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 3agq_1_A DATA FIRST_RESID 5 DATA SEQUENCE TASLVKELRE RTGAGMMDCK KALTEANGDI ELAIENMRKS GAIKAAKKAG DATA SEQUENCE NVAADGVIKT KIDGNYGIIL EVNCQTDFVA KDAGFQAFAD KVLDAAVAGK DATA SEQUENCE ITDVEVLKAQ FEEERVALVA KIGENINIRR VAALEGDVLG SYQHGARIGV DATA SEQUENCE LVAAKGADEE LVKHIAMHVA ASKPEFIKPE DVSAEVVEKE YQVQLDIAMQ DATA SEQUENCE SGKPKEIAEK MVEGRMKKFT GEVSLTGQPF VMEPSKTVGQ LLKEHNAEVT DATA SEQUENCE GFIRFEVGEG IEKVETDFAA EVAAMSKQSH MSXXXFERTK PHVNVGTIGH DATA SEQUENCE VDHGKTTLTA AITTVLAKTY GGXXXXXXXX XXXXXXXXXX XXXXTSHVEY DATA SEQUENCE DTPTRHYAHV DCPGHADYVK NMITGAAQMD GAILVVAATD GPMPQTREHI DATA SEQUENCE LLGRQVGVPY IIVFLNKCDM VDDEELLELV EMEVRELLSQ YDFPGDDTPI DATA SEQUENCE VRGSALKALE GDAEWEAKIL ELAGFLDSYI PEPERAIDKP FLLPIEDVFS DATA SEQUENCE ISGRGTVVTG RVERGIIKVG EEVEIVGIKE TQKSTCTGVE MFRKLLDEGR DATA SEQUENCE AGENVGVLLR GIKREEIERG QVLAKPGTIK PHTKFESEVY ILSKDEGGRH DATA SEQUENCE TPFFKGYRPQ FYFRTTDVTG TIELPEGVEM VMPGDNIKMV VTLIHPIAMD DATA SEQUENCE DGLRFAIREG GRTVGAGVVA KVLSGAXXXX XXXXXXXXXX XXXXXSSRNS DATA SEQUENCE LSAQLRRAAN TRIEVEGNLA LSIANDLLLA YGQSPFNSEA ECISFSPRFD DATA SEQUENCE GTPDDFRINY LKAEIMSKYD DFSLGIDTEA VAWEKFLAAE AECALTNARL DATA SEQUENCE YRPDYSEDFN FSLGESCIHM ARRKIAKLIG DVPSVEGMLR HCRFSGGATT DATA SEQUENCE TNNRSYGHPS FKFALPQACT PRALKYVLAL RASTHFDIRI SDISPFNKAV DATA SEQUENCE TVPKNSKTDR CIAIEPGWNM FFQLGIGGIL RDRLRCWGID LNDQTINQRR DATA SEQUENCE AHEGSVTNNL ATVDLSAASD SISLALCELL LPPGWFEVLM DLRSPKGRLP DATA SEQUENCE DGSVVTYEKI SSMGNGYTFE LESLIFASLA RSVCEILDLD SSEVTVYGDD DATA SEQUENCE IILPSCAVPA LREVFKYVGF TTNTKKTFSE GPFRESCGKH YYSGVDVTPF DATA SEQUENCE YIRHRIVSPA DLILVLNNLY RWATIDGVWD PRAHSVYLKY RKLLPKQLQR DATA SEQUENCE NTIPDGYGDG ALVGSVLINP FAKNRGWIRY VPVITDHTRD RERAELGSYL DATA SEQUENCE YDLFSRCLSE SNXXXXXXXX XXXXXXXXXA IDQLICRSNP TKISRSTGKF DATA SEQUENCE DIQYIACSSR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.700 174.700 0.000 0.000 1.109 5 T CA 0.000 62.100 62.100 0.001 0.000 1.349 5 T CB 0.000 68.869 68.868 0.001 0.000 0.612 6 A N 1.870 124.690 122.820 0.001 0.000 1.878 6 A HA 0.224 4.549 4.320 0.009 0.000 0.213 6 A C 2.407 179.992 177.584 0.002 0.000 1.192 6 A CA 1.839 53.876 52.037 0.001 0.000 0.619 6 A CB -1.042 17.958 19.000 0.001 0.000 0.837 6 A HN 1.018 nan 8.150 nan 0.000 0.446 7 S N -1.419 114.283 115.700 0.002 0.000 2.520 7 S HA -0.071 4.404 4.470 0.009 0.000 0.249 7 S C 1.211 175.813 174.600 0.004 0.000 0.983 7 S CA 1.316 59.519 58.200 0.003 0.000 0.958 7 S CB -0.303 62.899 63.200 0.004 0.000 0.750 7 S HN 0.337 nan 8.310 nan 0.000 0.527 8 L N 0.369 121.594 121.223 0.003 0.000 2.966 8 L HA 0.356 4.701 4.340 0.009 0.000 0.262 8 L C 1.388 178.260 176.870 0.003 0.000 1.165 8 L CA 0.236 55.078 54.840 0.003 0.000 0.978 8 L CB 0.967 43.028 42.059 0.003 0.000 1.337 8 L HN 0.286 nan 8.230 nan 0.000 0.563 9 V N -2.742 117.173 119.914 0.002 0.000 3.623 9 V HA 0.029 4.155 4.120 0.009 0.000 0.271 9 V C 1.877 177.972 176.094 0.003 0.000 1.248 9 V CA 1.108 63.409 62.300 0.001 0.000 1.156 9 V CB -0.627 31.195 31.823 -0.001 0.000 0.870 9 V HN 0.507 nan 8.190 nan 0.000 0.453 10 K N 0.665 121.067 120.400 0.004 0.000 2.308 10 K HA 0.147 4.472 4.320 0.009 0.000 0.197 10 K C 1.866 178.471 176.600 0.008 0.000 1.049 10 K CA 1.263 57.554 56.287 0.006 0.000 0.991 10 K CB -0.331 32.173 32.500 0.007 0.000 0.836 10 K HN 0.447 nan 8.250 nan 0.000 0.500 11 E N 0.897 121.101 120.200 0.007 0.000 2.274 11 E HA -0.093 4.262 4.350 0.009 0.000 0.194 11 E C 1.597 178.202 176.600 0.009 0.000 0.996 11 E CA 0.901 57.306 56.400 0.008 0.000 0.840 11 E CB 0.087 29.792 29.700 0.007 0.000 0.772 11 E HN 0.473 nan 8.360 nan 0.000 0.491 12 L N -0.799 120.428 121.223 0.007 0.000 2.463 12 L HA 0.195 4.540 4.340 0.009 0.000 0.219 12 L C 2.187 179.062 176.870 0.008 0.000 1.088 12 L CA 0.594 55.439 54.840 0.007 0.000 0.849 12 L CB 0.076 42.138 42.059 0.005 0.000 1.012 12 L HN -0.141 nan 8.230 nan 0.000 0.468 13 R N 0.722 121.227 120.500 0.008 0.000 2.127 13 R HA -0.031 4.314 4.340 0.009 0.000 0.217 13 R C 1.554 177.862 176.300 0.013 0.000 1.074 13 R CA 1.361 57.466 56.100 0.009 0.000 0.991 13 R CB 0.001 30.305 30.300 0.007 0.000 0.895 13 R HN 0.626 nan 8.270 nan 0.000 0.450 14 E N 0.039 120.248 120.200 0.014 0.000 2.437 14 E HA -0.015 4.341 4.350 0.009 0.000 0.189 14 E C 1.444 178.054 176.600 0.018 0.000 1.054 14 E CA -0.013 56.397 56.400 0.017 0.000 0.874 14 E CB 0.252 29.963 29.700 0.017 0.000 1.011 14 E HN 0.101 nan 8.360 nan 0.000 0.474 15 R N -1.356 119.154 120.500 0.016 0.000 2.419 15 R HA 0.132 4.477 4.340 0.009 0.000 0.235 15 R C 0.951 177.262 176.300 0.018 0.000 0.899 15 R CA 0.617 56.727 56.100 0.017 0.000 1.048 15 R CB 0.561 30.870 30.300 0.014 0.000 1.182 15 R HN 0.052 nan 8.270 nan 0.000 0.544 16 T N -1.676 112.888 114.554 0.017 0.000 3.252 16 T HA 0.264 4.619 4.350 0.009 0.000 0.233 16 T C 1.071 175.783 174.700 0.020 0.000 0.975 16 T CA 0.848 62.958 62.100 0.017 0.000 1.318 16 T CB 0.440 69.316 68.868 0.013 0.000 1.014 16 T HN 0.361 nan 8.240 nan 0.000 0.418 17 G N 1.131 109.942 108.800 0.019 0.000 2.229 17 G HA2 0.061 4.027 3.960 0.009 0.000 0.189 17 G HA3 0.061 4.027 3.960 0.009 0.000 0.189 17 G C 0.319 175.229 174.900 0.017 0.000 1.000 17 G CA 0.118 45.230 45.100 0.021 0.000 0.663 17 G HN 0.832 nan 8.290 nan 0.000 0.493 18 A N 0.503 123.330 122.820 0.012 0.000 2.292 18 A HA 0.762 5.087 4.320 0.009 0.000 0.265 18 A C 1.395 178.980 177.584 0.003 0.000 1.133 18 A CA 0.878 52.919 52.037 0.007 0.000 0.807 18 A CB -0.232 18.770 19.000 0.005 0.000 1.102 18 A HN 1.748 nan 8.150 nan 0.000 0.502 19 G N -1.982 106.814 108.800 -0.005 0.000 2.667 19 G HA2 0.351 4.317 3.960 0.009 0.000 0.250 19 G HA3 0.351 4.317 3.960 0.009 0.000 0.250 19 G C 0.480 175.370 174.900 -0.016 0.000 1.212 19 G CA 0.260 45.350 45.100 -0.016 0.000 0.874 19 G HN 0.671 nan 8.290 nan 0.000 0.561 20 M N 0.135 119.720 119.600 -0.025 0.000 2.394 20 M HA 0.246 4.732 4.480 0.009 0.000 0.266 20 M C 1.870 178.154 176.300 -0.025 0.000 1.098 20 M CA 1.058 56.345 55.300 -0.022 0.000 1.149 20 M CB 0.100 32.686 32.600 -0.023 0.000 1.369 20 M HN 0.340 nan 8.290 nan 0.000 0.450 21 M N -0.613 118.965 119.600 -0.036 0.000 2.431 21 M HA 0.176 4.662 4.480 0.009 0.000 0.237 21 M C 0.067 176.350 176.300 -0.030 0.000 1.130 21 M CA 0.505 55.784 55.300 -0.035 0.000 1.002 21 M CB -0.662 31.909 32.600 -0.048 0.000 1.524 21 M HN 0.059 nan 8.290 nan 0.000 0.482 22 D N -1.635 118.749 120.400 -0.026 0.000 2.398 22 D HA 0.114 4.759 4.640 0.009 0.000 0.210 22 D C 1.523 177.816 176.300 -0.012 0.000 1.094 22 D CA 0.279 54.268 54.000 -0.019 0.000 0.839 22 D CB 0.457 41.247 40.800 -0.018 0.000 0.963 22 D HN 0.226 nan 8.370 nan 0.000 0.506 23 C N -0.042 119.251 119.300 -0.012 0.000 2.609 23 C HA 0.133 4.598 4.460 0.009 0.000 0.305 23 C C 2.264 177.250 174.990 -0.007 0.000 1.319 23 C CA 0.149 59.163 59.018 -0.007 0.000 1.793 23 C CB 0.056 27.794 27.740 -0.004 0.000 2.260 23 C HN 0.184 nan 8.230 nan 0.000 0.535 24 K N 2.054 122.448 120.400 -0.010 0.000 2.361 24 K HA -0.010 4.316 4.320 0.009 0.000 0.196 24 K C 1.822 178.417 176.600 -0.009 0.000 1.039 24 K CA 1.250 57.532 56.287 -0.008 0.000 1.001 24 K CB -0.088 32.406 32.500 -0.010 0.000 0.795 24 K HN 0.564 nan 8.250 nan 0.000 0.495 25 K N -1.062 119.332 120.400 -0.011 0.000 2.308 25 K HA 0.226 4.552 4.320 0.009 0.000 0.197 25 K C 1.599 178.194 176.600 -0.009 0.000 1.049 25 K CA 0.736 57.017 56.287 -0.011 0.000 0.991 25 K CB 0.156 32.647 32.500 -0.015 0.000 0.836 25 K HN 0.050 nan 8.250 nan 0.000 0.500 26 A N 0.639 123.455 122.820 -0.007 0.000 2.218 26 A HA 0.170 4.496 4.320 0.009 0.000 0.209 26 A C 1.748 179.330 177.584 -0.003 0.000 1.168 26 A CA 0.177 52.211 52.037 -0.005 0.000 0.804 26 A CB -0.171 18.826 19.000 -0.004 0.000 0.834 26 A HN 0.309 nan 8.150 nan 0.000 0.482 27 L N -1.453 119.768 121.223 -0.004 0.000 2.354 27 L HA 0.098 4.443 4.340 0.009 0.000 0.212 27 L C 2.325 179.193 176.870 -0.002 0.000 1.091 27 L CA 2.064 56.903 54.840 -0.002 0.000 0.828 27 L CB -0.266 41.792 42.059 -0.002 0.000 0.973 27 L HN 0.308 nan 8.230 nan 0.000 0.461 28 T N -1.944 112.608 114.554 -0.003 0.000 3.085 28 T HA -0.077 4.279 4.350 0.009 0.000 0.263 28 T C 1.550 176.248 174.700 -0.003 0.000 1.127 28 T CA 0.996 63.094 62.100 -0.003 0.000 1.103 28 T CB 0.010 68.876 68.868 -0.004 0.000 0.921 28 T HN 0.207 nan 8.240 nan 0.000 0.510 29 E N 0.698 120.897 120.200 -0.003 0.000 2.250 29 E HA 0.371 4.726 4.350 0.009 0.000 0.192 29 E C 1.791 178.390 176.600 -0.001 0.000 0.986 29 E CA 0.595 56.993 56.400 -0.002 0.000 0.849 29 E CB -0.134 29.564 29.700 -0.003 0.000 0.797 29 E HN 0.474 nan 8.360 nan 0.000 0.482 30 A N 0.518 123.338 122.820 -0.001 0.000 2.370 30 A HA 0.111 4.436 4.320 0.009 0.000 0.238 30 A C 0.352 177.936 177.584 -0.000 0.000 1.289 30 A CA 0.144 52.181 52.037 -0.000 0.000 0.885 30 A CB -0.396 18.604 19.000 0.000 0.000 0.961 30 A HN 0.174 nan 8.150 nan 0.000 0.499 31 N N -1.277 117.423 118.700 -0.001 0.000 2.889 31 N HA -0.235 4.510 4.740 0.009 0.000 0.234 31 N C 0.815 176.325 175.510 -0.000 0.000 0.915 31 N CA 2.190 55.240 53.050 -0.000 0.000 1.025 31 N CB -1.289 37.198 38.487 -0.000 0.000 1.073 31 N HN 1.476 nan 8.380 nan 0.000 0.613 32 G N 0.024 108.824 108.800 0.000 0.000 2.325 32 G HA2 -0.025 3.940 3.960 0.009 0.000 0.214 32 G HA3 -0.025 3.940 3.960 0.009 0.000 0.214 32 G C -1.317 173.583 174.900 0.001 0.000 1.087 32 G CA 0.021 45.121 45.100 0.000 0.000 0.811 32 G HN 0.388 nan 8.290 nan 0.000 0.486 33 D N 0.700 121.100 120.400 0.001 0.000 2.375 33 D HA 0.571 5.216 4.640 0.009 0.000 0.247 33 D C 1.968 178.270 176.300 0.002 0.000 1.061 33 D CA -0.922 53.079 54.000 0.002 0.000 0.834 33 D CB 0.994 41.795 40.800 0.002 0.000 1.247 33 D HN 0.049 nan 8.370 nan 0.000 0.489 34 I N 1.782 122.354 120.570 0.003 0.000 2.141 34 I HA -0.102 4.073 4.170 0.009 0.000 0.236 34 I C 1.247 177.366 176.117 0.004 0.000 1.071 34 I CA 1.108 62.410 61.300 0.004 0.000 1.345 34 I CB -1.253 36.750 38.000 0.004 0.000 1.066 34 I HN 0.356 nan 8.210 nan 0.000 0.406 35 E N 1.371 121.574 120.200 0.004 0.000 2.347 35 E HA 0.003 4.359 4.350 0.009 0.000 0.196 35 E C 2.248 178.850 176.600 0.004 0.000 1.008 35 E CA 0.366 56.768 56.400 0.005 0.000 0.852 35 E CB -0.210 29.492 29.700 0.004 0.000 0.783 35 E HN 0.459 nan 8.360 nan 0.000 0.505 36 L N 0.151 121.376 121.223 0.003 0.000 2.007 36 L HA -0.075 4.270 4.340 0.009 0.000 0.205 36 L C 2.220 179.091 176.870 0.003 0.000 1.073 36 L CA 1.190 56.031 54.840 0.003 0.000 0.744 36 L CB -0.311 41.749 42.059 0.002 0.000 0.898 36 L HN 0.236 nan 8.230 nan 0.000 0.435 37 A N 0.408 123.230 122.820 0.002 0.000 1.978 37 A HA -0.238 4.088 4.320 0.009 0.000 0.220 37 A C 2.028 179.614 177.584 0.003 0.000 1.170 37 A CA 1.965 54.003 52.037 0.002 0.000 0.636 37 A CB -0.813 18.188 19.000 0.002 0.000 0.810 37 A HN 0.628 nan 8.150 nan 0.000 0.448 38 I N -2.901 117.671 120.570 0.004 0.000 2.315 38 I HA -0.074 4.101 4.170 0.009 0.000 0.248 38 I C 1.865 177.986 176.117 0.006 0.000 1.117 38 I CA 1.994 63.298 61.300 0.006 0.000 1.404 38 I CB -0.500 37.505 38.000 0.007 0.000 1.071 38 I HN 0.126 nan 8.210 nan 0.000 0.419 39 E N 1.487 121.690 120.200 0.006 0.000 2.158 39 E HA -0.117 4.238 4.350 0.009 0.000 0.191 39 E C 1.877 178.480 176.600 0.005 0.000 0.982 39 E CA 1.110 57.513 56.400 0.006 0.000 0.823 39 E CB -0.216 29.487 29.700 0.005 0.000 0.766 39 E HN 0.750 nan 8.360 nan 0.000 0.468 40 N N 0.037 118.739 118.700 0.004 0.000 2.142 40 N HA -0.106 4.639 4.740 0.009 0.000 0.186 40 N C 2.022 177.533 175.510 0.003 0.000 1.023 40 N CA 1.156 54.207 53.050 0.003 0.000 0.852 40 N CB -0.108 38.380 38.487 0.002 0.000 0.998 40 N HN 0.104 nan 8.380 nan 0.000 0.424 41 M N 0.563 120.165 119.600 0.003 0.000 2.229 41 M HA -0.097 4.388 4.480 0.009 0.000 0.264 41 M C 2.314 178.617 176.300 0.006 0.000 1.063 41 M CA 0.982 56.284 55.300 0.003 0.000 1.114 41 M CB -0.200 32.402 32.600 0.004 0.000 1.387 41 M HN 0.177 nan 8.290 nan 0.000 0.420 42 R N 1.797 122.301 120.500 0.007 0.000 2.127 42 R HA -0.218 4.127 4.340 0.009 0.000 0.228 42 R C 2.161 178.467 176.300 0.009 0.000 1.125 42 R CA 2.491 58.597 56.100 0.009 0.000 0.904 42 R CB -0.283 30.023 30.300 0.010 0.000 0.831 42 R HN 0.400 nan 8.270 nan 0.000 0.431 43 K N 0.142 120.547 120.400 0.008 0.000 2.097 43 K HA -0.057 4.268 4.320 0.009 0.000 0.206 43 K C 1.786 178.390 176.600 0.007 0.000 1.049 43 K CA 1.692 57.984 56.287 0.008 0.000 0.933 43 K CB -0.243 32.261 32.500 0.006 0.000 0.717 43 K HN 0.261 nan 8.250 nan 0.000 0.442 44 S N 0.377 116.080 115.700 0.005 0.000 2.660 44 S HA 0.043 4.518 4.470 0.009 0.000 0.228 44 S C 1.645 176.248 174.600 0.004 0.000 0.966 44 S CA 0.243 58.446 58.200 0.004 0.000 0.940 44 S CB -0.009 63.192 63.200 0.002 0.000 0.773 44 S HN 0.493 nan 8.310 nan 0.000 0.535 45 G N -0.058 108.745 108.800 0.006 0.000 3.020 45 G HA2 0.489 4.454 3.960 0.009 0.000 0.217 45 G HA3 0.489 4.454 3.960 0.009 0.000 0.217 45 G C 1.097 176.002 174.900 0.008 0.000 1.144 45 G CA 0.200 45.304 45.100 0.006 0.000 0.760 45 G HN 0.626 nan 8.290 nan 0.000 0.548 46 A N 0.431 123.256 122.820 0.009 0.000 2.195 46 A HA 0.369 4.695 4.320 0.009 0.000 0.210 46 A C 1.952 179.542 177.584 0.010 0.000 1.165 46 A CA 0.189 52.233 52.037 0.011 0.000 0.806 46 A CB -0.125 18.883 19.000 0.014 0.000 0.847 46 A HN 0.377 nan 8.150 nan 0.000 0.482 47 I N -0.666 119.909 120.570 0.008 0.000 2.439 47 I HA -0.190 3.985 4.170 0.009 0.000 0.251 47 I C 1.986 178.108 176.117 0.008 0.000 1.139 47 I CA 1.291 62.595 61.300 0.007 0.000 1.438 47 I CB -0.106 37.898 38.000 0.005 0.000 1.085 47 I HN 0.252 nan 8.210 nan 0.000 0.427 48 K N 1.345 121.750 120.400 0.007 0.000 1.991 48 K HA -0.177 4.148 4.320 0.009 0.000 0.212 48 K C 2.261 178.868 176.600 0.012 0.000 1.049 48 K CA 1.789 58.081 56.287 0.009 0.000 0.932 48 K CB -0.551 31.954 32.500 0.009 0.000 0.717 48 K HN 0.413 nan 8.250 nan 0.000 0.441 49 A N 1.708 124.534 122.820 0.010 0.000 1.884 49 A HA -0.243 4.082 4.320 0.009 0.000 0.219 49 A C 2.454 180.046 177.584 0.012 0.000 1.197 49 A CA 2.371 54.414 52.037 0.010 0.000 0.637 49 A CB -1.130 17.874 19.000 0.007 0.000 0.827 49 A HN 0.398 nan 8.150 nan 0.000 0.450 50 A N -0.755 122.073 122.820 0.012 0.000 1.972 50 A HA -0.167 4.158 4.320 0.009 0.000 0.219 50 A C 2.114 179.706 177.584 0.012 0.000 1.169 50 A CA 1.976 54.020 52.037 0.012 0.000 0.635 50 A CB -0.428 18.579 19.000 0.012 0.000 0.810 50 A HN 0.580 nan 8.150 nan 0.000 0.446 51 K N -0.883 119.524 120.400 0.012 0.000 2.288 51 K HA -0.116 4.209 4.320 0.009 0.000 0.201 51 K C 1.677 178.286 176.600 0.015 0.000 1.048 51 K CA 1.239 57.533 56.287 0.012 0.000 0.956 51 K CB -0.011 32.495 32.500 0.011 0.000 0.746 51 K HN 0.228 nan 8.250 nan 0.000 0.461 52 K N 0.357 120.767 120.400 0.017 0.000 2.098 52 K HA 0.105 4.430 4.320 0.009 0.000 0.203 52 K C 1.483 178.093 176.600 0.017 0.000 1.051 52 K CA 1.032 57.331 56.287 0.020 0.000 0.957 52 K CB -0.154 32.359 32.500 0.021 0.000 0.738 52 K HN 0.150 nan 8.250 nan 0.000 0.447 53 A N 0.358 123.186 122.820 0.015 0.000 2.276 53 A HA 0.005 4.331 4.320 0.009 0.000 0.205 53 A C 1.616 179.207 177.584 0.012 0.000 1.234 53 A CA 1.306 53.351 52.037 0.013 0.000 0.797 53 A CB -1.035 17.973 19.000 0.014 0.000 0.769 53 A HN 0.329 nan 8.150 nan 0.000 0.491 54 G N -0.572 108.235 108.800 0.012 0.000 3.042 54 G HA2 0.173 4.138 3.960 0.009 0.000 0.212 54 G HA3 0.173 4.138 3.960 0.009 0.000 0.212 54 G C 0.204 175.111 174.900 0.012 0.000 1.166 54 G CA -0.312 44.794 45.100 0.011 0.000 0.767 54 G HN 0.690 nan 8.290 nan 0.000 0.546 55 N N -0.786 117.922 118.700 0.012 0.000 2.430 55 N HA 0.452 5.197 4.740 0.009 0.000 0.298 55 N C -1.103 174.411 175.510 0.006 0.000 1.130 55 N CA -0.819 52.238 53.050 0.011 0.000 0.894 55 N CB 2.948 41.444 38.487 0.014 0.000 1.209 55 N HN -0.118 nan 8.380 nan 0.000 0.503 56 V N 1.137 121.053 119.914 0.004 0.000 2.455 56 V HA 0.496 4.622 4.120 0.009 0.000 0.273 56 V C -0.273 175.817 176.094 -0.007 0.000 1.045 56 V CA -0.336 61.964 62.300 -0.001 0.000 0.976 56 V CB -0.136 31.687 31.823 -0.001 0.000 0.993 56 V HN 0.794 nan 8.190 nan 0.000 0.475 57 A N 5.783 128.599 122.820 -0.007 0.000 2.366 57 A HA 0.772 5.098 4.320 0.009 0.000 0.322 57 A C 0.790 178.363 177.584 -0.018 0.000 1.397 57 A CA 0.174 52.202 52.037 -0.014 0.000 0.984 57 A CB 1.024 20.021 19.000 -0.004 0.000 1.149 57 A HN 1.518 nan 8.150 nan 0.000 0.540 58 A N 1.919 124.722 122.820 -0.028 0.000 2.026 58 A HA 0.193 4.518 4.320 0.009 0.000 0.201 58 A C 1.116 178.678 177.584 -0.037 0.000 1.318 58 A CA 0.595 52.615 52.037 -0.028 0.000 0.857 58 A CB -0.014 18.972 19.000 -0.024 0.000 0.939 58 A HN 0.691 nan 8.150 nan 0.000 0.476 59 D N -1.076 119.289 120.400 -0.059 0.000 2.399 59 D HA 0.455 5.100 4.640 0.009 0.000 0.288 59 D C 0.599 176.853 176.300 -0.077 0.000 1.197 59 D CA 1.312 55.266 54.000 -0.077 0.000 1.081 59 D CB 1.014 41.749 40.800 -0.110 0.000 1.139 59 D HN 0.616 nan 8.370 nan 0.000 0.554 60 G N -1.090 107.642 108.800 -0.114 0.000 2.479 60 G HA2 0.077 4.042 3.960 0.009 0.000 0.686 60 G HA3 0.077 4.042 3.960 0.009 0.000 0.686 60 G C -0.413 174.511 174.900 0.040 0.000 1.295 60 G CA -0.270 44.798 45.100 -0.054 0.000 0.922 60 G HN 0.684 nan 8.290 nan 0.000 0.582 61 V N -1.636 118.386 119.914 0.180 0.000 3.267 61 V HA 0.934 5.059 4.120 0.009 0.000 0.317 61 V C 0.565 176.703 176.094 0.074 0.000 1.131 61 V CA -1.248 61.124 62.300 0.120 0.000 1.031 61 V CB 1.752 33.676 31.823 0.167 0.000 1.159 61 V HN 1.069 nan 8.190 nan 0.000 0.454 62 I N 0.850 121.445 120.570 0.041 0.000 2.689 62 I HA 0.628 4.803 4.170 0.009 0.000 0.299 62 I C -0.725 175.401 176.117 0.014 0.000 1.059 62 I CA -0.901 60.417 61.300 0.030 0.000 1.055 62 I CB 2.409 40.442 38.000 0.054 0.000 1.243 62 I HN 0.652 nan 8.210 nan 0.000 0.425 63 K N 3.267 123.673 120.400 0.010 0.000 2.464 63 K HA 0.634 4.959 4.320 0.009 0.000 0.253 63 K C -1.312 175.289 176.600 0.001 0.000 0.933 63 K CA -0.679 55.602 56.287 -0.011 0.000 0.801 63 K CB 2.560 35.034 32.500 -0.044 0.000 1.271 63 K HN 0.559 nan 8.250 nan 0.000 0.430 64 T N 1.893 116.441 114.554 -0.010 0.000 2.971 64 T HA 0.472 4.828 4.350 0.009 0.000 0.304 64 T C -0.849 173.841 174.700 -0.017 0.000 1.038 64 T CA -0.854 61.240 62.100 -0.009 0.000 1.007 64 T CB 1.902 70.769 68.868 -0.002 0.000 1.055 64 T HN 0.257 nan 8.240 nan 0.000 0.451 65 K N 2.454 122.839 120.400 -0.025 0.000 2.513 65 K HA 0.619 4.945 4.320 0.009 0.000 0.251 65 K C -1.224 175.358 176.600 -0.030 0.000 0.939 65 K CA -0.860 55.416 56.287 -0.018 0.000 0.793 65 K CB 2.105 34.599 32.500 -0.010 0.000 1.241 65 K HN 0.665 nan 8.250 nan 0.000 0.431 66 I N -0.960 119.605 120.570 -0.008 0.000 2.509 66 I HA 0.472 4.648 4.170 0.009 0.000 0.293 66 I C -0.828 175.313 176.117 0.040 0.000 1.020 66 I CA -0.300 60.998 61.300 -0.002 0.000 1.088 66 I CB 1.845 39.844 38.000 -0.002 0.000 1.267 66 I HN 0.266 nan 8.210 nan 0.000 0.430 67 D N 4.749 125.200 120.400 0.084 0.000 2.461 67 D HA 0.483 5.128 4.640 0.009 0.000 0.240 67 D C 0.998 177.358 176.300 0.100 0.000 1.094 67 D CA 0.903 54.966 54.000 0.104 0.000 0.868 67 D CB 1.448 42.343 40.800 0.159 0.000 1.062 67 D HN 1.005 nan 8.370 nan 0.000 0.530 68 G N 4.907 113.745 108.800 0.064 0.000 5.186 68 G HA2 -0.410 3.555 3.960 0.009 0.000 0.291 68 G HA3 -0.410 3.555 3.960 0.009 0.000 0.291 68 G C 0.639 175.573 174.900 0.056 0.000 1.394 68 G CA 1.178 46.309 45.100 0.052 0.000 1.121 68 G HN 0.704 nan 8.290 nan 0.000 0.802 69 N N -2.085 116.664 118.700 0.083 0.000 2.453 69 N HA 0.354 5.100 4.740 0.009 0.000 0.267 69 N C -0.592 175.001 175.510 0.139 0.000 1.482 69 N CA -0.107 52.991 53.050 0.081 0.000 0.841 69 N CB -0.205 38.318 38.487 0.060 0.000 1.408 69 N HN 0.763 nan 8.380 nan 0.000 0.490 70 Y N 0.826 121.133 120.300 0.011 0.000 2.345 70 Y HA 0.758 5.314 4.550 0.009 0.000 0.331 70 Y C 0.013 175.921 175.900 0.013 0.000 0.959 70 Y CA -0.736 57.371 58.100 0.011 0.000 1.204 70 Y CB 1.065 39.531 38.460 0.010 0.000 1.135 70 Y HN 0.224 nan 8.280 nan 0.000 0.477 71 G N 5.624 114.173 108.800 -0.418 0.000 2.568 71 G HA2 0.700 4.666 3.960 0.009 0.000 0.313 71 G HA3 0.700 4.666 3.960 0.009 0.000 0.313 71 G C -1.963 172.684 174.900 -0.421 0.000 1.227 71 G CA -0.867 44.039 45.100 -0.323 0.000 0.979 71 G HN 0.735 nan 8.290 nan 0.000 0.486 72 I N -0.531 119.904 120.570 -0.224 0.000 2.908 72 I HA 0.663 4.839 4.170 0.009 0.000 0.300 72 I C -1.940 174.148 176.117 -0.047 0.000 1.385 72 I CA -1.166 60.043 61.300 -0.152 0.000 1.004 72 I CB 2.318 40.234 38.000 -0.139 0.000 1.309 72 I HN 0.536 nan 8.210 nan 0.000 0.449 73 I N 7.696 128.279 120.570 0.022 0.000 2.644 73 I HA 0.515 4.690 4.170 0.009 0.000 0.291 73 I C -2.064 174.173 176.117 0.200 0.000 1.180 73 I CA -0.656 60.708 61.300 0.106 0.000 1.040 73 I CB 1.886 39.968 38.000 0.138 0.000 1.255 73 I HN 0.585 nan 8.210 nan 0.000 0.422 74 L N 5.484 126.758 121.223 0.086 0.000 2.464 74 L HA 0.675 5.020 4.340 0.009 0.000 0.266 74 L C -1.290 175.524 176.870 -0.094 0.000 0.965 74 L CA -0.488 54.335 54.840 -0.028 0.000 0.833 74 L CB 2.121 44.139 42.059 -0.068 0.000 1.296 74 L HN 0.710 nan 8.230 nan 0.000 0.405 75 E N 3.367 123.427 120.200 -0.234 0.000 2.115 75 E HA 0.462 4.817 4.350 0.009 0.000 0.282 75 E C -0.781 175.754 176.600 -0.108 0.000 0.987 75 E CA -0.856 55.448 56.400 -0.159 0.000 0.797 75 E CB 2.038 31.607 29.700 -0.218 0.000 1.086 75 E HN 0.600 nan 8.360 nan 0.000 0.397 76 V N 3.392 123.297 119.914 -0.014 0.000 2.394 76 V HA 0.410 4.535 4.120 0.009 0.000 0.282 76 V C -1.138 175.078 176.094 0.204 0.000 1.031 76 V CA -0.673 61.663 62.300 0.060 0.000 0.881 76 V CB 1.082 32.918 31.823 0.021 0.000 0.982 76 V HN 0.686 nan 8.190 nan 0.000 0.451 77 N N 5.082 123.873 118.700 0.151 0.000 2.487 77 N HA 0.719 5.465 4.740 0.009 0.000 0.292 77 N C -0.093 175.502 175.510 0.141 0.000 1.108 77 N CA -0.048 53.072 53.050 0.115 0.000 0.956 77 N CB 1.417 39.923 38.487 0.032 0.000 1.176 77 N HN 1.077 nan 8.380 nan 0.000 0.484 78 C N -0.239 119.048 119.300 -0.021 0.000 3.188 78 C HA 0.532 4.997 4.460 0.009 0.000 0.379 78 C C 1.064 175.996 174.990 -0.096 0.000 2.263 78 C CA -0.488 58.462 59.018 -0.114 0.000 1.616 78 C CB 0.730 28.219 27.740 -0.418 0.000 2.632 78 C HN 0.800 nan 8.230 nan 0.000 0.488 79 Q N -0.296 119.439 119.800 -0.108 0.000 2.245 79 Q HA 0.269 4.614 4.340 0.009 0.000 0.236 79 Q C 0.130 176.077 176.000 -0.088 0.000 0.842 79 Q CA 0.345 56.101 55.803 -0.077 0.000 0.945 79 Q CB 0.521 29.230 28.738 -0.049 0.000 1.122 79 Q HN 0.679 nan 8.270 nan 0.000 0.506 80 T N 0.967 115.448 114.554 -0.122 0.000 2.848 80 T HA 0.131 4.486 4.350 0.009 0.000 0.285 80 T C -0.289 174.344 174.700 -0.112 0.000 0.995 80 T CA -0.493 61.557 62.100 -0.083 0.000 0.970 80 T CB 1.818 70.665 68.868 -0.036 0.000 0.976 80 T HN 0.036 nan 8.240 nan 0.000 0.441 81 D N 2.558 122.897 120.400 -0.102 0.000 2.269 81 D HA -0.171 4.474 4.640 0.009 0.000 0.191 81 D C 1.682 177.886 176.300 -0.160 0.000 1.007 81 D CA 1.804 55.705 54.000 -0.165 0.000 0.855 81 D CB -0.190 40.475 40.800 -0.226 0.000 0.979 81 D HN 0.602 nan 8.370 nan 0.000 0.452 82 F N 0.064 119.969 119.950 -0.076 0.000 2.082 82 F HA -0.279 4.253 4.527 0.009 0.000 0.298 82 F C 2.627 178.318 175.800 -0.183 0.000 1.091 82 F CA 0.996 58.940 58.000 -0.094 0.000 1.230 82 F CB -1.013 37.941 39.000 -0.077 0.000 0.983 82 F HN -0.053 nan 8.300 nan 0.000 0.485 83 V N -0.191 119.693 119.914 -0.050 0.000 2.255 83 V HA -0.345 3.781 4.120 0.009 0.000 0.247 83 V C 2.567 178.440 176.094 -0.367 0.000 1.051 83 V CA 1.835 64.006 62.300 -0.215 0.000 1.018 83 V CB -1.336 30.296 31.823 -0.319 0.000 0.641 83 V HN 0.418 nan 8.190 nan 0.000 0.445 84 A N 0.600 123.124 122.820 -0.493 0.000 2.093 84 A HA -0.272 4.053 4.320 0.009 0.000 0.222 84 A C 1.932 179.473 177.584 -0.071 0.000 1.162 84 A CA 2.312 54.068 52.037 -0.468 0.000 0.655 84 A CB -0.453 18.379 19.000 -0.280 0.000 0.805 84 A HN 0.792 nan 8.150 nan 0.000 0.461 85 K N -0.276 120.086 120.400 -0.064 0.000 2.618 85 K HA 0.278 4.603 4.320 0.009 0.000 0.207 85 K C -0.490 176.131 176.600 0.035 0.000 1.058 85 K CA -0.072 56.213 56.287 -0.005 0.000 1.086 85 K CB 0.038 32.488 32.500 -0.084 0.000 0.827 85 K HN 0.223 nan 8.250 nan 0.000 0.481 86 D N 0.332 120.774 120.400 0.070 0.000 2.348 86 D HA 0.268 4.913 4.640 0.009 0.000 0.249 86 D C 1.281 177.645 176.300 0.107 0.000 1.110 86 D CA 0.022 54.069 54.000 0.077 0.000 0.967 86 D CB 1.545 42.381 40.800 0.060 0.000 1.139 86 D HN 0.135 nan 8.370 nan 0.000 0.466 87 A N 1.856 124.729 122.820 0.088 0.000 1.927 87 A HA -0.080 4.245 4.320 0.009 0.000 0.220 87 A C 1.906 179.546 177.584 0.093 0.000 1.185 87 A CA 2.297 54.384 52.037 0.084 0.000 0.639 87 A CB -1.230 17.815 19.000 0.076 0.000 0.820 87 A HN 0.648 nan 8.150 nan 0.000 0.451 88 G N -2.347 106.520 108.800 0.112 0.000 2.486 88 G HA2 0.019 3.984 3.960 0.009 0.000 0.210 88 G HA3 0.019 3.984 3.960 0.009 0.000 0.210 88 G C 1.354 176.347 174.900 0.157 0.000 1.168 88 G CA 0.706 45.877 45.100 0.118 0.000 0.820 88 G HN 0.463 nan 8.290 nan 0.000 0.544 89 F N 1.321 121.300 119.950 0.047 0.000 2.373 89 F HA -0.030 4.503 4.527 0.009 0.000 0.300 89 F C 2.644 178.497 175.800 0.088 0.000 1.080 89 F CA 1.266 59.303 58.000 0.062 0.000 1.417 89 F CB 0.298 39.311 39.000 0.022 0.000 1.070 89 F HN 0.086 nan 8.300 nan 0.000 0.546 90 Q N -0.166 119.722 119.800 0.147 0.000 2.163 90 Q HA 0.030 4.375 4.340 0.009 0.000 0.198 90 Q C 2.548 178.539 176.000 -0.016 0.000 0.954 90 Q CA 1.062 56.895 55.803 0.051 0.000 0.851 90 Q CB -0.537 28.250 28.738 0.082 0.000 0.928 90 Q HN 0.492 nan 8.270 nan 0.000 0.459 91 A N 0.275 123.111 122.820 0.026 0.000 1.972 91 A HA -0.162 4.163 4.320 0.009 0.000 0.219 91 A C 1.844 179.433 177.584 0.008 0.000 1.169 91 A CA 1.048 53.099 52.037 0.023 0.000 0.635 91 A CB -0.622 18.412 19.000 0.056 0.000 0.810 91 A HN 0.374 nan 8.150 nan 0.000 0.446 92 F N 0.556 120.415 119.950 -0.153 0.000 2.149 92 F HA 0.192 4.725 4.527 0.009 0.000 0.294 92 F C 2.275 177.891 175.800 -0.306 0.000 1.095 92 F CA 1.206 59.087 58.000 -0.198 0.000 1.276 92 F CB -0.225 38.641 39.000 -0.223 0.000 1.023 92 F HN 0.180 nan 8.300 nan 0.000 0.480 93 A N -0.650 121.966 122.820 -0.341 0.000 2.239 93 A HA -0.031 4.295 4.320 0.009 0.000 0.209 93 A C 1.444 178.832 177.584 -0.326 0.000 1.171 93 A CA 1.395 53.170 52.037 -0.437 0.000 0.768 93 A CB -0.702 18.041 19.000 -0.429 0.000 0.790 93 A HN 0.444 nan 8.150 nan 0.000 0.478 94 D N -0.697 119.554 120.400 -0.249 0.000 2.338 94 D HA -0.014 4.632 4.640 0.009 0.000 0.208 94 D C 1.870 178.070 176.300 -0.167 0.000 0.997 94 D CA 0.848 54.751 54.000 -0.161 0.000 0.880 94 D CB 0.000 40.749 40.800 -0.086 0.000 0.980 94 D HN 0.564 nan 8.370 nan 0.000 0.509 95 K N 0.824 121.095 120.400 -0.216 0.000 2.062 95 K HA -0.015 4.310 4.320 0.009 0.000 0.205 95 K C 1.654 178.122 176.600 -0.220 0.000 1.051 95 K CA 0.607 56.807 56.287 -0.145 0.000 0.941 95 K CB 0.071 32.532 32.500 -0.065 0.000 0.719 95 K HN -0.119 nan 8.250 nan 0.000 0.440 96 V N 2.305 121.842 119.914 -0.629 0.000 3.444 96 V HA -0.068 4.057 4.120 0.009 0.000 0.271 96 V C 1.538 177.387 176.094 -0.408 0.000 1.188 96 V CA 0.588 62.362 62.300 -0.877 0.000 1.168 96 V CB -0.162 30.794 31.823 -1.445 0.000 0.810 96 V HN 0.413 nan 8.190 nan 0.000 0.500 97 L N -1.276 119.791 121.223 -0.259 0.000 2.500 97 L HA 