.278 57.602 56.400 -0.127 0.000 0.841 1002 E CB -0.323 29.325 29.700 -0.087 0.000 0.783 1002 E HN 0.648 nan 8.360 nan 0.000 0.481 1003 D N 0.827 121.060 120.400 -0.279 0.000 2.085 1003 D HA -0.116 4.524 4.640 -0.001 0.000 0.199 1003 D C 0.187 176.295 176.300 -0.320 0.000 0.981 1003 D CA 0.669 54.432 54.000 -0.394 0.000 0.834 1003 D CB 0.052 40.346 40.800 -0.843 0.000 0.992 1003 D HN -0.098 nan 8.370 nan 0.000 0.457 1004 K N 2.264 122.482 120.400 -0.303 0.000 2.447 1004 K HA 0.055 4.375 4.320 -0.001 0.000 0.281 1004 K C 0.691 177.182 176.600 -0.181 0.000 1.031 1004 K CA -0.056 56.106 56.287 -0.208 0.000 1.019 1004 K CB 0.592 32.988 32.500 -0.174 0.000 0.918 1004 K HN 0.435 nan 8.250 nan 0.000 0.476 1005 M N 2.216 121.744 119.600 -0.121 0.000 2.250 1005 M HA 0.117 4.596 4.480 -0.001 0.000 0.325 1005 M C -0.494 175.797 176.300 -0.015 0.000 1.084 1005 M CA 0.809 56.071 55.300 -0.063 0.000 1.161 1005 M CB 0.427 33.007 32.600 -0.034 0.000 1.481 1005 M HN 0.289 nan 8.290 nan 0.000 0.449 1006 H N 1.853 120.954 119.070 0.051 0.000 2.823 1006 H HA 0.718 5.273 4.556 -0.001 0.000 0.332 1006 H C -1.366 173.900 175.328 -0.104 0.000 0.980 1006 H CA -0.654 55.471 56.048 0.129 0.000 1.286 1006 H CB 1.731 31.582 29.762 0.147 0.000 1.541 1006 H HN 0.872 nan 8.280 nan 0.000 0.521 1007 A N 4.324 126.938 122.820 -0.343 0.000 2.335 1007 A HA 0.624 4.943 4.320 -0.001 0.000 0.304 1007 A C -0.444 176.640 177.584 -0.834 0.000 1.118 1007 A CA -0.746 51.002 52.037 -0.481 0.000 0.757 1007 A CB 1.229 19.994 19.000 -0.393 0.000 1.188 1007 A HN 0.650 nan 8.150 nan 0.000 0.460 1008 R N 2.004 122.259 120.500 -0.408 0.000 2.534 1008 R HA 0.501 4.840 4.340 -0.001 0.000 0.301 1008 R C 0.840 177.031 176.300 -0.182 0.000 0.961 1008 R CA 0.278 56.210 56.100 -0.282 0.000 0.871 1008 R CB 1.693 31.943 30.300 -0.084 0.000 1.170 1008 R HN 0.887 nan 8.270 nan 0.000 0.446 1009 S N 2.132 117.744 115.700 -0.147 0.000 2.310 1009 S HA 0.141 4.611 4.470 -0.001 0.000 0.205 1009 S C 0.320 174.837 174.600 -0.138 0.000 1.020 1009 S CA 0.613 58.741 58.200 -0.119 0.000 0.939 1009 S CB 0.106 63.250 63.200 -0.094 0.000 0.919 1009 S HN 0.615 nan 8.310 nan 0.000 0.501 1010 T N -0.373 114.083 114.554 -0.163 0.000 2.896 1010 T HA 0.780 5.129 4.350 -0.001 0.000 0.297 1010 T C 0.015 174.590 174.700 -0.208 0.000 1.108 1010 T CA -0.384 61.579 62.100 -0.228 0.000 1.004 1010 T CB 1.637 70.278 68.868 -0.378 0.000 1.159 1010 T HN 0.825 nan 8.240 nan 0.000 0.499 1011 G N 0.764 109.386 108.800 -0.296 0.000 2.539 1011 G HA2 0.579 4.539 3.960 -0.001 0.000 0.138 1011 G HA3 0.579 4.539 3.960 -0.001 0.000 0.138 1011 G C -3.121 171.565 174.900 -0.358 0.000 1.148 1011 G CA -0.625 44.321 45.100 -0.256 0.000 1.057 1011 G HN 0.702 nan 8.290 nan 0.000 0.511 1012 P HA 0.644 nan 4.420 nan 0.000 0.276 1012 P C -1.570 175.475 177.300 -0.426 0.000 1.261 1012 P CA -0.142 62.815 63.100 -0.237 0.000 0.800 1012 P CB 0.546 32.167 31.700 -0.132 0.000 1.066 1013 Y N -2.000 118.285 120.300 -0.025 0.000 2.571 1013 Y HA 0.395 4.945 4.550 -0.001 0.000 0.341 1013 Y C 0.564 176.454 175.900 -0.017 0.000 1.076 1013 Y CA -0.784 57.303 58.100 -0.021 0.000 1.029 1013 Y CB 1.714 40.162 38.460 -0.020 0.000 1.308 1013 Y HN 0.199 nan 8.280 nan 0.000 0.461 1014 S N 1.181 116.983 115.700 0.170 0.000 2.585 1014 S HA 0.129 4.598 4.470 -0.001 0.000 0.273 1014 S C 0.908 175.547 174.600 0.065 0.000 1.339 1014 S CA -0.417 57.834 58.200 0.084 0.000 1.028 1014 S CB 0.498 63.734 63.200 0.061 0.000 0.906 1014 S HN 0.698 nan 8.310 nan 0.000 0.528 1015 L N 5.819 127.065 121.223 0.037 0.000 2.027 1015 L HA 0.027 4.366 4.340 -0.001 0.000 0.206 1015 L C 1.887 178.762 176.870 0.009 0.000 1.074 1015 L CA 1.767 56.620 54.840 0.021 0.000 0.745 1015 L CB -0.452 41.615 42.059 0.013 0.000 0.898 1015 L HN 0.866 nan 8.230 nan 0.000 0.433 1016 I N -2.925 117.651 120.570 0.009 0.000 2.556 1016 I HA 0.106 4.276 4.170 -0.001 0.000 0.251 1016 I C 0.857 176.977 176.117 0.005 0.000 1.105 1016 I CA 0.812 62.112 61.300 0.001 0.000 1.436 1016 I CB -1.940 36.061 38.000 0.001 0.000 1.139 1016 I HN 0.336 nan 8.210 nan 0.000 0.438 1017 T N 0.640 115.203 114.554 0.016 0.000 2.889 1017 T HA 0.261 4.610 4.350 -0.001 0.000 