0.223 4.569 4.340 0.009 0.000 0.219 97 L C 1.827 178.658 176.870 -0.066 0.000 1.057 97 L CA 1.292 56.047 54.840 -0.141 0.000 0.854 97 L CB -0.217 41.766 42.059 -0.126 0.000 1.078 97 L HN 0.248 nan 8.230 nan 0.000 0.480 98 D N 0.945 121.313 120.400 -0.054 0.000 2.162 98 D HA 0.004 4.649 4.640 0.009 0.000 0.203 98 D C 2.015 178.331 176.300 0.026 0.000 0.967 98 D CA 1.358 55.353 54.000 -0.008 0.000 0.840 98 D CB 0.280 41.076 40.800 -0.007 0.000 0.972 98 D HN 0.377 nan 8.370 nan 0.000 0.482 99 A N 0.062 122.914 122.820 0.053 0.000 2.238 99 A HA 0.342 4.667 4.320 0.009 0.000 0.208 99 A C 1.962 179.605 177.584 0.098 0.000 1.177 99 A CA 1.023 53.118 52.037 0.097 0.000 0.804 99 A CB -0.058 19.052 19.000 0.185 0.000 0.823 99 A HN 0.171 nan 8.150 nan 0.000 0.482 100 A N -0.814 122.044 122.820 0.064 0.000 2.095 100 A HA 0.309 4.634 4.320 0.009 0.000 0.212 100 A C 1.906 179.541 177.584 0.086 0.000 1.162 100 A CA 1.101 53.176 52.037 0.062 0.000 0.753 100 A CB -0.202 18.805 19.000 0.012 0.000 0.840 100 A HN 0.244 nan 8.150 nan 0.000 0.468 101 V N -0.144 119.818 119.914 0.081 0.000 2.283 101 V HA -0.064 4.062 4.120 0.009 0.000 0.239 101 V C 2.945 179.130 176.094 0.152 0.000 1.035 101 V CA 1.552 63.931 62.300 0.131 0.000 1.018 101 V CB -1.372 30.503 31.823 0.088 0.000 0.658 101 V HN 0.527 nan 8.190 nan 0.000 0.459 102 A N 0.886 123.760 122.820 0.090 0.000 1.836 102 A HA -0.104 4.222 4.320 0.009 0.000 0.215 102 A C 1.845 179.460 177.584 0.050 0.000 1.214 102 A CA 1.801 53.873 52.037 0.059 0.000 0.636 102 A CB -1.570 17.453 19.000 0.038 0.000 0.847 102 A HN 0.687 nan 8.150 nan 0.000 0.451 103 G N 0.368 109.196 108.800 0.048 0.000 2.778 103 G HA2 0.451 4.416 3.960 0.009 0.000 0.287 103 G HA3 0.451 4.416 3.960 0.009 0.000 0.287 103 G C 0.267 175.209 174.900 0.070 0.000 0.747 103 G CA 0.509 45.635 45.100 0.043 0.000 1.961 103 G HN 0.864 nan 8.290 nan 0.000 0.539 104 K N 2.641 123.089 120.400 0.080 0.000 2.419 104 K HA 0.352 4.678 4.320 0.009 0.000 0.282 104 K C 0.141 176.809 176.600 0.114 0.000 1.056 104 K CA 0.153 56.526 56.287 0.144 0.000 1.035 104 K CB -0.074 32.523 32.500 0.162 0.000 0.921 104 K HN 0.621 nan 8.250 nan 0.000 0.472 105 I N 3.673 124.312 120.570 0.115 0.000 2.437 105 I HA 0.126 4.301 4.170 0.009 0.000 0.279 105 I C 1.457 177.625 176.117 0.084 0.000 1.028 105 I CA -0.721 60.632 61.300 0.087 0.000 1.142 105 I CB 1.697 39.743 38.000 0.078 0.000 1.266 105 I HN 0.857 nan 8.210 nan 0.000 0.461 106 T N 2.505 117.110 114.554 0.084 0.000 2.781 106 T HA -0.056 4.300 4.350 0.009 0.000 0.252 106 T C 0.836 175.572 174.700 0.061 0.000 1.039 106 T CA 0.836 62.980 62.100 0.074 0.000 1.147 106 T CB 0.037 68.951 68.868 0.075 0.000 0.865 106 T HN 0.559 nan 8.240 nan 0.000 0.423 107 D N 1.666 122.099 120.400 0.054 0.000 2.493 107 D HA -0.029 4.616 4.640 0.009 0.000 0.240 107 D C 1.325 177.652 176.300 0.046 0.000 1.142 107 D CA 0.088 54.116 54.000 0.046 0.000 0.872 107 D CB 1.570 42.395 40.800 0.041 0.000 1.173 107 D HN 0.204 nan 8.370 nan 0.000 0.467 108 V N 4.743 124.681 119.914 0.040 0.000 2.323 108 V HA -0.174 3.951 4.120 0.009 0.000 0.244 108 V C 1.935 178.052 176.094 0.039 0.000 1.041 108 V CA 1.476 63.796 62.300 0.033 0.000 1.025 108 V CB -0.215 31.622 31.823 0.022 0.000 0.656 108 V HN 0.515 nan 8.190 nan 0.000 0.451 109 E N 0.266 120.490 120.200 0.039 0.000 2.171 109 E HA -0.177 4.179 4.350 0.009 0.000 0.197 109 E C 2.240 178.874 176.600 0.056 0.000 0.997 109 E CA 1.590 58.016 56.400 0.044 0.000 0.810 109 E CB -0.776 28.946 29.700 0.037 0.000 0.738 109 E HN 0.607 nan 8.360 nan 0.000 0.467 110 V N 1.826 121.773 119.914 0.056 0.000 2.222 110 V HA -0.317 3.808 4.120 0.009 0.000 0.252 110 V C 2.546 178.698 176.094 0.097 0.000 1.060 110 V CA 2.501 64.839 62.300 0.064 0.000 1.027 110 V CB -0.983 30.876 31.823 0.061 0.000 0.644 110 V HN 0.365 nan 8.190 nan 0.000 0.448 111 L N -1.636 119.662 121.223 0.125 0.000 2.418 111 L HA 0.103 4.449 4.340 0.009 0.000 0.218 111 L C 2.342 179.367 176.870 0.257 0.000 1.125 111 L CA 1.421 56.405 54.840 0.240 0.000 0.835 111 L CB -0.688 41.499 42.059 0.214 0.000 0.953 111 L HN 0.206 nan 8.230 nan 0.000 0.454 112 K N 1.262 121.746 120.400 0.141 0.000 2.148 112 K HA -0.065 4.261 4.320 0.009 0.000 0.204 112 K C 1.798 178.489 176.600 0.151 0.000 1.050 112 K CA 1.361 57.725 56.287 0.129 0.000 0.942 112 K CB 0.029 32.575 32.500 0.075 0.000 0.724 112 K HN 0.518 nan 8.250 nan 0.000 0.446 113 A N 0.242 123.138 122.820 0.126 0.000 2.197 113 A HA -0.016 4.310 4.320 0.009 0.000 0.210 113 A C 1.745 179.380 177.584 0.085 0.000 1.180 113 A CA 0.093 52.188 52.037 0.096 0.000 0.846 113 A CB -0.025 19.012 19.000 0.061 0.000 0.884 113 A HN 0.433 nan 8.150 nan 0.000 0.487 114 Q N -1.649 118.210 119.800 0.098 0.000 2.378 114 Q HA -0.001 4.344 4.340 0.009 0.000 0.205 114 Q C 0.754 176.682 176.000 -0.120 0.000 0.954 114 Q CA 1.245 57.044 55.803 -0.006 0.000 0.901 114 Q CB -0.098 28.634 28.738 -0.009 0.000 0.981 114 Q HN 0.602 nan 8.270 nan 0.000 0.483 115 F N -0.333 119.642 119.950 0.043 0.000 2.680 115 F HA 0.152 4.684 4.527 0.009 0.000 0.290 115 F C 1.793 177.661 175.800 0.114 0.000 1.114 115 F CA 0.262 58.311 58.000 0.083 0.000 1.333 115 F CB 0.290 39.348 39.000 0.097 0.000 1.091 115 F HN 0.075 nan 8.300 nan 0.000 0.606 116 E N 1.234 121.587 120.200 0.256 0.000 2.315 116 E HA -0.321 4.034 4.350 0.009 0.000 0.215 116 E C 1.758 178.432 176.600 0.124 0.000 1.069 116 E CA 2.016 58.514 56.400 0.164 0.000 0.859 116 E CB -0.076 29.687 29.700 0.105 0.000 0.743 116 E HN 0.270 nan 8.360 nan 0.000 0.469 117 E N 0.154 120.419 120.200 0.108 0.000 2.051 117 E HA -0.069 4.286 4.350 0.009 0.000 0.189 117 E C 1.703 178.361 176.600 0.095 0.000 0.979 117 E CA 1.262 57.707 56.400 0.075 0.000 0.803 117 E CB -0.271 29.455 29.700 0.044 0.000 0.761 117 E HN 0.421 nan 8.360 nan 0.000 0.451 118 E N 0.183 120.477 120.200 0.157 0.000 2.472 118 E HA -0.151 4.204 4.350 0.009 0.000 0.200 118 E C 1.824 178.525 176.600 0.169 0.000 1.046 118 E CA 0.274 56.796 56.400 0.204 0.000 0.871 118 E CB 0.112 30.010 29.700 0.329 0.000 0.806 118 E HN 0.026 nan 8.360 nan 0.000 0.533 119 R N 0.338 120.922 120.500 0.140 0.000 2.161 119 R HA -0.040 4.305 4.340 0.009 0.000 0.213 119 R C 2.163 178.414 176.300 -0.082 0.000 1.055 119 R CA 0.981 57.049 56.100 -0.053 0.000 0.996 119 R CB 0.221 30.562 30.300 0.069 0.000 0.901 119 R HN 0.170 nan 8.270 nan 0.000 0.456 120 V N -2.553 117.355 119.914 -0.009 0.000 3.623 120 V HA 0.280 4.405 4.120 0.009 0.000 0.271 120 V C 1.487 177.573 176.094 -0.013 0.000 1.248 120 V CA 1.102 63.396 62.300 -0.011 0.000 1.156 120 V CB 0.341 32.170 31.823 0.011 0.000 0.870 120 V HN 0.193 nan 8.190 nan 0.000 0.453 121 A N -0.412 122.400 122.820 -0.013 0.000 2.251 121 A HA 0.439 4.765 4.320 0.009 0.000 0.209 121 A C 1.904 179.471 177.584 -0.028 0.000 1.187 121 A CA 0.807 52.844 52.037 -0.000 0.000 0.823 121 A CB -0.134 18.889 19.000 0.037 0.000 0.846 121 A HN 0.562 nan 8.150 nan 0.000 0.486 122 L N -2.317 118.854 121.223 -0.086 0.000 2.541 122 L HA 0.064 4.409 4.340 0.009 0.000 0.187 122 L C 2.285 179.130 176.870 -0.042 0.000 1.098 122 L CA 0.595 55.380 54.840 -0.091 0.000 0.846 122 L CB -0.500 41.424 42.059 -0.225 0.000 1.151 122 L HN 0.166 nan 8.230 nan 0.000 0.492 123 V N 0.863 120.745 119.914 -0.054 0.000 2.428 123 V HA -0.374 3.751 4.120 0.009 0.000 0.255 123 V C 2.465 178.563 176.094 0.008 0.000 1.080 123 V CA 2.202 64.495 62.300 -0.012 0.000 1.083 123 V CB -0.243 31.571 31.823 -0.014 0.000 0.665 123 V HN 0.479 nan 8.190 nan 0.000 0.461 124 A N -0.545 122.275 122.820 0.001 0.000 1.840 124 A HA -0.184 4.142 4.320 0.009 0.000 0.214 124 A C 2.256 179.848 177.584 0.014 0.000 1.198 124 A CA 1.855 53.897 52.037 0.008 0.000 0.608 124 A CB -0.596 18.408 19.000 0.005 0.000 0.839 124 A HN 0.564 nan 8.150 nan 0.000 0.443 125 K N -0.844 119.564 120.400 0.014 0.000 2.147 125 K HA 0.001 4.326 4.320 0.009 0.000 0.205 125 K C 1.675 178.295 176.600 0.033 0.000 1.049 125 K CA 1.385 57.685 56.287 0.022 0.000 0.936 125 K CB -0.179 32.335 32.500 0.023 0.000 0.722 125 K HN 0.533 nan 8.250 nan 0.000 0.446 126 I N -1.521 119.076 120.570 0.046 0.000 2.899 126 I HA 0.032 4.208 4.170 0.009 0.000 0.257 126 I C 0.918 177.123 176.117 0.146 0.000 1.115 126 I CA 0.612 61.966 61.300 0.089 0.000 1.451 126 I CB 0.607 38.658 38.000 0.085 0.000 1.251 126 I HN 0.354 nan 8.210 nan 0.000 0.456 127 G N 2.391 111.258 108.800 0.111 0.000 2.167 127 G HA2 -0.167 3.798 3.960 0.009 0.000 0.194 127 G HA3 -0.167 3.798 3.960 0.009 0.000 0.194 127 G C -0.227 174.775 174.900 0.171 0.000 1.027 127 G CA -0.420 44.760 45.100 0.132 0.000 0.717 127 G HN 0.408 nan 8.290 nan 0.000 0.501 128 E N -0.364 119.891 120.200 0.092 0.000 2.266 128 E HA 0.306 4.662 4.350 0.009 0.000 0.268 128 E C -0.473 176.140 176.600 0.020 0.000 0.879 128 E CA -1.169 55.253 56.400 0.037 0.000 0.762 128 E CB 1.174 30.858 29.700 -0.026 0.000 1.199 128 E HN 0.095 nan 8.360 nan 0.000 0.422 129 N N 3.150 121.858 118.700 0.013 0.000 2.412 129 N HA 0.008 4.754 4.740 0.009 0.000 0.279 129 N C -0.960 174.559 175.510 0.015 0.000 1.287 129 N CA 0.396 53.454 53.050 0.012 0.000 0.948 129 N CB 0.040 38.533 38.487 0.010 0.000 1.255 129 N HN 0.492 nan 8.380 nan 0.000 0.485 130 I N 2.620 123.204 120.570 0.023 0.000 2.428 130 I HA 0.351 4.527 4.170 0.009 0.000 0.279 130 I C -1.151 174.991 176.117 0.042 0.000 1.040 130 I CA -0.798 60.539 61.300 0.062 0.000 1.171 130 I CB 0.179 38.230 38.000 0.086 0.000 1.312 130 I HN 0.326 nan 8.210 nan 0.000 0.470 131 N N 7.017 125.752 118.700 0.058 0.000 2.511 131 N HA 0.391 5.137 4.740 0.009 0.000 0.249 131 N C -0.732 174.811 175.510 0.055 0.000 0.971 131 N CA -0.498 52.580 53.050 0.047 0.000 0.938 131 N CB 1.442 39.946 38.487 0.028 0.000 1.131 131 N HN 0.459 nan 8.380 nan 0.000 0.505 132 I N 2.050 122.663 120.570 0.071 0.000 2.725 132 I HA -0.051 4.125 4.170 0.009 0.000 0.296 132 I C 1.424 177.534 176.117 -0.012 0.000 1.155 132 I CA 0.360 61.681 61.300 0.036 0.000 1.450 132 I CB -0.677 37.336 38.000 0.021 0.000 1.478 132 I HN 0.392 nan 8.210 nan 0.000 0.642 133 R N 6.368 126.845 120.500 -0.038 0.000 2.584 133 R HA 0.371 4.716 4.340 0.009 0.000 0.253 133 R C 0.214 176.437 176.300 -0.128 0.000 1.251 133 R CA -0.822 55.237 56.100 -0.068 0.000 1.129 133 R CB 0.550 30.806 30.300 -0.073 0.000 1.239 133 R HN 0.696 nan 8.270 nan 0.000 0.595 134 R N 0.008 120.419 120.500 -0.149 0.000 2.442 134 R HA -0.082 4.264 4.340 0.009 0.000 0.274 134 R C -0.559 175.597 176.300 -0.239 0.000 0.944 134 R CA 0.163 56.160 56.100 -0.172 0.000 1.097 134 R CB -0.188 30.009 30.300 -0.172 0.000 0.847 134 R HN 0.248 nan 8.270 nan 0.000 0.430 135 V N 1.232 121.107 119.914 -0.064 0.000 2.971 135 V HA 0.831 4.956 4.120 0.009 0.000 0.309 135 V C -0.987 175.203 176.094 0.160 0.000 1.130 135 V CA 0.010 62.331 62.300 0.035 0.000 0.964 135 V CB 2.087 33.913 31.823 0.005 0.000 1.029 135 V HN 1.224 nan 8.190 nan 0.000 0.427 136 A N 4.007 126.971 122.820 0.240 0.000 2.588 136 A HA 1.093 5.418 4.320 0.009 0.000 0.290 136 A C -0.829 176.788 177.584 0.055 0.000 1.136 136 A CA -0.199 51.922 52.037 0.140 0.000 0.681 136 A CB 1.714 20.796 19.000 0.135 0.000 1.282 136 A HN 2.366 nan 8.150 nan 0.000 0.421 137 A N -0.701 122.113 122.820 -0.011 0.000 2.587 137 A HA 0.816 5.141 4.320 0.009 0.000 0.293 137 A C -1.798 175.719 177.584 -0.112 0.000 1.087 137 A CA -0.359 51.615 52.037 -0.106 0.000 0.692 137 A CB 1.462 20.359 19.000 -0.172 0.000 1.291 137 A HN 1.990 nan 8.150 nan 0.000 0.407 138 L N 0.618 121.737 121.223 -0.173 0.000 2.409 138 L HA 0.789 5.134 4.340 0.009 0.000 0.262 138 L C -0.759 176.048 176.870 -0.105 0.000 0.992 138 L CA -0.071 54.708 54.840 -0.102 0.000 0.817 138 L CB 2.128 44.135 42.059 -0.086 0.000 1.350 138 L HN 0.896 nan 8.230 nan 0.000 0.411 139 E N 2.703 122.908 120.200 0.008 0.000 2.290 139 E HA 0.774 5.129 4.350 0.009 0.000 0.274 139 E C -1.075 175.563 176.600 0.063 0.000 0.889 139 E CA -0.894 55.550 56.400 0.074 0.000 0.760 139 E CB 2.074 31.928 29.700 0.256 0.000 1.206 139 E HN 0.706 nan 8.360 nan 0.000 0.419 140 G N 1.979 110.811 108.800 0.053 0.000 3.135 140 G HA2 0.266 4.232 3.960 0.009 0.000 0.278 140 G HA3 0.266 4.232 3.960 0.009 0.000 0.278 140 G C -0.501 174.423 174.900 0.041 0.000 1.302 140 G CA -0.382 44.744 45.100 0.042 0.000 0.880 140 G HN 0.441 nan 8.290 nan 0.000 0.574 141 D N -1.009 119.409 120.400 0.030 0.000 2.146 141 D HA 0.098 4.744 4.640 0.009 0.000 0.209 141 D C 0.891 177.204 176.300 0.021 0.000 0.973 141 D CA 1.070 55.085 54.000 0.024 0.000 0.860 141 D CB 0.055 40.864 40.800 0.016 0.000 1.015 141 D HN 0.141 nan 8.370 nan 0.000 0.465 142 V N 2.247 122.170 119.914 0.014 0.000 2.326 142 V HA 0.334 4.460 4.120 0.009 0.000 0.281 142 V C -0.375 175.726 176.094 0.011 0.000 1.015 142 V CA -0.833 61.473 62.300 0.010 0.000 0.823 142 V CB 1.258 33.079 31.823 -0.003 0.000 1.009 142 V HN 0.119 nan 8.190 nan 0.000 0.436 143 L N 3.647 124.881 121.223 0.017 0.000 2.305 143 L HA 1.051 5.397 4.340 0.009 0.000 0.284 143 L C 0.182 177.063 176.870 0.018 0.000 1.013 143 L CA -0.062 54.788 54.840 0.017 0.000 0.819 143 L CB 1.505 43.572 42.059 0.013 0.000 1.227 143 L HN 0.593 nan 8.230 nan 0.000 0.417 144 G N 2.114 110.930 108.800 0.026 0.000 2.537 144 G HA2 0.704 4.669 3.960 0.009 0.000 0.323 144 G HA3 0.704 4.669 3.960 0.009 0.000 0.323 144 G C -1.095 173.840 174.900 0.058 0.000 1.207 144 G CA -0.349 44.775 45.100 0.039 0.000 0.976 144 G HN 0.888 nan 8.290 nan 0.000 0.487 145 S N -1.318 114.430 115.700 0.080 0.000 2.549 145 S HA 0.688 5.164 4.470 0.009 0.000 0.280 145 S C -1.484 173.225 174.600 0.181 0.000 1.109 145 S CA -0.824 57.437 58.200 0.100 0.000 0.905 145 S CB 1.865 65.097 63.200 0.052 0.000 1.081 145 S HN 0.922 nan 8.310 nan 0.000 0.477 146 Y N 1.049 121.377 120.300 0.045 0.000 2.442 146 Y HA 0.669 5.224 4.550 0.009 0.000 0.344 146 Y C -0.996 174.938 175.900 0.056 0.000 0.976 146 Y CA -0.619 57.513 58.100 0.053 0.000 1.040 146 Y CB 2.007 40.499 38.460 0.054 0.000 1.228 146 Y HN 0.828 nan 8.280 nan 0.000 0.451 147 Q N 4.121 123.460 119.800 -0.769 0.000 2.320 147 Q HA 0.244 4.590 4.340 0.009 0.000 0.268 147 Q C -1.975 173.595 176.000 -0.717 0.000 1.023 147 Q CA -0.667 54.795 55.803 -0.567 0.000 0.744 147 Q CB 0.563 29.160 28.738 -0.234 0.000 1.246 147 Q HN 0.728 nan 8.270 nan 0.000 0.462 148 H N 3.472 122.147 119.070 -0.659 0.000 2.908 148 H HA 0.416 4.978 4.556 0.009 0.000 0.269 148 H C 1.200 176.413 175.328 -0.191 0.000 1.303 148 H CA 1.173 56.999 56.048 -0.370 0.000 1.341 148 H CB 0.094 29.753 29.762 -0.172 0.000 1.519 148 H HN 0.886 nan 8.280 nan 0.000 0.505 149 G N 3.893 112.530 108.800 -0.271 0.000 5.186 149 G HA2 -0.386 3.579 3.960 0.009 0.000 0.291 149 G HA3 -0.386 3.579 3.960 0.009 0.000 0.291 149 G C 0.872 175.693 174.900 -0.132 0.000 1.394 149 G CA 1.202 46.175 45.100 -0.211 0.000 1.121 149 G HN 1.511 nan 8.290 nan 0.000 0.802 150 A N -1.960 120.795 122.820 -0.107 0.000 2.399 150 A HA 0.443 4.769 4.320 0.009 0.000 0.218 150 A C 1.228 178.795 177.584 -0.028 0.000 2.864 150 A CA 1.178 53.181 52.037 -0.057 0.000 1.547 150 A CB -0.497 18.480 19.000 -0.037 0.000 0.283 150 A HN 0.909 nan 8.150 nan 0.000 0.542 151 R N 0.089 120.570 120.500 -0.031 0.000 2.200 151 R HA 0.364 4.709 4.340 0.009 0.000 0.208 151 R C 0.408 176.726 176.300 0.030 0.000 1.033 151 R CA 1.246 57.344 56.100 -0.003 0.000 1.000 151 R CB 0.221 30.516 30.300 -0.008 0.000 0.906 151 R HN 0.455 nan 8.270 nan 0.000 0.462 152 I N 0.084 120.679 120.570 0.041 0.000 2.692 152 I HA 0.463 4.638 4.170 0.009 0.000 0.293 152 I C -1.620 174.521 176.117 0.040 0.000 1.200 152 I CA -0.634 60.703 61.300 0.062 0.000 1.036 152 I CB 2.170 40.213 38.000 0.072 0.000 1.258 152 I HN 0.182 nan 8.210 nan 0.000 0.421 153 G N 6.753 115.597 108.800 0.072 0.000 2.687 153 G HA2 0.617 4.582 3.960 0.009 0.000 0.301 153 G HA3 0.617 4.582 3.960 0.009 0.000 0.301 153 G C -1.295 173.646 174.900 0.068 0.000 1.416 153 G CA -0.437 44.694 45.100 0.051 0.000 1.005 153 G HN 0.539 nan 8.290 nan 0.000 0.509 154 V N 0.051 120.007 119.914 0.072 0.000 2.581 154 V HA 0.831 4.956 4.120 0.009 0.000 0.303 154 V C -0.864 175.267 176.094 0.061 0.000 1.041 154 V CA -1.321 61.029 62.300 0.084 0.000 0.907 154 V CB 1.814 33.727 31.823 0.149 0.000 0.994 154 V HN 0.515 nan 8.190 nan 0.000 0.442 155 L N 4.272 125.515 121.223 0.034 0.000 2.415 155 L HA 0.676 5.021 4.340 0.009 0.000 0.268 155 L C -0.559 176.345 176.870 0.056 0.000 0.984 155 L CA -0.191 54.657 54.840 0.013 0.000 0.853 155 L CB 1.642 43.666 42.059 -0.057 0.000 1.215 155 L HN 0.670 nan 8.230 nan 0.000 0.419 156 V N 3.922 123.880 119.914 0.073 0.000 2.407 156 V HA 0.785 4.911 4.120 0.009 0.000 0.291 156 V C 0.063 176.195 176.094 0.062 0.000 1.018 156 V CA -0.625 61.737 62.300 0.103 0.000 0.842 156 V CB 1.709 33.590 31.823 0.096 0.000 0.996 156 V HN 0.815 nan 8.190 nan 0.000 0.426 157 A N 4.473 127.333 122.820 0.066 0.000 2.260 157 A HA 0.886 5.211 4.320 0.009 0.000 0.314 157 A C 0.125 177.736 177.584 0.044 0.000 1.257 157 A CA -0.178 51.884 52.037 0.043 0.000 0.871 157 A CB 1.045 20.065 19.000 0.034 0.000 1.166 157 A HN 1.358 nan 8.150 nan 0.000 0.522 158 A N 2.519 125.353 122.820 0.024 0.000 2.702 158 A HA 0.644 4.969 4.320 0.009 0.000 0.305 158 A C 0.293 177.880 177.584 0.004 0.000 1.213 158 A CA -0.073 51.970 52.037 0.010 0.000 0.745 158 A CB 0.003 18.996 19.000 -0.012 0.000 1.161 158 A HN 1.399 nan 8.150 nan 0.000 0.445 159 K N 0.936 121.343 120.400 0.011 0.000 2.095 159 K HA 0.497 4.822 4.320 0.009 0.000 0.258 159 K C 0.902 177.503 176.600 0.001 0.000 1.120 159 K CA 0.249 56.541 56.287 0.008 0.000 1.026 159 K CB -0.611 31.897 32.500 0.014 0.000 1.256 159 K HN 2.314 nan 8.250 nan 0.000 0.360 160 G N -1.142 107.655 108.800 -0.004 0.000 2.665 160 G HA2 0.474 4.439 3.960 0.009 0.000 0.220 160 G HA3 0.474 4.439 3.960 0.009 0.000 0.220 160 G C -0.082 174.809 174.900 -0.015 0.000 1.002 160 G CA 0.339 45.435 45.100 -0.007 0.000 0.893 160 G HN 1.559 nan 8.290 nan 0.000 0.586 161 A N -0.114 122.692 122.820 -0.024 0.000 2.530 161 A HA 0.872 5.198 4.320 0.009 0.000 0.288 161 A C -0.030 177.526 177.584 -0.046 0.000 1.172 161 A CA 0.088 52.098 52.037 -0.045 0.000 0.733 161 A CB 1.392 20.348 19.000 -0.072 0.000 1.320 161 A HN 0.250 nan 8.150 nan 0.000 0.419 162 D N -0.384 119.974 120.400 -0.069 0.000 2.406 162 D HA 0.188 4.834 4.640 0.009 0.000 0.288 162 D C 0.697 176.955 176.300 -0.071 0.000 1.186 162 D CA 0.388 54.350 54.000 -0.063 0.000 1.098 162 D CB -0.060 40.700 40.800 -0.066 0.000 1.160 162 D HN 0.523 nan 8.370 nan 0.000 0.561 163 E N -0.080 120.076 120.200 -0.073 0.000 2.206 163 E HA -0.055 4.301 4.350 0.009 0.000 0.195 163 E C 1.650 178.188 176.600 -0.103 0.000 0.935 163 E CA 0.444 56.807 56.400 -0.062 0.000 0.875 163 E CB -0.623 29.058 29.700 -0.032 0.000 0.841 163 E HN 0.524 nan 8.360 nan 0.000 0.477 164 E N 0.693 120.796 120.200 -0.161 0.000 2.204 164 E HA -0.082 4.274 4.350 0.009 0.000 0.195 164 E C 2.019 178.355 176.600 -0.440 0.000 0.990 164 E CA 0.465 56.683 56.400 -0.304 0.000 0.821 164 E CB 0.071 29.585 29.700 -0.311 0.000 0.750 164 E HN 0.162 nan 8.360 nan 0.000 0.477 165 L N 0.605 121.638 121.223 -0.318 0.000 2.068 165 L HA -0.117 4.229 4.340 0.009 0.000 0.204 165 L C 2.535 179.295 176.870 -0.182 0.000 1.076 165 L CA 1.215 55.860 54.840 -0.325 0.000 0.753 165 L CB -0.539 41.317 42.059 -0.338 0.000 0.910 165 L HN 0.084 nan 8.230 nan 0.000 0.439 166 V N -2.189 117.660 119.914 -0.109 0.000 2.453 166 V HA -0.220 3.906 4.120 0.009 0.000 0.247 166 V C 2.552 178.664 176.094 0.031 0.000 1.048 166 V CA 1.461 63.741 62.300 -0.035 0.000 1.049 166 V CB -0.962 30.852 31.823 -0.015 0.000 0.672 166 V HN 0.358 nan 8.190 nan 0.000 0.457 167 K N 0.049 120.474 120.400 0.043 0.000 2.020 167 K HA -0.261 4.065 4.320 0.009 0.000 0.212 167 K C 2.260 178.978 176.600 0.196 0.000 1.050 167 K CA 2.427 58.796 56.287 0.136 0.000 0.929 167 K CB -0.384 32.211 32.500 0.158 0.000 0.714 167 K HN 0.709 nan 8.250 nan 0.000 0.443 168 H N -0.978 118.081 119.070 -0.019 0.000 2.428 168 H HA -0.080 4.481 4.556 0.009 0.000 0.296 168 H C 2.038 177.430 175.328 0.106 0.000 1.062 168 H CA 0.965 57.036 56.048 0.038 0.000 1.350 168 H CB 0.185 29.983 29.762 0.059 0.000 1.403 168 H HN 0.223 nan 8.280 nan 0.000 0.533 169 I N 0.946 121.585 120.570 0.116 0.000 3.059 169 I HA 0.027 4.202 4.170 0.009 0.000 0.270 169 I C 2.204 178.371 176.117 0.083 0.000 1.238 169 I CA 0.538 61.873 61.300 0.059 0.000 1.478 169 I CB -0.201 37.747 38.000 -0.088 0.000 1.097 169 I HN 0.085 nan 8.210 nan 0.000 0.455 170 A N 0.512 123.386 122.820 0.090 0.000 1.929 170 A HA -0.113 4.212 4.320 0.009 0.000 0.216 170 A C 2.267 179.908 177.584 0.094 0.000 1.176 170 A CA 1.813 53.921 52.037 0.119 0.000 0.628 170 A CB -0.526 18.576 19.000 0.170 0.000 0.816 170 A HN 0.483 nan 8.150 nan 0.000 0.444 171 M N -1.861 117.712 119.600 -0.046 0.000 2.200 171 M HA -0.078 4.407 4.480 0.009 0.000 0.265 171 M C 2.150 178.396 176.300 -0.090 0.000 1.066 171 M CA 1.794 56.913 55.300 -0.301 0.000 1.127 171 M CB -0.528 31.764 32.600 -0.514 0.000 1.379 171 M HN 0.738 nan 8.290 nan 0.000 0.420 172 H N 0.228 119.292 119.070 -0.010 0.000 2.389 172 H HA -0.073 4.489 4.556 0.009 0.000 0.299 172 H C 1.780 177.081 175.328 -0.045 0.000 1.081 172 H CA 1.398 57.454 56.048 0.013 0.000 1.345 172 H CB 0.304 30.193 29.762 0.212 0.000 1.393 172 H HN 0.068 nan 8.280 nan 0.000 0.520 173 V N 0.688 120.687 119.914 0.142 0.000 2.379 173 V HA -0.154 3.971 4.120 0.009 0.000 0.245 173 V C 2.748 178.844 176.094 0.002 0.000 1.044 173 V CA 1.255 63.578 62.300 0.038 0.000 1.036 173 V CB -1.033 30.791 31.823 0.002 0.000 0.664 173 V HN 0.686 nan 8.190 nan 0.000 0.453 174 A N 0.180 123.022 122.820 0.037 0.000 1.917 174 A HA -0.049 4.277 4.320 0.009 0.000 0.219 174 A C 1.716 179.259 177.584 -0.068 0.000 1.182 174 A CA 2.025 54.097 52.037 0.057 0.000 0.633 174 A CB -0.442 18.700 19.000 0.237 0.000 0.819 174 A HN 0.751 nan 8.150 nan 0.000 0.448 175 A N -2.033 120.685 122.820 -0.170 0.000 3.165 175 A HA 0.644 4.969 4.320 0.009 0.000 0.331 175 A C 0.469 177.859 177.584 -0.323 0.000 1.034 175 A CA 0.468 52.351 52.037 -0.256 0.000 0.906 175 A CB 0.321 19.119 19.000 -0.336 0.000 1.054 175 A HN 0.352 nan 8.150 nan 0.000 0.484 176 S N -0.384 115.165 115.700 -0.253 0.000 1.984 176 S HA 0.066 4.541 4.470 0.009 0.000 0.220 176 S C 0.299 174.816 174.600 -0.137 0.000 0.849 176 S CA 0.075 58.115 58.200 -0.267 0.000 1.653 176 S CB -0.274 62.623 63.200 -0.505 0.000 1.163 176 S HN 0.687 nan 8.310 nan 0.000 0.522 177 K N 1.172 121.521 120.400 -0.083 0.000 3.077 177 K HA -0.126 4.199 4.320 0.009 0.000 0.264 177 K C -2.896 173.702 176.600 -0.003 0.000 1.008 177 K CA 0.861 57.135 56.287 -0.023 0.000 0.740 177 K CB -1.377 31.102 32.500 -0.036 0.000 1.273 177 K HN 0.390 nan 8.250 nan 0.000 0.477 178 P HA -0.069 nan 4.420 nan 0.000 0.267 178 P C 0.067 177.460 177.300 0.154 0.000 1.209 178 P CA 0.470 63.569 63.100 -0.001 0.000 0.763 178 P CB 0.860 32.462 31.700 -0.164 0.000 0.816 179 E N 1.494 121.696 120.200 0.004 0.000 2.170 179 E HA -0.005 4.350 4.350 0.009 0.000 0.191 179 E C 0.077 176.551 176.600 -0.210 0.000 0.981 179 E CA 0.951 57.230 56.400 -0.202 0.000 0.830 179 E CB -0.063 29.314 29.700 -0.539 0.000 0.775 179 E HN 0.432 nan 8.360 nan 0.000 0.470 180 F N -0.423 119.712 119.950 0.308 0.000 2.579 180 F HA 0.259 4.791 4.527 0.009 0.000 0.324 180 F C 0.869 176.905 175.800 0.393 0.000 1.058 180 F CA -1.135 57.048 58.000 0.306 0.000 0.944 180 F CB 0.944 40.039 39.000 0.158 0.000 1.245 180 F HN -0.230 nan 8.300 nan 0.000 0.477 181 I N 0.827 121.786 120.570 0.647 0.000 3.226 181 I HA 0.061 4.236 4.170 0.009 0.000 0.277 181 I C -0.204 176.024 176.117 0.185 0.000 1.243 181 I CA 0.958 62.505 61.300 0.413 0.000 1.459 181 I CB -0.410 37.872 38.000 0.470 0.000 1.093 181 I HN 0.640 nan 8.210 nan 0.000 0.453 182 K N 0.297 120.814 120.400 0.196 0.000 2.551 182 K HA 0.439 4.764 4.320 0.009 0.000 0.269 182 K C -2.817 173.840 176.600 0.095 0.000 0.949 182 K CA -1.412 54.938 56.287 0.106 0.000 0.849 182 K CB 1.115 33.651 32.500 0.060 0.000 1.411 182 K HN -0.385 nan 8.250 nan 0.000 0.432 183 P HA -0.006 nan 4.420 nan 0.000 0.239 183 P C -0.114 177.183 177.300 -0.005 0.000 1.184 183 P CA 0.779 63.918 63.100 0.065 0.000 0.760 183 P CB 0.212 31.951 31.700 0.064 0.000 0.884 184 E N -1.059 119.116 120.200 -0.042 0.000 2.340 184 E HA -0.034 4.321 4.350 0.009 0.000 0.198 184 E C 1.231 177.730 176.600 -0.168 0.000 0.961 184 E CA 0.296 56.649 56.400 -0.079 0.000 0.905 184 E CB -0.578 29.094 29.700 -0.047 0.000 0.884 184 E HN 0.082 nan 8.360 nan 0.000 0.491 185 D N 0.869 121.131 120.400 -0.230 0.000 2.357 185 D HA -0.100 4.545 4.640 0.009 0.000 0.216 185 D C 0.206 176.052 176.300 -0.757 0.000 0.973 185 D CA 0.456 54.221 54.000 -0.391 0.000 0.912 185 D CB -0.477 40.130 40.800 -0.322 0.000 0.900 185 D HN 0.097 nan 8.370 nan 0.000 0.501 186 V N -0.221 119.267 119.914 -0.710 0.000 2.583 186 V HA -0.089 4.037 4.120 0.009 0.000 0.302 186 V C 0.864 176.770 176.094 -0.314 0.000 1.033 186 V CA -0.691 61.243 62.300 -0.609 0.000 1.194 186 V CB 0.008 31.725 31.823 -0.176 0.000 0.879 186 V HN 0.026 nan 8.190 nan 0.000 0.482 187 S N 4.542 120.125 115.700 -0.196 0.000 3.184 187 S HA 0.129 4.604 4.470 0.009 0.000 0.376 187 S C 1.578 176.168 174.600 -0.016 0.000 1.163 187 S CA -0.012 58.169 58.200 -0.032 0.000 1.314 187 S CB -0.330 62.924 63.200 0.089 0.000 0.962 187 S HN 1.658 nan 8.310 nan 0.000 0.543 188 A N 3.745 126.545 122.820 -0.034 0.000 2.234 188 A HA 0.029 4.355 4.320 0.009 0.000 0.216 188 A C 1.994 179.581 177.584 0.005 0.000 1.167 188 A CA 1.802 53.826 52.037 -0.021 0.000 0.698 188 A CB -0.820 18.164 19.000 -0.027 0.000 0.779 188 A HN 1.035 nan 8.150 nan 0.000 0.475 189 E N -1.564 118.647 120.200 0.019 0.000 2.244 189 E HA 0.185 4.540 4.350 0.009 0.000 0.196 189 E C 1.868 178.495 176.600 0.045 0.000 0.939 189 E CA 0.805 57.223 56.400 0.031 0.000 0.884 189 E CB -0.885 28.832 29.700 0.030 0.000 0.850 189 E HN 0.430 nan 8.360 nan 0.000 0.481 190 V N 0.378 120.329 119.914 0.061 0.000 3.026 190 V HA -0.147 3.978 4.120 0.009 0.000 0.265 190 V C 2.005 178.144 176.094 0.076 0.000 1.121 190 V CA 1.842 64.193 62.300 0.086 0.000 1.142 190 V CB 0.080 31.988 31.823 0.141 0.000 0.730 190 V HN 0.470 nan 8.190 nan 0.000 0.503 191 V N -1.378 118.571 119.914 0.059 0.000 3.307 191 V HA 0.081 4.207 4.120 0.009 0.000 0.244 191 V C 2.007 178.140 176.094 0.064 0.000 1.196 191 V CA 0.919 63.248 62.300 0.049 0.000 1.132 191 V CB 0.305 32.150 31.823 0.036 0.000 0.875 191 V HN 0.523 nan 8.190 nan 0.000 0.468 192 E N 0.144 120.379 120.200 0.058 0.000 2.516 192 E HA -0.178 4.177 4.350 0.009 0.000 0.199 192 E C 1.794 178.457 176.600 0.106 0.000 1.069 192 E CA 0.774 57.225 56.400 0.086 0.000 0.876 192 E CB 0.271 30.002 29.700 0.051 0.000 0.843 192 E HN 0.391 nan 8.360 nan 0.000 0.530 193 K N -0.479 119.964 120.400 0.072 0.000 2.511 193 K HA 0.023 4.349 4.320 0.009 0.000 0.206 193 K C 1.401 178.000 176.600 -0.002 0.000 1.333 193 K CA 0.503 56.810 56.287 0.033 0.000 0.957 193 K CB 0.393 32.906 32.500 0.023 0.000 1.172 193 K HN -0.038 nan 8.250 nan 0.000 0.547 194 E N -0.717 119.479 120.200 -0.007 0.000 2.427 194 E HA -0.131 4.224 4.350 0.009 0.000 0.196 194 E C 1.376 177.922 176.600 -0.090 0.000 1.028 194 E CA 0.888 57.240 56.400 -0.080 0.000 0.864 194 E CB -0.164 29.447 29.700 -0.148 0.000 0.813 194 E HN 0.458 nan 8.360 nan 0.000 0.514 195 Y N -0.286 119.943 120.300 -0.119 0.000 2.503 195 Y HA 0.236 4.791 4.550 0.009 0.000 0.278 195 Y C 1.667 177.531 175.900 -0.060 0.000 1.111 195 Y CA 0.520 58.563 58.100 -0.095 0.000 1.270 195 Y CB 0.272 38.689 38.460 -0.071 0.000 1.063 195 Y HN 0.012 nan 8.280 nan 0.000 0.548 196 Q N -0.427 119.207 119.800 -0.276 0.000 2.360 196 Q HA 0.105 4.450 4.340 0.009 0.000 0.202 196 Q C 1.455 177.324 176.000 -0.218 0.000 0.915 196 Q CA 0.420 56.030 55.803 -0.322 0.000 0.943 196 Q CB 0.677 29.353 28.738 -0.103 0.000 1.064 196 Q HN 0.448 nan 8.270 nan 0.000 0.511 197 V N -1.062 118.745 119.914 -0.179 0.000 3.455 197 V HA 0.052 4.177 4.120 0.009 0.000 0.250 197 V C 1.269 177.286 176.094 -0.130 0.000 1.230 197 V CA 0.706 62.932 62.300 -0.124 0.000 1.105 197 V CB 0.484 32.261 31.823 -0.077 0.000 0.850 197 V HN 0.263 nan 8.190 nan 0.000 0.461 198 Q N -0.367 119.337 119.800 -0.160 0.000 2.432 198 Q HA 0.096 4.441 4.340 0.009 0.000 0.205 198 Q C 1.896 177.803 176.000 -0.155 0.000 0.945 198 Q CA 0.647 56.372 55.803 -0.130 0.000 0.924 198 Q CB 0.341 29.011 28.738 -0.113 0.000 1.016 198 Q HN 0.573 nan 8.270 nan 0.000 0.503 199 L N 0.630 121.693 121.223 -0.266 0.000 2.549 199 L HA -0.156 4.189 4.340 0.009 0.000 0.229 199 L C 0.506 177.282 176.870 -0.157 0.000 1.158 199 L CA 0.946 55.618 54.840 -0.280 0.000 0.842 199 L CB 0.234 41.993 42.059 -0.500 0.000 0.952 199 L HN 0.083 nan 8.230 nan 0.000 0.452 200 D N -1.010 119.317 120.400 -0.123 0.000 2.323 200 D HA -0.024 4.622 4.640 0.009 0.000 0.218 200 D C 2.122 178.389 176.300 -0.054 0.000 0.973 200 D CA 0.283 54.237 54.000 -0.076 0.000 0.890 200 D CB 0.172 40.933 40.800 -0.066 0.000 1.011 200 D HN 0.034 nan 8.370 nan 0.000 0.499 201 I N 1.315 121.851 120.570 -0.057 0.000 2.285 201 I HA -0.282 3.893 4.170 0.009 0.000 0.253 201 I C 1.921 178.018 176.117 -0.033 0.000 1.104 201 I CA 1.415 62.692 61.300 -0.039 0.000 1.372 201 I CB -1.149 36.828 38.000 -0.039 0.000 1.057 201 I HN 0.002 nan 8.210 nan 0.000 0.431 202 A N -1.888 120.910 122.820 -0.037 0.000 2.226 202 A HA 0.200 4.526 4.320 0.009 0.000 0.207 202 A C 2.107 179.678 177.584 -0.022 0.000 1.293 202 A CA -0.160 51.860 52.037 -0.028 0.000 0.968 202 A CB 0.011 18.996 19.000 -0.024 0.000 1.044 202 A HN 0.125 nan 8.150 nan 0.000 0.493 203 M N -0.314 119.268 119.600 -0.030 0.000 2.319 203 M HA -0.072 4.414 4.480 0.009 0.000 0.265 203 M C 2.094 178.385 176.300 -0.015 0.000 1.068 203 M CA 1.172 56.458 55.300 -0.024 0.000 1.118 203 M CB -0.499 32.079 32.600 -0.038 0.000 1.395 203 M HN 0.551 nan 8.290 nan 0.000 0.435 204 Q N -1.183 118.608 119.800 -0.015 0.000 2.096 204 Q HA -0.083 4.262 4.340 0.009 0.000 0.197 204 Q C 1.830 177.831 176.000 0.002 0.000 0.964 204 Q CA 1.037 56.837 55.803 -0.005 0.000 0.838 204 Q CB 0.061 28.797 28.738 -0.005 0.000 0.906 204 Q HN 0.292 nan 8.270 nan 0.000 0.444 205 S N -1.060 114.639 115.700 -0.002 0.000 2.571 205 S HA -0.096 4.379 4.470 0.009 0.000 0.245 205 S C 1.127 175.725 174.600 -0.004 0.000 0.976 205 S CA 0.975 59.174 58.200 -0.002 0.000 0.954 205 S CB -0.422 62.768 63.200 -0.016 0.000 0.756 205 S HN 0.693 nan 8.310 nan 0.000 0.535 206 G N 0.300 109.101 108.800 0.001 0.000 2.194 206 G HA2 -0.230 3.736 3.960 0.009 0.000 0.236 206 G HA3 -0.230 3.736 3.960 0.009 0.000 0.236 206 G C -0.071 174.837 174.900 0.014 0.000 0.987 206 G CA 0.003 45.107 45.100 0.006 0.000 0.635 206 G HN 0.555 nan 8.290 nan 0.000 0.520 207 K N 2.222 122.629 120.400 0.013 0.000 2.436 207 K HA 0.383 4.708 4.320 0.009 0.000 0.275 207 K C -2.169 174.443 176.600 0.020 0.000 0.999 207 K CA -0.816 55.486 56.287 0.025 0.000 0.980 207 K CB 0.703 33.215 32.500 0.019 0.000 0.919 207 K HN 0.181 nan 8.250 nan 0.000 0.484 208 P HA -0.041 nan 4.420 nan 0.000 0.276 208 P C 0.251 177.560 177.300 0.016 0.000 1.243 208 P CA -0.015 63.096 63.100 0.019 0.000 0.768 208 P CB 1.274 32.985 31.700 0.019 0.000 0.856 209 K N 3.398 123.805 120.400 0.013 0.000 2.108 209 K HA -0.308 4.017 4.320 0.009 0.000 0.217 209 K C 1.387 178.002 176.600 0.025 0.000 0.846 209 K CA 2.926 59.222 56.287 0.015 0.000 1.014 209 K CB -0.560 31.950 32.500 0.016 0.000 0.896 209 K HN 0.472 nan 8.250 nan 0.000 0.552 210 E N 0.053 120.269 120.200 0.026 0.000 2.448 210 E HA -0.160 4.195 4.350 0.009 0.000 0.203 210 E C 1.632 178.253 176.600 0.035 0.000 1.046 210 E CA 1.237 57.656 56.400 0.032 0.000 0.871 210 E CB -0.098 29.615 29.700 0.021 0.000 0.790 210 E HN 0.380 nan 8.360 nan 0.000 0.545 211 I N 0.449 121.037 120.570 0.030 0.000 2.512 211 I HA 0.034 4.209 4.170 0.009 0.000 0.247 211 I C 2.215 178.357 176.117 0.043 0.000 1.094 211 I CA 0.874 62.194 61.300 0.035 0.000 1.427 211 I CB -0.845 37.171 38.000 0.026 0.000 1.149 211 I HN 0.110 nan 8.210 nan 0.000 0.438 212 A N 0.072 122.911 122.820 0.031 0.000 1.917 212 A HA -0.287 4.038 4.320 0.009 0.000 0.219 212 A C 2.297 179.915 177.584 0.056 0.000 1.182 212 A CA 2.248 54.299 52.037 0.023 0.000 0.633 212 A CB -0.782 18.215 19.000 -0.005 0.000 0.819 212 A HN 0.459 nan 8.150 nan 0.000 0.448 213 E N -0.567 119.681 120.200 0.080 0.000 2.017 213 E HA -0.223 4.132 4.350 0.009 0.000 0.193 213 E C 2.120 178.819 176.600 0.165 0.000 0.997 213 E CA 1.735 58.235 56.400 0.167 0.000 0.804 213 E CB -0.129 29.654 29.700 0.139 0.000 0.757 213 E HN 0.583 nan 8.360 nan 0.000 0.448 214 K N -0.320 120.139 120.400 0.099 0.000 2.097 214 K HA -0.147 4.179 4.320 0.009 0.000 0.206 214 K C 2.136 178.792 176.600 0.094 0.000 1.049 214 K CA 1.453 57.789 56.287 0.081 0.000 0.933 214 K CB 0.014 32.551 32.500 0.062 0.000 0.717 214 K HN 0.160 nan 8.250 nan 0.000 0.442 215 M N -0.076 119.579 119.600 0.091 0.000 2.064 215 M HA -0.164 4.322 4.480 0.009 0.000 0.260 215 M C 2.113 178.469 176.300 0.093 0.000 1.073 215 M CA 1.328 56.679 55.300 0.084 0.000 1.124 215 M CB -0.239 32.395 32.600 0.056 0.000 1.326 215 M HN -0.007 nan 8.290 nan 0.000 0.410 216 V N 0.870 120.848 119.914 0.107 0.000 2.370 216 V HA -0.306 3.820 4.120 0.009 0.000 0.252 216 V C 2.202 178.399 176.094 0.172 0.000 1.068 216 V CA 2.426 64.807 62.300 0.135 0.000 1.061 216 V CB -1.007 30.921 31.823 0.174 0.000 0.656 216 V HN 0.567 nan 8.190 nan 0.000 0.455 217 E N 0.363 120.660 120.200 0.161 0.000 2.076 217 E HA -0.061 4.295 4.350 0.009 0.000 0.190 217 E C 2.306 178.949 176.600 0.071 0.000 0.979 217 E CA 1.107 57.550 56.400 0.073 0.000 0.807 217 E CB -0.525 29.172 29.700 -0.005 0.000 0.761 217 E HN 0.462 nan 8.360 nan 0.000 0.454 218 G N 1.120 109.972 108.800 0.087 0.000 2.469 218 G HA2 -0.365 3.601 3.960 0.009 0.000 0.219 218 G HA3 -0.365 3.601 3.960 0.009 0.000 0.219 218 G C 1.753 176.721 174.900 0.112 0.000 1.150 218 G CA 1.059 46.220 45.100 0.100 0.000 0.763 218 G HN 0.195 nan 8.290 nan 0.000 0.561 219 R N 0.058 120.625 120.500 0.112 0.000 2.075 219 R HA 0.038 4.384 4.340 0.009 0.000 0.230 219 R C 2.708 179.109 176.300 0.168 0.000 1.140 219 R CA 1.637 57.815 56.100 0.130 0.000 0.928 219 R CB -0.590 29.771 30.300 0.103 0.000 0.834 219 R HN 0.262 nan 8.270 nan 0.000 0.429 220 M N 1.371 121.044 119.600 0.122 0.000 2.195 220 M HA -0.201 4.285 4.480 0.009 0.000 0.260 220 M C 2.066 178.462 176.300 0.159 0.000 1.066 220 M CA 1.596 56.962 55.300 0.110 0.000 1.089 220 M CB -0.742 31.886 32.600 0.047 0.000 1.377 220 M HN 0.226 nan 8.290 nan 0.000 0.411 221 K N 0.806 121.278 120.400 0.119 0.000 2.097 221 K HA -0.164 4.161 4.320 0.009 0.000 0.206 221 K C 1.682 178.366 176.600 0.140 0.000 1.049 221 K CA 1.277 57.629 56.287 0.108 0.000 0.933 221 K CB 0.011 32.559 32.500 0.080 0.000 0.717 221 K HN 0.225 nan 8.250 nan 0.000 0.442 222 K N -0.055 120.443 120.400 0.164 0.000 2.098 222 K HA -0.029 4.296 4.320 0.009 0.000 0.203 222 K C 2.087 178.797 176.600 0.183 0.000 1.051 222 K CA 0.467 56.847 56.287 0.154 0.000 0.957 222 K CB -0.547 32.037 32.500 0.139 0.000 0.738 222 K HN 0.082 nan 8.250 nan 0.000 0.447 223 F N 2.180 122.175 119.950 0.075 0.000 2.063 223 F HA -0.405 4.128 4.527 0.009 0.000 0.297 223 F C 2.728 178.586 175.800 0.097 0.000 1.099 223 F CA 2.573 60.622 58.000 0.081 0.000 1.220 223 F CB -0.503 38.547 39.000 0.084 0.000 0.972 223 F HN 0.168 nan 8.300 nan 0.000 0.487 224 T N -1.132 113.616 114.554 0.324 0.000 2.643 224 T HA -0.026 4.329 4.350 0.009 0.000 0.256 224 T C 2.284 177.079 174.700 0.158 0.000 1.061 224 T CA 1.793 64.036 62.100 0.240 0.000 1.163 224 T CB -1.281 67.708 68.868 0.201 0.000 0.865 224 T HN 0.378 nan 8.240 nan 0.000 0.407 225 G N 1.164 110.043 108.800 0.132 0.000 2.679 225 G HA2 -0.346 3.619 3.960 0.009 0.000 0.222 225 G HA3 -0.346 3.619 3.960 0.009 0.000 0.222 225 G C 1.592 176.544 174.900 0.087 0.000 1.164 225 G CA 1.512 46.673 45.100 0.100 0.000 0.769 225 G HN 0.726 nan 8.290 nan 0.000 0.610 226 E N -0.646 119.597 120.200 0.071 0.000 2.072 226 E HA -0.004 4.351 4.350 0.009 0.000 0.190 226 E C 2.265 178.884 176.600 0.031 0.000 0.982 226 E CA 0.726 57.153 56.400 0.045 0.000 0.803 226 E CB -0.203 29.510 29.700 0.021 0.000 0.755 226 E HN 0.268 nan 8.360 nan 0.000 0.453 227 V N 1.500 121.424 119.914 0.018 0.000 3.611 227 V HA -0.014 4.111 4.120 0.009 0.000 0.281 227 V C -0.570 175.567 176.094 0.071 0.000 1.247 227 V CA 0.423 62.725 62.300 0.003 0.000 1.198 227 V CB -0.474 31.315 31.823 -0.056 0.000 0.977 227 V HN 0.027 nan 8.190 nan 0.000 0.445 228 S N -0.003 115.757 115.700 0.100 0.000 2.594 228 S HA 0.385 4.861 4.470 0.009 0.000 0.296 228 S C 0.369 175.006 174.600 0.061 0.000 1.124 228 S CA -0.532 57.751 58.200 0.137 0.000 1.011 228 S CB 1.793 65.106 63.200 0.188 0.000 1.016 228 S HN 0.289 nan 8.310 nan 0.000 0.485 229 L N 2.228 123.444 121.223 -0.013 0.000 2.369 229 L HA -0.214 4.132 4.340 0.009 0.000 0.220 229 L C 2.020 178.838 176.870 -0.086 0.000 1.119 229 L CA 1.347 56.121 54.840 -0.110 0.000 0.780 229 L CB -0.324 41.548 42.059 -0.312 0.000 0.906 229 L HN 0.772 nan 8.230 nan 0.000 0.442 230 T N -1.086 113.458 114.554 -0.017 0.000 2.643 230 T HA -0.076 4.280 4.350 0.009 0.000 0.256 230 T C 1.166 175.870 174.700 0.008 0.000 1.061 230 T CA 1.249 63.343 62.100 -0.009 0.000 1.163 230 T CB -0.337 68.544 68.868 0.022 0.000 0.865 230 T HN 0.511 nan 8.240 nan 0.000 0.407 231 G N 1.824 110.649 108.800 0.040 0.000 3.574 231 G HA2 0.266 4.231 3.960 0.009 0.000 0.262 231 G HA3 0.266 4.231 3.960 0.009 0.000 0.262 231 G C -0.204 174.739 174.900 0.072 0.000 1.231 231 G CA -0.185 44.949 45.100 0.056 0.000 1.608 231 G HN 0.420 nan 8.290 nan 0.000 0.628 232 Q N 1.427 121.274 119.800 0.080 0.000 2.401 232 Q HA 0.207 4.553 4.340 0.009 0.000 0.260 232 Q C -2.491 173.638 176.000 0.216 0.000 1.034 232 Q CA -2.224 53.673 55.803 0.157 0.000 0.737 232 Q CB 2.715 31.617 28.738 0.274 0.000 1.227 232 Q HN 0.162 nan 8.270 nan 0.000 0.488 233 P HA -0.180 nan 4.420 nan 0.000 0.258 233 P C -0.298 177.195 177.300 0.321 0.000 1.172 233 P CA 0.527 63.742 63.100 0.191 0.000 0.762 233 P CB 0.099 31.876 31.700 0.128 0.000 0.764 234 F N 4.330 124.357 119.950 0.128 0.000 2.628 234 F HA -0.093 4.440 4.527 0.009 0.000 0.362 234 F C 1.574 177.527 175.800 0.254 0.000 1.148 234 F CA -0.008 58.102 58.000 0.183 0.000 1.352 234 F CB 0.846 39.871 39.000 0.042 0.000 1.081 234 F HN 0.110 nan 8.300 nan 0.000 0.605 235 V N 7.290 126.907 119.914 -0.495 0.000 3.461 235 V HA -0.103 4.022 4.120 0.009 0.000 0.267 235 V C 1.195 176.929 176.094 -0.601 0.000 1.186 235 V CA 1.428 63.446 62.300 -0.470 0.000 1.154 235 V CB -0.435 31.198 31.823 -0.318 0.000 0.802 235 V HN 0.938 nan 8.190 nan 0.000 0.474 236 M N -0.822 117.968 119.600 -1.351 0.000 2.306 236 M HA 0.327 4.812 4.480 0.009 0.000 0.292 236 M C 0.214 176.475 176.300 -0.064 0.000 1.018 236 M CA 0.190 55.148 55.300 -0.569 0.000 1.007 236 M CB 0.940 33.153 32.600 -0.645 0.000 1.510 236 M HN 0.148 nan 8.290 nan 0.000 0.537 237 E N -0.072 120.098 120.200 -0.050 0.000 3.364 237 E HA 0.154 4.509 4.350 0.009 0.000 0.305 237 E C -2.086 174.621 176.600 0.177 0.000 1.141 237 E CA -0.952 55.558 56.400 0.184 0.000 1.079 237 E CB 0.631 30.526 29.700 0.325 0.000 1.343 237 E HN -0.057 nan 8.360 nan 0.000 0.391 238 P HA -0.206 nan 4.420 nan 0.000 0.220 238 P C 0.842 178.214 177.300 0.120 0.000 1.144 238 P CA 1.120 64.287 63.100 0.113 0.000 0.800 238 P CB 0.129 31.887 31.700 0.097 0.000 0.772 239 S N -0.540 115.230 115.700 0.115 0.000 2.595 239 S HA -0.064 4.411 4.470 0.009 0.000 0.235 239 S C 0.873 175.528 174.600 0.091 0.000 0.974 239 S CA 0.231 58.486 58.200 0.093 0.000 0.942 239 S CB -0.935 62.312 63.200 0.078 0.000 0.766 239 S HN 0.427 nan 8.310 nan 0.000 0.536 240 K N 0.716 121.188 120.400 0.119 0.000 2.525 240 K HA 0.350 4.675 4.320 0.009 0.000 0.254 240 K C -0.621 176.056 176.600 0.128 0.000 0.934 240 K CA -0.734 55.616 56.287 0.106 0.000 0.802 240 K CB 1.242 33.800 32.500 0.096 0.000 1.295 240 K HN 0.052 nan 8.250 nan 0.000 0.433 241 T N -1.155 113.452 114.554 0.088 0.000 2.802 241 T HA 0.070 4.425 4.350 0.009 0.000 0.305 241 T C 1.406 176.123 174.700 0.029 0.000 1.053 241 T CA -0.551 61.594 62.100 0.075 0.000 1.058 241 T CB 0.849 69.747 68.868 0.049 0.000 0.988 241 T HN 0.356 nan 8.240 nan 0.000 0.539 242 V N 2.532 122.419 119.914 -0.045 0.000 2.913 242 V HA 0.016 4.141 4.120 0.009 0.000 0.260 242 V C 2.836 178.863 176.094 -0.113 0.000 1.098 242 V CA 1.781 63.982 62.300 -0.165 0.000 1.121 242 V CB -1.759 29.849 31.823 -0.359 0.000 0.714 242 V HN 1.118 nan 8.190 nan 0.000 0.487 243 G N 0.403 109.169 108.800 -0.057 0.000 2.514 243 G HA2 -0.399 3.566 3.960 0.009 0.000 0.217 243 G HA3 -0.399 3.566 3.960 0.009 0.000 0.217 243 G C 1.521 176.403 174.900 -0.030 0.000 1.198 243 G CA 1.369 46.450 45.100 -0.033 0.000 0.780 243 G HN 0.588 nan 8.290 nan 0.000 0.565 244 Q N -0.286 119.504 119.800 -0.017 0.000 2.212 244 Q HA 0.150 4.496 4.340 0.009 0.000 0.199 244 Q C 2.298 178.285 176.000 -0.022 0.000 0.950 244 Q CA 0.557 56.351 55.803 -0.014 0.000 0.863 244 Q CB -0.378 28.359 28.738 -0.001 0.000 0.944 244 Q HN 0.349 nan 8.270 nan 0.000 0.465 245 L N 0.166 121.368 121.223 -0.035 0.000 2.127 245 L HA -0.128 4.217 4.340 0.009 0.000 0.211 245 L C 1.677 178.522 176.870 -0.042 0.000 1.089 245 L CA 1.488 56.295 54.840 -0.054 0.000 0.757 245 L CB -0.518 41.430 42.059 -0.186 0.000 0.899 245 L HN 0.471 nan 8.230 nan 0.000 0.434 246 L N 0.082 121.261 121.223 -0.074 0.000 2.102 246 L HA -0.054 4.291 4.340 0.009 0.000 0.202 246 L C 2.544 179.404 176.870 -0.015 0.000 1.076 246 L CA 1.433 56.237 54.840 -0.060 0.000 0.761 246 L CB -0.629 41.381 42.059 -0.083 0.000 0.921 246 L HN 0.056 nan 8.230 nan 0.000 0.444 247 K N 0.236 120.623 120.400 -0.022 0.000 2.211 247 K HA -0.160 4.166 4.320 0.009 0.000 0.203 247 K C 1.893 178.477 176.600 -0.025 0.000 1.050 247 K CA 1.352 57.628 56.287 -0.018 0.000 0.945 247 K CB -0.092 32.397 32.500 -0.019 0.000 0.732 247 K HN 0.689 nan 8.250 nan 0.000 0.451 248 E N -0.770 119.409 120.200 -0.035 0.000 2.107 248 E HA -0.089 4.266 4.350 0.009 0.000 0.191 248 E C 0.541 177.045 176.600 -0.161 0.000 0.982 248 E CA 0.683 57.028 56.400 -0.090 0.000 0.809 248 E CB -0.164 29.474 29.700 -0.104 0.000 0.756 248 E HN 0.222 nan 8.360 nan 0.000 0.459 249 H N 1.131 120.159 119.070 -0.071 0.000 2.508 249 H HA 0.084 4.645 4.556 0.009 0.000 0.358 249 H C 0.884 176.176 175.328 -0.060 0.000 1.212 249 H CA 0.428 56.433 56.048 -0.071 0.000 1.356 249 H CB 0.951 30.655 29.762 -0.095 0.000 1.525 249 H HN 0.343 nan 8.280 nan 0.000 0.578 250 N N 0.162 118.908 118.700 0.078 0.000 2.519 250 N HA -0.046 4.699 4.740 0.009 0.000 0.186 250 N C 0.697 176.215 175.510 0.013 0.000 1.062 250 N CA 0.167 53.231 53.050 0.024 0.000 0.910 250 N CB 0.442 38.939 38.487 0.017 0.000 0.958 250 N HN 0.331 nan 8.380 nan 0.000 0.445 251 A N 1.019 123.848 122.820 0.015 0.000 2.450 251 A HA 0.536 4.862 4.320 0.009 0.000 0.281 251 A C -0.035 177.541 177.584 -0.013 0.000 1.372 251 A CA -0.149 51.883 52.037 -0.008 0.000 0.886 251 A CB 0.696 19.678 19.000 -0.029 0.000 1.462 251 A HN 0.352 nan 8.150 nan 0.000 0.514 252 E N -2.192 117.998 120.200 -0.017 0.000 2.431 252 E HA 0.397 4.753 4.350 0.009 0.000 0.287 252 E C -1.527 175.069 176.600 -0.006 0.000 1.032 252 E CA -0.349 56.043 56.400 -0.012 0.000 0.839 252 E CB 1.182 30.880 29.700 -0.002 0.000 1.218 252 E HN 1.281 nan 8.360 nan 0.000 0.424 253 V N 2.074 121.989 119.914 0.001 0.000 2.394 253 V HA 0.549 4.674 4.120 0.009 0.000 0.282 253 V C 0.986 177.113 176.094 0.056 0.000 1.031 253 V CA 0.292 62.607 62.300 0.024 0.000 0.881 253 V CB 0.961 32.798 31.823 0.023 0.000 0.982 253 V HN 0.916 nan 8.190 nan 0.000 0.451 254 T N 2.693 117.280 114.554 0.054 0.000 2.995 254 T HA 0.373 4.728 4.350 0.009 0.000 0.269 254 T C 0.808 175.555 174.700 0.078 0.000 1.091 254 T CA 1.316 63.449 62.100 0.055 0.000 1.128 254 T CB -0.621 68.271 68.868 0.039 0.000 0.891 254 T HN 1.816 nan 8.240 nan 0.000 0.492 255 G N -0.020 108.852 108.800 0.119 0.000 2.328 255 G HA2 0.457 4.422 3.960 0.009 0.000 0.295 255 G HA3 0.457 4.422 3.960 0.009 0.000 0.295 255 G C -1.666 173.381 174.900 0.245 0.000 1.413 255 G CA -0.553 44.638 45.100 0.151 0.000 0.817 255 G HN 0.651 nan 8.290 nan 0.000 0.546 256 F N -1.469 118.471 119.950 -0.017 0.000 2.668 256 F HA 0.871 5.403 4.527 0.009 0.000 0.309 256 F C -1.568 174.184 175.800 -0.080 0.000 1.117 256 F CA -1.507 56.471 58.000 -0.036 0.000 0.951 256 F CB 1.841 40.833 39.000 -0.014 0.000 1.323 256 F HN 0.461 nan 8.300 nan 0.000 0.451 257 I N 3.159 123.685 120.570 -0.074 0.000 2.531 257 I HA 0.338 4.513 4.170 0.009 0.000 0.283 257 I C -1.219 174.766 176.117 -0.219 0.000 1.083 257 I CA -0.563 60.569 61.300 -0.279 0.000 1.071 257 I CB 1.921 39.720 38.000 -0.336 0.000 1.210 257 I HN 0.836 nan 8.210 nan 0.000 0.450 258 R N 5.764 126.140 120.500 -0.207 0.000 2.371 258 R HA 0.626 4.971 4.340 0.009 0.000 0.312 258 R C -1.794 174.443 176.300 -0.106 0.000 0.980 258 R CA -0.281 55.768 56.100 -0.086 0.000 0.867 258 R CB 0.582 30.930 30.300 0.079 0.000 1.163 258 R HN 0.182 nan 8.270 nan 0.000 0.492 259 F N 1.445 121.408 119.950 0.023 0.000 2.404 259 F HA 0.348 4.881 4.527 0.009 0.000 0.339 259 F C 0.637 176.443 175.800 0.011 0.000 1.105 259 F CA -0.651 57.353 58.000 0.008 0.000 1.087 259 F CB 1.852 40.852 39.000 -0.001 0.000 1.143 259 F HN 0.521 nan 8.300 nan 0.000 0.491 260 E N 3.034 123.369 120.200 0.226 0.000 2.185 260 E HA 0.270 4.626 4.350 0.009 0.000 0.261 260 E C -1.102 175.540 176.600 0.070 0.000 0.879 260 E CA -0.739 55.730 56.400 0.116 0.000 0.756 260 E CB 1.899 31.645 29.700 0.077 0.000 1.152 260 E HN 0.364 nan 8.360 nan 0.000 0.416 261 V N 4.255 124.194 119.914 0.042 0.000 2.621 261 V HA -0.008 4.117 4.120 0.009 0.000 0.300 261 V C 1.449 177.543 176.094 0.000 0.000 1.031 261 V CA 2.100 64.404 62.300 0.007 0.000 1.210 261 V CB 0.142 31.967 31.823 0.003 0.000 0.864 261 V HN 1.112 nan 8.190 nan 0.000 0.477 262 G N 3.348 112.142 108.800 -0.011 0.000 2.232 262 G HA2 -0.203 3.763 3.960 0.009 0.000 0.226 262 G HA3 -0.203 3.763 3.960 0.009 0.000 0.226 262 G C 0.070 174.969 174.900 -0.001 0.000 0.996 262 G CA 0.070 45.163 45.100 -0.010 0.000 0.626 262 G HN 0.693 nan 8.290 nan 0.000 0.509 263 E N 0.341 120.548 120.200 0.013 0.000 2.653 263 E HA 0.286 4.641 4.350 0.009 0.000 0.264 263 E C 1.550 178.160 176.600 0.015 0.000 0.949 263 E CA 1.449 57.863 56.400 0.023 0.000 0.953 263 E CB 0.060 29.791 29.700 0.051 0.000 0.925 263 E HN 1.484 nan 8.360 nan 0.000 0.475 264 G N 3.115 111.924 108.800 0.015 0.000 2.640 264 G HA2 -0.342 3.623 3.960 0.009 0.000 0.226 264 G HA3 -0.342 3.623 3.960 0.009 0.000 0.226 264 G C 0.463 175.367 174.900 0.007 0.000 1.222 264 G CA 0.135 45.243 45.100 0.013 0.000 0.729 264 G HN 0.556 nan 8.290 nan 0.000 0.516 265 I N 1.645 122.217 120.570 0.002 0.000 2.815 265 I HA 0.125 4.300 4.170 0.009 0.000 0.291 265 I C 1.679 177.797 176.117 0.001 0.000 1.209 265 I CA 0.067 61.367 61.300 -0.000 0.000 1.431 265 I CB 0.536 38.533 38.000 -0.005 0.000 1.351 265 I HN 0.145 nan 8.210 nan 0.000 0.585 266 E N 3.294 123.495 120.200 0.002 0.000 2.042 266 E HA -0.113 4.242 4.350 0.009 0.000 0.189 266 E C 0.516 177.116 176.600 0.001 0.000 0.974 266 E CA 0.424 56.826 56.400 0.003 0.000 0.806 266 E CB 0.093 29.796 29.700 0.005 0.000 0.769 266 E HN 0.485 nan 8.360 nan 0.000 0.451 267 K N 1.465 121.865 120.400 0.000 0.000 5.502 267 K HA -0.168 4.158 4.320 0.009 0.000 0.379 267 K C -0.726 175.875 176.600 0.002 0.000 0.908 267 K CA 0.304 56.591 56.287 -0.001 0.000 1.130 267 K CB -1.803 30.694 32.500 -0.005 0.000 1.893 267 K HN 0.001 nan 8.250 nan 0.000 0.379 268 V N 2.834 122.751 119.914 0.004 0.000 2.788 268 V HA 0.066 4.191 4.120 0.009 0.000 0.307 268 V C 0.678 176.776 176.094 0.008 0.000 1.069 268 V CA 0.457 62.761 62.300 0.006 0.000 1.173 268 V CB 0.586 32.413 31.823 0.008 0.000 0.925 268 V HN 0.836 nan 8.190 nan 0.000 0.492 269 E N 4.696 124.901 120.200 0.008 0.000 2.384 269 E HA 0.212 4.567 4.350 0.009 0.000 0.266 269 E C -0.080 176.531 176.600 0.018 0.000 1.012 269 E CA 0.503 56.910 56.400 0.010 0.000 0.901 269 E CB 0.880 30.585 29.700 0.008 0.000 0.967 269 E HN 0.942 nan 8.360 nan 0.000 0.435 270 T N 2.997 117.566 114.554 0.025 0.000 2.902 270 T HA 0.370 4.725 4.350 0.009 0.000 0.283 270 T C -1.210 173.525 174.700 0.060 0.000 1.009 270 T CA -0.778 61.348 62.100 0.044 0.000 1.051 270 T CB 0.812 69.710 68.868 0.050 0.000 0.999 270 T HN 0.503 nan 8.240 nan 0.000 0.474 271 D N 3.679 124.127 120.400 0.079 0.000 2.346 271 D HA 0.234 4.880 4.640 0.009 0.000 0.255 271 D C 0.438 176.818 176.300 0.134 0.000 1.276 271 D CA -0.721 53.331 54.000 0.086 0.000 0.941 271 D CB -0.018 40.807 40.800 0.040 0.000 1.199 271 D HN 0.387 nan 8.370 nan 0.000 0.537 272 F N 3.229 123.182 119.950 0.005 0.000 2.192 272 F HA -0.118 4.414 4.527 0.008 0.000 0.301 272 F C 1.795 177.599 175.800 0.005 0.000 1.079 272 F CA 1.680 59.687 58.000 0.012 0.000 1.303 272 F CB -0.152 38.868 39.000 0.033 0.000 1.024 272 F HN 0.441 nan 8.300 nan 0.000 0.494 273 A N 0.109 122.915 122.820 -0.024 0.000 1.832 273 A HA 0.045 4.370 4.320 0.009 0.000 0.214 273 A C 2.446 179.952 177.584 -0.131 0.000 1.200 273 A CA 1.758 53.721 52.037 -0.123 0.000 0.610 273 A CB -1.586 17.375 19.000 -0.064 0.000 0.842 273 A HN 0.385 nan 8.150 nan 0.000 0.444 274 A N -0.513 122.266 122.820 -0.069 0.000 2.019 274 A HA -0.146 4.179 4.320 0.009 0.000 0.219 274 A C 1.977 179.524 177.584 -0.062 0.000 1.164 274 A CA 1.824 53.828 52.037 -0.054 0.000 0.644 274 A CB -0.530 18.453 19.000 -0.029 0.000 0.805 274 A HN 0.717 nan 8.150 nan 0.000 0.449 275 E N -0.502 119.656 120.200 -0.069 0.000 2.150 275 E HA -0.102 4.253 4.350 0.009 0.000 0.193 275 E C 1.660 178.195 176.600 -0.109 0.000 0.985 275 E CA 1.254 57.619 56.400 -0.057 0.000 0.814 275 E CB -0.063 29.636 29.700 -0.002 0.000 0.752 275 E HN 0.318 nan 8.360 nan 0.000 0.466 276 V N -0.185 119.599 119.914 -0.217 0.000 3.052 276 V HA 0.133 4.259 4.120 0.009 0.000 0.254 276 V C 1.936 177.949 176.094 -0.136 0.000 1.100 276 V CA 1.299 63.454 62.300 -0.241 0.000 1.112 276 V CB 0.249 31.801 31.823 -0.452 0.000 0.738 276 V HN 0.411 nan 8.190 nan 0.000 0.469 277 A N 0.135 122.894 122.820 -0.101 0.000 1.897 277 A HA 0.133 4.458 4.320 0.009 0.000 0.215 277 A C 2.284 179.878 177.584 0.018 0.000 1.181 277 A CA 1.700 53.727 52.037 -0.017 0.000 0.620 277 A CB -0.710 18.272 19.000 -0.031 0.000 0.821 277 A HN 0.789 nan 8.150 nan 0.000 0.443 278 A N -1.086 121.726 122.820 -0.013 0.000 2.123 278 A HA 0.175 4.501 4.320 0.009 0.000 0.214 278 A C 2.075 179.652 177.584 -0.012 0.000 1.152 278 A CA 1.217 53.252 52.037 -0.002 0.000 0.728 278 A CB -0.443 18.551 19.000 -0.011 0.000 0.814 278 A HN 0.596 nan 8.150 nan 0.000 0.464 279 M N 0.328 119.907 119.600 -0.035 0.000 2.236 279 M HA -0.087 4.398 4.480 0.009 0.000 0.266 279 M C 1.791 178.050 176.300 -0.069 0.000 1.070 279 M CA 1.911 57.181 55.300 -0.051 0.000 1.137 279 M CB 0.016 32.576 32.600 -0.067 0.000 1.378 279 M HN 0.437 nan 8.290 nan 0.000 0.426 280 S N -0.936 114.712 115.700 -0.086 0.000 2.605 280 S HA 0.059 4.534 4.470 0.009 0.000 0.217 280 S C 1.512 176.041 174.600 -0.119 0.000 0.958 280 S CA -0.181 57.904 58.200 -0.192 0.000 0.919 280 S CB -0.371 62.617 63.200 -0.354 0.000 0.780 280 S HN 0.478 nan 8.310 nan 0.000 0.507 281 K N 0.756 121.185 120.400 0.047 0.000 2.515 281 K HA -0.063 4.262 4.320 0.009 0.000 0.196 281 K C 2.002 178.629 176.600 0.044 0.000 1.038 281 K CA 0.804 57.158 56.287 0.111 0.000 0.967 281 K CB -0.008 32.532 32.500 0.068 0.000 0.780 281 K HN 0.451 nan 8.250 nan 0.000 0.483 282 Q N -0.349 119.443 119.800 -0.014 0.000 2.165 282 Q HA 0.027 4.372 4.340 0.009 0.000 0.197 282 Q C 1.676 177.651 176.000 -0.041 0.000 0.952 282 Q CA 1.432 57.220 55.803 -0.024 0.000 0.848 282 Q CB -0.060 28.656 28.738 -0.036 0.000 0.931 282 Q HN 0.072 nan 8.270 nan 0.000 0.470 283 S N -0.867 114.771 115.700 -0.104 0.000 2.593 283 S HA 0.028 4.503 4.470 0.009 0.000 0.217 283 S C 0.890 175.407 174.600 -0.138 0.000 0.966 283 S CA -0.127 57.996 58.200 -0.128 0.000 0.914 283 S CB -0.229 62.869 63.200 -0.169 0.000 0.776 283 S HN 0.475 nan 8.310 nan 0.000 0.523 284 H N -0.193 118.864 119.070 -0.022 0.000 2.551 284 H HA 0.262 4.824 4.556 0.009 0.000 0.266 284 H C 1.022 176.341 175.328 -0.014 0.000 0.977 284 H CA 0.577 56.614 56.048 -0.018 0.000 1.163 284 H CB 0.114 29.866 29.762 -0.018 0.000 1.381 284 H HN 0.401 nan 8.280 nan 0.000 0.581 285 M N 0.101 119.750 119.600 0.082 0.000 2.419 285 M HA 0.140 4.626 4.480 0.009 0.000 0.252 285 M C -0.113 176.201 176.300 0.022 0.000 1.143 285 M CA 0.056 55.383 55.300 0.045 0.000 0.985 285 M CB 0.315 32.933 32.600 0.029 0.000 1.489 285 M HN -0.152 nan 8.290 nan 0.000 0.484 291 E N 1.439 121.633 120.200 -0.011 0.000 2.282 291 E HA 0.500 4.855 4.350 0.009 0.000 0.247 291 E C 0.419 177.001 176.600 -0.031 0.000 1.113 291 E CA -0.110 56.276 56.400 -0.022 0.000 1.095 291 E CB 0.455 30.142 29.700 -0.023 0.000 1.328 291 E HN 0.398 nan 8.360 nan 0.000 0.463 292 R N 0.360 120.847 120.500 -0.021 0.000 2.437 292 R HA 0.146 4.491 4.340 0.009 0.000 0.257 292 R C 1.382 177.669 176.300 -0.022 0.000 0.927 292 R CA 0.458 56.551 56.100 -0.013 0.000 1.078 292 R CB 0.274 30.583 30.300 0.015 0.000 1.161 292 R HN 0.307 nan 8.270 nan 0.000 0.529 293 T N 0.626 115.159 114.554 -0.036 0.000 3.148 293 T HA 0.019 4.375 4.350 0.009 0.000 0.253 293 T C 0.168 174.816 174.700 -0.087 0.000 1.134 293 T CA -0.042 62.035 62.100 -0.039 0.000 1.051 293 T CB -0.114 68.740 68.868 -0.022 0.000 0.959 293 T HN 0.163 nan 8.240 nan 0.000 0.525 294 K N 2.604 122.919 120.400 -0.142 0.000 2.339 294 K HA 0.287 4.613 4.320 0.009 0.000 0.286 294 K C -2.671 173.725 176.600 -0.339 0.000 1.050 294 K CA -1.729 54.440 56.287 -0.197 0.000 0.956 294 K CB 0.361 32.751 32.500 -0.183 0.000 0.990 294 K HN 0.063 nan 8.250 nan 0.000 0.475 295 P HA -0.112 nan 4.420 nan 0.000 0.264 295 P C -0.712 176.402 177.300 -0.311 0.000 1.179 295 P CA 0.299 63.272 63.100 -0.211 0.000 0.763 295 P CB 0.264 31.900 31.700 -0.106 0.000 0.806 296 H N 1.230 120.294 119.070 -0.011 0.000 2.508 296 H HA 0.209 4.772 4.556 0.011 0.000 0.224 296 H C -0.168 175.141 175.328 -0.031 0.000 1.723 296 H CA -0.526 55.514 56.048 -0.013 0.000 1.251 296 H CB -0.107 29.672 29.762 0.029 0.000 1.627 