0.291 1017 T C 0.489 175.207 174.700 0.031 0.000 0.995 1017 T CA -0.444 61.670 62.100 0.023 0.000 1.092 1017 T CB 1.944 70.830 68.868 0.029 0.000 0.954 1017 T HN 0.168 nan 8.240 nan 0.000 0.506 1018 Q N 1.612 121.423 119.800 0.018 0.000 2.225 1018 Q HA 0.133 4.473 4.340 -0.001 0.000 0.222 1018 Q C 0.164 176.208 176.000 0.075 0.000 0.887 1018 Q CA 0.055 55.858 55.803 0.000 0.000 0.958 1018 Q CB 0.171 28.857 28.738 -0.086 0.000 1.058 1018 Q HN 0.692 nan 8.270 nan 0.000 0.459 1019 Q N 0.499 120.374 119.800 0.125 0.000 2.259 1019 Q HA 0.343 4.683 4.340 -0.001 0.000 0.246 1019 Q C -2.249 173.903 176.000 0.253 0.000 0.920 1019 Q CA -2.078 53.831 55.803 0.177 0.000 0.895 1019 Q CB 0.353 29.148 28.738 0.095 0.000 1.220 1019 Q HN 0.047 nan 8.270 nan 0.000 0.439 1020 P HA 0.084 nan 4.420 nan 0.000 0.265 1020 P C -0.927 176.329 177.300 -0.074 0.000 1.193 1020 P CA 0.356 63.413 63.100 -0.071 0.000 0.765 1020 P CB 0.407 32.035 31.700 -0.121 0.000 0.823 1021 L N 2.244 123.385 121.223 -0.137 0.000 2.506 1021 L HA 0.658 4.998 4.340 -0.001 0.000 0.257 1021 L C 0.780 177.576 176.870 -0.124 0.000 0.964 1021 L CA -0.022 54.762 54.840 -0.093 0.000 0.836 1021 L CB 2.097 44.131 42.059 -0.041 0.000 1.384 1021 L HN 0.485 nan 8.230 nan 0.000 0.410 1022 G N -0.703 108.031 108.800 -0.110 0.000 3.069 1022 G HA2 0.727 4.687 3.960 -0.001 0.000 0.205 1022 G HA3 0.727 4.687 3.960 -0.001 0.000 0.205 1022 G C 0.321 175.167 174.900 -0.090 0.000 1.771 1022 G CA 0.307 45.335 45.100 -0.121 0.000 0.739 1022 G HN 1.167 nan 8.290 nan 0.000 0.784 1023 G N -0.263 108.484 108.800 -0.088 0.000 1.829 1023 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.214 1023 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.214 1023 G C 1.074 175.949 174.900 -0.041 0.000 1.627 1023 G CA 0.769 45.841 45.100 -0.046 0.000 1.390 1023 G HN 0.573 nan 8.290 nan 0.000 0.458 1024 K N 0.343 120.712 120.400 -0.051 0.000 1.965 1024 K HA 0.296 4.615 4.320 -0.001 0.000 0.214 1024 K C 2.705 179.243 176.600 -0.103 0.000 1.042 1024 K CA 2.023 58.280 56.287 -0.050 0.000 0.950 1024 K CB -0.259 32.215 32.500 -0.044 0.000 0.733 1024 K HN 0.561 nan 8.250 nan 0.000 0.441 1025 A N -0.198 122.530 122.820 -0.154 0.000 2.127 1025 A HA 0.107 4.426 4.320 -0.001 0.000 0.204 1025 A C 0.284 177.621 177.584 -0.411 0.000 1.243 1025 A CA -0.027 51.858 52.037 -0.253 0.000 0.887 1025 A CB 0.464 19.350 19.000 -0.190 0.000 0.933 1025 A HN 0.214 nan 8.150 nan 0.000 0.479 1026 Q N 0.168 119.800 119.800 -0.280 0.000 2.406 1026 Q HA 0.496 4.835 4.340 -0.001 0.000 0.242 1026 Q C 0.057 175.923 176.000 -0.224 0.000 1.036 1026 Q CA -0.401 55.262 55.803 -0.232 0.000 0.904 1026 Q CB -0.016 28.650 28.738 -0.120 0.000 1.244 1026 Q HN 0.526 nan 8.270 nan 0.000 0.478 1027 F N 1.542 121.368 119.950 -0.207 0.000 2.065 1027 F HA -0.317 4.210 4.527 -0.001 0.000 0.290 1027 F C 1.433 176.838 175.800 -0.659 0.000 1.079 1027 F CA 1.553 59.225 58.000 -0.547 0.000 1.261 1027 F CB -0.667 38.147 39.000 -0.309 0.000 0.968 1027 F HN 0.684 nan 8.300 nan 0.000 0.496 1028 G N -0.789 107.917 108.800 -0.156 0.000 3.067 1028 G HA2 0.291 4.251 3.960 -0.001 0.000 0.686 1028 G HA3 0.291 4.251 3.960 -0.001 0.000 0.686 1028 G C -0.125 174.700 174.900 -0.126 0.000 1.119 1028 G CA -0.921 44.078 45.100 -0.168 0.000 0.790 1028 G HN 0.699 nan 8.290 nan 0.000 0.605 1029 G N 0.576 109.318 108.800 -0.097 0.000 2.491 1029 G HA2 0.531 4.490 3.960 -0.001 0.000 0.242 1029 G HA3 0.531 4.490 3.960 -0.001 0.000 0.242 1029 G C 0.252 175.138 174.900 -0.024 0.000 1.266 1029 G CA 0.051 45.115 45.100 -0.059 0.000 0.844 1029 G HN 0.820 nan 8.290 nan 0.000 0.571 1030 Q N -0.596 119.203 119.800 -0.001 0.000 2.306 1030 Q HA 0.331 4.670 4.340 -0.001 0.000 0.241 1030 Q C 0.701 176.730 176.000 0.049 0.000 0.948 1030 Q CA -0.331 55.486 55.803 0.024 0.000 0.886 1030 Q CB 0.809 29.567 28.738 0.034 0.000 1.227 1030 Q HN 0.626 nan 8.270 nan 0.000 0.457 1031 R N 1.806 122.331 120.500 0.042 0.000 2.390 1031 R HA 0.111 4.451 4.340 -0.001 0.000 0.291 1031 R C -0.123 176.231 176.300 0.091 0.000 1.070 1031 R CA 0.033 56.164 56.100 0.052 0.000 1.014 1031 R CB 0.237 30.541 30.300 0.007 0.000 1.007 1031 R HN 0.728 nan 8.270 nan 0.000 0.466 