296 H HN 0.083 nan 8.280 nan 0.000 0.543 297 V N 3.994 123.926 119.914 0.029 0.000 2.439 297 V HA -0.055 4.070 4.120 0.009 0.000 0.271 297 V C 0.448 176.634 176.094 0.153 0.000 1.040 297 V CA -0.502 61.861 62.300 0.105 0.000 1.002 297 V CB -0.068 31.861 31.823 0.177 0.000 1.000 297 V HN 0.654 nan 8.190 nan 0.000 0.477 298 N N 5.006 123.757 118.700 0.085 0.000 2.492 298 N HA 0.699 5.444 4.740 0.009 0.000 0.289 298 N C -0.552 174.977 175.510 0.030 0.000 1.133 298 N CA -0.727 52.347 53.050 0.039 0.000 0.961 298 N CB 1.954 40.423 38.487 -0.031 0.000 1.186 298 N HN 0.458 nan 8.380 nan 0.000 0.493 299 V N -4.087 115.801 119.914 -0.043 0.000 3.158 299 V HA 1.019 5.145 4.120 0.009 0.000 0.311 299 V C 0.073 176.006 176.094 -0.268 0.000 1.181 299 V CA -1.009 61.218 62.300 -0.120 0.000 1.054 299 V CB 1.428 33.163 31.823 -0.147 0.000 1.085 299 V HN 0.933 nan 8.190 nan 0.000 0.446 300 G N -0.491 108.129 108.800 -0.300 0.000 2.662 300 G HA2 0.556 4.522 3.960 0.009 0.000 0.302 300 G HA3 0.556 4.522 3.960 0.009 0.000 0.302 300 G C -0.862 173.842 174.900 -0.326 0.000 1.389 300 G CA -0.164 44.728 45.100 -0.346 0.000 0.998 300 G HN 1.061 nan 8.290 nan 0.000 0.502 301 T N 0.854 115.263 114.554 -0.241 0.000 2.771 301 T HA 0.545 4.900 4.350 0.009 0.000 0.291 301 T C -0.613 174.011 174.700 -0.127 0.000 0.954 301 T CA -0.235 61.855 62.100 -0.016 0.000 1.045 301 T CB 0.461 69.524 68.868 0.325 0.000 0.917 301 T HN 0.511 nan 8.240 nan 0.000 0.484 302 I N 4.458 124.918 120.570 -0.184 0.000 2.582 302 I HA 0.846 5.021 4.170 0.009 0.000 0.292 302 I C 0.158 176.007 176.117 -0.447 0.000 1.066 302 I CA 0.298 61.407 61.300 -0.319 0.000 1.053 302 I CB 1.591 39.397 38.000 -0.325 0.000 1.241 302 I HN 0.925 nan 8.210 nan 0.000 0.421 303 G N 4.871 113.203 108.800 -0.781 0.000 2.513 303 G HA2 0.109 4.074 3.960 0.009 0.000 0.182 303 G HA3 0.109 4.074 3.960 0.009 0.000 0.182 303 G C -1.550 172.834 174.900 -0.859 0.000 1.190 303 G CA -0.738 43.810 45.100 -0.920 0.000 0.987 303 G HN 0.797 nan 8.290 nan 0.000 0.479 304 H N -0.206 118.613 119.070 -0.418 0.000 2.489 304 H HA 0.508 5.069 4.556 0.009 0.000 0.322 304 H C 1.622 176.849 175.328 -0.169 0.000 1.091 304 H CA 0.354 56.233 56.048 -0.282 0.000 1.291 304 H CB 1.825 31.224 29.762 -0.605 0.000 1.436 304 H HN 0.656 nan 8.280 nan 0.000 0.480 305 V N 3.523 123.302 119.914 -0.226 0.000 2.277 305 V HA -0.329 3.797 4.120 0.009 0.000 0.255 305 V C 0.968 177.126 176.094 0.106 0.000 1.074 305 V CA 2.831 65.099 62.300 -0.052 0.000 1.058 305 V CB -0.280 31.482 31.823 -0.102 0.000 0.656 305 V HN 1.061 nan 8.190 nan 0.000 0.449 306 D N -3.549 117.013 120.400 0.270 0.000 2.571 306 D HA 0.098 4.743 4.640 0.009 0.000 0.239 306 D C 1.093 177.561 176.300 0.280 0.000 1.267 306 D CA -0.196 53.937 54.000 0.221 0.000 0.823 306 D CB -0.638 40.264 40.800 0.170 0.000 1.056 306 D HN 0.518 nan 8.370 nan 0.000 0.494 307 H N 1.031 120.165 119.070 0.107 0.000 2.556 307 H HA 0.384 4.945 4.556 0.009 0.000 0.268 307 H C 1.355 176.707 175.328 0.040 0.000 0.996 307 H CA 0.385 56.456 56.048 0.038 0.000 1.157 307 H CB -0.098 29.684 29.762 0.034 0.000 1.355 307 H HN 0.391 nan 8.280 nan 0.000 0.597 308 G N 1.055 109.944 108.800 0.148 0.000 2.452 308 G HA2 -0.283 3.683 3.960 0.009 0.000 0.275 308 G HA3 -0.283 3.683 3.960 0.009 0.000 0.275 308 G C 0.957 175.888 174.900 0.052 0.000 1.131 308 G CA 0.194 45.339 45.100 0.075 0.000 1.031 308 G HN 0.430 nan 8.290 nan 0.000 0.511 309 K N -0.601 119.839 120.400 0.068 0.000 2.296 309 K HA -0.018 4.307 4.320 0.009 0.000 0.200 309 K C 2.637 179.310 176.600 0.123 0.000 1.048 309 K CA 1.658 57.983 56.287 0.063 0.000 0.966 309 K CB 0.032 32.553 32.500 0.034 0.000 0.754 309 K HN 0.628 nan 8.250 nan 0.000 0.466 310 T N -2.303 112.330 114.554 0.133 0.000 3.031 310 T HA -0.081 4.274 4.350 0.009 0.000 0.254 310 T C 2.099 176.789 174.700 -0.016 0.000 1.060 310 T CA 1.105 63.292 62.100 0.145 0.000 1.135 310 T CB -0.239 68.738 68.868 0.182 0.000 0.896 310 T HN 0.178 nan 8.240 nan 0.000 0.472 311 T N 0.022 114.559 114.554 -0.028 0.000 3.067 311 T HA 0.241 4.597 4.350 0.009 0.000 0.261 311 T C 1.787 176.414 174.700 -0.122 0.000 1.110 311 T CA 0.103 62.161 62.100 -0.071 0.000 1.113 311 T CB -0.380 68.458 68.868 -0.049 0.000 0.917 311 T HN 0.333 nan 8.240 nan 0.000 0.499 312 L N 0.430 121.559 121.223 -0.156 0.000 2.168 312 L HA 0.108 4.454 4.340 0.009 0.000 0.203 312 L C 2.683 179.383 176.870 -0.282 0.000 1.078 312 L CA 1.407 56.069 54.840 -0.296 0.000 0.780 312 L CB -0.805 40.970 42.059 -0.473 0.000 0.939 312 L HN 0.307 nan 8.230 nan 0.000 0.451 313 T N -0.416 114.004 114.554 -0.222 0.000 3.025 313 T HA -0.067 4.288 4.350 0.009 0.000 0.270 313 T C 1.526 176.075 174.700 -0.252 0.000 1.126 313 T CA 1.111 63.036 62.100 -0.292 0.000 1.105 313 T CB -0.033 68.672 68.868 -0.271 0.000 0.884 313 T HN 0.540 nan 8.240 nan 0.000 0.522 314 A N 0.396 123.091 122.820 -0.208 0.000 1.887 314 A HA 0.523 4.848 4.320 0.009 0.000 0.212 314 A C 2.652 180.131 177.584 -0.176 0.000 1.198 314 A CA 1.157 53.086 52.037 -0.180 0.000 0.628 314 A CB -1.101 17.802 19.000 -0.162 0.000 0.847 314 A HN 0.530 nan 8.150 nan 0.000 0.449 315 A N 0.271 122.983 122.820 -0.180 0.000 1.933 315 A HA -0.086 4.239 4.320 0.009 0.000 0.218 315 A C 2.071 179.551 177.584 -0.173 0.000 1.175 315 A CA 1.468 53.411 52.037 -0.157 0.000 0.628 315 A CB -0.658 18.262 19.000 -0.133 0.000 0.814 315 A HN 0.478 nan 8.150 nan 0.000 0.444 316 I N 0.416 120.840 120.570 -0.242 0.000 2.194 316 I HA -0.284 3.892 4.170 0.009 0.000 0.246 316 I C 2.880 178.807 176.117 -0.317 0.000 1.093 316 I CA 2.117 63.216 61.300 -0.335 0.000 1.355 316 I CB -0.770 36.926 38.000 -0.505 0.000 1.046 316 I HN 0.612 nan 8.210 nan 0.000 0.413 317 T N -2.475 111.956 114.554 -0.205 0.000 2.812 317 T HA -0.136 4.219 4.350 0.009 0.000 0.264 317 T C 1.878 176.589 174.700 0.018 0.000 1.042 317 T CA 1.589 63.662 62.100 -0.045 0.000 1.140 317 T CB -0.878 68.026 68.868 0.059 0.000 0.870 317 T HN 0.472 nan 8.240 nan 0.000 0.445 318 T N 0.049 114.582 114.554 -0.035 0.000 2.896 318 T HA 0.083 4.439 4.350 0.009 0.000 0.263 318 T C 2.033 176.720 174.700 -0.022 0.000 1.050 318 T CA 0.791 62.880 62.100 -0.019 0.000 1.140 318 T CB -0.885 67.878 68.868 -0.175 0.000 0.877 318 T HN 0.216 nan 8.240 nan 0.000 0.457 319 V N 1.339 121.220 119.914 -0.055 0.000 2.667 319 V HA 0.160 4.285 4.120 0.009 0.000 0.252 319 V C 2.397 178.472 176.094 -0.032 0.000 1.065 319 V CA 1.069 63.341 62.300 -0.047 0.000 1.083 319 V CB -0.580 31.212 31.823 -0.050 0.000 0.692 319 V HN 0.492 nan 8.190 nan 0.000 0.468 320 L N -0.488 120.730 121.223 -0.008 0.000 2.592 320 L HA 0.209 4.554 4.340 0.009 0.000 0.227 320 L C 2.203 179.152 176.870 0.131 0.000 1.127 320 L CA 0.622 55.520 54.840 0.096 0.000 0.884 320 L CB -0.301 41.808 42.059 0.084 0.000 1.065 320 L HN 0.333 nan 8.230 nan 0.000 0.457 321 A N 0.812 123.676 122.820 0.073 0.000 1.924 321 A HA -0.072 4.254 4.320 0.009 0.000 0.211 321 A C 2.133 179.737 177.584 0.034 0.000 1.198 321 A CA 0.454 52.544 52.037 0.087 0.000 0.657 321 A CB -0.052 19.015 19.000 0.112 0.000 0.852 321 A HN 0.343 nan 8.150 nan 0.000 0.454 322 K N -0.419 119.978 120.400 -0.006 0.000 2.505 322 K HA 0.092 4.417 4.320 0.009 0.000 0.192 322 K C 0.280 176.809 176.600 -0.118 0.000 1.025 322 K CA 1.326 57.589 56.287 -0.040 0.000 1.086 322 K CB -0.056 32.424 32.500 -0.033 0.000 0.840 322 K HN 0.231 nan 8.250 nan 0.000 0.514 323 T N -0.759 113.678 114.554 -0.195 0.000 2.966 323 T HA 0.204 4.560 4.350 0.009 0.000 0.254 323 T C -0.621 173.594 174.700 -0.809 0.000 0.961 323 T CA 0.047 61.841 62.100 -0.509 0.000 0.915 323 T CB 0.057 68.548 68.868 -0.629 0.000 1.186 323 T HN 0.186 nan 8.240 nan 0.000 0.505 324 Y N -0.728 119.596 120.300 0.040 0.000 2.818 324 Y HA 0.597 5.154 4.550 0.011 0.000 0.322 324 Y C 1.375 177.307 175.900 0.052 0.000 1.323 324 Y CA -1.365 56.764 58.100 0.048 0.000 1.090 324 Y CB 0.247 38.746 38.460 0.065 0.000 1.328 324 Y HN -0.001 nan 8.280 nan 0.000 0.482 325 G N 0.221 109.170 108.800 0.249 0.000 2.781 325 G HA2 0.268 4.233 3.960 0.009 0.000 0.157 325 G HA3 0.268 4.233 3.960 0.009 0.000 0.157 325 G C 0.706 175.682 174.900 0.127 0.000 1.823 325 G CA 0.193 45.377 45.100 0.141 0.000 0.932 325 G HN 0.885 nan 8.290 nan 0.000 0.398 350 S N 2.071 117.795 115.700 0.041 0.000 3.292 350 S HA -0.199 4.276 4.470 0.009 0.000 0.360 350 S C 0.040 174.708 174.600 0.113 0.000 0.930 350 S CA 1.164 59.375 58.200 0.019 0.000 1.317 350 S CB -1.763 61.484 63.200 0.077 0.000 0.920 350 S HN 1.357 nan 8.310 nan 0.000 0.540 351 H N -0.517 118.607 119.070 0.091 0.000 2.800 351 H HA 0.647 5.208 4.556 0.009 0.000 0.322 351 H C -0.036 175.341 175.328 0.082 0.000 0.979 351 H CA -0.681 55.434 56.048 0.112 0.000 1.277 351 H CB 0.773 30.572 29.762 0.061 0.000 1.484 351 H HN 0.295 nan 8.280 nan 0.000 0.512 352 V N 1.264 121.260 119.914 0.137 0.000 2.924 352 V HA 0.408 4.533 4.120 0.009 0.000 0.305 352 V C 0.065 176.213 176.094 0.089 0.000 1.073 352 V CA -0.534 61.803 62.300 0.061 0.000 1.098 352 V CB 1.115 32.934 31.823 -0.006 0.000 1.000 352 V HN 1.057 nan 8.190 nan 0.000 0.484 353 E N 3.117 123.354 120.200 0.063 0.000 2.331 353 E HA 0.694 5.049 4.350 0.009 0.000 0.275 353 E C -1.585 175.062 176.600 0.079 0.000 0.895 353 E CA -0.889 55.486 56.400 -0.042 0.000 0.753 353 E CB 2.238 31.980 29.700 0.070 0.000 1.216 353 E HN 0.914 nan 8.360 nan 0.000 0.434 354 Y N -0.818 119.591 120.300 0.181 0.000 2.625 354 Y HA 0.694 5.248 4.550 0.008 0.000 0.338 354 Y C -1.336 174.734 175.900 0.283 0.000 1.123 354 Y CA -1.292 56.941 58.100 0.221 0.000 1.046 354 Y CB 1.611 40.178 38.460 0.177 0.000 1.299 354 Y HN 0.384 nan 8.280 nan 0.000 0.464 355 D N 0.079 120.805 120.400 0.542 0.000 2.299 355 D HA 0.710 5.355 4.640 0.009 0.000 0.243 355 D C -1.085 175.384 176.300 0.280 0.000 0.982 355 D CA -0.205 54.019 54.000 0.374 0.000 0.924 355 D CB 2.265 43.216 40.800 0.252 0.000 1.238 355 D HN 0.696 nan 8.370 nan 0.000 0.484 356 T N 0.663 115.254 114.554 0.062 0.000 2.906 356 T HA 0.315 4.670 4.350 0.009 0.000 0.295 356 T C -1.877 172.635 174.700 -0.314 0.000 1.075 356 T CA -1.387 60.595 62.100 -0.197 0.000 1.005 356 T CB 1.869 70.725 68.868 -0.018 0.000 1.136 356 T HN 0.100 nan 8.240 nan 0.000 0.498 357 P HA -0.156 nan 4.420 nan 0.000 0.217 357 P C 1.514 178.720 177.300 -0.156 0.000 1.158 357 P CA 1.481 64.411 63.100 -0.283 0.000 0.887 357 P CB 0.126 31.669 31.700 -0.262 0.000 0.792 358 T N -1.969 112.494 114.554 -0.152 0.000 3.035 358 T HA 0.059 4.414 4.350 0.009 0.000 0.259 358 T C 0.744 175.359 174.700 -0.141 0.000 1.078 358 T CA 0.089 62.124 62.100 -0.108 0.000 1.132 358 T CB -0.046 68.781 68.868 -0.068 0.000 0.900 358 T HN 0.184 nan 8.240 nan 0.000 0.480 359 R N -0.666 119.708 120.500 -0.211 0.000 2.766 359 R HA 0.419 4.765 4.340 0.009 0.000 0.270 359 R C -1.354 174.717 176.300 -0.381 0.000 1.035 359 R CA -1.030 54.886 56.100 -0.306 0.000 0.911 359 R CB 0.730 30.817 30.300 -0.356 0.000 1.243 359 R HN 0.189 nan 8.270 nan 0.000 0.460 360 H N 0.772 119.555 119.070 -0.478 0.000 2.481 360 H HA 0.364 4.925 4.556 0.008 0.000 0.333 360 H C -1.323 173.811 175.328 -0.323 0.000 1.066 360 H CA -0.668 55.190 56.048 -0.317 0.000 1.209 360 H CB 1.048 30.739 29.762 -0.119 0.000 1.445 360 H HN 0.486 nan 8.280 nan 0.000 0.488 361 Y N 1.836 121.862 120.300 -0.457 0.000 2.387 361 Y HA 0.498 5.053 4.550 0.008 0.000 0.336 361 Y C -0.056 175.425 175.900 -0.699 0.000 1.067 361 Y CA -0.810 56.998 58.100 -0.486 0.000 1.114 361 Y CB 2.018 40.246 38.460 -0.388 0.000 1.208 361 Y HN 0.697 nan 8.280 nan 0.000 0.458 362 A N 2.399 125.080 122.820 -0.233 0.000 2.311 362 A HA 0.496 4.822 4.320 0.009 0.000 0.306 362 A C -1.578 175.982 177.584 -0.040 0.000 1.189 362 A CA -0.548 51.394 52.037 -0.157 0.000 0.791 362 A CB 0.092 19.010 19.000 -0.137 0.000 1.172 362 A HN 0.931 nan 8.150 nan 0.000 0.481 363 H N 1.327 120.359 119.070 -0.064 0.000 2.463 363 H HA 0.701 5.262 4.556 0.009 0.000 0.332 363 H C -0.432 175.011 175.328 0.193 0.000 1.127 363 H CA -0.259 55.830 56.048 0.068 0.000 1.238 363 H CB 1.480 31.329 29.762 0.145 0.000 1.478 363 H HN 0.679 nan 8.280 nan 0.000 0.499 364 V N 1.667 121.685 119.914 0.173 0.000 3.007 364 V HA 0.380 4.505 4.120 0.009 0.000 0.311 364 V C -0.789 175.317 176.094 0.020 0.000 1.120 364 V CA -1.133 61.297 62.300 0.216 0.000 0.980 364 V CB 1.950 33.833 31.823 0.101 0.000 1.033 364 V HN 0.812 nan 8.190 nan 0.000 0.429 365 D N 1.253 121.468 120.400 -0.308 0.000 2.163 365 D HA 0.627 5.272 4.640 0.009 0.000 0.248 365 D C -0.495 175.645 176.300 -0.267 0.000 1.035 365 D CA -0.257 53.408 54.000 -0.559 0.000 0.872 365 D CB 1.678 41.567 40.800 -1.518 0.000 1.183 365 D HN 0.880 nan 8.370 nan 0.000 0.445 366 C N 4.990 124.188 119.300 -0.169 0.000 2.842 366 C HA 0.382 4.847 4.460 0.009 0.000 0.311 366 C C -2.156 172.868 174.990 0.056 0.000 1.312 366 C CA -1.333 57.676 59.018 -0.015 0.000 1.651 366 C CB -0.521 27.207 27.740 -0.021 0.000 1.826 366 C HN 0.452 nan 8.230 nan 0.000 0.491 367 P HA 0.348 nan 4.420 nan 0.000 0.218 367 P C 0.327 177.658 177.300 0.051 0.000 1.793 367 P CA 0.882 64.000 63.100 0.030 0.000 0.941 367 P CB -0.059 31.616 31.700 -0.042 0.000 1.919 368 G N 0.252 109.102 108.800 0.084 0.000 2.088 368 G HA2 -0.053 3.913 3.960 0.009 0.000 0.222 368 G HA3 -0.053 3.913 3.960 0.009 0.000 0.222 368 G C -0.125 174.583 174.900 -0.319 0.000 1.690 368 G CA -0.527 44.486 45.100 -0.144 0.000 0.923 368 G HN 0.174 nan 8.290 nan 0.000 0.730 369 H N 2.367 120.887 119.070 -0.917 0.000 2.253 369 H HA -0.037 4.525 4.556 0.009 0.000 0.299 369 H C 2.759 177.934 175.328 -0.254 0.000 1.064 369 H CA 2.883 58.470 56.048 -0.768 0.000 1.264 369 H CB -0.123 29.104 29.762 -0.893 0.000 1.371 369 H HN 0.724 nan 8.280 nan 0.000 0.493 370 A N 0.752 123.600 122.820 0.047 0.000 1.865 370 A HA -0.228 4.098 4.320 0.009 0.000 0.217 370 A C 2.331 179.909 177.584 -0.011 0.000 1.191 370 A CA 2.123 54.192 52.037 0.054 0.000 0.623 370 A CB -0.889 18.096 19.000 -0.025 0.000 0.826 370 A HN 0.575 nan 8.150 nan 0.000 0.444 371 D N -2.127 118.239 120.400 -0.055 0.000 2.221 371 D HA -0.189 4.456 4.640 0.009 0.000 0.204 371 D C 1.564 177.815 176.300 -0.081 0.000 0.982 371 D CA 1.489 55.440 54.000 -0.082 0.000 0.857 371 D CB -0.252 40.505 40.800 -0.072 0.000 0.934 371 D HN 0.597 nan 8.370 nan 0.000 0.475 372 Y N 0.426 120.642 120.300 -0.139 0.000 2.114 372 Y HA -0.165 4.390 4.550 0.008 0.000 0.284 372 Y C 2.332 178.157 175.900 -0.124 0.000 1.119 372 Y CA 1.519 59.540 58.100 -0.132 0.000 1.108 372 Y CB -0.723 37.653 38.460 -0.139 0.000 0.995 372 Y HN -0.162 nan 8.280 nan 0.000 0.491 373 V N 1.574 121.550 119.914 0.103 0.000 2.257 373 V HA -0.497 3.629 4.120 0.009 0.000 0.257 373 V C 2.494 178.479 176.094 -0.181 0.000 1.077 373 V CA 2.684 64.997 62.300 0.022 0.000 1.063 373 V CB -0.944 30.942 31.823 0.105 0.000 0.664 373 V HN 0.511 nan 8.190 nan 0.000 0.450 374 K N -0.203 120.068 120.400 -0.214 0.000 2.034 374 K HA -0.281 4.045 4.320 0.009 0.000 0.214 374 K C 1.918 178.291 176.600 -0.378 0.000 1.051 374 K CA 2.336 58.407 56.287 -0.359 0.000 0.931 374 K CB -0.281 31.901 32.500 -0.531 0.000 0.715 374 K HN 0.521 nan 8.250 nan 0.000 0.446 375 N N 0.378 118.829 118.700 -0.415 0.000 2.205 375 N HA -0.183 4.562 4.740 0.009 0.000 0.186 375 N C 1.529 176.792 175.510 -0.410 0.000 1.015 375 N CA 1.379 54.189 53.050 -0.400 0.000 0.862 375 N CB -0.197 38.046 38.487 -0.406 0.000 0.986 375 N HN 0.348 nan 8.380 nan 0.000 0.429 376 M N -0.069 119.204 119.600 -0.545 0.000 2.334 376 M HA 0.066 4.551 4.480 0.009 0.000 0.266 376 M C 1.528 177.717 176.300 -0.185 0.000 1.082 376 M CA 0.981 56.057 55.300 -0.372 0.000 1.141 376 M CB -0.111 32.265 32.600 -0.374 0.000 1.380 376 M HN 0.050 nan 8.290 nan 0.000 0.440 377 I N -0.278 120.193 120.570 -0.165 0.000 2.233 377 I HA -0.225 3.950 4.170 0.009 0.000 0.243 377 I C 2.332 178.378 176.117 -0.119 0.000 1.093 377 I CA 1.451 62.690 61.300 -0.102 0.000 1.380 377 I CB -0.526 37.446 38.000 -0.047 0.000 1.067 377 I HN 0.301 nan 8.210 nan 0.000 0.413 378 T N -0.416 114.055 114.554 -0.139 0.000 2.867 378 T HA -0.045 4.310 4.350 0.009 0.000 0.268 378 T C 1.353 175.984 174.700 -0.115 0.000 1.057 378 T CA 1.460 63.489 62.100 -0.118 0.000 1.136 378 T CB -0.254 68.529 68.868 -0.141 0.000 0.874 378 T HN 0.682 nan 8.240 nan 0.000 0.466 379 G N -0.267 108.454 108.800 -0.132 0.000 2.131 379 G HA2 -0.136 3.829 3.960 0.009 0.000 0.223 379 G HA3 -0.136 3.829 3.960 0.009 0.000 0.223 379 G C 0.851 175.687 174.900 -0.107 0.000 0.990 379 G CA 0.300 45.335 45.100 -0.109 0.000 0.671 379 G HN 0.808 nan 8.290 nan 0.000 0.521 380 A N -0.832 121.911 122.820 -0.128 0.000 2.167 380 A HA 0.731 5.056 4.320 0.009 0.000 0.214 380 A C 1.378 178.898 177.584 -0.108 0.000 1.151 380 A CA 1.819 53.792 52.037 -0.106 0.000 0.735 380 A CB 0.020 18.954 19.000 -0.110 0.000 0.802 380 A HN 2.382 nan 8.150 nan 0.000 0.467 381 A N 0.080 122.816 122.820 -0.139 0.000 2.171 381 A HA 0.485 4.810 4.320 0.009 0.000 0.303 381 A C -0.332 177.174 177.584 -0.130 0.000 1.009 381 A CA -0.416 51.548 52.037 -0.122 0.000 1.015 381 A CB -0.454 18.492 19.000 -0.091 0.000 1.372 381 A HN 0.465 nan 8.150 nan 0.000 0.355 382 Q N 1.225 120.979 119.800 -0.077 0.000 2.335 382 Q HA 0.815 5.160 4.340 0.009 0.000 0.180 382 Q C 0.180 176.207 176.000 0.046 0.000 1.101 382 Q CA -0.422 55.368 55.803 -0.022 0.000 1.165 382 Q CB 0.604 29.337 28.738 -0.008 0.000 1.220 382 Q HN 0.805 nan 8.270 nan 0.000 0.626 383 M N 0.104 119.757 119.600 0.089 0.000 2.322 383 M HA 0.219 4.704 4.480 0.009 0.000 0.285 383 M C -1.449 174.898 176.300 0.078 0.000 1.119 383 M CA -0.356 54.997 55.300 0.088 0.000 0.953 383 M CB 2.270 34.945 32.600 0.124 0.000 1.701 383 M HN 0.683 nan 8.290 nan 0.000 0.479 384 D N 2.283 122.728 120.400 0.075 0.000 2.301 384 D HA 0.260 4.905 4.640 0.009 0.000 0.206 384 D C 0.503 176.881 176.300 0.129 0.000 0.979 384 D CA 0.639 54.700 54.000 0.103 0.000 0.874 384 D CB 0.787 41.653 40.800 0.110 0.000 0.968 384 D HN 0.725 nan 8.370 nan 0.000 0.510 385 G N 0.400 109.256 108.800 0.094 0.000 2.334 385 G HA2 0.493 4.459 3.960 0.009 0.000 0.290 385 G HA3 0.493 4.459 3.960 0.009 0.000 0.290 385 G C -0.548 174.363 174.900 0.019 0.000 1.310 385 G CA -0.195 44.967 45.100 0.103 0.000 1.308 385 G HN 0.215 nan 8.290 nan 0.000 0.612 386 A N 2.204 125.007 122.820 -0.028 0.000 2.325 386 A HA 0.752 5.077 4.320 0.009 0.000 0.260 386 A C 0.350 177.893 177.584 -0.069 0.000 1.133 386 A CA -0.310 51.668 52.037 -0.098 0.000 0.801 386 A CB 0.541 19.441 19.000 -0.167 0.000 1.092 386 A HN 1.518 nan 8.150 nan 0.000 0.504 387 I N 1.032 121.550 120.570 -0.087 0.000 2.603 387 I HA 0.254 4.429 4.170 0.009 0.000 0.276 387 I C -1.274 174.822 176.117 -0.035 0.000 1.133 387 I CA -0.633 60.650 61.300 -0.027 0.000 1.070 387 I CB 0.741 38.756 38.000 0.025 0.000 1.215 387 I HN 0.627 nan 8.210 nan 0.000 0.487 388 L N 8.030 129.216 121.223 -0.062 0.000 2.562 388 L HA 0.180 4.526 4.340 0.009 0.000 0.271 388 L C -0.760 176.118 176.870 0.013 0.000 1.167 388 L CA 0.610 55.404 54.840 -0.077 0.000 0.917 388 L CB 0.861 42.861 42.059 -0.099 0.000 1.187 388 L HN 0.381 nan 8.230 nan 0.000 0.482 389 V N 6.945 126.864 119.914 0.009 0.000 2.318 389 V HA 0.400 4.525 4.120 0.009 0.000 0.271 389 V C -0.076 176.091 176.094 0.121 0.000 1.030 389 V CA -0.295 62.074 62.300 0.114 0.000 0.844 389 V CB 1.236 33.109 31.823 0.083 0.000 1.015 389 V HN 0.645 nan 8.190 nan 0.000 0.460 390 V N 3.068 123.083 119.914 0.168 0.000 2.715 390 V HA 1.005 5.131 4.120 0.009 0.000 0.310 390 V C 0.115 176.317 176.094 0.180 0.000 1.054 390 V CA -0.742 61.699 62.300 0.235 0.000 0.928 390 V CB 1.941 33.863 31.823 0.166 0.000 1.007 390 V HN 0.890 nan 8.190 nan 0.000 0.437 391 A N 3.332 126.207 122.820 0.092 0.000 2.274 391 A HA 0.815 5.140 4.320 0.009 0.000 0.309 391 A C 1.125 178.591 177.584 -0.198 0.000 1.226 391 A CA -0.116 51.790 52.037 -0.217 0.000 0.853 391 A CB 1.227 19.860 19.000 -0.611 0.000 1.146 391 A HN 2.080 nan 8.150 nan 0.000 0.518 392 A N 2.171 124.913 122.820 -0.129 0.000 2.168 392 A HA 0.048 4.373 4.320 0.009 0.000 0.215 392 A C 1.865 179.383 177.584 -0.109 0.000 1.152 392 A CA 1.923 53.903 52.037 -0.095 0.000 0.716 392 A CB -0.684 18.269 19.000 -0.078 0.000 0.794 392 A HN 0.756 nan 8.150 nan 0.000 0.465 393 T N 0.037 114.495 114.554 -0.161 0.000 2.803 393 T HA -0.115 4.240 4.350 0.009 0.000 0.269 393 T C 1.014 175.640 174.700 -0.123 0.000 1.052 393 T CA 1.884 63.897 62.100 -0.146 0.000 1.136 393 T CB -0.192 68.568 68.868 -0.180 0.000 0.864 393 T HN 0.507 nan 8.240 nan 0.000 0.467 394 D N -1.069 119.242 120.400 -0.149 0.000 2.498 394 D HA 0.357 5.002 4.640 0.009 0.000 0.223 394 D C 1.112 177.410 176.300 -0.003 0.000 1.125 394 D CA 0.755 54.715 54.000 -0.067 0.000 0.835 394 D CB 0.589 41.360 40.800 -0.049 0.000 1.086 394 D HN 0.427 nan 8.370 nan 0.000 0.510 395 G N 1.612 110.408 108.800 -0.007 0.000 2.645 395 G HA2 -0.214 3.752 3.960 0.009 0.000 0.239 395 G HA3 -0.214 3.752 3.960 0.009 0.000 0.239 395 G C -2.383 172.566 174.900 0.082 0.000 1.331 395 G CA -0.644 44.473 45.100 0.027 0.000 0.890 395 G HN 0.058 nan 8.290 nan 0.000 0.572 396 P HA 0.340 nan 4.420 nan 0.000 0.269 396 P C 0.044 177.377 177.300 0.055 0.000 1.209 396 P CA 0.058 63.197 63.100 0.064 0.000 0.776 396 P CB 0.478 32.205 31.700 0.045 0.000 0.876 397 M N 3.370 122.994 119.600 0.040 0.000 2.371 397 M HA 0.265 4.750 4.480 0.009 0.000 0.301 397 M C -1.322 174.991 176.300 0.022 0.000 1.173 397 M CA -2.778 52.538 55.300 0.027 0.000 1.020 397 M CB -0.712 31.914 32.600 0.044 0.000 1.490 397 M HN 0.127 nan 8.290 nan 0.000 0.485 398 P HA -0.173 nan 4.420 nan 0.000 0.216 398 P C 0.869 178.162 177.300 -0.012 0.000 1.153 398 P CA 1.366 64.480 63.100 0.024 0.000 0.858 398 P CB 0.014 31.738 31.700 0.039 0.000 0.789 399 Q N -1.315 118.451 119.800 -0.056 0.000 2.225 399 Q HA 0.102 4.448 4.340 0.009 0.000 0.222 399 Q C 0.693 176.430 176.000 -0.439 0.000 0.887 399 Q CA 0.692 56.383 55.803 -0.187 0.000 0.958 399 Q CB -0.872 27.751 28.738 -0.191 0.000 1.058 399 Q HN 0.061 nan 8.270 nan 0.000 0.459 400 T N 1.424 115.841 114.554 -0.228 0.000 3.067 400 T HA -0.000 4.355 4.350 0.009 0.000 0.261 400 T C 1.583 176.163 174.700 -0.201 0.000 1.110 400 T CA 0.824 62.824 62.100 -0.168 0.000 1.113 400 T CB 0.117 68.999 68.868 0.023 0.000 0.917 400 T HN 0.639 nan 8.240 nan 0.000 0.499 401 R N 1.343 121.742 120.500 -0.167 0.000 2.092 401 R HA 0.026 4.371 4.340 0.009 0.000 0.231 401 R C 1.847 177.980 176.300 -0.278 0.000 1.119 401 R CA 1.150 57.123 56.100 -0.211 0.000 0.970 401 R CB -0.360 29.977 30.300 0.061 0.000 0.864 401 R HN 0.273 nan 8.270 nan 0.000 0.440 402 E N 0.802 120.882 120.200 -0.201 0.000 2.268 402 E HA -0.154 4.201 4.350 0.009 0.000 0.195 402 E C 1.641 178.214 176.600 -0.046 0.000 0.995 402 E CA 0.986 57.357 56.400 -0.048 0.000 0.836 402 E CB -0.218 29.487 29.700 0.008 0.000 0.763 402 E HN 0.581 nan 8.360 nan 0.000 0.491 403 H N 0.908 119.778 119.070 -0.333 0.000 2.294 403 H HA 0.090 4.652 4.556 0.009 0.000 0.306 403 H C 2.452 177.602 175.328 -0.298 0.000 1.065 403 H CA 0.797 56.506 56.048 -0.566 0.000 1.343 403 H CB -0.443 28.959 29.762 -0.601 0.000 1.396 403 H HN 0.112 nan 8.280 nan 0.000 0.506 404 I N 0.698 121.155 120.570 -0.188 0.000 2.315 404 I HA -0.260 3.915 4.170 0.009 0.000 0.251 404 I C 2.462 178.475 176.117 -0.174 0.000 1.125 404 I CA 0.663 61.820 61.300 -0.239 0.000 1.392 404 I CB -0.333 37.433 38.000 -0.390 0.000 1.065 404 I HN 0.073 nan 8.210 nan 0.000 0.424 405 L N 1.107 122.197 121.223 -0.221 0.000 1.948 405 L HA -0.204 4.141 4.340 0.009 0.000 0.212 405 L C 2.300 179.268 176.870 0.164 0.000 1.074 405 L CA 1.764 56.621 54.840 0.029 0.000 0.753 405 L CB -1.057 41.088 42.059 0.143 0.000 0.888 405 L HN 0.190 nan 8.230 nan 0.000 0.432 406 L N -0.338 121.017 121.223 0.220 0.000 2.171 406 L HA -0.236 4.110 4.340 0.009 0.000 0.216 406 L C 2.092 178.889 176.870 -0.121 0.000 1.084 406 L CA 2.238 57.028 54.840 -0.083 0.000 0.771 406 L CB -1.449 40.563 42.059 -0.077 0.000 0.890 406 L HN 0.575 nan 8.230 nan 0.000 0.437 407 G N -0.801 107.976 108.800 -0.038 0.000 2.453 407 G HA2 -0.255 3.711 3.960 0.009 0.000 0.215 407 G HA3 -0.255 3.711 3.960 0.009 0.000 0.215 407 G C 1.628 176.669 174.900 0.235 0.000 1.147 407 G CA 0.543 45.631 45.100 -0.021 0.000 0.802 407 G HN 0.348 nan 8.290 nan 0.000 0.535 408 R N 0.733 121.433 120.500 0.335 0.000 2.073 408 R HA 0.076 4.421 4.340 0.009 0.000 0.229 408 R C 2.403 178.788 176.300 0.141 0.000 1.120 408 R CA 1.624 57.890 56.100 0.276 0.000 0.967 408 R CB -0.870 29.564 30.300 0.223 0.000 0.862 408 R HN 0.410 nan 8.270 nan 0.000 0.436 409 Q N -0.216 119.672 119.800 0.147 0.000 1.993 409 Q HA -0.123 4.223 4.340 0.009 0.000 0.202 409 Q C 1.981 178.048 176.000 0.112 0.000 0.984 409 Q CA 1.892 57.775 55.803 0.132 0.000 0.837 409 Q CB -0.527 28.323 28.738 0.186 0.000 0.902 409 Q HN 0.268 nan 8.270 nan 0.000 0.423 410 V N 0.774 120.748 119.914 0.100 0.000 2.982 410 V HA -0.095 4.030 4.120 0.009 0.000 0.265 410 V C 0.853 177.013 176.094 0.110 0.000 1.122 410 V CA 1.528 63.905 62.300 0.130 0.000 1.143 410 V CB -1.221 30.710 31.823 0.179 0.000 0.726 410 V HN 0.693 nan 8.190 nan 0.000 0.507 411 G N 0.278 109.140 108.800 0.103 0.000 2.338 411 G HA2 -0.218 3.747 3.960 0.009 0.000 0.296 411 G HA3 -0.218 3.747 3.960 0.009 0.000 0.296 411 G C 0.082 175.046 174.900 0.106 0.000 1.040 411 G CA 0.481 45.634 45.100 0.089 0.000 1.004 411 G HN 1.163 nan 8.290 nan 0.000 0.509 412 V N 1.620 121.622 119.914 0.146 0.000 2.485 412 V HA 0.282 4.407 4.120 0.009 0.000 0.287 412 V C 0.450 176.625 176.094 0.134 0.000 1.022 412 V CA -0.819 61.543 62.300 0.104 0.000 1.067 412 V CB 1.090 32.930 31.823 0.028 0.000 0.967 412 V HN 0.316 nan 8.190 nan 0.000 0.479 413 P HA -0.108 nan 4.420 nan 0.000 0.213 413 P C -0.392 176.690 177.300 -0.363 0.000 1.170 413 P CA 1.402 64.372 63.100 -0.216 0.000 0.898 413 P CB 0.115 31.684 31.700 -0.218 0.000 0.787 414 Y N -1.075 119.273 120.300 0.081 0.000 2.361 414 Y HA 0.487 5.044 4.550 0.011 0.000 0.337 414 Y C 0.545 176.492 175.900 0.078 0.000 0.965 414 Y CA -0.926 57.227 58.100 0.088 0.000 1.091 414 Y CB 1.715 40.139 38.460 -0.059 0.000 1.182 414 Y HN -0.214 nan 8.280 nan 0.000 0.450 415 I N 4.882 125.555 120.570 0.170 0.000 2.493 415 I HA 0.472 4.648 4.170 0.009 0.000 0.298 415 I C -0.636 175.504 176.117 0.039 0.000 0.998 415 I CA -0.748 60.534 61.300 -0.030 0.000 1.137 415 I CB 1.645 39.428 38.000 -0.361 0.000 1.310 415 I HN 0.476 nan 8.210 nan 0.000 0.445 416 I N 5.966 126.537 120.570 0.002 0.000 2.465 416 I HA 0.369 4.544 4.170 0.009 0.000 0.291 416 I C -0.594 175.524 176.117 0.001 0.000 1.014 416 I CA -0.910 60.368 61.300 -0.035 0.000 1.093 416 I CB 2.200 40.221 38.000 0.036 0.000 1.267 416 I HN 0.140 nan 8.210 nan 0.000 0.431 417 V N 6.207 126.118 119.914 -0.005 0.000 2.439 417 V HA 0.277 4.402 4.120 0.009 0.000 0.282 417 V C -0.613 175.549 176.094 0.114 0.000 1.039 417 V CA -0.436 61.886 62.300 0.037 0.000 0.913 417 V CB 1.614 33.434 31.823 -0.005 0.000 0.983 417 V HN 0.453 nan 8.190 nan 0.000 0.460 418 F N 6.235 126.189 119.950 0.007 0.000 2.404 418 F HA 0.582 5.113 4.527 0.008 0.000 0.354 418 F C -0.550 175.261 175.800 0.018 0.000 1.122 418 F CA -0.745 57.268 58.000 0.021 0.000 1.080 418 F CB 1.129 40.143 39.000 0.023 0.000 1.131 418 F HN 0.253 nan 8.300 nan 0.000 0.471 419 L N 6.357 127.324 121.223 -0.427 0.000 2.261 419 L HA 0.294 4.639 4.340 0.009 0.000 0.289 419 L C -0.227 176.383 176.870 -0.434 0.000 1.059 419 L CA -0.218 54.451 54.840 -0.284 0.000 0.816 419 L CB 0.265 42.204 42.059 -0.199 0.000 1.191 419 L HN 0.619 nan 8.230 nan 0.000 0.431 420 N N 2.569 121.234 118.700 -0.058 0.000 2.489 420 N HA 0.281 5.027 4.740 0.009 0.000 0.284 420 N C -0.461 175.030 175.510 -0.031 0.000 1.158 420 N CA -0.427 52.705 53.050 0.137 0.000 0.965 420 N CB 0.819 39.502 38.487 0.325 0.000 1.195 420 N HN 0.353 nan 8.380 nan 0.000 0.506 421 K N 0.964 121.335 120.400 -0.048 0.000 3.653 421 K HA -0.193 4.133 4.320 0.009 0.000 0.275 421 K C 0.027 176.509 176.600 -0.196 0.000 0.962 421 K CA 0.167 56.358 56.287 -0.161 0.000 0.773 421 K CB -1.812 30.603 32.500 -0.141 0.000 1.463 421 K HN 0.503 nan 8.250 nan 0.000 0.450 422 C N 0.337 119.495 119.300 -0.237 0.000 2.634 422 C HA -0.048 4.417 4.460 0.009 0.000 0.268 422 C C 2.346 177.240 174.990 -0.160 0.000 1.322 422 C CA 0.477 59.415 59.018 -0.134 0.000 1.737 422 C CB -0.456 27.304 27.740 0.033 0.000 1.976 422 C HN 0.824 nan 8.230 nan 0.000 0.547 423 D N 1.023 121.142 120.400 -0.468 0.000 2.190 423 D HA -0.219 4.426 4.640 0.009 0.000 0.200 423 D C 1.452 177.669 176.300 -0.139 0.000 0.992 423 D CA 1.240 55.030 54.000 -0.350 0.000 0.854 423 D CB -0.436 40.007 40.800 -0.595 0.000 0.936 423 D HN 0.441 nan 8.370 nan 0.000 0.462 424 M N 0.689 120.197 119.600 -0.153 0.000 2.639 424 M HA 0.104 4.590 4.480 0.009 0.000 0.220 424 M C -0.421 175.843 176.300 -0.060 0.000 1.155 424 M CA 0.050 55.291 55.300 -0.098 0.000 1.003 424 M CB 0.825 33.358 32.600 -0.111 0.000 1.725 424 M HN -0.186 nan 8.290 nan 0.000 0.489 425 V N 0.794 120.687 119.914 -0.036 0.000 2.305 425 V HA 0.087 4.213 4.120 0.009 0.000 0.275 425 V C -0.029 176.072 176.094 0.012 0.000 1.020 425 V CA -0.770 61.522 62.300 -0.014 0.000 0.811 425 V CB 0.821 32.637 31.823 -0.013 0.000 1.031 425 V HN 0.384 nan 8.190 nan 0.000 0.439 426 D N 1.601 122.005 120.400 0.007 0.000 2.178 426 D HA -0.117 4.528 4.640 0.009 0.000 0.202 426 D C 0.618 176.928 176.300 0.017 0.000 0.974 426 D CA 0.709 54.719 54.000 0.017 0.000 0.841 426 D CB 0.151 40.956 40.800 0.009 0.000 0.953 426 D HN 0.475 nan 8.370 nan 0.000 0.478 427 D N 0.137 120.542 120.400 0.009 0.000 2.249 427 D HA 0.047 4.692 4.640 0.009 0.000 0.246 427 D C 0.405 176.711 176.300 0.009 0.000 1.114 427 D CA -0.276 53.728 54.000 0.007 0.000 0.854 427 D CB 1.114 41.915 40.800 0.002 0.000 1.132 427 D HN -0.049 nan 8.370 nan 0.000 0.461 428 E N 2.685 122.891 120.200 0.010 0.000 2.478 428 E HA -0.097 4.259 4.350 0.009 0.000 0.194 428 E C 0.684 177.287 176.600 0.004 0.000 1.045 428 E CA 0.249 56.655 56.400 0.010 0.000 0.868 428 E CB 0.485 30.191 29.700 0.008 0.000 0.885 428 E HN 0.485 nan 8.360 nan 0.000 0.505 429 E N -0.053 120.148 120.200 0.002 0.000 2.442 429 E HA 0.051 4.406 4.350 0.009 0.000 0.195 429 E C 1.786 178.386 176.600 0.000 0.000 1.030 429 E CA 0.145 56.545 56.400 0.001 0.000 0.869 429 E CB 0.069 29.769 29.700 0.001 0.000 0.857 429 E HN 0.229 nan 8.360 nan 0.000 0.505 430 L N 0.126 121.348 121.223 -0.001 0.000 2.395 430 L HA -0.004 4.341 4.340 0.009 0.000 0.218 430 L C 1.748 178.614 176.870 -0.006 0.000 1.130 430 L CA 0.380 55.218 54.840 -0.004 0.000 0.826 430 L CB -0.088 41.968 42.059 -0.006 0.000 0.941 430 L HN 0.273 nan 8.230 nan 0.000 0.451 431 L N -0.861 120.359 121.223 -0.005 0.000 2.102 431 L HA -0.098 4.248 4.340 0.009 0.000 0.202 431 L C 2.101 178.966 176.870 -0.008 0.000 1.076 431 L CA 0.947 55.782 54.840 -0.008 0.000 0.761 431 L CB -0.325 41.732 42.059 -0.004 0.000 0.921 431 L HN 0.183 nan 8.230 nan 0.000 0.444 432 E N 0.253 120.450 120.200 -0.005 0.000 2.516 432 E HA -0.127 4.229 4.350 0.009 0.000 0.199 432 E C 1.956 178.556 176.600 0.000 0.000 1.069 432 E CA 0.311 56.709 56.400 -0.003 0.000 0.876 432 E CB 0.246 29.945 29.700 -0.002 0.000 0.843 432 E HN 0.463 nan 8.360 nan 0.000 0.530 433 L N -0.035 121.188 121.223 -0.000 0.000 2.189 433 L HA -0.072 4.273 4.340 0.009 0.000 0.199 433 L C 2.228 179.101 176.870 0.004 0.000 1.074 433 L CA 0.578 55.420 54.840 0.003 0.000 0.783 433 L CB -0.133 41.927 42.059 0.002 0.000 0.955 433 L HN -0.015 nan 8.230 nan 0.000 0.460 434 V N 0.590 120.504 119.914 -0.000 0.000 2.287 434 V HA -0.315 3.810 4.120 0.009 0.000 0.248 434 V C 2.458 178.554 176.094 0.003 0.000 1.053 434 V CA 1.989 64.289 62.300 0.001 0.000 1.027 434 V CB -0.570 31.248 31.823 -0.009 0.000 0.646 434 V HN 0.472 nan 8.190 nan 0.000 0.447 435 E N -0.783 119.415 120.200 -0.004 0.000 2.086 435 E HA -0.300 4.055 4.350 0.009 0.000 0.200 435 E C 2.313 178.916 176.600 0.006 0.000 1.012 435 E CA 1.756 58.154 56.400 -0.003 0.000 0.812 435 E CB -0.217 29.479 29.700 -0.008 0.000 0.743 435 E HN 0.371 nan 8.360 nan 0.000 0.453 436 M N 0.554 120.159 119.600 0.009 0.000 2.073 436 M HA -0.199 4.287 4.480 0.009 0.000 0.258 436 M C 2.016 178.330 176.300 0.023 0.000 1.070 436 M CA 1.619 56.928 55.300 0.015 0.000 1.103 436 M CB -0.840 31.768 32.600 0.013 0.000 1.321 436 M HN 0.127 nan 8.290 nan 0.000 0.405 437 E N -0.783 119.430 120.200 0.022 0.000 2.038 437 E HA -0.201 4.154 4.350 0.009 0.000 0.195 437 E C 1.981 178.604 176.600 0.039 0.000 1.000 437 E CA 1.686 58.105 56.400 0.031 0.000 0.803 437 E CB -0.273 29.443 29.700 0.028 0.000 0.750 437 E HN 0.363 nan 8.360 nan 0.000 0.448 438 V N 1.153 121.086 119.914 0.032 0.000 2.358 438 V HA -0.200 3.925 4.120 0.009 0.000 0.246 438 V C 1.968 178.087 176.094 0.042 0.000 1.047 438 V CA 1.591 63.911 62.300 0.034 0.000 1.035 438 V CB -0.304 31.532 31.823 0.021 0.000 0.658 438 V HN 0.172 nan 8.190 nan 0.000 0.452 439 R N -0.452 120.068 120.500 0.033 0.000 2.355 439 R HA -0.091 4.255 4.340 0.009 0.000 0.219 439 R C 1.932 178.269 176.300 0.062 0.000 1.107 439 R CA 1.254 57.377 56.100 0.039 0.000 1.021 439 R CB -0.002 30.312 30.300 0.025 0.000 0.852 439 R HN 0.584 nan 8.270 nan 0.000 0.475 440 E N -0.109 120.132 120.200 0.069 0.000 2.290 440 E HA 0.035 4.390 4.350 0.009 0.000 0.199 440 E C 1.897 178.573 176.600 0.127 0.000 0.912 440 E CA 0.064 56.514 56.400 0.083 0.000 0.924 440 E CB -0.095 29.643 29.700 0.063 0.000 0.901 440 E HN 0.218 nan 8.360 nan 0.000 0.487 441 L N 1.045 122.347 121.223 0.131 0.000 2.137 441 L HA -0.195 4.150 4.340 0.009 0.000 0.213 441 L C 2.349 179.388 176.870 0.282 0.000 1.085 441 L CA 0.932 55.891 54.840 0.198 0.000 0.760 441 L CB -0.251 41.879 42.059 0.119 0.000 0.893 441 L HN 0.148 nan 8.230 nan 0.000 0.434 442 L N -1.550 119.794 121.223 0.200 0.000 1.994 442 L HA -0.219 4.126 4.340 0.009 0.000 0.208 442 L C 2.459 179.531 176.870 0.337 0.000 1.071 442 L CA 1.433 56.426 54.840 0.256 0.000 0.745 442 L CB -0.479 41.682 42.059 0.171 0.000 0.892 442 L HN 0.148 nan 8.230 nan 0.000 0.431 443 S N -1.117 114.716 115.700 0.221 0.000 2.561 443 S HA -0.085 4.390 4.470 0.009 0.000 0.225 443 S C 1.651 176.311 174.600 0.099 0.000 0.977 443 S CA 0.412 58.704 58.200 0.155 0.000 0.926 443 S CB -0.007 63.254 63.200 0.101 0.000 0.769 443 S HN 0.368 nan 8.310 nan 0.000 0.533 444 Q N -0.593 119.280 119.800 0.122 0.000 2.515 444 Q HA 0.010 4.355 4.340 0.009 0.000 0.212 444 Q C -0.260 175.551 176.000 -0.316 0.000 0.970 444 Q CA 0.785 56.538 55.803 -0.083 0.000 0.941 444 Q CB 0.134 28.813 28.738 -0.098 0.000 0.998 444 Q HN 0.626 nan 8.270 nan 0.000 0.518 445 Y N -1.249 119.083 120.300 0.054 0.000 2.721 445 Y HA 0.144 4.699 4.550 0.008 0.000 0.251 445 Y C -0.573 175.251 175.900 -0.127 0.000 1.136 445 Y CA -0.686 57.427 58.100 0.023 0.000 1.142 445 Y CB 0.633 39.176 38.460 0.140 0.000 1.212 445 Y HN 0.009 nan 8.280 nan 0.000 0.565 446 D N -0.582 119.809 120.400 -0.016 0.000 2.983 446 D HA -0.233 4.413 4.640 0.009 0.000 0.225 446 D C -0.759 175.408 176.300 -0.222 0.000 1.174 446 D CA 1.135 55.059 54.000 -0.127 0.000 0.831 446 D CB -1.466 39.221 40.800 -0.189 0.000 1.104 446 D HN 0.190 nan 8.370 nan 0.000 0.421 447 F N -0.069 119.934 119.950 0.088 0.000 2.397 447 F HA 0.356 4.887 4.527 0.007 0.000 0.331 447 F C -1.423 174.426 175.800 0.082 0.000 1.090 447 F CA -2.458 55.587 58.000 0.075 0.000 1.065 447 F CB 0.627 39.676 39.000 0.082 0.000 1.184 447 F HN -0.271 nan 8.300 nan 0.000 0.499 448 P HA -0.009 nan 4.420 nan 0.000 0.240 448 P C 0.850 178.254 177.300 0.172 0.000 1.594 448 P CA 0.443 63.665 63.100 0.202 0.000 1.184 448 P CB -0.359 31.480 31.700 0.231 0.000 1.915 449 G N 1.886 110.778 108.800 0.154 0.000 2.498 449 G HA2 -0.216 3.749 3.960 0.009 0.000 0.219 449 G HA3 -0.216 3.749 3.960 0.009 0.000 0.219 449 G C 1.006 175.949 174.900 0.071 0.000 1.119 449 G CA 0.394 45.565 45.100 0.118 0.000 0.766 449 G HN 0.254 nan 8.290 nan 0.000 0.552 450 D N 0.158 120.597 120.400 0.066 0.000 2.197 450 D HA 0.015 4.661 4.640 0.009 0.000 0.212 450 D C 1.584 177.900 176.300 0.027 0.000 0.963 450 D CA 0.514 54.539 54.000 0.041 0.000 0.864 450 D CB -0.054 40.770 40.800 0.041 0.000 1.009 450 D HN 0.023 nan 8.370 nan 0.000 0.479 451 D N -0.182 120.245 120.400 0.045 0.000 2.340 451 D HA -0.009 4.636 4.640 0.009 0.000 0.220 451 D C 0.188 176.476 176.300 -0.020 0.000 1.039 451 D CA 0.308 54.328 54.000 0.032 0.000 0.866 451 D CB 0.166 41.013 40.800 0.079 0.000 0.913 451 D HN 0.047 nan 8.370 nan 0.000 0.523 452 T N 1.632 116.158 114.554 -0.047 0.000 2.897 452 T HA 0.259 4.615 4.350 0.009 0.000 0.294 452 T C -2.525 171.998 174.700 -0.294 0.000 1.004 452 T CA -1.725 60.252 62.100 -0.204 0.000 1.106 452 T CB 1.410 70.208 68.868 -0.116 0.000 0.949 452 T HN -0.124 nan 8.240 nan 0.000 0.520 453 P HA 0.261 nan 4.420 nan 0.000 0.271 453 P C -0.923 176.282 177.300 -0.159 0.000 1.220 453 P CA -0.192 62.643 63.100 -0.441 0.000 0.768 453 P CB 0.312 31.496 31.700 -0.860 0.000 0.848 454 I N 4.070 124.621 120.570 -0.032 0.000 2.476 454 I HA 0.136 4.311 4.170 0.009 0.000 0.281 454 I C 0.448 176.583 176.117 0.030 0.000 1.040 454 I CA -1.077 60.222 61.300 -0.002 0.000 1.094 454 I CB 1.739 39.721 38.000 -0.030 0.000 1.219 454 I HN 0.105 nan 8.210 nan 0.000 0.450 455 V N 4.613 124.542 119.914 0.025 0.000 2.509 455 V HA 0.595 4.720 4.120 0.009 0.000 0.284 455 V C 0.186 176.135 176.094 -0.242 0.000 1.047 455 V CA -0.670 61.599 62.300 -0.052 0.000 0.952 455 V CB 1.195 33.004 31.823 -0.024 0.000 0.988 455 V HN 0.706 nan 8.190 nan 0.000 0.469 456 R N 3.976 124.370 120.500 -0.176 0.000 2.275 456 R HA 0.794 5.139 4.340 0.009 0.000 0.326 456 R C 0.141 176.397 176.300 -0.073 0.000 0.973 456 R CA -0.133 55.862 56.100 -0.174 0.000 0.854 456 R CB 1.613 31.876 30.300 -0.061 0.000 1.156 456 R HN 1.140 nan 8.270 nan 0.000 0.487 457 G N 0.201 108.905 108.800 -0.161 0.000 2.550 457 G HA2 0.273 4.238 3.960 0.009 0.000 0.293 457 G HA3 0.273 4.238 3.960 0.009 0.000 0.293 457 G C -1.561 173.397 174.900 0.098 0.000 1.402 457 G CA -0.507 44.733 45.100 0.234 0.000 0.784 457 G HN 0.308 nan 8.290 nan 0.000 0.482 458 S N -1.093 114.697 115.700 0.149 0.000 2.489 458 S HA 0.588 5.063 4.470 0.009 0.000 0.291 458 S C 1.227 175.925 174.600 0.162 0.000 1.151 458 S CA 0.411 58.591 58.200 -0.033 0.000 1.082 458 S CB 1.370 64.277 63.200 -0.489 0.000 1.019 458 S HN 1.548 nan 8.310 nan 0.000 0.492 459 A N 3.998 126.902 122.820 0.141 0.000 2.123 459 A HA 0.141 4.467 4.320 0.009 0.000 0.214 459 A C 1.540 179.101 177.584 -0.037 0.000 1.152 459 A CA 0.600 52.653 52.037 0.027 0.000 0.728 459 A CB -0.296 18.664 19.000 -0.066 0.000 0.814 459 A HN 0.690 nan 8.150 nan 0.000 0.464 460 L N -1.393 119.794 121.223 -0.060 0.000 2.362 460 L HA 0.247 4.592 4.340 0.009 0.000 0.204 460 L C 1.729 178.548 176.870 -0.085 0.000 1.060 460 L CA 1.335 56.126 54.840 -0.082 0.000 0.827 460 L CB -0.415 41.587 42.059 -0.095 0.000 1.027 460 L HN 0.018 nan 8.230 nan 0.000 0.474 461 K N 0.384 120.705 120.400 -0.132 0.000 2.211 461 K HA 0.026 4.351 4.320 0.009 0.000 0.204 461 K C 1.839 178.456 176.600 0.029 0.000 1.047 461 K CA 1.198 57.420 56.287 -0.107 0.000 0.935 461 K CB -0.445 31.849 32.500 -0.343 0.000 0.728 461 K HN 0.401 nan 8.250 nan 0.000 0.452 462 A N 0.378 123.228 122.820 0.051 0.000 2.169 462 A HA 0.047 4.372 4.320 0.009 0.000 0.212 462 A C 2.094 179.677 177.584 -0.002 0.000 1.153 462 A CA 0.434 52.513 52.037 0.069 0.000 0.756 462 A CB -0.231 18.824 19.000 0.091 0.000 0.813 462 A HN 0.144 nan 8.150 nan 0.000 0.471 463 L N -0.728 120.475 121.223 -0.034 0.000 2.209 463 L HA -0.034 4.311 4.340 0.009 0.000 0.207 463 L C 1.345 178.183 176.870 -0.053 0.000 1.094 463 L CA 0.758 55.558 54.840 -0.067 0.000 0.790 463 L CB -0.203 41.805 42.059 -0.085 0.000 0.932 463 L HN 0.386 nan 8.230 nan 0.000 0.447 464 E N 0.647 120.828 120.200 -0.032 0.000 2.301 464 E HA 0.106 4.461 4.350 0.009 0.000 0.195 464 E C 0.835 177.433 176.600 -0.003 0.000 1.171 464 E CA 0.261 56.648 56.400 -0.021 0.000 1.142 464 E CB -0.196 29.493 29.700 -0.019 0.000 1.218 464 E HN 0.398 nan 8.360 nan 0.000 0.448 465 G N 3.046 111.843 108.800 -0.006 0.000 2.393 465 G HA2 -0.285 3.681 3.960 0.009 0.000 0.299 465 G HA3 -0.285 3.681 3.960 0.009 0.000 0.299 465 G C -0.530 174.384 174.900 0.023 0.000 0.990 465 G CA 0.668 45.769 45.100 0.001 0.000 1.118 465 G HN 0.382 nan 8.290 nan 0.000 0.513 466 D N -0.257 120.175 120.400 0.055 0.000 2.349 466 D HA 0.655 5.301 4.640 0.009 0.000 0.232 466 D C 1.185 177.534 176.300 0.082 0.000 1.071 466 D CA 0.089 54.143 54.000 0.091 0.000 0.832 466 D CB 0.959 41.864 40.800 0.174 0.000 1.086 466 D HN 0.297 nan 8.370 nan 0.000 0.504 467 A N 3.940 126.776 122.820 0.028 0.000 2.019 467 A HA -0.152 4.174 4.320 0.009 0.000 0.219 467 A C 1.651 179.200 177.584 -0.057 0.000 1.164 467 A CA 1.297 53.325 52.037 -0.014 0.000 0.644 467 A CB -0.315 18.667 19.000 -0.030 0.000 0.805 467 A HN 0.715 nan 8.150 nan 0.000 0.449 468 E N -2.018 118.118 120.200 -0.106 0.000 2.230 468 E HA -0.118 4.237 4.350 0.009 0.000 0.192 468 E C 1.071 177.399 176.600 -0.454 0.000 0.987 468 E CA 0.842 57.056 56.400 -0.310 0.000 0.841 468 E CB -0.109 29.338 29.700 -0.422 0.000 0.783 468 E HN 0.915 nan 8.360 nan 0.000 0.481 469 W N 0.590 121.878 121.300 -0.020 0.000 3.127 469 W HA 0.257 4.922 4.660 0.009 0.000 0.344 469 W C 1.672 178.188 176.519 -0.005 0.000 1.151 469 W CA -0.475 56.864 57.345 -0.010 0.000 1.765 469 W CB 0.569 30.026 29.460 -0.005 0.000 1.085 469 W HN -0.009 nan 8.180 nan 0.000 0.596 470 E N 0.880 121.160 120.200 0.133 0.000 2.046 470 E HA -0.113 4.243 4.350 0.009 0.000 0.190 470 E C 2.233 178.853 176.600 0.033 0.000 0.982 470 E CA 1.263 57.704 56.400 0.068 0.000 0.800 470 E CB -0.121 29.592 29.700 0.022 0.000 0.756 470 E HN 0.162 nan 8.360 nan 0.000 0.449 471 A N 0.813 123.628 122.820 -0.007 0.000 2.206 471 A HA -0.060 4.265 4.320 0.009 0.000 0.211 471 A C 1.671 179.235 177.584 -0.033 0.000 1.158 471 A CA 0.606 52.623 52.037 -0.033 0.000 0.761 471 A CB -0.003 18.959 19.000 -0.063 0.000 0.801 471 A HN -0.054 nan 8.150 nan 0.000 0.473 472 K N -0.100 120.304 120.400 0.006 0.000 2.296 472 K HA 0.079 4.404 4.320 0.009 0.000 0.200 472 K C 1.573 178.230 176.600 0.095 0.000 1.048 472 K CA 0.405 56.708 56.287 0.028 0.000 0.966 472 K CB -0.278 32.271 32.500 0.081 0.000 0.754 472 K HN 0.405 nan 8.250 nan 0.000 0.466 473 I N 0.923 121.560 120.570 0.111 0.000 2.163 473 I HA -0.208 3.967 4.170 0.009 0.000 0.240 473 I C 2.039 178.160 176.117 0.006 0.000 1.081 473 I CA 1.017 62.365 61.300 0.080 0.000 1.353 473 I CB -0.902 37.111 38.000 0.021 0.000 1.054 473 I HN -0.001 nan 8.210 nan 0.000 0.407 474 L N 0.621 121.842 121.223 -0.004 0.000 2.187 474 L HA -0.210 4.136 4.340 0.009 0.000 0.213 474 L C 2.428 179.257 176.870 -0.068 0.000 1.100 474 L CA 1.462 56.303 54.840 0.002 0.000 0.765 474 L CB -0.879 41.194 42.059 0.024 0.000 0.904 474 L HN 0.327 nan 8.230 nan 0.000 0.437 475 E N -0.120 120.006 120.200 -0.123 0.000 2.150 475 E HA -0.242 4.113 4.350 0.009 0.000 0.193 475 E C 2.145 178.457 176.600 -0.480 0.000 0.985 475 E CA 0.870 57.086 56.400 -0.306 0.000 0.814 475 E CB -0.010 29.532 29.700 -0.264 0.000 0.752 475 E HN 0.356 nan 8.360 nan 0.000 0.466 476 L N 0.593 121.702 121.223 -0.191 0.000 2.049 476 L HA 0.107 4.452 4.340 0.009 0.000 0.203 476 L C 2.258 179.101 176.870 -0.045 0.000 1.074 476 L CA 1.983 56.780 54.840 -0.071 0.000 0.749 476 L CB -0.718 41.408 42.059 0.112 0.000 0.907 476 L HN 0.159 nan 8.230 nan 0.000 0.439 477 A N -0.676 122.117 122.820 -0.046 0.000 2.125 477 A HA -0.024 4.301 4.320 0.009 0.000 0.219 477 A C 2.217 179.830 177.584 0.048 0.000 1.156 477 A CA 1.260 53.296 52.037 -0.001 0.000 0.671 477 A CB -1.379 17.631 19.000 0.016 0.000 0.794 477 A HN 0.546 nan 8.150 nan 0.000 0.459 478 G N -1.132 107.640 108.800 -0.046 0.000 2.403 478 G HA2 -0.061 3.904 3.960 0.009 0.000 0.216 478 G HA3 -0.061 3.904 3.960 0.009 0.000 0.216 478 G C 1.188 176.153 174.900 0.109 0.000 1.154 478 G CA 0.916 45.992 45.100 -0.040 0.000 0.784 478 G HN 0.417 nan 8.290 nan 0.000 0.538 479 F N 0.257 120.241 119.950 0.058 0.000 2.293 479 F HA 0.210 4.741 4.527 0.007 0.000 0.297 479 F C 2.378 178.233 175.800 0.092 0.000 1.089 479 F CA -0.630 57.407 58.000 0.061 0.000 1.377 479 F CB -0.801 38.207 39.000 0.013 0.000 1.051 479 F HN -0.031 nan 8.300 nan 0.000 0.511 480 L N 0.313 121.678 121.223 0.236 0.000 2.089 480 L HA -0.252 4.093 4.340 0.009 0.000 0.213 480 L C 2.004 179.058 176.870 0.307 0.000 1.079 480 L CA 1.698 56.628 54.840 0.151 0.000 0.758 480 L CB -1.120 40.844 42.059 -0.158 0.000 0.891 480 L HN 0.064 nan 8.230 nan 0.000 0.433 481 D N -1.617 118.957 120.400 0.291 0.000 2.149 481 D HA -0.068 4.577 4.640 0.009 0.000 0.201 481 D C 2.207 178.601 176.300 0.157 0.000 0.972 481 D CA 1.539 55.677 54.000 0.229 0.000 0.835 481 D CB 0.140 41.034 40.800 0.156 0.000 0.966 481 D HN 0.450 nan 8.370 nan 0.000 0.476 482 S N -1.063 114.741 115.700 0.173 0.000 2.506 482 S HA -0.031 4.444 4.470 0.009 0.000 0.230 482 S C 1.999 176.630 174.600 0.050 0.000 1.066 482 S CA -0.257 58.010 58.200 0.111 0.000 0.940 482 S CB -0.471 62.810 63.200 0.135 0.000 0.818 482 S HN 0.226 nan 8.310 nan 0.000 0.518 483 Y N 2.240 122.506 120.300 -0.057 0.000 2.314 483 Y HA 0.423 4.979 4.550 0.010 0.000 0.294 483 Y C 0.607 176.311 175.900 -0.326 0.000 1.119 483 Y CA 0.214 58.192 58.100 -0.203 0.000 1.179 483 Y CB 0.035 38.385 38.460 -0.183 0.000 1.025 483 Y HN 0.123 nan 8.280 nan 0.000 0.541 484 I N 4.457 125.004 120.570 -0.038 0.000 2.311 484 I HA 0.151 4.326 4.170 0.009 0.000 0.297 484 I C -2.235 173.837 176.117 -0.076 0.000 1.131 484 I CA -1.885 59.376 61.300 -0.064 0.000 1.289 484 I CB 0.202 38.282 38.000 0.134 0.000 1.446 484 I HN 0.057 nan 8.210 nan 0.000 0.524 485 P HA 0.053 nan 4.420 nan 0.000 0.272 485 P C -0.214 177.084 177.300 -0.004 0.000 1.223 485 P CA -0.454 62.577 63.100 -0.116 0.000 0.784 485 P CB 0.546 32.160 31.700 -0.144 0.000 0.923 486 E N 2.680 122.881 120.200 0.002 0.000 2.465 486 E HA 0.036 4.391 4.350 0.009 0.000 0.260 486 E C -1.597 175.022 176.600 0.032 0.000 0.980 486 E CA -1.334 55.076 56.400 0.016 0.000 0.927 486 E CB -0.117 29.584 29.700 0.003 0.000 0.934 486 E HN 0.317 nan 8.360 nan 0.000 0.459 487 P HA -0.017 nan 4.420 nan 0.000 0.271 487 P C -0.724 176.599 177.300 0.039 0.000 1.216 487 P CA 0.145 63.274 63.100 0.049 0.000 0.771 487 P CB 0.631 32.363 31.700 0.054 0.000 0.864 488 E N 3.438 123.662 120.200 0.040 0.000 2.406 488 E HA -0.018 4.338 4.350 0.009 0.000 0.258 488 E C 0.002 176.623 176.600 0.036 0.000 1.043 488 E CA -0.248 56.174 56.400 0.036 0.000 0.929 488 E CB 0.343 30.065 29.700 0.037 0.000 0.969 488 E HN 0.250 nan 8.360 nan 0.000 0.462 489 R N 2.809 123.329 120.500 0.033 0.000 2.640 489 R HA -0.033 4.312 4.340 0.009 0.000 0.270 489 R C 1.105 177.429 176.300 0.039 0.000 1.024 489 R CA 0.290 56.411 56.100 0.035 0.000 1.085 489 R CB 0.349 30.668 30.300 0.030 0.000 0.963 489 R HN 0.629 nan 8.270 nan 0.000 0.426 490 A N 4.154 126.998 122.820 0.041 0.000 1.978 490 A HA -0.160 4.165 4.320 0.009 0.000 0.220 490 A C 1.872 179.484 177.584 0.046 0.000 1.170 490 A CA 1.529 53.590 52.037 0.040 0.000 0.636 490 A CB -0.676 18.347 19.000 0.038 0.000 0.810 490 A HN 0.864 nan 8.150 nan 0.000 0.448 491 I N -4.297 116.303 120.570 0.049 0.000 3.646 491 I HA 0.074 4.249 4.170 0.009 0.000 0.301 491 I C 0.091 176.244 176.117 0.059 0.000 1.276 491 I CA 0.866 62.201 61.300 0.059 0.000 1.254 491 I CB -0.182 37.850 38.000 0.054 0.000 1.020 491 I HN -0.055 nan 8.210 nan 0.000 0.473 492 D N 1.310 121.741 120.400 0.052 0.000 2.423 492 D HA 0.139 4.785 4.640 0.009 0.000 0.208 492 D C 0.508 176.840 176.300 0.054 0.000 1.068 492 D CA 0.334 54.363 54.000 0.049 0.000 0.860 492 D CB 0.417 41.240 40.800 0.039 0.000 0.992 492 D HN 0.381 nan 8.370 nan 0.000 0.504 493 K N 1.592 122.025 120.400 0.055 0.000 2.149 493 K HA 0.204 4.529 4.320 0.009 0.000 0.245 493 K C -2.302 174.343 176.600 0.074 0.000 1.024 493 K CA -1.277 55.043 56.287 0.054 0.000 0.899 493 K CB 0.176 32.700 32.500 0.041 0.000 1.038 493 K HN -0.107 nan 8.250 nan 0.000 0.496 494 P HA -0.062 nan 4.420 nan 0.000 0.266 494 P C -0.381 177.001 177.300 0.136 0.000 1.419 494 P CA -0.024 63.139 63.100 0.104 0.000 1.112 494 P CB -0.420 31.326 31.700 0.078 0.000 1.438 495 F N 4.222 124.188 119.950 0.027 0.000 2.029 495 F HA -0.205 4.326 4.527 0.007 0.000 0.400 495 F C -0.709 175.109 175.800 0.031 0.000 0.740 495 F CA 0.883 58.900 58.000 0.029 0.000 0.985 495 F CB 0.182 39.199 39.000 0.027 0.000 0.810 495 F HN 0.346 nan 8.300 nan 0.000 0.555 496 L N 7.230 127.867 121.223 -0.978 0.000 2.556 496 L HA 0.694 5.039 4.340 0.009 0.000 0.257 496 L C -2.008 174.380 176.870 -0.804 0.000 0.955 496 L CA -0.951 53.338 54.840 -0.919 0.000 0.850 496 L CB 1.761 43.613 42.059 -0.346 0.000 1.398 496 L HN 0.811 nan 8.230 nan 0.000 0.412 497 L N 5.005 125.888 121.223 -0.567 0.000 2.528 497 L HA 0.622 4.967 4.340 0.009 0.000 0.267 497 L C -2.599 174.214 176.870 -0.096 0.000 0.961 497 L CA -1.240 53.461 54.840 -0.231 0.000 0.866 497 L CB 2.579 44.587 42.059 -0.085 0.000 1.248 497 L HN 0.328 nan 8.230 nan 0.000 0.404 498 P HA 0.189 nan 4.420 nan 0.000 0.269 498 P C -0.340 176.971 177.300 0.019 0.000 1.263 498 P CA 0.255 63.349 63.100 -0.010 0.000 0.813 498 P CB 0.163 31.869 31.700 0.011 0.000 0.868 499 I N 3.663 124.246 120.570 0.023 0.000 2.587 499 I HA -0.056 4.119 4.170 0.009 0.000 0.284 499 I C 1.311 177.453 176.117 0.043 0.000 1.134 499 I CA 0.725 62.054 61.300 0.049 0.000 1.410 499 I CB 0.326 38.354 38.000 0.046 0.000 1.392 499 I HN 0.422 nan 8.210 nan 0.000 0.545 500 E N 3.247 123.487 120.200 0.066 0.000 2.431 500 E HA 0.096 4.452 4.350 0.009 0.000 0.200 500 E C -0.423 176.203 176.600 0.043 0.000 0.995 500 E CA 0.144 56.579 56.400 0.058 0.000 0.915 500 E CB 0.577 30.322 29.700 0.074 0.000 0.930 500 E HN 0.565 nan 8.360 nan 0.000 0.496 501 D N -0.621 119.809 120.400 0.050 0.000 2.720 501 D HA 0.132 4.778 4.640 0.009 0.000 0.239 501 D C -1.786 174.465 176.300 -0.082 0.000 1.218 501 D CA -0.510 53.441 54.000 -0.080 0.000 0.748 501 D CB 2.314 43.022 40.800 -0.153 0.000 1.387 501 D HN -0.145 nan 8.370 nan 0.000 0.438 502 V N 0.508 120.246 119.914 -0.292 0.000 2.443 502 V HA 0.742 4.867 4.120 0.009 0.000 0.293 502 V C -0.655 175.272 176.094 -0.279 0.000 1.021 502 V CA -0.791 61.430 62.300 -0.130 0.000 0.848 502 V CB 0.813 32.610 31.823 -0.044 0.000 0.998 502 V HN 0.322 nan 8.190 nan 0.000 0.424 503 F N 1.267 121.258 119.950 0.068 0.000 2.492 503 F HA 0.696 5.228 4.527 0.009 0.000 0.327 503 F C 0.806 176.584 175.800 -0.037 0.000 1.079 503 F CA -1.172 56.844 58.000 0.028 0.000 0.967 503 F CB 2.185 41.216 39.000 0.051 0.000 1.169 503 F HN 0.421 nan 8.300 nan 0.000 0.472 504 S N 3.166 118.952 115.700 0.144 0.000 2.695 504 S HA 0.450 4.925 4.470 0.009 0.000 0.275 504 S C -0.373 174.248 174.600 0.036 0.000 1.203 504 S CA -0.555 57.683 58.200 0.063 0.000 1.061 504 S CB -0.704 62.522 63.200 0.044 0.000 1.152 504 S HN 0.317 nan 8.310 nan 0.000 0.495 505 I N 3.269 123.823 120.570 -0.027 0.000 2.533 505 I HA 0.131 4.306 4.170 0.009 0.000 0.284 505 I C 1.000 177.108 176.117 -0.015 0.000 1.109 505 I CA 0.040 61.304 61.300 -0.059 0.000 1.412 505 I CB 0.605 38.502 38.000 -0.171 0.000 1.396 505 I HN 0.362 nan 8.210 nan 0.000 0.543 506 S N 4.730 120.435 115.700 0.009 0.000 2.481 506 S HA 0.404 4.879 4.470 0.009 0.000 0.276 506 S C 1.110 175.718 174.600 0.013 0.000 1.247 506 S CA 0.487 58.697 58.200 0.016 0.000 1.053 506 S CB 0.650 63.866 63.200 0.027 0.000 0.925 506 S HN 1.049 nan 8.310 nan 0.000 0.491 507 G N 3.379 112.183 108.800 0.008 0.000 2.175 507 G HA2 -0.217 3.749 3.960 0.009 0.000 0.244 507 G HA3 -0.217 3.749 3.960 0.009 0.000 0.244 507 G C 0.669 175.568 174.900 -0.002 0.000 0.982 507 G CA 0.340 45.443 45.100 0.005 0.000 0.641 507 G HN 0.603 nan 8.290 nan 0.000 0.527 508 R N 0.219 120.715 120.500 -0.007 0.000 2.539 508 R HA 0.442 4.787 4.340 0.009 0.000 0.342 508 R C 1.050 177.338 176.300 -0.019 0.000 0.941 508 R CA 1.125 57.216 56.100 -0.015 0.000 1.146 508 R CB 0.402 30.691 30.300 -0.018 0.000 1.541 508 R HN 1.717 nan 8.270 nan 0.000 0.525 509 G N 1.843 110.635 108.800 -0.013 0.000 2.825 509 G HA2 -0.254 3.711 3.960 0.009 0.000 0.686 509 G HA3 -0.254 3.711 3.960 0.009 0.000 0.686 509 G C -0.230 174.664 174.900 -0.009 0.000 1.362 509 G CA -0.024 45.072 45.100 -0.006 0.000 0.975 509 G HN 0.175 nan 8.290 nan 0.000 0.594 510 T N 0.018 114.576 114.554 0.007 0.000 2.870 510 T HA 0.268 4.624 4.350 0.009 0.000 0.311 510 T C 0.653 175.375 174.700 0.037 0.000 1.052 510 T CA 0.859 62.975 62.100 0.026 0.000 1.131 510 T CB 1.052 69.941 68.868 0.036 0.000 1.082 510 T HN 1.897 nan 8.240 nan 0.000 0.511 511 V N 3.769 123.730 119.914 0.079 0.000 2.891 511 V HA 0.650 4.776 4.120 0.009 0.000 0.304 511 V C -0.735 175.539 176.094 0.300 0.000 1.171 511 V CA -0.791 61.586 62.300 0.128 0.000 0.943 511 V CB 2.216 34.032 31.823 -0.011 0.000 1.037 511 V HN 0.909 nan 8.190 nan 0.000 0.427 512 V N 2.959 123.042 119.914 0.283 0.000 2.732 512 V HA 0.959 5.084 4.120 0.009 0.000 0.310 512 V C -0.016 176.296 176.094 0.363 0.000 1.053 512 V CA 0.009 62.501 62.300 0.319 0.000 0.957 512 V CB 1.662 33.604 31.823 0.198 0.000 1.018 512 V HN 1.123 nan 8.190 nan 0.000 0.452 513 T N 0.443 115.224 114.554 0.379 0.000 2.829 513 T HA 0.925 5.281 4.350 0.009 0.000 0.280 513 T C 0.023 174.825 174.700 0.170 0.000 0.999 513 T CA 0.070 62.325 62.100 0.260 0.000 0.983 513 T CB 1.213 70.220 68.868 0.233 0.000 0.968 513 T HN 1.716 nan 8.240 nan 0.000 0.446 514 G N 1.181 110.055 108.800 0.123 0.000 2.619 514 G HA2 0.615 4.581 3.960 0.009 0.000 0.305 514 G HA3 0.615 4.581 3.960 0.009 0.000 0.305 514 G C -1.785 173.156 174.900 0.069 0.000 1.330 514 G CA -1.178 43.975 45.100 0.088 0.000 0.789 514 G HN 0.845 nan 8.290 nan 0.000 0.487 515 R N -0.074 120.456 120.500 0.051 0.000 2.437 515 R HA 0.539 4.884 4.340 0.009 0.000 0.310 515 R C -0.680 175.643 176.300 0.038 0.000 0.955 515 R CA -0.579 55.548 56.100 0.045 0.000 0.851 515 R CB 1.797 32.114 30.300 0.029 0.000 1.161 515 R HN 0.594 nan 8.270 nan 0.000 0.446 516 V N 5.291 125.242 119.914 0.061 0.000 2.425 516 V HA 0.004 4.129 4.120 0.009 0.000 0.276 516 V C 1.030 177.129 176.094 0.007 0.000 1.017 516 V CA 0.667 62.994 62.300 0.046 0.000 1.062 516 V CB 0.862 32.782 31.823 0.161 0.000 