1032 F N 3.190 123.115 119.950 -0.042 0.000 2.754 1032 F HA 0.327 4.854 4.527 -0.001 0.000 0.297 1032 F C 0.826 176.572 175.800 -0.090 0.000 1.122 1032 F CA 0.808 58.778 58.000 -0.050 0.000 1.400 1032 F CB 0.074 39.053 39.000 -0.036 0.000 1.117 1032 F HN 0.903 nan 8.300 nan 0.000 0.587 1033 G N 1.764 110.468 108.800 -0.161 0.000 3.488 1033 G HA2 -0.345 3.614 3.960 -0.001 0.000 0.612 1033 G HA3 -0.345 3.614 3.960 -0.001 0.000 0.612 1033 G C 0.926 175.549 174.900 -0.463 0.000 1.622 1033 G CA 0.316 45.245 45.100 -0.284 0.000 1.268 1033 G HN 0.634 nan 8.290 nan 0.000 0.593 1034 E N 1.363 121.256 120.200 -0.512 0.000 2.110 1034 E HA -0.194 4.155 4.350 -0.001 0.000 0.193 1034 E C 2.472 178.236 176.600 -1.394 0.000 0.988 1034 E CA 1.501 57.384 56.400 -0.863 0.000 0.804 1034 E CB -0.123 29.068 29.700 -0.848 0.000 0.745 1034 E HN 0.536 nan 8.360 nan 0.000 0.458 1035 M N 1.080 120.011 119.600 -1.114 0.000 2.143 1035 M HA -0.207 4.273 4.480 -0.001 0.000 0.258 1035 M C 1.591 177.625 176.300 -0.443 0.000 1.071 1035 M CA 2.011 56.860 55.300 -0.752 0.000 1.088 1035 M CB 0.014 32.397 32.600 -0.363 0.000 1.360 1035 M HN 0.092 nan 8.290 nan 0.000 0.404 1036 E N -1.527 118.323 120.200 -0.583 0.000 2.190 1036 E HA -0.031 4.319 4.350 -0.001 0.000 0.191 1036 E C 1.964 178.201 176.600 -0.606 0.000 0.978 1036 E CA 0.827 56.843 56.400 -0.640 0.000 0.839 1036 E CB -0.362 28.723 29.700 -1.025 0.000 0.787 1036 E HN 0.256 nan 8.360 nan 0.000 0.473 1037 V N 0.648 120.223 119.914 -0.564 0.000 2.287 1037 V HA -0.263 3.857 4.120 -0.001 0.000 0.248 1037 V C 1.789 178.002 176.094 0.199 0.000 1.053 1037 V CA 1.683 64.022 62.300 0.064 0.000 1.027 1037 V CB -0.667 31.181 31.823 0.043 0.000 0.646 1037 V HN 0.364 nan 8.190 nan 0.000 0.447 1038 W N 0.348 121.657 121.300 0.014 0.000 2.335 1038 W HA -0.168 4.491 4.660 -0.001 0.000 0.311 1038 W C 2.828 179.350 176.519 0.005 0.000 1.213 1038 W CA 1.461 58.809 57.345 0.005 0.000 1.274 1038 W CB -1.727 27.715 29.460 -0.029 0.000 1.148 1038 W HN 0.325 nan 8.180 nan 0.000 0.498 1039 A N 0.127 123.081 122.820 0.223 0.000 1.903 1039 A HA -0.212 4.108 4.320 -0.001 0.000 0.219 1039 A C 2.122 179.860 177.584 0.255 0.000 1.191 1039 A CA 2.199 54.329 52.037 0.156 0.000 0.638 1039 A CB -1.018 18.060 19.000 0.130 0.000 0.823 1039 A HN 0.208 nan 8.150 nan 0.000 0.451 1040 L N -0.583 120.836 121.223 0.328 0.000 2.131 1040 L HA -0.057 4.282 4.340 -0.001 0.000 0.206 1040 L C 2.375 179.418 176.870 0.288 0.000 1.087 1040 L CA 1.658 56.730 54.840 0.388 0.000 0.767 1040 L CB -0.510 41.785 42.059 0.394 0.000 0.917 1040 L HN 0.461 nan 8.230 nan 0.000 0.441 1041 E N -0.621 119.725 120.200 0.245 0.000 2.049 1041 E HA -0.310 4.040 4.350 -0.001 0.000 0.198 1041 E C 2.196 178.862 176.600 0.110 0.000 1.007 1041 E CA 1.315 57.824 56.400 0.180 0.000 0.809 1041 E CB -0.212 29.613 29.700 0.209 0.000 0.749 1041 E HN 0.545 nan 8.360 nan 0.000 0.450 1042 A N 1.049 123.900 122.820 0.051 0.000 1.869 1042 A HA -0.193 4.126 4.320 -0.001 0.000 0.218 1042 A C 0.957 178.495 177.584 -0.078 0.000 1.203 1042 A CA 1.331 53.315 52.037 -0.089 0.000 0.638 1042 A CB -1.064 17.788 19.000 -0.247 0.000 0.831 1042 A HN 0.227 nan 8.150 nan 0.000 0.450 1043 Y N -1.278 119.064 120.300 0.068 0.000 2.394 1043 Y HA 0.292 4.841 4.550 -0.001 0.000 0.351 1043 Y C 1.872 177.804 175.900 0.054 0.000 1.272 1043 Y CA 0.079 58.214 58.100 0.058 0.000 1.508 1043 Y CB 0.364 38.862 38.460 0.064 0.000 1.369 1043 Y HN 0.155 nan 8.280 nan 0.000 0.639 1044 G N 0.189 109.137 108.800 0.246 0.000 3.124 1044 G HA2 0.165 4.125 3.960 -0.001 0.000 0.212 1044 G HA3 0.165 4.125 3.960 -0.001 0.000 0.212 1044 G C 0.406 175.383 174.900 0.128 0.000 1.181 1044 G CA 0.162 45.348 45.100 0.143 0.000 0.803 1044 G HN 0.746 nan 8.290 nan 0.000 0.529 1045 A N 0.654 123.572 122.820 0.165 0.000 2.898 1045 A HA 0.561 4.880 4.320 -0.001 0.000 0.288 1045 A C 1.719 179.357 177.584 0.090 0.000 1.771 1045 A CA 0.682 52.792 52.037 0.122 0.000 1.383 1045 A CB -0.292 18.790 19.000 0.137 0.000 1.028 1045 A HN 0.527 nan 8.150 nan 0.000 0.595 1046 A N 1.554 124.404 122.820 0.050 0.000 1.850 1046 A HA -0.020 4.300 4.320 -0.001 0.000 0.212 1046 A C 1.957 179.471 177.584 -0.117 0.000 1.208 1046 A CA 1.208 53.213 52.037 -0.054 0.000 0.609 1046 A CB -0.698 18.219 19.000 -0.139 0.000 0.860 1046 A HN 0.822 nan 8.150 nan 0.000 0.448 1047 H N 0.090 119.168 119.070 0.014 0.000 2.357 1047 H HA -0.079 4.477 4.556 -0.001 0.000 0.301 1047 H C 2.262 177.577 175.328 -0.020 0.000 1.082 1047 H CA 1.893 57.939 56.048 -0.004 0.000 1.342 1047 H CB -0.568 29.191 29.762 -0.005 0.000 1.389 1047 H HN 0.461 nan 8.280 nan 0.000 0.511 1048 T N 1.739 116.348 114.554 0.092 0.000 2.803 1048 T HA -0.138 4.211 4.350 -0.001 0.000 0.269 1048 T C 2.152 176.820 174.700 -0.053 0.000 1.052 1048 T CA 1.016 63.127 62.100 0.019 0.000 1.136 1048 T CB -0.313 68.572 68.868 0.028 0.000 0.864 1048 T HN 0.091 nan 8.240 nan 0.000 0.467 1049 L N 0.966 122.173 121.223 -0.026 0.000 2.095 1049 L HA 0.112 4.451 4.340 -0.001 0.000 0.204 1049 L C 2.504 179.318 176.870 -0.094 0.000 1.080 1049 L CA 1.627 56.426 54.840 -0.069 0.000 0.759 1049 L CB -0.905 41.176 42.059 0.037 0.000 0.914 1049 L HN 0.061 nan 8.230 nan 0.000 0.439 1050 Q N 0.326 120.092 119.800 -0.057 0.000 2.061 1050 Q HA -0.292 4.048 4.340 -0.001 0.000 0.204 1050 Q C 2.205 178.178 176.000 -0.046 0.000 0.984 1050 Q CA 2.411 58.186 55.803 -0.047 0.000 0.846 1050 Q CB -0.423 28.287 28.738 -0.048 0.000 0.902 1050 Q HN 0.645 nan 8.270 nan 0.000 0.421 1051 E N -0.973 119.205 120.200 -0.038 0.000 2.065 1051 E HA -0.283 4.067 4.350 -0.001 0.000 0.201 1051 E C 1.828 178.365 176.600 -0.104 0.000 1.016 1051 E CA 1.809 58.181 56.400 -0.047 0.000 0.818 1051 E CB -0.159 29.519 29.700 -0.036 0.000 0.749 1051 E HN 0.365 nan 8.360 nan 0.000 0.453 1052 M N 0.177 119.652 119.600 -0.209 0.000 2.108 1052 M HA -0.129 4.350 4.480 -0.001 0.000 0.261 1052 M C 1.919 178.098 176.300 -0.201 0.000 1.066 1052 M CA 1.390 56.491 55.300 -0.332 0.000 1.107 1052 M CB -0.074 32.050 32.600 -0.794 0.000 1.356 1052 M HN 0.188 nan 8.290 nan 0.000 0.406 1053 L N -1.792 119.348 121.223 -0.138 0.000 2.509 1053 L HA 0.035 4.374 4.340 -0.001 0.000 0.222 1053 L C 1.666 178.525 176.870 -0.018 0.000 1.123 1053 L CA 1.190 56.001 54.840 -0.048 0.000 0.856 1053 L CB -1.307 40.746 42.059 -0.011 0.000 0.985 1053 L HN 0.458 nan 8.230 nan 0.000 0.456 1054 T N -4.177 110.360 114.554 -0.029 0.000 3.429 1054 T HA 0.143 4.493 4.350 -0.001 0.000 0.212 1054 T C 1.648 176.341 174.700 -0.012 0.000 0.980 1054 T CA -0.302 61.790 62.100 -0.013 0.000 1.201 1054 T CB -0.248 68.614 68.868 -0.009 0.000 1.289 1054 T HN -0.056 nan 8.240 nan 0.000 0.346 1055 L N 1.228 122.445 121.223 -0.009 0.000 2.127 1055 L HA -0.001 4.339 4.340 -0.001 0.000 0.211 1055 L C 2.510 179.388 176.870 0.013 0.000 1.089 1055 L CA 1.643 56.485 54.840 0.003 0.000 0.757 1055 L CB -0.530 41.534 42.059 0.008 0.000 0.899 1055 L HN 0.410 nan 8.230 nan 0.000 0.434 1056 K N -1.949 118.450 120.400 -0.001 0.000 2.379 1056 K HA 0.020 4.340 4.320 -0.001 0.000 0.194 1056 K C 1.826 178.465 176.600 0.064 0.000 1.031 1056 K CA 0.495 56.791 56.287 0.016 0.000 1.037 1056 K CB 0.586 33.067 32.500 -0.032 0.000 0.824 1056 K HN 0.046 nan 8.250 nan 0.000 0.516 1057 S N -0.469 115.264 115.700 0.055 0.000 3.265 1057 S HA 0.004 4.473 4.470 -0.001 0.000 0.259 1057 S C 0.755 175.398 174.600 0.071 0.000 1.089 1057 S CA 0.037 58.302 58.200 0.108 0.000 0.811 1057 S CB 0.284 63.521 63.200 0.062 0.000 0.858 1057 S HN 0.144 nan 8.310 nan 0.000 0.452 1058 D N 1.040 121.446 120.400 0.010 0.000 2.531 1058 D HA 0.163 4.803 4.640 -0.001 0.000 0.263 1058 D C -0.078 176.184 176.300 -0.063 0.000 1.057 1058 D CA 0.150 54.136 54.000 -0.023 0.000 0.909 1058 D CB -0.035 40.777 40.800 0.021 0.000 1.236 1058 D HN 0.267 nan 8.370 nan 0.000 0.494 1059 D N 1.472 121.847 120.400 -0.043 0.000 2.389 1059 D HA -0.107 4.532 4.640 -0.001 0.000 0.278 1059 D C 1.574 177.819 176.300 -0.091 0.000 1.398 1059 D CA -0.090 53.881 54.000 -0.048 0.000 1.090 1059 D CB -0.005 40.778 40.800 -0.027 0.000 1.108 1059 D HN 0.108 nan 8.370 nan 0.000 0.532 1060 I N 3.924 124.425 120.570 -0.114 0.000 2.099 1060 I HA -0.236 3.933 4.170 -0.001 0.000 0.239 1060 I C 1.725 177.783 176.117 -0.099 0.000 1.066 1060 I CA 1.752 62.956 61.300 -0.159 0.000 1.324 1060 I CB -0.138 37.776 38.000 -0.142 0.000 1.037 1060 I