0.997 516 V HN 1.031 nan 8.190 nan 0.000 0.476 517 E N 5.931 126.099 120.200 -0.053 0.000 2.031 517 E HA -0.064 4.292 4.350 0.009 0.000 0.193 517 E C 0.938 177.528 176.600 -0.016 0.000 0.994 517 E CA 1.277 57.656 56.400 -0.035 0.000 0.800 517 E CB 0.242 29.907 29.700 -0.058 0.000 0.752 517 E HN 0.871 nan 8.360 nan 0.000 0.447 518 R N -1.930 118.548 120.500 -0.037 0.000 2.716 518 R HA 0.491 4.837 4.340 0.009 0.000 0.271 518 R C -0.132 176.203 176.300 0.059 0.000 1.028 518 R CA -0.273 55.834 56.100 0.012 0.000 0.883 518 R CB 0.914 31.216 30.300 0.003 0.000 1.250 518 R HN 0.183 nan 8.270 nan 0.000 0.465 519 G N 0.813 109.679 108.800 0.110 0.000 2.750 519 G HA2 -0.108 3.857 3.960 0.009 0.000 0.228 519 G HA3 -0.108 3.857 3.960 0.009 0.000 0.228 519 G C -1.188 173.867 174.900 0.258 0.000 1.367 519 G CA -0.015 45.196 45.100 0.185 0.000 0.871 519 G HN 0.609 nan 8.290 nan 0.000 0.560 520 I N -0.156 120.565 120.570 0.251 0.000 2.730 520 I HA 0.707 4.882 4.170 0.009 0.000 0.298 520 I C -0.089 175.974 176.117 -0.090 0.000 1.089 520 I CA -0.769 60.611 61.300 0.134 0.000 1.041 520 I CB 1.969 40.002 38.000 0.055 0.000 1.235 520 I HN 0.733 nan 8.210 nan 0.000 0.423 521 I N 5.734 126.155 120.570 -0.249 0.000 2.448 521 I HA 0.388 4.564 4.170 0.009 0.000 0.281 521 I C -1.052 174.928 176.117 -0.228 0.000 1.027 521 I CA -0.586 60.409 61.300 -0.508 0.000 1.111 521 I CB 0.509 37.884 38.000 -1.042 0.000 1.236 521 I HN 0.484 nan 8.210 nan 0.000 0.452 522 K N 7.400 127.698 120.400 -0.169 0.000 2.253 522 K HA 0.293 4.618 4.320 0.009 0.000 0.277 522 K C -0.149 176.398 176.600 -0.089 0.000 1.053 522 K CA -0.678 55.552 56.287 -0.095 0.000 0.892 522 K CB 1.648 34.108 32.500 -0.066 0.000 1.102 522 K HN 0.554 nan 8.250 nan 0.000 0.469 523 V N 0.894 120.769 119.914 -0.066 0.000 2.798 523 V HA -0.008 4.117 4.120 0.009 0.000 0.295 523 V C 1.016 177.080 176.094 -0.050 0.000 1.066 523 V CA 1.109 63.377 62.300 -0.053 0.000 1.244 523 V CB -0.861 30.939 31.823 -0.038 0.000 0.829 523 V HN 1.106 nan 8.190 nan 0.000 0.464 524 G N 2.152 110.921 108.800 -0.051 0.000 2.192 524 G HA2 -0.153 3.812 3.960 0.009 0.000 0.193 524 G HA3 -0.153 3.812 3.960 0.009 0.000 0.193 524 G C -0.024 174.849 174.900 -0.046 0.000 0.999 524 G CA 0.122 45.197 45.100 -0.041 0.000 0.659 524 G HN 0.900 nan 8.290 nan 0.000 0.503 525 E N 0.216 120.375 120.200 -0.067 0.000 2.385 525 E HA 0.514 4.869 4.350 0.009 0.000 0.254 525 E C -0.204 176.363 176.600 -0.056 0.000 1.228 525 E CA -0.407 55.951 56.400 -0.069 0.000 0.956 525 E CB 0.815 30.450 29.700 -0.108 0.000 1.116 525 E HN 0.314 nan 8.360 nan 0.000 0.507 526 E N 1.204 121.380 120.200 -0.040 0.000 2.129 526 E HA 0.234 4.590 4.350 0.009 0.000 0.268 526 E C -0.780 175.820 176.600 0.001 0.000 0.900 526 E CA -0.420 55.970 56.400 -0.016 0.000 0.755 526 E CB 1.503 31.201 29.700 -0.004 0.000 1.117 526 E HN 0.243 nan 8.360 nan 0.000 0.410 527 V N 0.307 120.231 119.914 0.018 0.000 3.096 527 V HA 0.515 4.640 4.120 0.009 0.000 0.319 527 V C 0.132 176.271 176.094 0.074 0.000 1.082 527 V CA -0.847 61.498 62.300 0.075 0.000 1.022 527 V CB 1.638 33.534 31.823 0.120 0.000 1.103 527 V HN 0.533 nan 8.190 nan 0.000 0.455 528 E N 0.883 121.140 120.200 0.096 0.000 2.263 528 E HA 0.562 4.918 4.350 0.009 0.000 0.264 528 E C -1.101 175.538 176.600 0.065 0.000 0.923 528 E CA -0.780 55.657 56.400 0.062 0.000 0.802 528 E CB 2.985 32.712 29.700 0.045 0.000 1.228 528 E HN 0.814 nan 8.360 nan 0.000 0.417 529 I N 1.924 122.516 120.570 0.038 0.000 2.428 529 I HA 0.393 4.568 4.170 0.009 0.000 0.279 529 I C -1.418 174.700 176.117 0.000 0.000 1.040 529 I CA -0.573 60.743 61.300 0.027 0.000 1.171 529 I CB 0.873 38.891 38.000 0.029 0.000 1.312 529 I HN 0.236 nan 8.210 nan 0.000 0.470 530 V N 6.932 126.839 119.914 -0.011 0.000 2.769 530 V HA 1.039 5.164 4.120 0.009 0.000 0.312 530 V C 0.166 176.228 176.094 -0.053 0.000 1.061 530 V CA 0.790 63.069 62.300 -0.035 0.000 0.931 530 V CB 1.492 33.291 31.823 -0.039 0.000 1.010 530 V HN 1.021 nan 8.190 nan 0.000 0.433 531 G N 4.396 113.154 108.800 -0.070 0.000 2.010 531 G HA2 -0.062 3.903 3.960 0.009 0.000 0.088 531 G HA3 -0.062 3.903 3.960 0.009 0.000 0.088 531 G C 0.492 175.344 174.900 -0.079 0.000 1.216 531 G CA 0.260 45.309 45.100 -0.085 0.000 1.074 531 G HN 0.849 nan 8.290 nan 0.000 0.300 532 I N 1.413 121.940 120.570 -0.072 0.000 2.584 532 I HA 0.267 4.442 4.170 0.009 0.000 0.255 532 I C 1.103 177.171 176.117 -0.083 0.000 1.145 532 I CA 0.945 62.198 61.300 -0.079 0.000 1.462 532 I CB -0.142 37.793 38.000 -0.110 0.000 1.102 532 I HN -0.019 nan 8.210 nan 0.000 0.433 533 K N 1.359 121.717 120.400 -0.071 0.000 2.221 533 K HA 0.250 4.575 4.320 0.009 0.000 0.243 533 K C -0.050 176.520 176.600 -0.049 0.000 0.968 533 K CA -0.835 55.416 56.287 -0.060 0.000 0.846 533 K CB 1.474 33.940 32.500 -0.056 0.000 1.141 533 K HN -0.023 nan 8.250 nan 0.000 0.434 534 E N 2.055 122.230 120.200 -0.042 0.000 2.966 534 E HA -0.148 4.207 4.350 0.009 0.000 0.254 534 E C -0.517 176.061 176.600 -0.036 0.000 0.923 534 E CA 0.450 56.828 56.400 -0.037 0.000 0.960 534 E CB 0.372 30.055 29.700 -0.029 0.000 0.901 534 E HN 0.515 nan 8.360 nan 0.000 0.525 535 T N 4.131 118.661 114.554 -0.041 0.000 2.822 535 T HA -0.064 4.291 4.350 0.009 0.000 0.288 535 T C -0.133 174.556 174.700 -0.020 0.000 0.991 535 T CA 0.405 62.485 62.100 -0.034 0.000 1.176 535 T CB 0.368 69.212 68.868 -0.040 0.000 0.951 535 T HN 0.509 nan 8.240 nan 0.000 0.526 536 Q N 3.121 122.914 119.800 -0.012 0.000 2.306 536 Q HA 0.655 5.000 4.340 0.009 0.000 0.269 536 Q C -0.362 175.642 176.000 0.006 0.000 1.053 536 Q CA -1.219 54.582 55.803 -0.004 0.000 0.879 536 Q CB 1.896 30.632 28.738 -0.003 0.000 1.344 536 Q HN 0.796 nan 8.270 nan 0.000 0.464 537 K N -1.002 119.403 120.400 0.009 0.000 2.378 537 K HA 0.839 5.164 4.320 0.009 0.000 0.244 537 K C -0.486 176.124 176.600 0.017 0.000 1.039 537 K CA -0.776 55.521 56.287 0.017 0.000 0.863 537 K CB 2.173 34.681 32.500 0.015 0.000 1.326 537 K HN 0.532 nan 8.250 nan 0.000 0.460 538 S N -0.877 114.835 115.700 0.021 0.000 3.930 538 S HA 0.444 4.919 4.470 0.009 0.000 0.291 538 S C -1.701 172.908 174.600 0.014 0.000 1.078 538 S CA 0.022 58.232 58.200 0.018 0.000 1.259 538 S CB 1.118 64.332 63.200 0.023 0.000 1.724 538 S HN 0.918 nan 8.310 nan 0.000 0.513 539 T N 0.358 114.919 114.554 0.012 0.000 3.087 539 T HA 0.376 4.731 4.350 0.009 0.000 0.351 539 T C -1.184 173.516 174.700 -0.001 0.000 1.520 539 T CA -0.076 62.024 62.100 0.001 0.000 1.111 539 T CB 0.623 69.488 68.868 -0.005 0.000 1.353 539 T HN 1.059 nan 8.240 nan 0.000 0.481 540 C N 4.904 124.194 119.300 -0.017 0.000 2.566 540 C HA 0.651 5.116 4.460 0.009 0.000 0.393 540 C C 1.843 176.823 174.990 -0.017 0.000 1.309 540 C CA 0.536 59.543 59.018 -0.018 0.000 1.801 540 C CB -0.935 26.772 27.740 -0.055 0.000 2.493 540 C HN 0.989 nan 8.230 nan 0.000 0.575 541 T N 2.504 117.055 114.554 -0.004 0.000 3.214 541 T HA 0.544 4.899 4.350 0.009 0.000 0.264 541 T C 0.449 175.143 174.700 -0.010 0.000 1.012 541 T CA 0.503 62.598 62.100 -0.009 0.000 0.901 541 T CB -0.582 68.283 68.868 -0.005 0.000 1.070 541 T HN 2.006 nan 8.240 nan 0.000 0.561 542 G N 0.044 108.840 108.800 -0.007 0.000 2.321 542 G HA2 0.376 4.342 3.960 0.009 0.000 0.339 542 G HA3 0.376 4.342 3.960 0.009 0.000 0.339 542 G C -1.890 173.022 174.900 0.020 0.000 1.518 542 G CA -0.532 44.564 45.100 -0.007 0.000 0.994 542 G HN 0.524 nan 8.290 nan 0.000 0.668 543 V N 1.476 121.401 119.914 0.019 0.000 2.569 543 V HA 0.727 4.852 4.120 0.009 0.000 0.301 543 V C -0.257 175.879 176.094 0.071 0.000 1.044 543 V CA -0.458 61.876 62.300 0.056 0.000 0.874 543 V CB 1.532 33.377 31.823 0.038 0.000 1.002 543 V HN 1.073 nan 8.190 nan 0.000 0.424 544 E N 5.792 126.081 120.200 0.147 0.000 2.340 544 E HA 0.756 5.111 4.350 0.009 0.000 0.273 544 E C -1.143 175.629 176.600 0.286 0.000 0.891 544 E CA -1.003 55.528 56.400 0.218 0.000 0.757 544 E CB 2.658 32.534 29.700 0.292 0.000 1.231 544 E HN 0.444 nan 8.360 nan 0.000 0.439 545 M N 0.941 120.729 119.600 0.312 0.000 2.634 545 M HA 0.316 4.802 4.480 0.009 0.000 0.251 545 M C 0.576 177.110 176.300 0.390 0.000 1.092 545 M CA -0.746 54.720 55.300 0.277 0.000 1.015 545 M CB 0.309 33.032 32.600 0.205 0.000 1.427 545 M HN 0.683 nan 8.290 nan 0.000 0.580 546 F N 0.965 120.993 119.950 0.130 0.000 2.187 546 F HA 0.000 4.533 4.527 0.008 0.000 0.295 546 F C 2.126 178.031 175.800 0.174 0.000 1.091 546 F CA 1.470 59.526 58.000 0.094 0.000 1.308 546 F CB 0.008 39.014 39.000 0.010 0.000 1.030 546 F HN 0.361 nan 8.300 nan 0.000 0.487 547 R N 1.021 121.620 120.500 0.166 0.000 2.040 547 R HA 0.087 4.432 4.340 0.009 0.000 0.219 547 R C 0.331 176.702 176.300 0.119 0.000 1.216 547 R CA 0.626 56.768 56.100 0.070 0.000 0.952 547 R CB -0.827 29.576 30.300 0.172 0.000 0.833 547 R HN 0.026 nan 8.270 nan 0.000 0.456 548 K N 2.129 122.629 120.400 0.168 0.000 2.130 548 K HA 0.252 4.577 4.320 0.009 0.000 0.268 548 K C -0.713 176.005 176.600 0.198 0.000 0.983 548 K CA -0.425 55.961 56.287 0.166 0.000 0.893 548 K CB 1.737 34.294 32.500 0.095 0.000 1.066 548 K HN 0.140 nan 8.250 nan 0.000 0.450 549 L N 4.651 125.915 121.223 0.069 0.000 2.257 549 L HA 0.283 4.628 4.340 0.009 0.000 0.290 549 L C -0.385 176.454 176.870 -0.052 0.000 1.044 549 L CA -0.662 54.123 54.840 -0.092 0.000 0.810 549 L CB 0.516 42.227 42.059 -0.579 0.000 1.193 549 L HN 0.597 nan 8.230 nan 0.000 0.425 550 L N 2.980 124.203 121.223 0.000 0.000 2.635 550 L HA 0.485 4.830 4.340 0.009 0.000 0.250 550 L C 0.241 177.101 176.870 -0.017 0.000 1.117 550 L CA -0.646 54.194 54.840 0.002 0.000 0.834 550 L CB 0.502 42.579 42.059 0.031 0.000 1.544 550 L HN 0.566 nan 8.230 nan 0.000 0.511 551 D N -2.681 117.712 120.400 -0.012 0.000 2.514 551 D HA 0.078 4.723 4.640 0.009 0.000 0.225 551 D C -0.257 176.031 176.300 -0.020 0.000 1.159 551 D CA -0.165 53.822 54.000 -0.021 0.000 0.823 551 D CB 0.327 41.112 40.800 -0.026 0.000 1.097 551 D HN 0.669 nan 8.370 nan 0.000 0.519 552 E N -0.480 119.716 120.200 -0.007 0.000 2.352 552 E HA 0.586 4.942 4.350 0.009 0.000 0.280 552 E C -0.608 176.002 176.600 0.017 0.000 0.930 552 E CA -1.443 54.950 56.400 -0.011 0.000 0.765 552 E CB 1.503 31.195 29.700 -0.014 0.000 1.219 552 E HN -0.004 nan 8.360 nan 0.000 0.434 553 G N 1.873 110.687 108.800 0.023 0.000 2.377 553 G HA2 0.487 4.452 3.960 0.009 0.000 0.299 553 G HA3 0.487 4.452 3.960 0.009 0.000 0.299 553 G C -0.835 174.120 174.900 0.091 0.000 1.150 553 G CA -0.740 44.406 45.100 0.077 0.000 0.847 553 G HN 0.435 nan 8.290 nan 0.000 0.501 554 R N 1.443 121.999 120.500 0.095 0.000 2.534 554 R HA 0.555 4.900 4.340 0.009 0.000 0.301 554 R C 0.355 176.714 176.300 0.098 0.000 0.961 554 R CA -0.660 55.495 56.100 0.091 0.000 0.871 554 R CB 1.461 31.799 30.300 0.063 0.000 1.170 554 R HN 0.712 nan 8.270 nan 0.000 0.446 555 A N 2.201 125.085 122.820 0.106 0.000 2.591 555 A HA 0.297 4.622 4.320 0.009 0.000 0.244 555 A C 1.219 178.840 177.584 0.061 0.000 1.031 555 A CA 1.415 53.504 52.037 0.085 0.000 0.767 555 A CB -0.469 18.576 19.000 0.075 0.000 0.942 555 A HN 1.113 nan 8.150 nan 0.000 0.514 556 G N 1.804 110.635 108.800 0.052 0.000 2.231 556 G HA2 -0.149 3.817 3.960 0.009 0.000 0.206 556 G HA3 -0.149 3.817 3.960 0.009 0.000 0.206 556 G C -0.026 174.897 174.900 0.039 0.000 0.996 556 G CA 0.214 45.337 45.100 0.039 0.000 0.645 556 G HN 0.828 nan 8.290 nan 0.000 0.498 557 E N 0.168 120.399 120.200 0.052 0.000 2.242 557 E HA 0.429 4.785 4.350 0.009 0.000 0.275 557 E C -0.527 176.103 176.600 0.051 0.000 1.002 557 E CA -0.624 55.807 56.400 0.051 0.000 0.841 557 E CB 0.865 30.604 29.700 0.064 0.000 1.109 557 E HN 0.275 nan 8.360 nan 0.000 0.394 558 N N 1.657 120.379 118.700 0.036 0.000 2.868 558 N HA 0.106 4.851 4.740 0.009 0.000 0.252 558 N C -0.756 174.779 175.510 0.042 0.000 1.130 558 N CA -0.320 52.746 53.050 0.027 0.000 1.026 558 N CB 0.553 39.034 38.487 -0.010 0.000 1.335 558 N HN 0.196 nan 8.380 nan 0.000 0.516 559 V N -1.064 118.894 119.914 0.073 0.000 2.975 559 V HA 0.898 5.023 4.120 0.009 0.000 0.318 559 V C 0.737 176.898 176.094 0.112 0.000 1.077 559 V CA -0.930 61.430 62.300 0.099 0.000 1.000 559 V CB 1.511 33.406 31.823 0.120 0.000 1.066 559 V HN 0.289 nan 8.190 nan 0.000 0.452 560 G N 0.007 108.893 108.800 0.144 0.000 2.432 560 G HA2 0.631 4.597 3.960 0.009 0.000 0.331 560 G HA3 0.631 4.597 3.960 0.009 0.000 0.331 560 G C -1.342 173.686 174.900 0.213 0.000 1.170 560 G CA -0.762 44.458 45.100 0.200 0.000 0.943 560 G HN 0.969 nan 8.290 nan 0.000 0.483 561 V N 2.275 122.318 119.914 0.215 0.000 2.483 561 V HA 0.325 4.450 4.120 0.009 0.000 0.297 561 V C 0.045 176.223 176.094 0.141 0.000 1.027 561 V CA -0.591 61.807 62.300 0.163 0.000 0.855 561 V CB 1.484 33.400 31.823 0.156 0.000 0.995 561 V HN 0.632 nan 8.190 nan 0.000 0.424 562 L N 5.458 126.742 121.223 0.102 0.000 2.380 562 L HA 0.399 4.744 4.340 0.009 0.000 0.273 562 L C -0.489 176.409 176.870 0.046 0.000 1.138 562 L CA 0.041 54.920 54.840 0.065 0.000 0.832 562 L CB 1.076 43.160 42.059 0.042 0.000 1.124 562 L HN 0.437 nan 8.230 nan 0.000 0.454 563 L N 3.690 124.938 121.223 0.040 0.000 2.230 563 L HA 0.695 5.041 4.340 0.009 0.000 0.255 563 L C -0.305 176.576 176.870 0.019 0.000 1.039 563 L CA -0.480 54.379 54.840 0.032 0.000 0.846 563 L CB 1.922 44.008 42.059 0.045 0.000 1.419 563 L HN 0.612 nan 8.230 nan 0.000 0.435 564 R N -1.148 119.361 120.500 0.015 0.000 2.739 564 R HA 0.649 4.995 4.340 0.009 0.000 0.271 564 R C 0.062 176.368 176.300 0.010 0.000 1.010 564 R CA -0.277 55.829 56.100 0.009 0.000 0.897 564 R CB 1.236 31.538 30.300 0.003 0.000 1.236 564 R HN 0.771 nan 8.270 nan 0.000 0.466 565 G N 0.808 109.612 108.800 0.007 0.000 2.225 565 G HA2 -0.248 3.718 3.960 0.009 0.000 0.267 565 G HA3 -0.248 3.718 3.960 0.009 0.000 0.267 565 G C -0.462 174.443 174.900 0.008 0.000 1.024 565 G CA 0.877 45.980 45.100 0.006 0.000 0.784 565 G HN 0.724 nan 8.290 nan 0.000 0.507 566 I N -0.478 120.099 120.570 0.011 0.000 2.599 566 I HA 0.439 4.615 4.170 0.009 0.000 0.285 566 I C 0.090 176.215 176.117 0.013 0.000 1.168 566 I CA -1.177 60.131 61.300 0.012 0.000 1.060 566 I CB 0.779 38.790 38.000 0.018 0.000 1.249 566 I HN 0.156 nan 8.210 nan 0.000 0.442 567 K N 4.787 125.192 120.400 0.009 0.000 2.132 567 K HA 0.304 4.629 4.320 0.009 0.000 0.240 567 K C 0.731 177.337 176.600 0.009 0.000 1.036 567 K CA -0.375 55.917 56.287 0.008 0.000 0.888 567 K CB 0.494 32.996 32.500 0.004 0.000 1.071 567 K HN 0.617 nan 8.250 nan 0.000 0.502 568 R N 0.376 120.881 120.500 0.008 0.000 2.317 568 R HA -0.030 4.315 4.340 0.009 0.000 0.208 568 R C 0.950 177.242 176.300 -0.012 0.000 0.914 568 R CA 0.793 56.895 56.100 0.004 0.000 1.060 568 R CB 0.074 30.380 30.300 0.010 0.000 1.015 568 R HN 0.647 nan 8.270 nan 0.000 0.498 569 E N 1.477 121.670 120.200 -0.012 0.000 2.501 569 E HA -0.012 4.343 4.350 0.009 0.000 0.201 569 E C -0.228 176.360 176.600 -0.021 0.000 1.016 569 E CA 0.099 56.487 56.400 -0.020 0.000 0.920 569 E CB 0.154 29.843 29.700 -0.018 0.000 1.023 569 E HN 0.677 nan 8.360 nan 0.000 0.474 570 E N 1.252 121.443 120.200 -0.015 0.000 2.419 570 E HA 0.327 4.683 4.350 0.009 0.000 0.190 570 E C 0.279 176.869 176.600 -0.016 0.000 1.040 570 E CA 0.036 56.427 56.400 -0.016 0.000 0.900 570 E CB 0.314 30.009 29.700 -0.008 0.000 1.054 570 E HN 0.270 nan 8.360 nan 0.000 0.462 571 I N 0.761 121.320 120.570 -0.019 0.000 2.802 571 I HA 0.323 4.498 4.170 0.009 0.000 0.298 571 I C -0.519 175.579 176.117 -0.032 0.000 1.176 571 I CA -0.903 60.386 61.300 -0.018 0.000 1.025 571 I CB 2.498 40.498 38.000 -0.001 0.000 1.243 571 I HN -0.104 nan 8.210 nan 0.000 0.424 572 E N 3.080 123.259 120.200 -0.034 0.000 2.314 572 E HA 0.352 4.707 4.350 0.009 0.000 0.272 572 E C -1.053 175.527 176.600 -0.033 0.000 0.884 572 E CA -1.083 55.292 56.400 -0.042 0.000 0.753 572 E CB 3.023 32.690 29.700 -0.056 0.000 1.213 572 E HN 0.408 nan 8.360 nan 0.000 0.432 573 R N 1.026 121.506 120.500 -0.033 0.000 2.446 573 R HA 0.115 4.461 4.340 0.009 0.000 0.325 573 R C 0.463 176.748 176.300 -0.024 0.000 0.997 573 R CA 1.510 57.598 56.100 -0.021 0.000 1.010 573 R CB -0.349 29.941 30.300 -0.016 0.000 0.946 573 R HN 0.885 nan 8.270 nan 0.000 0.422 574 G N 3.207 111.993 108.800 -0.023 0.000 3.345 574 G HA2 -0.208 3.757 3.960 0.009 0.000 0.199 574 G HA3 -0.208 3.757 3.960 0.009 0.000 0.199 574 G C -0.397 174.482 174.900 -0.036 0.000 1.057 574 G CA -0.129 44.950 45.100 -0.035 0.000 0.865 574 G HN 0.653 nan 8.290 nan 0.000 0.449 575 Q N 1.121 120.901 119.800 -0.034 0.000 2.368 575 Q HA 0.650 4.996 4.340 0.009 0.000 0.237 575 Q C 0.292 176.278 176.000 -0.024 0.000 0.987 575 Q CA -0.275 55.506 55.803 -0.037 0.000 0.896 575 Q CB 2.238 30.955 28.738 -0.035 0.000 1.241 575 Q HN 0.982 nan 8.270 nan 0.000 0.485 576 V N -0.515 119.381 119.914 -0.030 0.000 2.630 576 V HA 0.505 4.631 4.120 0.009 0.000 0.305 576 V C -0.689 175.397 176.094 -0.015 0.000 1.046 576 V CA -1.207 61.072 62.300 -0.036 0.000 0.934 576 V CB 1.461 33.248 31.823 -0.059 0.000 1.003 576 V HN 0.706 nan 8.190 nan 0.000 0.451 577 L N 4.703 125.915 121.223 -0.018 0.000 2.288 577 L HA 0.842 5.187 4.340 0.009 0.000 0.283 577 L C 0.303 177.189 176.870 0.027 0.000 1.072 577 L CA 0.134 55.022 54.840 0.080 0.000 0.862 577 L CB -0.028 42.144 42.059 0.188 0.000 1.245 577 L HN 1.156 nan 8.230 nan 0.000 0.432 578 A N 4.370 127.257 122.820 0.111 0.000 2.435 578 A HA 0.509 4.834 4.320 0.009 0.000 0.304 578 A C -0.528 177.224 177.584 0.280 0.000 1.064 578 A CA -0.859 51.250 52.037 0.121 0.000 0.727 578 A CB 1.013 20.010 19.000 -0.006 0.000 1.284 578 A HN 0.520 nan 8.150 nan 0.000 0.415 579 K N 2.572 123.204 120.400 0.387 0.000 2.524 579 K HA 0.115 4.440 4.320 0.009 0.000 0.279 579 K C -2.114 174.559 176.600 0.122 0.000 0.993 579 K CA -1.020 55.400 56.287 0.221 0.000 1.030 579 K CB 0.265 32.882 32.500 0.195 0.000 0.891 579 K HN 0.432 nan 8.250 nan 0.000 0.488 580 P HA -0.097 nan 4.420 nan 0.000 0.262 580 P C 0.522 177.849 177.300 0.045 0.000 1.182 580 P CA 1.072 64.204 63.100 0.053 0.000 0.761 580 P CB 0.540 32.263 31.700 0.038 0.000 0.795 581 G N 2.792 111.613 108.800 0.036 0.000 2.299 581 G HA2 -0.333 3.632 3.960 0.009 0.000 0.237 581 G HA3 -0.333 3.632 3.960 0.009 0.000 0.237 581 G C 1.287 176.209 174.900 0.037 0.000 1.027 581 G CA 0.595 45.714 45.100 0.032 0.000 0.619 581 G HN 0.450 nan 8.290 nan 0.000 0.513 582 T N 0.140 114.721 114.554 0.045 0.000 2.620 582 T HA -0.019 4.336 4.350 0.009 0.000 0.267 582 T C 1.204 175.927 174.700 0.037 0.000 1.044 582 T CA 1.757 63.884 62.100 0.045 0.000 1.161 582 T CB 0.007 68.908 68.868 0.055 0.000 0.862 582 T HN 1.062 nan 8.240 nan 0.000 0.438 583 I N -0.230 120.357 120.570 0.029 0.000 2.722 583 I HA 0.470 4.645 4.170 0.009 0.000 0.295 583 I C -1.743 174.377 176.117 0.005 0.000 1.161 583 I CA -1.032 60.284 61.300 0.027 0.000 1.032 583 I CB 1.817 39.824 38.000 0.011 0.000 1.244 583 I HN -0.213 nan 8.210 nan 0.000 0.421 584 K N 7.110 127.519 120.400 0.014 0.000 2.375 584 K HA 0.574 4.899 4.320 0.009 0.000 0.249 584 K C -2.767 173.635 176.600 -0.331 0.000 0.942 584 K CA -1.874 54.345 56.287 -0.114 0.000 0.806 584 K CB 2.313 34.759 32.500 -0.090 0.000 1.227 584 K HN 0.371 nan 8.250 nan 0.000 0.430 585 P HA 0.189 nan 4.420 nan 0.000 0.276 585 P C -0.836 176.059 177.300 -0.675 0.000 1.235 585 P CA 0.155 63.018 63.100 -0.395 0.000 0.772 585 P CB 0.719 32.279 31.700 -0.233 0.000 0.871 586 H N 1.071 120.104 119.070 -0.062 0.000 2.980 586 H HA 0.299 4.860 4.556 0.008 0.000 0.367 586 H C 0.739 176.043 175.328 -0.040 0.000 1.206 586 H CA -0.477 55.551 56.048 -0.033 0.000 1.126 586 H CB 2.094 31.856 29.762 0.000 0.000 1.838 586 H HN 0.368 nan 8.280 nan 0.000 0.552 587 T N -2.147 112.462 114.554 0.092 0.000 2.975 587 T HA 0.205 4.561 4.350 0.009 0.000 0.257 587 T C 0.469 175.125 174.700 -0.073 0.000 1.003 587 T CA -0.057 62.037 62.100 -0.010 0.000 0.932 587 T CB 0.848 69.692 68.868 -0.040 0.000 1.087 587 T HN 0.316 nan 8.240 nan 0.000 0.512 588 K N 0.881 121.267 120.400 -0.023 0.000 2.471 588 K HA 0.610 4.935 4.320 0.009 0.000 0.252 588 K C -1.720 174.861 176.600 -0.031 0.000 0.938 588 K CA -1.115 55.091 56.287 -0.135 0.000 0.796 588 K CB 1.452 33.893 32.500 -0.098 0.000 1.161 588 K HN 0.321 nan 8.250 nan 0.000 0.425 589 F N 0.460 120.363 119.950 -0.078 0.000 2.662 589 F HA 0.485 5.018 4.527 0.010 0.000 0.312 589 F C -1.360 174.426 175.800 -0.024 0.000 1.113 589 F CA -1.156 56.809 58.000 -0.060 0.000 0.951 589 F CB 1.058 40.021 39.000 -0.062 0.000 1.344 589 F HN 0.439 nan 8.300 nan 0.000 0.462 590 E N 1.144 121.541 120.200 0.328 0.000 2.187 590 E HA 0.712 5.067 4.350 0.009 0.000 0.268 590 E C -1.241 175.599 176.600 0.401 0.000 0.896 590 E CA -0.795 55.769 56.400 0.274 0.000 0.766 590 E CB 2.102 31.884 29.700 0.136 0.000 1.142 590 E HN 0.886 nan 8.360 nan 0.000 0.408 591 S N 2.456 118.417 115.700 0.436 0.000 2.811 591 S HA 0.574 5.050 4.470 0.009 0.000 0.311 591 S C -0.732 174.059 174.600 0.318 0.000 1.152 591 S CA -1.078 57.383 58.200 0.435 0.000 0.864 591 S CB 1.401 65.036 63.200 0.725 0.000 1.226 591 S HN 0.612 nan 8.310 nan 0.000 0.541 592 E N 0.352 120.712 120.200 0.266 0.000 2.241 592 E HA 0.576 4.931 4.350 0.009 0.000 0.263 592 E C -1.036 175.654 176.600 0.151 0.000 0.882 592 E CA -0.930 55.584 56.400 0.191 0.000 0.769 592 E CB 2.106 31.890 29.700 0.140 0.000 1.185 592 E HN 0.695 nan 8.360 nan 0.000 0.415 593 V N 0.742 120.751 119.914 0.158 0.000 2.960 593 V HA 0.595 4.721 4.120 0.009 0.000 0.315 593 V C -1.383 174.784 176.094 0.121 0.000 1.087 593 V CA -0.804 61.552 62.300 0.093 0.000 0.982 593 V CB 1.525 33.424 31.823 0.127 0.000 1.039 593 V HN 0.707 nan 8.190 nan 0.000 0.437 594 Y N 5.122 125.401 120.300 -0.035 0.000 2.341 594 Y HA 0.736 5.291 4.550 0.009 0.000 0.337 594 Y C -0.243 175.645 175.900 -0.021 0.000 1.014 594 Y CA -1.110 56.971 58.100 -0.031 0.000 1.111 594 Y CB 1.566 39.992 38.460 -0.057 0.000 1.194 594 Y HN 0.961 nan 8.280 nan 0.000 0.462 595 I N 6.503 126.687 120.570 -0.644 0.000 2.377 595 I HA 0.451 4.626 4.170 0.009 0.000 0.293 595 I C -1.214 174.408 176.117 -0.825 0.000 0.987 595 I CA -0.724 60.272 61.300 -0.506 0.000 1.185 595 I CB 1.051 38.929 38.000 -0.203 0.000 1.341 595 I HN 0.626 nan 8.210 nan 0.000 0.455 596 L N 6.078 127.037 121.223 -0.440 0.000 2.483 596 L HA 0.160 4.505 4.340 0.009 0.000 0.276 596 L C 1.117 177.874 176.870 -0.189 0.000 1.213 596 L CA -0.046 54.639 54.840 -0.259 0.000 0.843 596 L CB 0.620 42.642 42.059 -0.061 0.000 1.107 596 L HN 0.901 nan 8.230 nan 0.000 0.487 597 S N 1.999 117.664 115.700 -0.058 0.000 2.634 597 S HA 0.129 4.605 4.470 0.009 0.000 0.261 597 S C 0.936 175.530 174.600 -0.010 0.000 1.271 597 S CA -0.430 57.755 58.200 -0.026 0.000 0.985 597 S CB 1.181 64.406 63.200 0.043 0.000 0.968 597 S HN 0.692 nan 8.310 nan 0.000 0.568 598 K N 0.657 121.055 120.400 -0.002 0.000 1.977 598 K HA -0.192 4.134 4.320 0.009 0.000 0.218 598 K C 1.555 178.165 176.600 0.018 0.000 1.051 598 K CA 2.439 58.739 56.287 0.021 0.000 0.953 598 K CB -0.826 31.691 32.500 0.028 0.000 0.727 598 K HN 0.750 nan 8.250 nan 0.000 0.445 599 D N 0.707 121.117 120.400 0.016 0.000 2.154 599 D HA -0.208 4.437 4.640 0.009 0.000 0.190 599 D C 1.078 177.387 176.300 0.014 0.000 1.003 599 D CA 1.860 55.868 54.000 0.014 0.000 0.849 599 D CB -0.291 40.518 40.800 0.015 0.000 0.942 599 D HN 0.467 nan 8.370 nan 0.000 0.446 600 E N -0.137 120.078 120.200 0.025 0.000 2.505 600 E HA 0.194 4.549 4.350 0.009 0.000 0.197 600 E C 1.060 177.668 176.600 0.014 0.000 1.111 600 E CA 0.333 56.750 56.400 0.029 0.000 0.887 600 E CB -0.261 29.479 29.700 0.066 0.000 0.913 600 E HN 0.378 nan 8.360 nan 0.000 0.517 601 G N 0.906 109.709 108.800 0.005 0.000 2.198 601 G HA2 -0.275 3.690 3.960 0.009 0.000 0.260 601 G HA3 -0.275 3.690 3.960 0.009 0.000 0.260 601 G C 0.460 175.356 174.900 -0.006 0.000 1.025 601 G CA -0.049 45.048 45.100 -0.006 0.000 0.769 601 G HN 0.516 nan 8.290 nan 0.000 0.507 602 G N -0.972 107.826 108.800 -0.003 0.000 2.641 602 G HA2 0.621 4.587 3.960 0.009 0.000 0.239 602 G HA3 0.621 4.587 3.960 0.009 0.000 0.239 602 G C 0.412 175.320 174.900 0.013 0.000 1.402 602 G CA -0.839 44.255 45.100 -0.011 0.000 1.046 602 G HN 0.539 nan 8.290 nan 0.000 0.565 603 R N -0.063 120.448 120.500 0.018 0.000 2.679 603 R HA 0.109 4.455 4.340 0.009 0.000 0.268 603 R C 0.752 177.114 176.300 0.104 0.000 1.044 603 R CA -0.028 56.115 56.100 0.072 0.000 1.105 603 R CB 0.300 30.632 30.300 0.054 0.000 0.989 603 R HN 0.774 nan 8.270 nan 0.000 0.447 604 H N -0.651 118.396 119.070 -0.038 0.000 2.594 604 H HA 0.212 4.773 4.556 0.009 0.000 0.279 604 H C -0.785 174.494 175.328 -0.081 0.000 1.042 604 H CA -0.382 55.633 56.048 -0.054 0.000 1.177 604 H CB 0.471 30.215 29.762 -0.030 0.000 1.524 604 H HN 0.294 nan 8.280 nan 0.000 0.537 605 T N 3.954 118.427 114.554 -0.135 0.000 2.928 605 T HA 0.331 4.687 4.350 0.009 0.000 0.296 605 T C -2.918 171.643 174.700 -0.232 0.000 1.000 605 T CA -1.240 60.703 62.100 -0.262 0.000 0.989 605 T CB 3.024 71.778 68.868 -0.190 0.000 1.005 605 T HN 0.034 nan 8.240 nan 0.000 0.442 606 P HA 0.354 nan 4.420 nan 0.000 0.272 606 P C -0.834 176.025 177.300 -0.736 0.000 1.248 606 P CA -0.285 62.438 63.100 -0.628 0.000 0.799 606 P CB 0.383 31.612 31.700 -0.786 0.000 0.997 607 F N -2.880 116.367 119.950 -1.171 0.000 2.685 607 F HA 0.695 5.228 4.527 0.009 0.000 0.315 607 F C -0.853 173.902 175.800 -1.742 0.000 1.126 607 F CA -1.019 56.115 58.000 -1.442 0.000 0.950 607 F CB 0.351 38.818 39.000 -0.889 0.000 1.360 607 F HN 0.157 nan 8.300 nan 0.000 0.469 608 F N 0.017 119.333 119.950 -1.057 0.000 3.180 608 F HA 0.464 4.996 4.527 0.009 0.000 0.181 608 F C 1.848 177.776 175.800 0.213 0.000 1.611 608 F CA -0.445 57.304 58.000 -0.418 0.000 0.961 608 F CB -0.112 38.674 39.000 -0.357 0.000 1.911 608 F HN 0.546 nan 8.300 nan 0.000 0.253 609 K N 0.453 121.262 120.400 0.683 0.000 2.097 609 K HA 0.007 4.332 4.320 0.009 0.000 0.206 609 K C 0.946 177.896 176.600 0.583 0.000 1.049 609 K CA 1.523 58.129 56.287 0.531 0.000 0.933 609 K CB -0.603 32.134 32.500 0.396 0.000 0.717 609 K HN 0.642 nan 8.250 nan 0.000 0.442 610 G N 0.558 109.872 108.800 0.857 0.000 4.637 610 G HA2 0.066 4.031 3.960 0.009 0.000 0.308 610 G HA3 0.066 4.031 3.960 0.009 0.000 0.308 610 G C -1.313 173.959 174.900 0.619 0.000 1.377 610 G CA -0.515 44.870 45.100 0.476 0.000 1.176 610 G HN 0.200 nan 8.290 nan 0.000 0.601 611 Y N 1.130 121.760 120.300 0.550 0.000 2.402 611 Y HA 0.432 4.987 4.550 0.009 0.000 0.333 611 Y C 0.777 176.759 175.900 0.136 0.000 1.076 611 Y CA -0.802 57.454 58.100 0.261 0.000 1.299 611 Y CB 0.777 39.064 38.460 -0.288 0.000 1.197 611 Y HN 0.276 nan 8.280 nan 0.000 0.517 612 R N 7.923 128.247 120.500 -0.294 0.000 2.653 612 R HA 0.308 4.653 4.340 0.009 0.000 0.269 612 R C -2.865 173.276 176.300 -0.266 0.000 1.603 612 R CA -1.545 54.456 56.100 -0.165 0.000 1.671 612 R CB 0.568 30.840 30.300 -0.047 0.000 1.300 612 R HN 0.468 nan 8.270 nan 0.000 0.668 613 P HA 0.277 nan 4.420 nan 0.000 0.310 613 P C -0.995 176.193 177.300 -0.186 0.000 1.309 613 P CA -0.554 62.288 63.100 -0.430 0.000 0.769 613 P CB 1.185 32.434 31.700 -0.752 0.000 1.327 614 Q N -1.111 118.571 119.800 -0.197 0.000 2.215 614 Q HA 0.562 4.907 4.340 0.009 0.000 0.256 614 Q C -1.130 174.762 176.000 -0.181 0.000 0.972 614 Q CA -0.058 55.748 55.803 0.005 0.000 0.889 614 Q CB 1.053 29.851 28.738 0.100 0.000 1.281 614 Q HN 0.304 nan 8.270 nan 0.000 0.456 615 F N 1.259 121.329 119.950 0.201 0.000 2.513 615 F HA 0.249 4.781 4.527 0.009 0.000 0.358 615 F C -0.988 174.962 175.800 0.250 0.000 1.118 615 F CA -0.893 57.252 58.000 0.242 0.000 1.037 615 F CB 0.766 39.905 39.000 0.232 0.000 1.276 615 F HN 0.485 nan 8.300 nan 0.000 0.446 616 Y N 3.575 123.986 120.300 0.186 0.000 2.480 616 Y HA 0.301 4.857 4.550 0.009 0.000 0.341 616 Y C -0.904 175.020 175.900 0.041 0.000 1.031 616 Y CA -0.278 57.909 58.100 0.145 0.000 1.295 616 Y CB 0.197 38.705 38.460 0.080 0.000 1.162 616 Y HN 0.421 nan 8.280 nan 0.000 0.523 617 F N 7.498 127.403 119.950 -0.074 0.000 2.291 617 F HA 0.276 4.808 4.527 0.008 0.000 0.368 617 F C 0.784 176.523 175.800 -0.102 0.000 1.085 617 F CA -0.593 57.410 58.000 0.003 0.000 1.165 617 F CB 0.593 39.592 39.000 -0.001 0.000 1.429 617 F HN 0.693 nan 8.300 nan 0.000 0.503 618 R N -0.617 119.979 120.500 0.159 0.000 4.059 618 R HA -0.350 3.995 4.340 0.009 0.000 0.421 618 R C 0.558 176.921 176.300 0.105 0.000 1.034 618 R CA 2.172 58.367 56.100 0.159 0.000 1.621 618 R CB -1.864 28.511 30.300 0.124 0.000 2.247 618 R HN 0.579 nan 8.270 nan 0.000 0.540 619 T N -1.450 112.991 114.554 -0.188 0.000 3.419 619 T HA 0.115 4.471 4.350 0.009 0.000 0.291 619 T C -0.693 173.771 174.700 -0.393 0.000 0.865 619 T CA 0.842 62.845 62.100 -0.161 0.000 0.861 619 T CB 0.824 69.675 68.868 -0.030 0.000 1.229 619 T HN 0.529 nan 8.240 nan 0.000 0.727 620 T N 0.878 114.968 114.554 -0.772 0.000 3.047 620 T HA 0.443 4.798 4.350 0.009 0.000 0.340 620 T C -2.175 172.333 174.700 -0.320 0.000 1.421 620 T CA -0.495 61.343 62.100 -0.437 0.000 1.090 620 T CB 1.626 70.420 68.868 -0.124 0.000 1.292 620 T HN -0.076 nan 8.240 nan 0.000 0.480 621 D N 1.598 121.998 120.400 -0.000 0.000 2.382 621 D HA 0.442 5.088 4.640 0.009 0.000 0.245 621 D C -0.293 176.117 176.300 0.184 0.000 1.120 621 D CA 0.423 54.536 54.000 0.187 0.000 0.890 621 D CB 1.478 42.417 40.800 0.233 0.000 1.201 621 D HN 0.504 nan 8.370 nan 0.000 0.433 622 V N 1.506 121.578 119.914 0.262 0.000 2.655 622 V HA 0.321 4.446 4.120 0.009 0.000 0.301 622 V C -0.187 176.073 176.094 0.276 0.000 1.082 622 V CA -0.585 61.859 62.300 0.241 0.000 0.899 622 V CB 1.786 33.739 31.823 0.217 0.000 1.014 622 V HN 0.496 nan 8.190 nan 0.000 0.429 623 T N 4.994 119.648 114.554 0.166 0.000 2.903 623 T HA 0.651 5.007 4.350 0.009 0.000 0.314 623 T C 0.327 175.122 174.700 0.157 0.000 1.078 623 T CA 0.958 63.159 62.100 0.168 0.000 1.114 623 T CB 0.510 69.412 68.868 0.058 0.000 0.987 623 T HN 1.567 nan 8.240 nan 0.000 0.548 624 G N 1.167 110.136 108.800 0.282 0.000 2.682 624 G HA2 0.634 4.599 3.960 0.009 0.000 0.290 624 G HA3 0.634 4.599 3.960 0.009 0.000 0.290 624 G C -0.980 174.010 174.900 0.150 0.000 1.425 624 G CA -0.577 44.593 45.100 0.117 0.000 0.807 624 G HN 0.859 nan 8.290 nan 0.000 0.482 625 T N -1.679 112.878 114.554 0.005 0.000 2.861 625 T HA 0.658 5.013 4.350 0.009 0.000 0.287 625 T C -0.549 174.177 174.700 0.044 0.000 1.003 625 T CA -0.590 61.539 62.100 0.049 0.000 0.977 625 T CB 1.433 70.304 68.868 0.005 0.000 0.996 625 T HN 1.264 nan 8.240 nan 0.000 0.448 626 I N -0.458 120.207 120.570 0.158 0.000 2.646 626 I HA 0.763 4.938 4.170 0.009 0.000 0.299 626 I C -0.548 175.677 176.117 0.179 0.000 1.036 626 I CA -1.298 60.104 61.300 0.170 0.000 1.074 626 I CB 2.031 40.223 38.000 0.320 0.000 1.258 626 I HN 0.837 nan 8.210 nan 0.000 0.430 627 E N 5.763 126.041 120.200 0.129 0.000 2.182 627 E HA 0.459 4.814 4.350 0.009 0.000 0.258 627 E C -1.051 175.630 176.600 0.135 0.000 0.879 627 E CA -0.980 55.498 56.400 0.130 0.000 0.754 627 E CB 1.505 31.251 29.700 0.076 0.000 1.162 627 E HN 0.366 nan 8.360 nan 0.000 0.419 628 L N 3.422 124.742 121.223 0.161 0.000 2.472 628 L HA 0.165 4.510 4.340 0.009 0.000 0.273 628 L C -1.276 175.653 176.870 0.099 0.000 1.254 628 L CA -1.542 53.378 54.840 0.133 0.000 0.823 628 L CB -1.061 41.071 42.059 0.122 0.000 1.096 628 L HN 0.631 nan 8.230 nan 0.000 0.521 629 P HA 0.099 nan 4.420 nan 0.000 0.323 629 P C -0.416 176.919 177.300 0.059 0.000 1.309 629 P CA -0.595 62.544 63.100 0.065 0.000 0.739 629 P CB 0.504 32.238 31.700 0.057 0.000 1.454 630 E N -0.100 120.129 120.200 0.049 0.000 1.795 630 E HA 0.288 4.643 4.350 0.009 0.000 0.261 630 E C 0.966 177.592 176.600 0.043 0.000 1.238 630 E CA 0.659 57.087 56.400 0.046 0.000 1.001 630 E CB -0.799 28.924 29.700 0.037 0.000 1.065 630 E HN 0.760 nan 8.360 nan 0.000 0.418 631 G N 1.942 110.775 108.800 0.055 0.000 2.796 631 G HA2 -0.257 3.709 3.960 0.009 0.000 0.198 631 G HA3 -0.257 3.709 3.960 0.009 0.000 0.198 631 G C 0.230 175.174 174.900 0.074 0.000 1.062 631 G CA -0.141 44.993 45.100 0.057 0.000 0.752 631 G HN 0.474 nan 8.290 nan 0.000 0.487 632 V N 2.990 122.939 119.914 0.059 0.000 2.585 632 V HA 0.546 4.671 4.120 0.009 0.000 0.296 632 V C 1.141 177.290 176.094 0.093 0.000 1.035 632 V CA 1.529 63.868 62.300 0.066 0.000 1.084 632 V CB 1.300 33.133 31.823 0.017 0.000 0.953 632 V HN 0.756 nan 8.190 nan 0.000 0.483 633 E N 5.470 125.744 120.200 0.124 0.000 2.414 633 E HA 0.202 4.558 4.350 0.009 0.000 0.208 633 E C 0.710 177.383 176.600 0.122 0.000 0.820 633 E CA -0.349 56.135 56.400 0.139 0.000 1.143 633 E CB 0.533 30.326 29.700 0.155 0.000 1.150 633 E HN 0.644 nan 8.360 nan 0.000 0.540 634 M N 1.906 121.521 119.600 0.025 0.000 2.644 634 M HA 0.502 4.988 4.480 0.009 0.000 0.316 634 M C -1.665 174.360 176.300 -0.460 0.000 1.200 634 M CA -0.908 54.179 55.300 -0.355 0.000 0.944 634 M CB 2.404 34.771 32.600 -0.388 0.000 1.691 634 M HN -0.069 nan 8.290 nan 0.000 0.471 635 V N 3.795 123.136 119.914 -0.956 0.000 2.760 635 V HA 0.500 4.625 4.120 0.009 0.000 0.309 635 V C -0.672 174.890 176.094 -0.887 0.000 1.077 635 V CA -0.703 61.081 62.300 -0.860 0.000 0.910 635 V CB 2.183 33.231 31.823 -1.291 0.000 1.008 635 V HN 0.922 nan 8.190 nan 0.000 0.424 636 M N 4.703 124.013 119.600 -0.483 0.000 2.404 636 M HA 0.453 4.939 4.480 0.009 0.000 0.338 636 M C -2.666 173.449 176.300 -0.309 0.000 1.150 636 M CA -1.875 53.179 55.300 -0.409 0.000 1.016 636 M CB 2.216 34.642 32.600 -0.291 0.000 1.672 636 M HN 0.291 nan 8.290 nan 0.000 0.448 637 P HA 0.014 nan 4.420 nan 0.000 0.253 637 P C 0.530 177.735 177.300 -0.159 0.000 1.170 637 P CA 1.135 64.120 63.100 -0.193 0.000 0.806 637 P CB -0.049 31.573 31.700 -0.131 0.000 0.775 638 G N 1.970 110.641 108.800 -0.215 0.000 2.183 638 G HA2 -0.113 3.853 3.960 0.009 0.000 0.168 638 G HA3 -0.113 3.853 3.960 0.009 0.000 0.168 638 G C -0.380 174.515 174.900 -0.010 0.000 1.008 638 G CA -0.232 44.804 45.100 -0.106 0.000 0.677 638 G HN 0.602 nan 8.290 nan 0.000 0.498 639 D N 0.119 120.451 120.400 -0.114 0.000 2.392 639 D HA 0.532 5.177 4.640 0.009 0.000 0.246 639 D C -0.013 176.292 176.300 0.008 0.000 1.013 639 D CA -0.976 53.023 54.000 -0.001 0.000 0.993 639 D CB 0.595 41.381 40.800 -0.023 0.000 1.219 639 D HN 0.022 nan 8.370 nan 0.000 0.538 640 N N -0.344 118.419 118.700 0.105 0.000 2.413 640 N HA 0.498 5.243 4.740 0.009 0.000 0.266 640 N C -0.411 175.121 175.510 0.038 0.000 1.238 640 N CA -0.371 52.759 53.050 0.133 0.000 0.972 640 N CB 1.295 39.862 38.487 0.133 0.000 1.210 640 N HN 0.405 nan 8.380 nan 0.000 0.547 641 I N 0.355 120.965 120.570 0.067 0.000 2.714 641 I HA 0.076 4.252 4.170 0.009 0.000 0.290 641 I C -1.526 174.654 176.117 0.105 0.000 1.663 641 I CA -0.340 60.996 61.300 0.059 0.000 1.011 641 I CB 1.933 39.961 38.000 0.047 0.000 1.462 641 I HN 0.452 nan 8.210 nan 0.000 0.476 642 K N 7.744 128.204 120.400 0.100 0.000 2.339 642 K HA 0.721 5.046 4.320 0.009 0.000 0.264 642 K C -0.508 176.174 176.600 0.137 0.000 0.986 642 K CA -0.542 55.821 56.287 0.127 0.000 0.866 642 K CB 2.103 34.664 32.500 0.102 0.000 1.103 642 K HN 0.608 nan 8.250 nan 0.000 0.441 643 M N -0.291 119.418 119.600 0.181 0.000 2.618 643 M HA 0.467 4.953 4.480 0.009 0.000 0.281 643 M C -1.485 174.905 176.300 0.150 0.000 1.267 643 M CA -1.053 54.352 55.300 0.175 0.000 0.845 643 M CB 1.981 34.717 32.600 0.227 0.000 1.732 643 M HN 0.150 nan 8.290 nan 0.000 0.461 644 V N 2.679 122.638 119.914 0.075 0.000 2.294 644 V HA 0.377 4.503 4.120 0.009 0.000 0.272 644 V C -0.165 175.816 176.094 -0.188 0.000 1.027 644 V CA -0.707 61.569 62.300 -0.041 0.000 0.823 644 V CB 0.655 32.458 31.823 -0.033 0.000 1.030 644 V HN 0.659 nan 8.190 nan 0.000 0.457 645 V N 4.070 123.685 119.914 -0.498 0.000 2.498 645 V HA 0.453 4.579 4.120 0.009 0.000 0.279 645 V C 0.649 176.163 176.094 -0.967 0.000 1.048 645 V CA 0.063 61.874 62.300 -0.815 0.000 0.967 645 V CB 1.634 32.729 31.823 -1.214 0.000 0.988 645 V HN 0.936 nan 8.190 nan 0.000 0.473 646 T N 6.536 120.736 114.554 -0.590 0.000 2.892 646 T HA 0.613 4.969 4.350 0.009 0.000 0.311 646 T C -0.556 173.933 174.700 -0.352 0.000 1.033 646 T CA -0.544 61.305 62.100 -0.418 0.000 0.991 646 T CB 0.043 68.769 68.868 -0.237 0.000 0.981 646 T HN 0.379 nan 8.240 nan 0.000 0.457 647 L N 4.522 125.539 121.223 -0.343 0.000 2.479 647 L HA 0.558 4.904 4.340 0.009 0.000 0.249 647 L C 1.851 178.593 176.870 -0.214 0.000 1.178 647 L CA -0.958 53.724 54.840 -0.263 0.000 0.811 647 L CB 0.097 42.033 42.059 -0.206 0.000 1.187 647 L HN 0.525 nan 8.230 nan 0.000 0.480 648 I N -0.589 119.815 120.570 -0.276 0.000 2.162 648 I HA -0.055 4.121 4.170 0.009 0.000 0.238 648 I C 0.673 176.587 176.117 -0.338 0.000 1.076 648 I CA 1.186 62.268 61.300 -0.363 0.000 1.353 648 I CB -0.162 37.516 38.000 -0.537 0.000 1.063 648 I HN 0.659 nan 8.210 nan 0.000 0.408 649 H N -0.782 118.263 119.070 -0.040 0.000 2.670 649 H HA 0.657 5.218 4.556 0.009 0.000 0.361 649 H C -2.497 172.789 175.328 -0.071 0.000 1.169 649 H CA -3.166 52.852 56.048 -0.050 0.000 1.198 649 H CB -0.603 29.134 29.762 -0.042 0.000 1.700 649 H HN -0.068 nan 8.280 nan 0.000 0.542 650 P HA 0.059 nan 4.420 nan 0.000 0.269 650 P C -0.474 176.780 177.300 -0.076 0.000 1.217 650 P CA 0.100 63.179 63.100 -0.035 0.000 0.783 650 P CB 0.663 32.328 31.700 -0.058 0.000 0.898 651 I N 0.048 120.525 120.570 -0.154 0.000 2.752 651 I HA 0.353 4.528 4.170 0.009 0.000 0.295 651 I C -0.411 175.575 176.117 -0.219 0.000 1.219 651 I CA -1.040 60.117 61.300 -0.239 0.000 1.030 651 I CB 2.051 39.759 38.000 -0.486 0.000 1.259 651 I HN 0.316 nan 8.210 nan 0.000 0.423 652 A N 8.167 130.881 122.820 -0.177 0.000 2.404 652 A HA 0.686 5.011 4.320 0.009 0.000 0.273 652 A C -0.088 177.442 177.584 -0.089 0.000 1.144 652 A CA -0.031 51.937 52.037 -0.116 0.000 0.806 652 A CB 0.207 19.157 19.000 -0.084 0.000 1.080 652 A HN 0.744 nan 8.150 nan 0.000 0.509 653 M N 1.046 120.643 119.600 -0.005 0.000 2.773 653 M HA 0.825 5.310 4.480 0.009 0.000 0.270 653 M C -1.961 174.376 176.300 0.062 0.000 1.238 653 M CA -0.780 54.529 55.300 0.014 0.000 0.832 653 M CB 1.990 34.556 32.600 -0.057 0.000 1.672 653 M HN 0.482 nan 8.290 nan 0.000 0.480 654 D N 0.253 120.674 120.400 0.036 0.000 2.622 654 D HA 0.332 4.977 4.640 0.009 0.000 0.255 654 D C -1.930 174.381 176.300 0.018 0.000 1.246 654 D CA 0.066 54.079 54.000 0.023 0.000 0.795 654 D CB 1.887 42.707 40.800 0.033 0.000 1.369 654 D HN 0.769 nan 8.370 nan 0.000 0.425 655 D N 0.517 120.923 120.400 0.009 0.000 2.450 655 D HA 0.395 5.041 4.640 0.009 0.000 0.247 655 D C 1.132 177.452 176.300 0.032 0.000 1.162 655 D CA 0.604 54.616 54.000 0.019 0.000 0.879 655 D CB 0.749 41.560 40.800 0.018 0.000 1.163 655 D HN 0.735 nan 8.370 nan 0.000 0.472 656 G N 1.164 109.989 108.800 0.041 0.000 2.205 656 G HA2 -0.157 3.808 3.960 0.009 0.000 0.180 656 G HA3 -0.157 3.808 3.960 0.009 0.000 0.180 656 G C -0.284 174.644 174.900 0.047 0.000 1.004 656 G CA -0.132 44.992 45.100 0.040 0.000 0.670 656 G HN 0.631 nan 8.290 nan 0.000 0.496 657 L N 1.859 123.123 121.223 0.067 0.000 2.292 657 L HA 0.814 5.159 4.340 0.009 0.000 0.284 657 L C 0.586 177.524 176.870 0.113 0.000 1.065 657 L CA -0.776 54.124 54.840 0.100 0.000 0.806 657 L CB 0.722 42.869 42.059 0.146 0.000 1.175 657 L HN 0.194 nan 8.230 nan 0.000 0.431 658 R N 4.527 125.064 120.500 0.062 0.000 2.404 658 R HA 0.584 4.929 4.340 0.009 0.000 0.291 658 R C -1.300 174.981 176.300 -0.033 0.000 1.025 658 R CA -0.332 55.751 56.100 -0.029 0.000 0.991 658 R CB 1.021 31.283 30.300 -0.063 0.000 1.053 658 R HN 0.634 nan 8.270 nan 0.000 0.479 659 F N -0.361 119.456 119.950 -0.221 0.000 2.561 659 F HA 0.685 5.217 4.527 0.008 0.000 0.313 659 F C -0.794 174.921 175.800 -0.143 0.000 1.126 659 F CA -1.369 56.396 58.000 -0.393 0.000 0.918 659 F CB 1.228 39.659 39.000 -0.948 0.000 1.199 659 F HN 0.485 nan 8.300 nan 0.000 0.444 660 A N 4.621 127.467 122.820 0.043 0.000 2.354 660 A HA 0.666 4.991 4.320 0.009 0.000 0.269 660 A C -0.398 177.257 177.584 0.119 0.000 1.109 660 A CA -0.623 51.425 52.037 0.018 0.000 0.800 660 A CB 0.285 19.289 19.000 0.007 0.000 1.045 660 A HN 0.835 nan 8.150 nan 0.000 0.489 661 I N 2.015 122.601 120.570 0.026 0.000 2.315 661 I HA 0.387 4.562 4.170 0.009 0.000 0.291 661 I C 0.497 176.574 176.117 -0.066 0.000 1.006 661 I CA -0.100 61.172 61.300 -0.046 0.000 1.265 661 I CB 1.102 39.087 38.000 -0.025 0.000 1.387 661 I HN 0.721 nan 8.210 nan 0.000 0.475 662 R N 4.352 124.793 120.500 -0.099 0.000 2.854 662 R HA 0.532 4.878 4.340 0.009 0.000 0.271 662 R C -1.118 175.147 176.300 -0.058 0.000 0.996 662 R CA -0.626 55.450 56.100 -0.041 0.000 0.961 662 R CB 1.787 32.107 30.300 0.033 0.000 1.182 662 R HN 0.537 nan 8.270 nan 0.000 0.479 663 E N 1.026 121.212 120.200 -0.024 0.000 2.409 663 E HA 0.267 4.622 4.350 0.009 0.000 0.259 663 E C -0.667 175.931 176.600 -0.002 0.000 0.932 663 E CA -0.079 56.301 56.400 -0.033 0.000 0.809 663 E CB 1.183 30.865 29.700 -0.030 0.000 1.341 663 E HN 0.873 nan 8.360 nan 0.000 0.405 664 G N 2.868 111.687 108.800 0.032 0.000 2.421 664 G HA2 -0.232 3.734 3.960 0.009 0.000 0.300 664 G HA3 -0.232 3.734 3.960 0.009 0.000 0.300 664 G C 0.889 175.829 174.900 0.066 0.000 0.974 664 G CA 0.854 45.997 45.100 0.073 0.000 1.062 664 G HN 1.271 nan 8.290 nan 0.000 0.514 665 G N -1.273 107.560 108.800 0.055 0.000 2.376 665 G HA2 -0.109 3.857 3.960 0.009 0.000 0.208 665 G HA3 -0.109 3.857 3.960 0.009 0.000 0.208 665 G C 0.519 175.418 174.900 -0.001 0.000 1.032 665 G CA 0.627 45.749 45.100 0.036 0.000 0.641 665 G HN 1.306 nan 8.290 nan 0.000 0.503 666 R N 2.401 122.901 120.500 -0.000 0.000 2.368 666 R HA 0.616 4.961 4.340 0.009 0.000 0.302 666 R C 0.574 176.858 176.300 -0.027 0.000 1.002 666 R CA 0.439 56.528 56.100 -0.019 0.000 0.929 666 R CB 0.628 30.924 30.300 -0.006 0.000 1.073 666 R HN 0.378 nan 8.270 nan 0.000 0.464 667 T N 1.179 115.707 114.554 -0.045 0.000 2.832 667 T HA 0.341 4.696 4.350 0.009 0.000 0.296 667 T C 0.821 175.504 174.700 -0.029 0.000 0.968 667 T CA -0.352 61.720 62.100 -0.046 0.000 1.107 667 T CB 1.115 69.944 68.868 -0.065 0.000 0.916 667 T HN 0.508 nan 8.240 nan 0.000 0.517 668 V N -0.855 119.045 119.914 -0.024 0.000 3.337 668 V HA 0.736 4.862 4.120 0.009 0.000 0.307 668 V C 0.462 176.526 176.094 -0.049 0.000 1.505 668 V CA 0.237 62.523 62.300 -0.022 0.000 1.072 668 V CB -0.193 31.635 31.823 0.009 0.000 0.929 668 V HN 1.304 nan 8.190 nan 0.000 0.455 669 G N -0.824 107.949 108.800 -0.045 0.000 2.451 669 G HA2 0.854 4.820 3.960 0.009 0.000 0.292 669 G HA3 0.854 4.820 3.960 0.009 0.000 0.292 669 G C -1.358 173.510 174.900 -0.054 0.000 1.427 669 G CA 0.098 45.164 45.100 -0.057 0.000 0.792 669 G HN 1.249 nan 8.290 nan 0.000 0.498 670 A N -1.641 121.132 122.820 -0.078 0.000 2.602 670 A HA 1.110 5.436 4.320 0.009 0.000 0.290 670 A C -0.188 177.203 177.584 -0.322 0.000 1.114 670 A CA 0.123 52.041 52.037 -0.198 0.000 0.683 670 A CB 1.649 20.569 19.000 -0.134 0.000 1.281 670 A HN 2.562 nan 8.150 nan 0.000 0.416 671 G N -1.171 107.209 108.800 -0.700 0.000 2.519 671 G HA2 0.684 4.649 3.960 0.009 0.000 0.292 671 G HA3 0.684 4.649 3.960 0.009 0.000 0.292 671 G C -0.967 173.430 174.900 -0.838 0.000 1.507 671 G CA 0.263 44.948 45.100 -0.692 0.000 0.806 671 G HN 2.050 nan 8.290 nan 0.000 0.523 672 V N -1.499 118.270 119.914 -0.243 0.000 2.994 672 V HA 0.899 5.024 4.120 0.009 0.000 0.318 672 V C 0.411 176.625 176.094 0.202 0.000 1.085 672 V CA -0.851 61.435 62.300 -0.024 0.000 0.998 672 V CB 1.483 33.301 31.823 -0.008 0.000 1.063 672 V HN 1.626 nan 8.190 nan 0.000 0.447 673 V N 0.734 120.751 119.914 0.171 0.000 2.370 673 V HA 0.900 5.025 4.120 0.009 0.000 0.279 673 V C 0.651 176.798 176.094 0.088 0.000 1.029 673 V CA 0.515 62.882 62.300 0.111 0.000 0.870 673 V CB 0.120 31.896 31.823 -0.078 0.000 0.984 673 V HN 1.423 nan 8.190 nan 0.000 0.451 674 A N 4.215 127.109 122.820 0.124 0.000 1.941 674 A HA 0.474 4.800 4.320 0.009 0.000 0.214 674 A C 1.089 178.717 177.584 0.072 0.000 1.368 674 A CA 0.528 52.622 52.037 0.096 0.000 0.651 674 A CB -0.081 18.986 19.000 0.111 0.000 1.064 674 A HN 0.702 nan 8.150 nan 0.000 0.492 675 K N 0.471 120.927 120.400 0.093 0.000 2.413 675 K HA 0.464 4.789 4.320 0.009 0.000 0.257 675 K C -0.838 175.806 176.600 0.073 0.000 0.946 675 K CA -0.470 55.854 56.287 0.061 0.000 0.823 675 K CB 1.645 34.175 32.500 0.051 0.000 1.109 675 K HN 0.266 nan 8.250 nan 0.000 0.427 676 V N 4.691 124.605 119.914 0.001 0.000 2.266 676 V HA 0.223 4.348 4.120 0.009 0.000 0.240 676 V C 0.686 176.749 176.094 -0.053 0.000 1.225 676 V CA -0.571 61.697 62.300 -0.053 0.000 1.237 676 V CB -1.264 30.385 31.823 -0.290 0.000 1.343 676 V HN 0.593 nan 8.190 nan 0.000 0.496 677 L N 2.924 124.157 121.223 0.016 0.000 2.473 677 L HA 0.015 4.361 4.340 0.009 0.000 0.280 677 L C 1.868 178.731 176.870 -0.012 0.000 1.266 677 L CA 0.391 55.230 54.840 -0.000 0.000 0.824 677 L CB 0.129 42.187 42.059 -0.002 0.000 1.091 677 L HN 0.626 nan 8.230 nan 0.000 0.534 678 S N -0.206 115.494 115.700 -0.000 0.000 2.489 678 S HA 0.073 4.549 4.470 0.009 0.000 0.228 678 S C 0.766 175.388 174.600 0.037 0.000 0.995 678 S CA 0.632 58.843 58.200 0.018 0.000 0.934 678 S CB 0.094 63.304 63.200 0.016 0.000 0.771 678 S HN 0.975 nan 8.310 nan 0.000 0.522 679 G N 1.878 110.688 108.800 0.017 0.000 2.788 679 G HA2 0.059 4.025 3.960 0.009 0.000 0.249 679 G HA3 0.059 4.025 3.960 0.009 0.000 0.249 679 G C -0.037 174.866 174.900 0.005 0.000 1.008 679 G CA -0.269 44.839 45.100 0.014 0.000 1.220 679 G HN 0.662 nan 8.290 nan 0.000 0.506 701 S N -1.289 114.290 115.700 -0.202 0.000 2.701 701 S HA 0.782 5.258 4.470 0.009 0.000 0.267 701 S C -1.253 173.268 174.600 -0.131 0.000 1.034 701 S CA 0.218 58.229 58.200 -0.314 0.000 0.867 701 S CB 0.630 63.572 63.200 -0.430 0.000 1.123 701 S HN 2.060 nan 8.310 nan 0.000 0.470 702 R N 1.043 121.497 120.500 -0.076 0.000 2.795 702 R HA 0.788 5.133 4.340 0.009 0.000 0.268 702 R C 0.141 176.446 176.300 0.007 0.000 1.041 702 R CA 0.048 56.143 56.100 -0.007 0.000 0.927 702 R CB -0.333 29.995 30.300 0.046 0.000 1.235 702 R HN 0.803 nan 8.270 nan 0.000 0.463 703 N N 0.181 118.888 118.700 0.013 0.000 2.141 703 N HA -0.067 4.679 4.740 0.009 0.000 0.187 703 N C 0.420 175.951 175.510 0.035 0.000 1.066 703 N CA 1.818 54.879 53.050 0.017 0.000 0.931 703 N CB 0.064 38.558 38.487 0.010 0.000 1.086 703 N HN 0.656 nan 8.380 nan 0.000 0.471 704 S N 0.790 116.512 115.700 0.036 0.000 3.900 704 S HA 0.215 4.691 4.470 0.009 0.000 0.248 704 S C 0.501 175.146 174.600 0.075 0.000 1.310 704 S CA -0.280 57.947 58.200 0.046 0.000 0.915 704 S CB -0.025 63.196 63.200 0.035 0.000 1.588 704 S HN 0.441 nan 8.310 nan 0.000 0.472 705 L N 0.864 122.145 121.223 0.096 0.000 1.472 705 L HA 0.026 4.371 4.340 0.009 0.000 0.115 705 L C 1.698 178.653 176.870 0.142 0.000 1.417 705 L CA 0.694 55.627 54.840 0.155 0.000 1.136 705 L CB -0.911 41.263 42.059 0.192 0.000 2.347 705 L HN 0.494 nan 8.230 nan 0.000 0.464 706 S N 1.339 117.144 115.700 0.174 0.000 2.383 706 S HA -0.117 4.358 4.470 0.009 0.000 0.229 706 S C 1.744 176.397 174.600 0.088 0.000 1.030 706 S CA 1.594 59.910 58.200 0.193 0.000 1.002 706 S CB -0.321 62.996 63.200 0.195 0.000 0.829 706 S HN 0.559 nan 8.310 nan 0.000 0.467 707 A N 0.557 123.416 122.820 0.065 0.000 2.081 707 A HA 0.135 4.461 4.320 0.009 0.000 0.214 707 A C 2.046 179.644 177.584 0.023 0.000 1.158 707 A CA 0.500 52.558 52.037 0.035 0.000 0.724 707 A CB -0.355 18.663 19.000 0.029 0.000 0.826 707 A HN 0.465 nan 8.150 nan 0.000 0.463 708 Q N -0.580 119.242 119.800 0.036 0.000 2.245 708 Q HA 0.036 4.382 4.340 0.009 0.000 0.201 708 Q C 1.752 177.750 176.000 -0.003 0.000 0.955 708 Q CA 0.753 56.575 55.803 0.032 0.000 0.870 708 Q CB -0.059 28.722 28.738 0.072 0.000 0.945 708 Q HN 0.680 nan 8.270 nan 0.000 0.461 709 L N -0.147 121.055 121.223 -0.036 0.000 2.068 709 L HA -0.111 4.234 4.340 0.009 0.000 0.204 709 L C 2.694 179.514 176.870 -0.083 0.000 1.076 709 L CA 0.642 55.412 54.840 -0.118 0.000 0.753 709 L CB -0.420 41.519 42.059 -0.201 0.000 0.910 709 L HN 0.128 nan 8.230 nan 0.000 0.439 710 R N 0.546 121.021 120.500 -0.042 0.000 2.133 710 R HA -0.251 4.094 4.340 0.009 0.000 0.245 710 R C 2.320 178.605 176.300 -0.025 0.000 1.137 710 R CA 2.012 58.098 56.100 -0.022 0.000 0.947 710 R CB -0.456 29.842 30.300 -0.003 0.000 0.865 710 R HN 0.302 nan 8.270 nan 0.000 0.437 711 R N -0.274 120.213 120.500 -0.022 0.000 2.127 711 R HA -0.200 4.146 4.340 0.009 0.000 0.228 711 R C 2.175 178.453 176.300 -0.036 0.000 1.125 711 R CA 2.165 58.253 56.100 -0.019 0.000 0.904 711 R CB -0.652 29.641 30.300 -0.012 0.000 0.831 711 R HN 0.277 nan 8.270 nan 0.000 0.431 712 A N 0.732 123.524 122.820 -0.047 0.000 1.887 712 A HA -0.366 3.960 4.320 0.009 0.000 0.225 712 A C 2.441 179.961 177.584 -0.107 0.000 1.464 712 A CA 3.204 55.199 52.037 -0.070 0.000 0.717 712 A CB -1.654 17.296 19.000 -0.083 0.000 0.848 712 A HN 0.734 nan 8.150 nan 0.000 0.477 713 A N -0.701 122.038 122.820 -0.134 0.000 1.940 713 A HA -0.325 4.001 4.320 0.009 0.000 0.221 713 A C 1.892 179.321 177.584 -0.259 0.000 1.190 713 A CA 2.542 54.449 52.037 -0.216 0.000 0.647 713 A CB -0.997 17.906 19.000 -0.162 0.000 0.821 713 A HN 0.760 nan 8.150 nan 0.000 0.457 714 N N -1.493 117.159 118.700 -0.079 0.000 2.409 714 N HA 0.017 4.763 4.740 0.009 0.000 0.179 714 N C 0.784 176.301 175.510 0.012 0.000 1.032 714 N CA 0.691 53.769 53.050 0.046 0.000 0.898 714 N CB -0.142 38.399 38.487 0.090 0.000 0.971 714 N HN 0.404 nan 8.380 nan 0.000 0.441 715 T N 0.552 115.083 114.554 -0.038 0.000 2.908 715 T HA -0.073 4.283 4.350 0.009 0.000 0.325 715 T C 0.155 174.838 174.700 -0.028 0.000 1.092 715 T CA 0.082 62.166 62.100 -0.027 0.000 1.125 715 T CB 0.306 69.151 68.868 -0.039 0.000 1.016 715 T HN 0.131 nan 8.240 nan 0.000 0.550 716 R N 5.113 125.611 120.500 -0.004 0.000 2.247 716 R HA 0.303 4.648 4.340 0.009 0.000 0.329 716 R C 0.528 176.824 176.300 -0.006 0.000 1.014 716 R CA -0.823 55.279 56.100 0.004 0.000 0.907 716 R CB 0.107 30.422 30.300 0.026 0.000 1.146 716 R HN 0.654 nan 8.270 nan 0.000 0.499 717 I N 3.899 124.458 120.570 -0.017 0.000 2.948 717 I HA -0.068 4.107 4.170 0.009 0.000 0.303 717 I C -0.630 175.490 176.117 0.006 0.000 1.224 717 I CA 1.024 62.318 61.300 -0.010 0.000 1.442 717 I CB 0.132 38.125 38.000 -0.012 0.000 1.328 717 I HN 0.938 nan 8.210 nan 0.000 0.578 718 E N 7.006 127.210 120.200 0.007 0.000 2.366 718 E HA 0.762 5.117 4.350 0.009 0.000 0.278 718 E C -1.627 174.982 176.600 0.014 0.000 0.923 718 E CA -0.929 55.478 56.400 0.013 0.000 0.761 718 E CB 2.075 31.782 29.700 0.010 0.000 1.231 718 E HN 0.520 nan 8.360 nan 0.000 0.443 719 V N -1.623 118.304 119.914 0.022 0.000 3.204 719 V HA 0.388 4.513 4.120 0.009 0.000 0.298 719 V C -0.864 175.246 176.094 0.027 0.000 1.328 719 V CA -1.345 60.970 62.300 0.025 0.000 1.035 719 V CB 1.666 33.514 31.823 0.041 0.000 1.095 719 V HN 0.836 nan 8.190 nan 0.000 0.442 720 E N 2.173 122.387 120.200 0.024 0.000 2.129 720 E HA 0.589 4.944 4.350 0.009 0.000 0.283 720 E C 0.589 177.209 176.600 0.034 0.000 1.080 720 E CA 0.374 56.789 56.400 0.025 0.000 0.867 720 E CB 0.818 30.529 29.700 0.018 0.000 1.056 720 E HN 1.744 nan 8.360 nan 0.000 0.404 721 G N 3.719 112.540 108.800 0.036 0.000 2.464 721 G HA2 -0.257 3.708 3.960 0.009 0.000 0.216 721 G HA3 -0.257 3.708 3.960 0.009 0.000 0.216 721 G C -0.655 174.273 174.900 0.046 0.000 1.186 721 G CA -0.371 44.753 45.100 0.042 0.000 1.010 721 G HN 0.580 nan 8.290 nan 0.000 0.585 722 N N 1.378 120.102 118.700 0.041 0.000 2.527 722 N HA 0.394 5.139 4.740 0.009 0.000 0.236 722 N C 1.330 176.836 175.510 -0.006 0.000 0.999 722 N CA -0.171 52.890 53.050 0.019 0.000 0.935 722 N CB 1.296 39.781 38.487 -0.004 0.000 1.132 722 N HN 0.714 nan 8.380 nan 0.000 0.511 723 L N 5.503 126.731 121.223 0.009 0.000 1.994 723 L HA -0.011 4.334 4.340 0.009 0.000 0.208 723 L C 1.984 178.810 176.870 -0.074 0.000 1.071 723 L CA 2.195 57.049 54.840 0.023 0.000 0.745 723 L CB -1.018 41.071 42.059 0.051 0.000 0.892 723 L HN 0.555 nan 8.230 nan 0.000 0.431 724 A N -0.164 122.565 122.820 -0.151 0.000 1.859 724 A HA -0.262 4.063 4.320 0.009 0.000 0.217 724 A C 2.277 179.686 177.584 -0.291 0.000 1.198 724 A CA 2.240 54.114 52.037 -0.271 0.000 0.629 724 A CB -1.417 17.312 19.000 -0.451 0.000 0.830 724 A HN 0.550 nan 8.150 nan 0.000 0.446 725 L N 0.119 121.153 121.223 -0.315 0.000 2.189 725 L HA -0.141 4.204 4.340 0.009 0.000 0.214 725 L C 2.313 179.128 176.870 -0.091 0.000 1.097 725 L CA 2.562 57.277 54.840 -0.209 0.000 0.764 725 L CB -0.811 41.165 42.059 -0.138 0.000 0.900 725 L HN 0.321 nan 8.230 nan 0.000 0.436 726 S N -0.741 114.917 115.700 -0.070 0.000 2.388 726 S HA 0.069 4.544 4.470 0.009 0.000 0.223 726 S C 1.917 176.451 174.600 -0.109 0.000 1.034 726 S CA 0.941 59.143 58.200 0.003 0.000 0.963 726 S CB -0.170 63.104 63.200 0.123 0.000 0.827 726 S HN 0.463 nan 8.310 nan 0.000 0.481 727 I N 2.019 122.368 120.570 -0.367 0.000 2.423 727 I HA -0.241 3.934 4.170 0.009 0.000 0.254 727 I C 2.494 178.444 176.117 -0.279 0.000 1.151 727 I CA 0.947 61.854 61.300 -0.656 0.000 1.421 727 I CB -0.650 36.964 38.000 -0.643 0.000 1.079 727 I HN 0.254 nan 8.210 nan 0.000 0.431 728 A N 1.501 124.217 122.820 -0.173 0.000 1.823 728 A HA -0.206 4.119 4.320 0.009 0.000 0.214 728 A C 2.038 179.608 177.584 -0.023 0.000 1.225 728 A CA 1.840 53.829 52.037 -0.081 0.000 0.604 728 A CB -1.113 17.884 19.000 -0.004 0.000 0.878 728 A HN 0.413 nan 8.150 nan 0.000 0.450 729 N N 0.012 118.732 118.700 0.033 0.000 2.132 729 N HA -0.201 4.544 4.740 0.009 0.000 0.191 729 N C 0.821 176.343 175.510 0.020 0.000 1.015 729 N CA 1.418 54.482 53.050 0.023 0.000 0.864 729 N CB -0.278 38.242 38.487 0.054 0.000 1.006 729 N HN 0.430 nan 8.380 nan 0.000 0.430 730 D N 0.201 120.632 120.400 0.050 0.000 2.312 730 D HA -0.049 4.596 4.640 0.009 0.000 0.211 730 D C 1.666 178.031 176.300 0.110 0.000 0.964 730 D CA 0.329 54.392 54.000 0.105 0.000 0.877 730 D CB 0.035 40.970 40.800 0.224 0.000 0.924 730 D HN 0.148 nan 8.370 nan 0.000 0.515 731 L N 0.012 121.284 121.223 0.082 0.000 2.253 731 L HA 0.132 4.477 4.340 0.009 0.000 0.205 731 L C 1.895 178.867 176.870 0.169 0.000 1.078 731 L CA 0.882 55.816 54.840 0.157 0.000 0.805 731 L CB -0.377 41.737 42.059 0.093 0.000 0.963 731 L HN 0.002 nan 8.230 nan 0.000 0.459 732 L N -1.359 119.869 121.223 0.009 0.000 2.012 732 L HA -0.252 4.093 4.340 0.009 0.000 0.210 732 L C 2.414 179.297 176.870 0.022 0.000 1.073 732 L CA 0.992 55.794 