HN 0.384 nan 8.210 nan 0.000 0.401 1061 E N -0.007 120.158 120.200 -0.058 0.000 2.268 1061 E HA -0.071 4.278 4.350 -0.001 0.000 0.195 1061 E C 2.145 178.734 176.600 -0.017 0.000 0.995 1061 E CA 0.930 57.311 56.400 -0.031 0.000 0.836 1061 E CB -0.468 29.220 29.700 -0.021 0.000 0.763 1061 E HN 0.703 nan 8.360 nan 0.000 0.491 1062 G N 1.748 110.534 108.800 -0.022 0.000 2.404 1062 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.214 1062 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.214 1062 G C 1.493 176.399 174.900 0.010 0.000 1.189 1062 G CA 0.702 45.798 45.100 -0.005 0.000 0.789 1062 G HN 0.213 nan 8.290 nan 0.000 0.533 1063 R N 0.332 120.831 120.500 -0.001 0.000 2.139 1063 R HA -0.096 4.244 4.340 -0.001 0.000 0.243 1063 R C 2.064 178.411 176.300 0.078 0.000 1.145 1063 R CA 1.508 57.628 56.100 0.034 0.000 0.976 1063 R CB -0.813 29.499 30.300 0.020 0.000 0.866 1063 R HN 0.278 nan 8.270 nan 0.000 0.449 1064 N N 1.450 120.184 118.700 0.057 0.000 2.028 1064 N HA -0.113 4.627 4.740 -0.001 0.000 0.194 1064 N C 1.884 177.459 175.510 0.109 0.000 1.050 1064 N CA 1.988 55.099 53.050 0.102 0.000 0.848 1064 N CB -0.310 38.208 38.487 0.052 0.000 1.038 1064 N HN 0.351 nan 8.380 nan 0.000 0.423 1065 A N 0.809 123.663 122.820 0.056 0.000 2.024 1065 A HA -0.022 4.297 4.320 -0.001 0.000 0.220 1065 A C 2.364 179.978 177.584 0.051 0.000 1.164 1065 A CA 2.004 54.064 52.037 0.039 0.000 0.643 1065 A CB -0.806 18.206 19.000 0.019 0.000 0.806 1065 A HN 0.475 nan 8.150 nan 0.000 0.451 1066 A N -0.845 122.018 122.820 0.072 0.000 1.845 1066 A HA -0.106 4.213 4.320 -0.001 0.000 0.215 1066 A C 2.112 179.777 177.584 0.135 0.000 1.195 1066 A CA 1.737 53.823 52.037 0.081 0.000 0.616 1066 A CB -1.044 18.001 19.000 0.075 0.000 0.832 1066 A HN 0.674 nan 8.150 nan 0.000 0.443 1067 Y N 0.639 120.946 120.300 0.012 0.000 1.993 1067 Y HA -0.295 4.254 4.550 -0.001 0.000 0.267 1067 Y C 2.348 178.252 175.900 0.006 0.000 1.155 1067 Y CA 2.287 60.395 58.100 0.013 0.000 1.105 1067 Y CB -1.142 37.333 38.460 0.025 0.000 0.960 1067 Y HN 0.569 nan 8.280 nan 0.000 0.486 1068 E N -0.316 119.844 120.200 -0.066 0.000 2.136 1068 E HA -0.315 4.034 4.350 -0.001 0.000 0.202 1068 E C 2.244 178.784 176.600 -0.100 0.000 1.019 1068 E CA 1.581 57.876 56.400 -0.175 0.000 0.819 1068 E CB -0.423 29.227 29.700 -0.085 0.000 0.739 1068 E HN 0.572 nan 8.360 nan 0.000 0.458 1069 A N 0.624 123.425 122.820 -0.032 0.000 1.877 1069 A HA -0.187 4.133 4.320 -0.001 0.000 0.216 1069 A C 2.147 179.716 177.584 -0.023 0.000 1.186 1069 A CA 1.661 53.685 52.037 -0.022 0.000 0.620 1069 A CB -0.636 18.363 19.000 -0.002 0.000 0.822 1069 A HN 0.333 nan 8.150 nan 0.000 0.443 1070 I N 0.011 120.580 120.570 -0.001 0.000 2.315 1070 I HA -0.203 3.966 4.170 -0.001 0.000 0.248 1070 I C 2.018 178.122 176.117 -0.022 0.000 1.117 1070 I CA 0.627 61.932 61.300 0.009 0.000 1.404 1070 I CB -0.312 37.724 38.000 0.060 0.000 1.071 1070 I HN 0.226 nan 8.210 nan 0.000 0.419 1071 I N 1.095 121.617 120.570 -0.080 0.000 2.286 1071 I HA -0.279 3.891 4.170 -0.001 0.000 0.248 1071 I C 2.473 178.542 176.117 -0.080 0.000 1.115 1071 I CA 1.661 62.890 61.300 -0.118 0.000 1.392 1071 I CB -1.051 36.794 38.000 -0.258 0.000 1.065 1071 I HN 0.304 nan 8.210 nan 0.000 0.418 1072 K N 0.413 120.768 120.400 -0.074 0.000 2.217 1072 K HA -0.031 4.288 4.320 -0.001 0.000 0.202 1072 K C 1.268 177.847 176.600 -0.036 0.000 1.051 1072 K CA 0.979 57.234 56.287 -0.054 0.000 0.952 1072 K CB 0.069 32.539 32.500 -0.051 0.000 0.736 1072 K HN 0.432 nan 8.250 nan 0.000 0.453 1073 G N 1.334 110.116 108.800 -0.030 0.000 2.132 1073 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.234 1073 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.234 1073 G C -0.057 174.831 174.900 -0.020 0.000 0.989 1073 G CA 0.467 45.554 45.100 -0.021 0.000 0.676 1073 G HN 0.470 nan 8.290 nan 0.000 0.522 1074 E N -0.452 119.735 120.200 -0.022 0.000 3.218 1074 E HA 0.411 4.761 4.350 -0.001 0.000 0.265 1074 E C -0.879 175.711 176.600 -0.017 0.000 1.393 1074 E CA -0.604 55.784 56.400 -0.020 0.000 1.160 1074 E CB 0.498 30.184 29.700 -0.022 0.000 1.272 1074 E HN 0.066 nan 8.360 nan 0.000 0.720 1075 D N 0.941 121.331 120.400 -0.018 0.000 2.425 1075 D HA 0.166 4.806 4.640 -0.001 0.000 0.240 1075 D C -0.783 175.509 176.300 -0.013 0.000 1.080 1075 D CA -0.413 53.576 54.000 -0.019 0.000 0.836 1075 D CB 1.544 42.328 40.800 -0.026 0.000 1.125 1075 D HN 0.337 nan 8.370 nan 0.000 0.525 1076 V N 2.463 122.373 119.914 -0.007 0.000 2.877 1076 V HA 0.027 4.146 4.120 -0.001 0.000 0.294 1076 V C -2.234 173.861 176.094 0.001 0.000 1.280 1076 V CA -0.693 61.609 62.300 0.003 0.000 1.372 1076 V CB -0.251 31.577 31.823 0.008 0.000 0.867 1076 V HN 0.405 nan 8.190 nan 0.000 0.513 1077 P HA 0.249 nan 4.420 nan 0.000 0.282 1077 P C -0.606 176.698 177.300 0.007 0.000 1.286 1077 P CA -0.212 62.890 63.100 0.003 0.000 0.777 1077 P CB 0.334 32.036 31.700 0.004 0.000 1.184 1078 E N 0.808 121.012 120.200 0.006 0.000 2.146 1078 E HA 0.279 4.628 4.350 -0.001 0.000 0.282 1078 E C -2.092 174.512 176.600 0.007 0.000 0.989 1078 E CA -2.053 54.355 56.400 0.013 0.000 0.799 1078 E CB -0.634 29.074 29.700 0.014 0.000 1.088 1078 E HN 0.266 nan 8.360 nan 0.000 0.397 1079 P HA -0.148 nan 4.420 nan 0.000 0.263 1079 P C -0.194 177.097 177.300 -0.014 0.000 1.145 1079 P CA 0.676 63.774 63.100 -0.002 0.000 0.755 1079 P CB 0.395 32.096 31.700 0.000 0.000 0.746 1080 S N 2.172 117.861 115.700 -0.018 0.000 2.687 1080 S HA 0.374 4.843 4.470 -0.001 0.000 0.283 1080 S C -0.013 174.566 174.600 -0.034 0.000 1.170 1080 S CA -0.908 57.277 58.200 -0.025 0.000 1.008 1080 S CB 0.744 63.933 63.200 -0.019 0.000 1.026 1080 S HN 0.139 nan 8.310 nan 0.000 0.541 1081 V N 3.396 123.282 119.914 -0.046 0.000 2.694 1081 V HA 0.187 4.306 4.120 -0.001 0.000 0.306 1081 V C -2.033 174.055 176.094 -0.010 0.000 1.054 1081 V CA -0.795 61.465 62.300 -0.067 0.000 1.161 1081 V CB -0.003 31.761 31.823 -0.097 0.000 0.916 1081 V HN 0.777 nan 8.190 nan 0.000 0.490 1082 P HA 0.156 nan 4.420 nan 0.000 0.276 1082 P C 0.591 177.954 177.300 0.104 0.000 1.230 1082 P CA -0.250 62.883 63.100 0.056 0.000 0.776 1082 P CB 0.667 32.417 31.700 0.083 0.000 0.888 1083 E N 1.448 121.678 120.200 0.050 0.000 2.160 1083 E HA -0.164 4.186 4.350 -0.001 0.000 0.195 1083 E C 1.837 178.492 176.600 0.093 0.000 0.991 1083 E CA 1.703 58.132 56.400 0.048 0.000 0.810 1083 E CB -0.690 29.000 29.700 -0.017 0.000 0.742 1083 E HN 0.528 nan 8.360 nan 0.000 0.466 1084 S N 0.135 115.893 115.700 0.096 0.000 2.383 1084 S HA -0.177 4.292 4.470 -0.001 0.000 0.229 1084 S C 2.033 176.715 174.600 0.136 0.000 1.030 1084 S CA 0.924 59.179 58.200 0.091 0.000 1.002 1084 S CB -0.600 62.643 63.200 0.073 0.000 0.829 1084 S HN 0.210 nan 8.310 nan 0.000 0.467 1085 F N 2.946 122.928 119.950 0.052 0.000 2.084 1085 F HA 0.108 4.635 4.527 -0.000 0.000 0.296 1085 F C 2.643 178.525 175.800 0.137 0.000 1.111 1085 F CA 1.284 59.330 58.000 0.076 0.000 1.224 1085 F CB -0.345 38.696 39.000 0.068 0.000 0.991 1085 F HN 0.078 nan 8.300 nan 0.000 0.471 1086 R N -0.600 120.204 120.500 0.508 0.000 2.091 1086 R HA -0.160 4.180 4.340 -0.001 0.000 0.238 1086 R C 2.242 178.697 176.300 0.258 0.000 1.136 1086 R CA 1.548 57.957 56.100 0.514 0.000 0.959 1086 R CB -1.192 29.246 30.300 0.231 0.000 0.856 1086 R HN 0.292 nan 8.270 nan 0.000 0.437 1087 V N 1.636 121.624 119.914 0.124 0.000 2.490 1087 V HA -0.186 3.934 4.120 -0.001 0.000 0.250 1087 V C 2.094 178.227 176.094 0.065 0.000 1.061 1087 V CA 1.408 63.741 62.300 0.054 0.000 1.064 1087 V CB -0.232 31.605 31.823 0.024 0.000 0.670 1087 V HN 0.318 nan 8.190 nan 0.000 0.461 1088 L N -0.806 120.452 121.223 0.059 0.000 2.005 1088 L HA -0.109 4.231 4.340 -0.001 0.000 0.207 1088 L C 2.464 179.348 176.870 0.022 0.000 1.072 1088 L CA 2.041 56.873 54.840 -0.012 0.000 0.744 1088 L CB -0.260 41.714 42.059 -0.143 0.000 0.895 1088 L HN 0.222 nan 8.230 nan 0.000 0.433 1089 V N 0.376 120.346 119.914 0.094 0.000 2.278 1089 V HA -0.365 3.754 4.120 -0.001 0.000 0.251 1089 V C 2.699 178.895 176.094 0.170 0.000 1.062 1089 V CA 1.955 64.342 62.300 0.146 0.000 1.038 1089 V CB -0.828 31.164 31.823 0.282 0.000 0.646 1089 V HN 0.430 nan 8.190 nan 0.000 0.447 1090 K N -0.161 120.384 120.400 0.241 0.000 2.097 1090 K HA -0.138 4.182 4.320 -0.001 0.000 0.205 1090 K C 2.126 178.775 176.600 0.083 0.000 1.050 1090 K CA 1.322 57.711 56.287 0.170 0.000 0.938 1090 K CB -0.368 32.207 32.500 0.126 0.000 0.718 1090 K HN 0.615 nan 8.250 nan 0.000 0.442 1091 E N 0.752 120.986 120.200 0.056 0.000 2.085 1091 E HA -0.160 4.189 4.350 -0.001 0.000 0.194 1091 E C 2.094 178.707 176.600 0.021 0.000 0.994 1091 E CA 0.807 57.222 56.400 0.026 0.000 0.801 1091 E CB -0.086 29.620 29.700 0.010 0.000 0.743 1091 E HN 0.169 nan 8.360 nan 0.000 0.453 1092 L N 0.757 121.992 121.223 0.021 0.000 2.217 1092 L HA -0.173 4.167 4.340 -0.001 0.000 0.211 1092 L C 2.403 179.287 176.870 0.023 0.000 1.107 1092 L CA 0.833 55.679 54.840 0.010 0.000 0.783 1092 L CB -0.030 42.026 42.059 -0.006 0.000 0.919 1092 L HN 0.182 nan 8.230 nan 0.000 0.442 1093 Q N -0.787 119.041 119.800 0.045 0.000 2.172 1093 Q HA -0.128 4.211 4.340 -0.001 0.000 0.200 1093 Q C 2.311 178.333 176.000 0.037 0.000 0.964 1093 Q CA 1.172 57.004 55.803 0.048 0.000 0.855 1093 Q CB -0.066 28.720 28.738 0.079 0.000 0.918 1093 Q HN 0.552 nan 8.270 nan 0.000 0.444 1094 A N 1.004 123.844 122.820 0.034 0.000 1.986 1094 A HA -0.120 4.200 4.320 -0.001 0.000 0.220 1094 A C 1.198 178.792 177.584 0.017 0.000 1.171 1094 A CA 0.904 52.955 52.037 0.024 0.000 0.640 1094 A CB -0.431 18.580 19.000 0.019 0.000 0.811 1094 A HN 0.216 nan 8.150 nan 0.000 0.451 1095 L N -1.943 119.289 121.223 0.015 0.000 2.375 1095 L HA 0.434 4.773 4.340 -0.001 0.000 0.271 1095 L C 1.796 178.672 176.870 0.011 0.000 1.107 1095 L CA -0.129 54.717 54.840 0.010 0.000 0.806 1095 L CB 0.968 43.031 42.059 0.006 0.000 1.146 1095 L HN 0.257 nan 8.230 nan 0.000 0.447 1096 A N 3.387 126.212 122.820 0.009 0.000 1.954 1096 A HA -0.155 4.165 4.320 -0.001 0.000 0.222 1096 A C 1.032 178.622 177.584 0.010 0.000 1.199 1096 A CA 1.201 53.243 52.037 0.009 0.000 0.657 1096 A CB -0.864 18.140 19.000 0.007 0.000 0.823 1096 A HN 0.500 nan 8.150 nan 0.000 0.463 1097 L N -0.017 121.210 121.223 0.007 0.000 2.605 1097 L HA 0.021 4.360 4.340 -0.001 0.000 0.296 1097 L C -0.006 176.870 176.870 0.009 0.000 1.255 1097 L CA 0.896 55.739 54.840 0.005 0.000 0.879 1097 L CB -0.881 41.179 42.059 0.001 0.000 1.124 1097 L HN 0.490 nan 8.230 nan 0.000 0.507 1098 D N 1.986 122.389 120.400 0.006 0.000 2.462 1098 D HA 0.370 5.009 4.640 -0.001 0.000 0.245 1098 D C -0.899 175.402 176.300 0.001 0.000 1.122 1098 D CA -0.341 53.663 54.000 0.006 0.000 0.864 1098 D CB 1.232 42.034 40.800 0.004 0.000 1.098 1098 D HN 0.172 nan 8.370 nan 0.000 0.541 1099 V N 4.259 124.174 119.914 0.002 0.000 2.318 1099 V HA 0.353 4.473 4.120 -0.001 0.000 0.271 1099 V C -0.069 176.019 176.094 -0.011 0.000 1.030 1099 V CA -0.496 61.806 62.300 0.003 0.000 0.844 1099 V CB 0.959 32.788 31.823 0.009 0.000 1.015 1099 V HN 0.521 nan 8.190 nan 0.000 0.460 1100 Q N 3.805 123.598 119.800 -0.012 0.000 2.316 1100 Q HA 0.539 4.878 4.340 -0.001 0.000 0.264 1100 Q C 0.047 176.035 176.000 -0.019 0.000 0.987 1100 Q CA -0.406 55.376 55.803 -0.035 0.000 0.852 1100 Q CB 1.847 30.565 28.738 -0.033 0.000 1.287 1100 Q HN 0.870 nan 8.270 nan 0.000 0.448 1101 T N 0.982 115.510 114.554 -0.044 0.000 2.904 1101 T HA 0.665 5.014 4.350 -0.001 0.000 0.290 1101 T C -0.267 174.411 174.700 -0.037 0.000 1.018 1101 T CA -0.540 61.541 62.100 -0.033 0.000 1.075 1101 T CB 0.632 69.451 68.868 -0.081 0.000 0.986 1101 T HN 0.415 nan 8.240 nan 0.000 0.523 1102 L N 1.162 122.370 121.223 -0.025 0.000 2.327 1102 L HA 0.638 4.977 4.340 -0.001 0.000 0.258 1102 L C 0.053 176.909 176.870 -0.024 0.000 1.024 1102 L CA -0.740 54.086 54.840 -0.023 0.000 0.825 1102 L CB 2.213 44.264 42.059 -0.012 0.000 1.386 1102 L HN 0.811 nan 8.230 nan 0.000 0.417 1103 D N -1.001 119.386 120.400 -0.021 0.000 2.530 1103 D HA 0.192 4.832 4.640 -0.001 0.000 0.282 1103 D C 0.853 177.145 176.300 -0.013 0.000 1.204 1103 D CA -0.207 53.781 54.000 -0.020 0.000 1.093 1103 D CB 0.872 41.660 40.800 -0.019 0.000 1.154 1103 D HN 0.438 nan 8.370 nan 0.000 0.593 1104 E N -0.005 120.187 120.200 -0.012 0.000 2.013 1104 E HA -0.148 4.201 4.350 -0.001 0.000 0.202 1104 E C 0.238 176.834 176.600 -0.007 0.000 1.018 1104 E CA 1.442 57.837 56.400 -0.008 0.000 0.834 1104 E CB -0.818 28.877 29.700 -0.008 0.000 0.770 1104 E HN 0.402 nan 8.360 nan 0.000 0.459 1105 K N 2.399 122.795 120.400 -0.007 0.000 2.249 1105 K HA 0.168 4.487 4.320 -0.001 0.000 0.280 1105 K C -0.244 176.352 176.600 -0.007 0.000 1.033 1105 K CA -0.215 56.068 56.287 -0.006 0.000 0.946 1105 K CB 0.430 32.927 32.500 -0.005 0.000 1.005 1105 K HN -0.184 nan 8.250 nan 0.000 0.469 1106 D N 3.324 123.720 120.400 -0.006 0.000 2.422 1106 D HA -0.054 4.585 4.640 -0.001 0.000 0.283 1106 D C -0.483 175.812 176.300 -0.009 0.000 1.428 1106 D CA 0.782 54.778 54.000 -0.007 0.000 1.117 1106 D CB -0.249 40.548 40.800 -0.005 0.000 1.120 1106 D HN 0.483 nan 8.370 nan 0.000 0.543 1107 N N 1.841 120.534 118.700 -0.012 0.000 2.732 1107 N HA 0.329 5.069 4.740 -0.001 0.000 0.259 1107 N C -2.778 172.720 175.510 -0.020 0.000 1.402 1107 N CA -1.388 51.654 53.050 -0.014 0.000 0.829 1107 N CB 2.790 41.269 38.487 -0.013 0.000 1.495 1107 N HN -0.068 nan 8.380 nan 0.000 0.511 1108 P HA 0.251 nan 4.420 nan 0.000 0.273 1108 P C -0.850 176.429 177.300 -0.036 0.000 1.250 1108 P CA -0.146 62.935 63.100 -0.032 0.000 0.793 1108 P CB 0.811 32.493 31.700 -0.031 0.000 1.011 1109 V N -0.066 119.818 119.914 -0.050 0.000 3.178 1109 V HA 0.373 4.493 4.120 -0.001 0.000 0.302 1109 V C -1.174 174.874 176.094 -0.078 0.000 1.262 1109 V CA -0.501 61.765 62.300 -0.057 0.000 1.030 1109 V CB 2.633 34.420 31.823 -0.061 0.000 1.074 1109 V HN 0.436 nan 8.190 nan 0.000 0.438 1110 D N 1.299 121.655 120.400 -0.073 0.000 2.549 1110 D HA 0.488 5.128 4.640 -0.001 0.000 0.251 1110 D C 0.814 177.061 176.300 -0.088 0.000 1.153 1110 D CA -0.328 53.620 54.000 -0.087 0.000 0.861 1110 D CB 1.936 42.712 40.800 -0.040 0.000 1.207 1110 D HN 0.543 nan 8.370 nan 0.000 0.543 1111 I N 0.122 120.595 120.570 -0.162 0.000 2.162 1111 I HA 0.079 4.249 4.170 -0.001 0.000 0.238 1111 I C 1.001 177.197 176.117 0.131 0.000 1.076 1111 I CA 0.583 61.813 61.300 -0.118 0.000 1.353 1111 I CB -0.399 37.441 38.000 -0.266 0.000 1.063 1111 I HN 0.132 nan 8.210 nan 0.000 0.408 1112 F N 2.767 122.705 119.950 -0.020 0.000 2.490 1112 F HA 0.091 4.617 4.527 -0.001 0.000 0.357 1112 F C 1.602 177.393 175.800 -0.015 0.000 1.166 1112 F CA -0.771 57.223 58.000 -0.010 0.000 1.116 1112 F CB 0.193 39.197 39.000 0.006 0.000 1.171 1112 F HN 0.114 nan 8.300 nan 0.000 0.576 1113 E N 2.913 123.211 120.200 0.163 0.000 2.136 1113 E HA -0.205 4.144 4.350 -0.001 0.000 0.202 1113 E C 1.842 178.485 176.600 0.070 0.000 1.019 1113 E CA 1.625 58.072 56.400 0.079 0.000 0.819 1113 E CB -0.053 29.674 29.700 0.045 0.000 0.739 1113 E HN 0.890 nan 8.360 nan 0.000 0.458 1114 G N -2.026 106.825 108.800 0.084 0.000 4.260 1114 G HA2 0.029 3.988 3.960 -0.001 0.000 0.204 1114 G HA3 0.029 3.988 3.960 -0.001 0.000 0.204 1114 G C 0.514 175.452 174.900 0.063 0.000 0.952 1114 G CA -0.133 45.005 45.100 0.063 0.000 0.815 1114 G HN 0.066 nan 8.290 nan 0.000 0.465 1115 L N 1.128 122.399 121.223 0.079 0.000 2.509 1115 L HA 0.434 4.773 4.340 -0.001 0.000 0.222 1115 L C 2.611 179.531 176.870 0.082 0.000 1.123 1115 L CA 1.534 56.405 54.840 0.052 0.000 0.856 1115 L CB -0.229 41.833 42.059 0.004 0.000 0.985 1115 L HN 0.246 nan 8.230 nan 0.000 0.456 1116 A N -0.848 122.062 122.820 0.150 0.000 1.943 1116 A HA 0.051 4.370 4.320 -0.001 0.000 0.213 1116 A C 1.519 179.159 177.584 0.094 0.000 1.181 1116 A CA 0.621 52.760 52.037 0.170 0.000 0.653 1116 A CB -0.503 18.656 19.000 0.264 0.000 0.833 1116 A HN 0.381 nan 8.150 nan 0.000 0.451 1117 S N 0.964 116.706 115.700 0.069 0.000 2.558 1117 S HA 0.181 4.650 4.470 -0.001 0.000 0.287 1117 S C 0.025 174.648 174.600 0.037 0.000 1.321 1117 S CA 0.055 58.281 58.200 0.043 0.000 1.048 1117 S CB 0.049 63.268 63.200 0.032 0.000 0.844 1117 S HN 0.533 nan 8.310 nan 0.000 0.512 1118 K N 2.542 122.959 120.400 0.029 0.000 2.110 1118 K HA 0.661 4.980 4.320 -0.001 0.000 0.263 1118 K C 0.057 176.669 176.600 0.019 0.000 0.975 1118 K CA -1.002 55.300 56.287 0.025 0.000 0.895 1118 K CB 0.795 33.308 32.500 0.022 0.000 1.060 1118 K HN 0.813 nan 8.250 nan 0.000 0.448 1119 R N 0.000 120.510 120.500 0.017 0.000 2.786 1119 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 1119 R CA 0.000 56.108 56.100 0.013 0.000 0.921 1119 R CB 0.000 30.307 30.300 0.011 0.000 0.687 1119 R HN 0.000 nan 8.270 nan 0.000 0.535