54.840 -0.063 0.000 0.748 732 L CB -0.621 41.304 42.059 -0.223 0.000 0.891 732 L HN 0.263 nan 8.230 nan 0.000 0.431 733 L N 0.039 121.275 121.223 0.023 0.000 2.046 733 L HA -0.149 4.197 4.340 0.009 0.000 0.208 733 L C 2.784 179.689 176.870 0.057 0.000 1.077 733 L CA 1.972 56.829 54.840 0.029 0.000 0.747 733 L CB -1.274 40.800 42.059 0.025 0.000 0.896 733 L HN 0.173 nan 8.230 nan 0.000 0.432 734 A N -2.088 120.791 122.820 0.098 0.000 2.076 734 A HA -0.231 4.095 4.320 0.009 0.000 0.220 734 A C 1.739 179.277 177.584 -0.076 0.000 1.160 734 A CA 1.615 53.675 52.037 0.039 0.000 0.653 734 A CB -0.756 18.304 19.000 0.099 0.000 0.801 734 A HN 0.521 nan 8.150 nan 0.000 0.455 735 Y N -1.533 118.786 120.300 0.032 0.000 2.531 735 Y HA 0.390 4.945 4.550 0.009 0.000 0.249 735 Y C 1.514 177.415 175.900 0.001 0.000 1.168 735 Y CA 0.250 58.370 58.100 0.033 0.000 1.226 735 Y CB 0.538 39.027 38.460 0.048 0.000 1.177 735 Y HN 0.412 nan 8.280 nan 0.000 0.527 736 G N 0.714 109.567 108.800 0.089 0.000 2.171 736 G HA2 -0.204 3.761 3.960 0.009 0.000 0.238 736 G HA3 -0.204 3.761 3.960 0.009 0.000 0.238 736 G C -0.408 174.498 174.900 0.010 0.000 1.039 736 G CA -0.414 44.708 45.100 0.036 0.000 0.759 736 G HN 0.189 nan 8.290 nan 0.000 0.501 737 Q N 1.009 120.799 119.800 -0.016 0.000 2.394 737 Q HA 0.416 4.761 4.340 0.009 0.000 0.261 737 Q C 0.520 176.426 176.000 -0.158 0.000 1.023 737 Q CA 0.107 55.855 55.803 -0.092 0.000 0.720 737 Q CB 1.468 30.130 28.738 -0.126 0.000 1.241 737 Q HN 0.901 nan 8.270 nan 0.000 0.483 738 S N 3.240 118.857 115.700 -0.139 0.000 3.897 738 S HA -0.034 4.441 4.470 0.009 0.000 0.466 738 S C -1.801 172.648 174.600 -0.251 0.000 1.095 738 S CA -0.528 57.582 58.200 -0.151 0.000 1.179 738 S CB -0.759 62.368 63.200 -0.122 0.000 0.777 738 S HN 0.359 nan 8.310 nan 0.000 0.521 739 P HA 0.258 nan 4.420 nan 0.000 0.274 739 P C -0.067 177.085 177.300 -0.246 0.000 1.246 739 P CA -0.815 62.130 63.100 -0.259 0.000 0.795 739 P CB 0.395 32.033 31.700 -0.103 0.000 1.006 740 F N 0.982 120.837 119.950 -0.157 0.000 2.629 740 F HA -0.057 4.475 4.527 0.009 0.000 0.377 740 F C 2.208 177.957 175.800 -0.085 0.000 1.101 740 F CA 0.409 58.325 58.000 -0.141 0.000 1.301 740 F CB -0.106 38.815 39.000 -0.132 0.000 1.062 740 F HN 0.374 nan 8.300 nan 0.000 0.583 741 N N 0.517 119.292 118.700 0.126 0.000 2.368 741 N HA -0.010 4.735 4.740 0.009 0.000 0.178 741 N C -0.093 175.451 175.510 0.056 0.000 1.021 741 N CA 0.502 53.590 53.050 0.063 0.000 0.875 741 N CB 0.208 38.716 38.487 0.035 0.000 1.020 741 N HN 0.474 nan 8.380 nan 0.000 0.433 742 S N -0.566 115.163 115.700 0.048 0.000 2.595 742 S HA 0.284 4.760 4.470 0.009 0.000 0.281 742 S C 0.349 174.915 174.600 -0.057 0.000 1.117 742 S CA -0.889 57.315 58.200 0.007 0.000 0.873 742 S CB 2.649 65.848 63.200 -0.002 0.000 1.108 742 S HN 0.066 nan 8.310 nan 0.000 0.477 743 E N 1.095 121.253 120.200 -0.069 0.000 2.187 743 E HA -0.245 4.111 4.350 0.009 0.000 0.199 743 E C 2.218 178.576 176.600 -0.403 0.000 1.004 743 E CA 1.415 57.693 56.400 -0.204 0.000 0.813 743 E CB -0.506 29.183 29.700 -0.018 0.000 0.736 743 E HN 0.793 nan 8.360 nan 0.000 0.468 744 A N 1.554 124.247 122.820 -0.213 0.000 1.958 744 A HA -0.296 4.029 4.320 0.009 0.000 0.221 744 A C 2.070 179.553 177.584 -0.169 0.000 1.178 744 A CA 1.873 53.805 52.037 -0.175 0.000 0.642 744 A CB -0.430 18.526 19.000 -0.074 0.000 0.816 744 A HN 0.265 nan 8.150 nan 0.000 0.453 745 E N -0.858 119.269 120.200 -0.122 0.000 2.086 745 E HA -0.111 4.244 4.350 0.009 0.000 0.190 745 E C 1.904 178.464 176.600 -0.068 0.000 0.975 745 E CA 0.920 57.323 56.400 0.004 0.000 0.813 745 E CB -0.166 29.635 29.700 0.168 0.000 0.768 745 E HN 0.662 nan 8.360 nan 0.000 0.457 746 C N 0.996 120.016 119.300 -0.468 0.000 2.403 746 C HA -0.182 4.284 4.460 0.009 0.000 0.282 746 C C 2.273 177.100 174.990 -0.272 0.000 1.200 746 C CA 1.129 59.653 59.018 -0.824 0.000 1.846 746 C CB -1.347 25.945 27.740 -0.747 0.000 2.115 746 C HN 0.567 nan 8.230 nan 0.000 0.497 747 I N -1.911 118.550 120.570 -0.182 0.000 4.338 747 I HA 0.213 4.388 4.170 0.009 0.000 0.329 747 I C 0.842 176.963 176.117 0.007 0.000 1.378 747 I CA 0.336 61.598 61.300 -0.063 0.000 1.170 747 I CB -0.188 37.739 38.000 -0.122 0.000 1.206 747 I HN 0.159 nan 8.210 nan 0.000 0.432 748 S N 0.350 116.078 115.700 0.046 0.000 2.711 748 S HA 0.397 4.873 4.470 0.009 0.000 0.247 748 S C -0.433 174.263 174.600 0.160 0.000 1.079 748 S CA -0.508 57.735 58.200 0.073 0.000 1.050 748 S CB -0.532 62.689 63.200 0.035 0.000 0.885 748 S HN 0.416 nan 8.310 nan 0.000 0.498 749 F N 2.736 122.716 119.950 0.051 0.000 2.458 749 F HA 0.682 5.215 4.527 0.009 0.000 0.336 749 F C -0.739 175.081 175.800 0.035 0.000 1.114 749 F CA -0.438 57.594 58.000 0.054 0.000 0.987 749 F CB 1.608 40.669 39.000 0.101 0.000 1.130 749 F HN 0.113 nan 8.300 nan 0.000 0.458 750 S N 6.820 121.999 115.700 -0.869 0.000 2.596 750 S HA 0.491 4.966 4.470 0.009 0.000 0.318 750 S C -2.709 171.370 174.600 -0.869 0.000 1.097 750 S CA -1.336 56.504 58.200 -0.599 0.000 1.080 750 S CB 1.137 64.204 63.200 -0.222 0.000 0.991 750 S HN 0.427 nan 8.310 nan 0.000 0.471 751 P HA 0.147 nan 4.420 nan 0.000 0.270 751 P C -0.197 176.887 177.300 -0.359 0.000 1.221 751 P CA -0.332 62.416 63.100 -0.587 0.000 0.788 751 P CB 0.512 31.861 31.700 -0.585 0.000 0.904 752 R N 0.751 121.115 120.500 -0.226 0.000 2.474 752 R HA 0.380 4.725 4.340 0.009 0.000 0.295 752 R C -0.296 176.049 176.300 0.075 0.000 0.980 752 R CA -0.442 55.657 56.100 -0.002 0.000 0.934 752 R CB 0.270 30.604 30.300 0.058 0.000 1.101 752 R HN 0.368 nan 8.270 nan 0.000 0.469 753 F N 2.436 122.538 119.950 0.253 0.000 2.837 753 F HA 0.136 4.669 4.527 0.009 0.000 0.298 753 F C 0.146 176.096 175.800 0.250 0.000 1.161 753 F CA -0.228 57.945 58.000 0.289 0.000 1.353 753 F CB 0.218 39.301 39.000 0.138 0.000 0.951 753 F HN 0.660 nan 8.300 nan 0.000 0.508 754 D N -1.423 119.187 120.400 0.351 0.000 3.300 754 D HA 0.490 5.136 4.640 0.009 0.000 0.214 754 D C 1.126 177.549 176.300 0.205 0.000 1.227 754 D CA -0.012 54.148 54.000 0.267 0.000 1.341 754 D CB -0.802 40.104 40.800 0.177 0.000 0.921 754 D HN 0.080 nan 8.370 nan 0.000 0.175 755 G N -0.065 108.811 108.800 0.126 0.000 3.106 755 G HA2 -0.058 3.907 3.960 0.009 0.000 0.687 755 G HA3 -0.058 3.907 3.960 0.009 0.000 0.687 755 G C 0.447 175.360 174.900 0.021 0.000 1.527 755 G CA 0.433 45.572 45.100 0.065 0.000 1.058 755 G HN 0.965 nan 8.290 nan 0.000 0.561 756 T N 0.225 114.782 114.554 0.004 0.000 2.663 756 T HA 0.333 4.688 4.350 0.009 0.000 0.325 756 T C 0.021 174.643 174.700 -0.130 0.000 1.059 756 T CA 0.242 62.333 62.100 -0.015 0.000 1.039 756 T CB 0.885 69.755 68.868 0.003 0.000 0.996 756 T HN 0.472 nan 8.240 nan 0.000 0.539 757 P HA -0.099 nan 4.420 nan 0.000 0.214 757 P C 1.194 178.401 177.300 -0.155 0.000 1.163 757 P CA 1.840 64.778 63.100 -0.271 0.000 0.883 757 P CB -0.268 31.400 31.700 -0.053 0.000 0.788 758 D N -0.264 120.100 120.400 -0.060 0.000 2.149 758 D HA -0.207 4.439 4.640 0.009 0.000 0.194 758 D C 1.502 177.803 176.300 0.001 0.000 1.001 758 D CA 1.403 55.393 54.000 -0.017 0.000 0.849 758 D CB -0.556 40.255 40.800 0.018 0.000 0.939 758 D HN -0.060 nan 8.370 nan 0.000 0.449 759 D N -1.534 118.861 120.400 -0.008 0.000 2.351 759 D HA -0.106 4.539 4.640 0.009 0.000 0.216 759 D C 1.254 177.550 176.300 -0.006 0.000 0.968 759 D CA 0.384 54.388 54.000 0.007 0.000 0.899 759 D CB -0.086 40.721 40.800 0.013 0.000 0.907 759 D HN 0.350 nan 8.370 nan 0.000 0.514 760 F N 0.497 120.311 119.950 -0.227 0.000 2.289 760 F HA 0.134 4.667 4.527 0.009 0.000 0.280 760 F C 2.342 178.073 175.800 -0.115 0.000 1.045 760 F CA 0.261 58.102 58.000 -0.265 0.000 1.236 760 F CB -0.131 38.484 39.000 -0.640 0.000 1.116 760 F HN -0.344 nan 8.300 nan 0.000 0.550 761 R N 0.510 121.076 120.500 0.109 0.000 2.178 761 R HA -0.255 4.090 4.340 0.009 0.000 0.257 761 R C 2.076 178.464 176.300 0.147 0.000 1.163 761 R CA 2.150 58.343 56.100 0.154 0.000 0.981 761 R CB -0.680 29.638 30.300 0.030 0.000 0.878 761 R HN 0.411 nan 8.270 nan 0.000 0.454 762 I N 1.310 121.895 120.570 0.025 0.000 2.110 762 I HA -0.227 3.949 4.170 0.009 0.000 0.236 762 I C 1.826 177.849 176.117 -0.156 0.000 1.068 762 I CA 1.557 62.830 61.300 -0.045 0.000 1.333 762 I CB -1.263 36.640 38.000 -0.162 0.000 1.054 762 I HN 0.214 nan 8.210 nan 0.000 0.402 763 N N -0.461 118.121 118.700 -0.198 0.000 2.258 763 N HA -0.287 4.459 4.740 0.009 0.000 0.187 763 N C 1.870 177.251 175.510 -0.215 0.000 1.012 763 N CA 1.371 54.311 53.050 -0.183 0.000 0.870 763 N CB -0.281 38.101 38.487 -0.175 0.000 0.977 763 N HN 0.388 nan 8.380 nan 0.000 0.434 764 Y N 0.482 120.398 120.300 -0.641 0.000 2.130 764 Y HA -0.034 4.521 4.550 0.009 0.000 0.287 764 Y C 2.047 177.776 175.900 -0.285 0.000 1.124 764 Y CA 1.027 58.756 58.100 -0.619 0.000 1.118 764 Y CB -1.024 36.983 38.460 -0.755 0.000 0.994 764 Y HN 0.116 nan 8.280 nan 0.000 0.497 765 L N 1.500 122.577 121.223 -0.244 0.000 2.137 765 L HA -0.252 4.094 4.340 0.009 0.000 0.213 765 L C 2.322 178.915 176.870 -0.462 0.000 1.085 765 L CA 2.561 57.137 54.840 -0.440 0.000 0.760 765 L CB -0.954 40.808 42.059 -0.496 0.000 0.893 765 L HN 0.368 nan 8.230 nan 0.000 0.434 766 K N -0.568 119.641 120.400 -0.318 0.000 2.057 766 K HA -0.089 4.236 4.320 0.009 0.000 0.206 766 K C 1.999 178.609 176.600 0.018 0.000 1.050 766 K CA 1.356 57.486 56.287 -0.262 0.000 0.935 766 K CB -0.357 31.872 32.500 -0.453 0.000 0.715 766 K HN 0.370 nan 8.250 nan 0.000 0.439 767 A N 1.036 123.972 122.820 0.193 0.000 1.933 767 A HA -0.129 4.197 4.320 0.009 0.000 0.218 767 A C 1.816 179.435 177.584 0.059 0.000 1.175 767 A CA 1.429 53.686 52.037 0.365 0.000 0.628 767 A CB -0.326 18.705 19.000 0.051 0.000 0.814 767 A HN 0.380 nan 8.150 nan 0.000 0.444 768 E N -0.749 119.318 120.200 -0.222 0.000 2.033 768 E HA 0.023 4.379 4.350 0.009 0.000 0.197 768 E C 1.869 178.357 176.600 -0.187 0.000 0.955 768 E CA 0.397 56.666 56.400 -0.217 0.000 0.855 768 E CB -0.897 28.477 29.700 -0.543 0.000 0.841 768 E HN 0.433 nan 8.360 nan 0.000 0.476 769 I N 0.250 120.494 120.570 -0.543 0.000 4.129 769 I HA -0.488 3.688 4.170 0.009 0.000 0.128 769 I C 1.990 177.967 176.117 -0.234 0.000 0.663 769 I CA 2.138 63.087 61.300 -0.584 0.000 0.914 769 I CB -0.117 37.484 38.000 -0.665 0.000 0.774 769 I HN 0.196 nan 8.210 nan 0.000 0.237 770 M N 0.311 119.822 119.600 -0.148 0.000 2.287 770 M HA -0.075 4.411 4.480 0.009 0.000 0.266 770 M C 2.402 178.775 176.300 0.121 0.000 1.079 770 M CA 1.850 57.104 55.300 -0.077 0.000 1.146 770 M CB -1.316 31.151 32.600 -0.222 0.000 1.374 770 M HN 0.667 nan 8.290 nan 0.000 0.435 771 S N 1.864 117.628 115.700 0.107 0.000 2.545 771 S HA -0.287 4.189 4.470 0.009 0.000 0.311 771 S C 1.285 175.985 174.600 0.168 0.000 1.239 771 S CA 1.995 60.277 58.200 0.136 0.000 1.200 771 S CB -1.150 62.139 63.200 0.147 0.000 1.217 771 S HN 0.624 nan 8.310 nan 0.000 0.441 772 K N 0.400 120.880 120.400 0.132 0.000 2.684 772 K HA 0.244 4.570 4.320 0.009 0.000 0.215 772 K C -0.553 176.096 176.600 0.081 0.000 1.073 772 K CA -0.302 56.018 56.287 0.055 0.000 1.197 772 K CB -0.032 32.412 32.500 -0.092 0.000 0.955 772 K HN 0.529 nan 8.250 nan 0.000 0.473 773 Y N 3.091 123.392 120.300 0.001 0.000 2.486 773 Y HA -0.005 4.550 4.550 0.009 0.000 0.348 773 Y C 0.602 176.390 175.900 -0.187 0.000 1.000 773 Y CA -1.262 56.707 58.100 -0.219 0.000 1.253 773 Y CB 0.387 38.497 38.460 -0.583 0.000 1.140 773 Y HN 0.244 nan 8.280 nan 0.000 0.526 774 D N 1.044 121.189 120.400 -0.425 0.000 2.348 774 D HA -0.146 4.499 4.640 0.009 0.000 0.216 774 D C 0.849 176.902 176.300 -0.412 0.000 0.970 774 D CA 1.119 54.950 54.000 -0.282 0.000 0.889 774 D CB 0.010 40.737 40.800 -0.121 0.000 0.912 774 D HN 0.621 nan 8.370 nan 0.000 0.524 775 D N -1.409 118.431 120.400 -0.934 0.000 2.398 775 D HA 0.072 4.717 4.640 0.009 0.000 0.210 775 D C -0.457 175.606 176.300 -0.395 0.000 1.094 775 D CA -0.506 53.070 54.000 -0.706 0.000 0.839 775 D CB -0.117 40.152 40.800 -0.885 0.000 0.963 775 D HN 0.075 nan 8.370 nan 0.000 0.506 776 F N 0.836 120.698 119.950 -0.146 0.000 2.590 776 F HA 0.007 4.540 4.527 0.009 0.000 0.389 776 F C 1.913 177.714 175.800 0.001 0.000 1.049 776 F CA -0.067 57.959 58.000 0.043 0.000 1.199 776 F CB 0.915 39.954 39.000 0.066 0.000 1.058 776 F HN -0.105 nan 8.300 nan 0.000 0.556 777 S N 3.087 118.907 115.700 0.199 0.000 2.355 777 S HA -0.089 4.386 4.470 0.009 0.000 0.210 777 S C 0.760 175.428 174.600 0.113 0.000 1.035 777 S CA 0.148 58.416 58.200 0.113 0.000 1.011 777 S CB -0.185 63.067 63.200 0.086 0.000 1.000 777 S HN 0.385 nan 8.310 nan 0.000 0.423 778 L N 1.961 123.248 121.223 0.105 0.000 3.677 778 L HA 0.018 4.363 4.340 0.009 0.000 0.321 778 L C 0.589 177.486 176.870 0.045 0.000 0.979 778 L CA 1.306 56.183 54.840 0.061 0.000 1.067 778 L CB -1.862 40.221 42.059 0.040 0.000 1.664 778 L HN 0.423 nan 8.230 nan 0.000 0.412 779 G N 3.359 112.182 108.800 0.039 0.000 1.895 779 G HA2 0.240 4.205 3.960 0.009 0.000 0.302 779 G HA3 0.240 4.205 3.960 0.009 0.000 0.302 779 G C 0.273 175.191 174.900 0.030 0.000 1.691 779 G CA -0.420 44.698 45.100 0.031 0.000 0.929 779 G HN 0.493 nan 8.290 nan 0.000 0.629 780 I N -1.071 119.514 120.570 0.024 0.000 3.441 780 I HA 0.120 4.295 4.170 0.009 0.000 0.316 780 I C -0.970 175.164 176.117 0.029 0.000 1.214 780 I CA 0.403 61.719 61.300 0.025 0.000 1.226 780 I CB -0.944 37.069 38.000 0.023 0.000 0.993 780 I HN 0.051 nan 8.210 nan 0.000 0.563 781 D N 1.826 122.244 120.400 0.030 0.000 2.210 781 D HA 0.498 5.144 4.640 0.009 0.000 0.249 781 D C 0.559 176.879 176.300 0.033 0.000 1.062 781 D CA -0.014 54.005 54.000 0.031 0.000 0.891 781 D CB 2.226 43.044 40.800 0.031 0.000 1.186 781 D HN 0.285 nan 8.370 nan 0.000 0.432 782 T N -0.951 113.623 114.554 0.034 0.000 2.565 782 T HA 0.298 4.654 4.350 0.009 0.000 0.253 782 T C -0.156 174.560 174.700 0.028 0.000 0.868 782 T CA -0.399 61.723 62.100 0.037 0.000 1.213 782 T CB 0.804 69.704 68.868 0.053 0.000 1.518 782 T HN 0.485 nan 8.240 nan 0.000 0.474 783 E N -0.065 120.162 120.200 0.044 0.000 2.572 783 E HA 0.367 4.723 4.350 0.009 0.000 0.220 783 E C 1.683 178.336 176.600 0.088 0.000 0.945 783 E CA 0.468 56.874 56.400 0.010 0.000 1.070 783 E CB 0.049 29.750 29.700 0.001 0.000 1.090 783 E HN 0.531 nan 8.360 nan 0.000 0.506 784 A N 1.770 124.688 122.820 0.164 0.000 1.978 784 A HA -0.103 4.222 4.320 0.009 0.000 0.220 784 A C 2.345 180.038 177.584 0.181 0.000 1.170 784 A CA 1.438 53.617 52.037 0.236 0.000 0.636 784 A CB -0.771 18.321 19.000 0.154 0.000 0.810 784 A HN 0.223 nan 8.150 nan 0.000 0.448 785 V N -0.168 119.806 119.914 0.099 0.000 2.343 785 V HA -0.188 3.938 4.120 0.009 0.000 0.247 785 V C 2.651 178.774 176.094 0.049 0.000 1.051 785 V CA 2.421 64.763 62.300 0.071 0.000 1.036 785 V CB -0.871 30.975 31.823 0.040 0.000 0.654 785 V HN 0.607 nan 8.190 nan 0.000 0.451 786 A N -0.899 121.902 122.820 -0.032 0.000 1.908 786 A HA -0.235 4.090 4.320 0.009 0.000 0.218 786 A C 1.856 179.331 177.584 -0.182 0.000 1.181 786 A CA 2.213 54.138 52.037 -0.186 0.000 0.627 786 A CB -0.984 17.775 19.000 -0.402 0.000 0.818 786 A HN 0.809 nan 8.150 nan 0.000 0.445 787 W N -0.383 120.957 121.300 0.066 0.000 2.481 787 W HA 0.065 4.730 4.660 0.009 0.000 0.293 787 W C 2.208 178.841 176.519 0.190 0.000 1.201 787 W CA 0.619 58.034 57.345 0.116 0.000 1.328 787 W CB -0.294 29.196 29.460 0.051 0.000 1.112 787 W HN 0.352 nan 8.180 nan 0.000 0.546 788 E N 0.882 121.282 120.200 0.333 0.000 2.169 788 E HA -0.288 4.067 4.350 0.009 0.000 0.202 788 E C 1.773 178.485 176.600 0.186 0.000 1.016 788 E CA 1.736 58.267 56.400 0.219 0.000 0.817 788 E CB -0.260 29.528 29.700 0.148 0.000 0.736 788 E HN 0.380 nan 8.360 nan 0.000 0.462 789 K N 0.071 120.573 120.400 0.171 0.000 2.007 789 K HA -0.095 4.230 4.320 0.009 0.000 0.206 789 K C 1.956 178.662 176.600 0.175 0.000 1.047 789 K CA 1.100 57.465 56.287 0.130 0.000 0.937 789 K CB -0.258 32.290 32.500 0.080 0.000 0.718 789 K HN 0.093 nan 8.250 nan 0.000 0.438 790 F N 1.139 121.127 119.950 0.062 0.000 2.546 790 F HA -0.070 4.462 4.527 0.009 0.000 0.298 790 F C 1.309 177.194 175.800 0.141 0.000 1.120 790 F CA 0.678 58.732 58.000 0.089 0.000 1.456 790 F CB 0.106 39.163 39.000 0.096 0.000 1.088 790 F HN -0.101 nan 8.300 nan 0.000 0.572 791 L N 0.216 121.588 121.223 0.248 0.000 2.341 791 L HA 0.238 4.583 4.340 0.009 0.000 0.214 791 L C 2.401 179.278 176.870 0.012 0.000 1.115 791 L CA 1.314 56.229 54.840 0.126 0.000 0.820 791 L CB -1.207 40.997 42.059 0.241 0.000 0.944 791 L HN 0.248 nan 8.230 nan 0.000 0.452 792 A N -1.322 121.511 122.820 0.021 0.000 2.147 792 A HA 0.240 4.565 4.320 0.009 0.000 0.211 792 A C 2.390 179.948 177.584 -0.043 0.000 1.160 792 A CA 0.830 52.867 52.037 -0.001 0.000 0.781 792 A CB -0.411 18.605 19.000 0.026 0.000 0.842 792 A HN 0.277 nan 8.150 nan 0.000 0.475 793 A N 0.170 122.935 122.820 -0.092 0.000 1.940 793 A HA -0.169 4.156 4.320 0.009 0.000 0.219 793 A C 1.956 179.445 177.584 -0.158 0.000 1.176 793 A CA 1.839 53.798 52.037 -0.129 0.000 0.631 793 A CB -0.262 18.617 19.000 -0.202 0.000 0.814 793 A HN 0.435 nan 8.150 nan 0.000 0.446 794 E N -0.421 119.652 120.200 -0.211 0.000 2.030 794 E HA 0.039 4.395 4.350 0.009 0.000 0.189 794 E C 2.473 179.038 176.600 -0.059 0.000 0.974 794 E CA 1.089 57.406 56.400 -0.138 0.000 0.807 794 E CB -1.036 28.578 29.700 -0.143 0.000 0.771 794 E HN 0.479 nan 8.360 nan 0.000 0.451 795 A N 2.045 124.840 122.820 -0.042 0.000 1.971 795 A HA -0.283 4.042 4.320 0.009 0.000 0.222 795 A C 2.104 179.679 177.584 -0.014 0.000 1.182 795 A CA 1.937 53.966 52.037 -0.013 0.000 0.649 795 A CB -0.417 18.583 19.000 0.001 0.000 0.818 795 A HN 0.160 nan 8.150 nan 0.000 0.458 796 E N -0.915 119.272 120.200 -0.021 0.000 2.005 796 E HA -0.150 4.205 4.350 0.009 0.000 0.191 796 E C 2.207 178.789 176.600 -0.029 0.000 0.987 796 E CA 1.026 57.414 56.400 -0.020 0.000 0.814 796 E CB -0.735 28.959 29.700 -0.010 0.000 0.772 796 E HN 0.560 nan 8.360 nan 0.000 0.453 797 C N 1.016 120.298 119.300 -0.031 0.000 2.382 797 C HA -0.306 4.160 4.460 0.009 0.000 0.274 797 C C 2.789 177.762 174.990 -0.027 0.000 1.180 797 C CA 1.449 60.450 59.018 -0.029 0.000 1.799 797 C CB -1.160 26.563 27.740 -0.027 0.000 2.094 797 C HN 0.558 nan 8.230 nan 0.000 0.468 798 A N -0.147 122.663 122.820 -0.016 0.000 1.842 798 A HA -0.147 4.178 4.320 0.009 0.000 0.217 798 A C 2.041 179.613 177.584 -0.021 0.000 1.206 798 A CA 1.870 53.904 52.037 -0.004 0.000 0.630 798 A CB -0.996 18.008 19.000 0.006 0.000 0.839 798 A HN 0.497 nan 8.150 nan 0.000 0.447 799 L N 0.417 121.625 121.223 -0.025 0.000 2.151 799 L HA -0.227 4.119 4.340 0.009 0.000 0.215 799 L C 2.858 179.682 176.870 -0.076 0.000 1.084 799 L CA 2.721 57.539 54.840 -0.037 0.000 0.764 799 L CB -1.837 40.203 42.059 -0.031 0.000 0.891 799 L HN 0.791 nan 8.230 nan 0.000 0.435 800 T N -4.453 110.039 114.554 -0.102 0.000 3.035 800 T HA -0.042 4.313 4.350 0.009 0.000 0.259 800 T C 1.664 176.238 174.700 -0.210 0.000 1.078 800 T CA 0.527 62.521 62.100 -0.177 0.000 1.132 800 T CB -0.107 68.644 68.868 -0.195 0.000 0.900 800 T HN 0.149 nan 8.240 nan 0.000 0.480 801 N N 1.780 120.397 118.700 -0.139 0.000 2.309 801 N HA 0.161 4.906 4.740 0.009 0.000 0.182 801 N C 1.980 177.414 175.510 -0.127 0.000 1.018 801 N CA 1.238 54.201 53.050 -0.145 0.000 0.876 801 N CB -0.404 38.083 38.487 -0.001 0.000 0.972 801 N HN 0.667 nan 8.380 nan 0.000 0.434 802 A N 0.956 123.739 122.820 -0.063 0.000 1.850 802 A HA 0.002 4.327 4.320 0.009 0.000 0.212 802 A C 2.188 179.741 177.584 -0.051 0.000 1.208 802 A CA 0.653 52.689 52.037 -0.001 0.000 0.609 802 A CB -0.496 18.508 19.000 0.006 0.000 0.860 802 A HN 0.104 nan 8.150 nan 0.000 0.448 803 R N -0.870 119.569 120.500 -0.101 0.000 2.159 803 R HA -0.214 4.131 4.340 0.009 0.000 0.252 803 R C 1.529 177.723 176.300 -0.178 0.000 1.144 803 R CA 1.940 57.963 56.100 -0.128 0.000 0.961 803 R CB -0.475 29.708 30.300 -0.196 0.000 0.877 803 R HN 0.385 nan 8.270 nan 0.000 0.444 804 L N -0.125 120.910 121.223 -0.314 0.000 2.551 804 L HA -0.052 4.293 4.340 0.009 0.000 0.228 804 L C -0.107 176.518 176.870 -0.409 0.000 1.153 804 L CA 1.079 55.668 54.840 -0.417 0.000 0.851 804 L CB -0.154 41.573 42.059 -0.554 0.000 0.959 804 L HN 0.121 nan 8.230 nan 0.000 0.451 805 Y N -0.201 120.066 120.300 -0.056 0.000 2.805 805 Y HA 0.466 5.021 4.550 0.009 0.000 0.339 805 Y C 0.829 176.709 175.900 -0.033 0.000 1.012 805 Y CA -1.004 57.071 58.100 -0.042 0.000 1.262 805 Y CB 0.230 38.667 38.460 -0.039 0.000 1.100 805 Y HN 0.171 nan 8.280 nan 0.000 0.559 806 R N -1.068 119.489 120.500 0.096 0.000 2.333 806 R HA 0.060 4.406 4.340 0.009 0.000 0.049 806 R C -2.906 173.393 176.300 -0.001 0.000 0.539 806 R CA -0.360 55.767 56.100 0.044 0.000 1.141 806 R CB -1.428 28.898 30.300 0.042 0.000 0.921 806 R HN 0.119 nan 8.270 nan 0.000 0.546 807 P HA 0.128 nan 4.420 nan 0.000 0.257 807 P C -1.229 175.909 177.300 -0.270 0.000 1.359 807 P CA 0.623 63.687 63.100 -0.060 0.000 1.239 807 P CB 0.260 31.987 31.700 0.044 0.000 1.549 808 D N 1.186 121.406 120.400 -0.300 0.000 2.346 808 D HA 0.032 4.678 4.640 0.009 0.000 0.255 808 D C 0.040 176.135 176.300 -0.341 0.000 1.276 808 D CA -1.113 52.615 54.000 -0.454 0.000 0.941 808 D CB -0.268 40.393 40.800 -0.231 0.000 1.199 808 D HN 0.196 nan 8.370 nan 0.000 0.537 809 Y N 0.486 120.766 120.300 -0.034 0.000 2.542 809 Y HA 0.203 4.758 4.550 0.009 0.000 0.349 809 Y C 1.341 177.226 175.900 -0.024 0.000 1.215 809 Y CA -0.628 57.453 58.100 -0.032 0.000 1.253 809 Y CB -0.879 37.547 38.460 -0.058 0.000 1.120 809 Y HN 0.339 nan 8.280 nan 0.000 0.487 810 S N -1.655 114.082 115.700 0.061 0.000 2.378 810 S HA -0.321 4.154 4.470 0.009 0.000 0.240 810 S C 0.825 175.464 174.600 0.065 0.000 1.229 810 S CA 1.954 60.185 58.200 0.051 0.000 1.607 810 S CB -0.911 62.324 63.200 0.058 0.000 2.074 810 S HN 0.917 nan 8.310 nan 0.000 0.620 811 E N -0.267 120.004 120.200 0.119 0.000 2.524 811 E HA 0.605 4.960 4.350 0.009 0.000 0.219 811 E C -0.457 176.173 176.600 0.049 0.000 0.776 811 E CA -0.695 55.745 56.400 0.065 0.000 0.944 811 E CB 0.383 30.156 29.700 0.122 0.000 1.719 811 E HN 0.016 nan 8.360 nan 0.000 0.384 812 D N -1.322 118.985 120.400 -0.155 0.000 2.479 812 D HA 0.173 4.818 4.640 0.009 0.000 0.221 812 D C 1.478 177.517 176.300 -0.435 0.000 1.104 812 D CA -0.004 53.861 54.000 -0.226 0.000 0.849 812 D CB 0.095 40.746 40.800 -0.249 0.000 1.072 812 D HN 0.191 nan 8.370 nan 0.000 0.502 813 F N 1.678 121.485 119.950 -0.238 0.000 2.043 813 F HA -0.112 4.420 4.527 0.009 0.000 0.297 813 F C 1.372 176.816 175.800 -0.595 0.000 1.121 813 F CA 0.732 58.570 58.000 -0.269 0.000 1.199 813 F CB -0.826 38.082 39.000 -0.153 0.000 0.968 813 F HN -0.172 nan 8.300 nan 0.000 0.478 814 N N 0.776 119.091 118.700 -0.642 0.000 2.414 814 N HA -0.015 4.730 4.740 0.009 0.000 0.268 814 N C -1.379 173.322 175.510 -1.348 0.000 1.286 814 N CA 0.641 53.130 53.050 -0.935 0.000 0.896 814 N CB -0.236 37.660 38.487 -0.985 0.000 1.093 814 N HN -0.022 nan 8.380 nan 0.000 0.480 815 F N 0.555 120.297 119.950 -0.346 0.000 2.539 815 F HA 0.198 4.731 4.527 0.009 0.000 0.328 815 F C 0.543 176.264 175.800 -0.131 0.000 1.148 815 F CA -0.938 56.950 58.000 -0.187 0.000 0.940 815 F CB 1.385 40.326 39.000 -0.100 0.000 1.194 815 F HN 0.206 nan 8.300 nan 0.000 0.438 816 S N 3.349 119.081 115.700 0.054 0.000 2.549 816 S HA 0.387 4.862 4.470 0.009 0.000 0.297 816 S C 0.494 175.033 174.600 -0.102 0.000 1.115 816 S CA -0.790 57.377 58.200 -0.055 0.000 1.059 816 S CB 1.731 64.855 63.200 -0.126 0.000 1.046 816 S HN 0.696 nan 8.310 nan 0.000 0.506 817 L N 3.815 124.958 121.223 -0.134 0.000 2.191 817 L HA 0.167 4.513 4.340 0.009 0.000 0.212 817 L C 2.049 178.809 176.870 -0.184 0.000 1.103 817 L CA 2.331 57.099 54.840 -0.120 0.000 0.769 817 L CB -1.368 40.633 42.059 -0.095 0.000 0.908 817 L HN 1.012 nan 8.230 nan 0.000 0.438 818 G N -1.047 107.488 108.800 -0.441 0.000 2.666 818 G HA2 -0.335 3.630 3.960 0.009 0.000 0.215 818 G HA3 -0.335 3.630 3.960 0.009 0.000 0.215 818 G C 1.359 176.085 174.900 -0.289 0.000 1.294 818 G CA 0.684 45.385 45.100 -0.665 0.000 0.811 818 G HN 0.470 nan 8.290 nan 0.000 0.594 819 E N 0.156 120.160 120.200 -0.326 0.000 2.172 819 E HA -0.272 4.084 4.350 0.009 0.000 0.213 819 E C 2.756 179.496 176.600 0.234 0.000 1.051 819 E CA 1.872 58.326 56.400 0.090 0.000 0.860 819 E CB -0.173 29.646 29.700 0.198 0.000 0.755 819 E HN 0.462 nan 8.360 nan 0.000 0.462 820 S N -0.274 115.513 115.700 0.145 0.000 2.348 820 S HA -0.193 4.282 4.470 0.009 0.000 0.221 820 S C 2.244 176.922 174.600 0.131 0.000 1.033 820 S CA 1.199 59.490 58.200 0.152 0.000 1.010 820 S CB -0.578 62.646 63.200 0.041 0.000 0.891 820 S HN 0.428 nan 8.310 nan 0.000 0.442 821 C N 1.857 121.197 119.300 0.066 0.000 2.446 821 C HA 0.081 4.547 4.460 0.009 0.000 0.277 821 C C 2.686 177.728 174.990 0.086 0.000 1.275 821 C CA 0.502 59.558 59.018 0.062 0.000 1.727 821 C CB -1.371 26.396 27.740 0.045 0.000 2.010 821 C HN 0.752 nan 8.230 nan 0.000 0.486 822 I N -0.551 120.068 120.570 0.082 0.000 2.454 822 I HA -0.222 3.953 4.170 0.009 0.000 0.254 822 I C 2.230 178.338 176.117 -0.015 0.000 1.156 822 I CA 1.904 63.226 61.300 0.037 0.000 1.433 822 I CB -0.600 37.408 38.000 0.014 0.000 1.082 822 I HN 0.437 nan 8.210 nan 0.000 0.432 823 H N 0.328 119.430 119.070 0.054 0.000 2.363 823 H HA 0.006 4.567 4.556 0.009 0.000 0.301 823 H C 2.246 177.589 175.328 0.026 0.000 1.074 823 H CA 2.231 58.303 56.048 0.039 0.000 1.354 823 H CB -0.012 29.771 29.762 0.036 0.000 1.397 823 H HN 0.306 nan 8.280 nan 0.000 0.516 824 M N -0.343 119.341 119.600 0.139 0.000 2.123 824 M HA -0.093 4.392 4.480 0.009 0.000 0.263 824 M C 2.659 178.995 176.300 0.060 0.000 1.069 824 M CA 1.177 56.519 55.300 0.068 0.000 1.133 824 M CB -0.024 32.591 32.600 0.025 0.000 1.356 824 M HN 0.365 nan 8.290 nan 0.000 0.415 825 A N 0.638 123.500 122.820 0.070 0.000 1.882 825 A HA -0.314 4.011 4.320 0.009 0.000 0.220 825 A C 2.158 179.796 177.584 0.090 0.000 1.253 825 A CA 2.533 54.625 52.037 0.092 0.000 0.664 825 A CB -1.107 17.954 19.000 0.100 0.000 0.838 825 A HN 0.515 nan 8.150 nan 0.000 0.460 826 R N -0.713 119.824 120.500 0.061 0.000 2.117 826 R HA -0.187 4.158 4.340 0.009 0.000 0.243 826 R C 2.463 178.798 176.300 0.058 0.000 1.143 826 R CA 1.944 58.071 56.100 0.045 0.000 0.968 826 R CB -0.268 30.047 30.300 0.024 0.000 0.863 826 R HN 0.627 nan 8.270 nan 0.000 0.444 827 R N 0.267 120.808 120.500 0.069 0.000 2.052 827 R HA -0.054 4.291 4.340 0.009 0.000 0.226 827 R C 2.259 178.602 176.300 0.072 0.000 1.145 827 R CA 1.339 57.477 56.100 0.062 0.000 0.952 827 R CB -0.004 30.328 30.300 0.053 0.000 0.847 827 R HN 0.074 nan 8.270 nan 0.000 0.431 828 K N 0.669 121.114 120.400 0.075 0.000 2.032 828 K HA -0.239 4.086 4.320 0.009 0.000 0.218 828 K C 2.171 178.927 176.600 0.259 0.000 1.054 828 K CA 1.861 58.214 56.287 0.110 0.000 0.941 828 K CB -0.699 31.810 32.500 0.015 0.000 0.720 828 K HN 0.281 nan 8.250 nan 0.000 0.449 829 I N 1.271 121.990 120.570 0.249 0.000 2.087 829 I HA -0.360 3.815 4.170 0.009 0.000 0.240 829 I C 2.651 178.782 176.117 0.023 0.000 1.054 829 I CA 1.703 63.100 61.300 0.163 0.000 1.311 829 I CB -0.454 37.571 38.000 0.041 0.000 1.024 829 I HN 0.216 nan 8.210 nan 0.000 0.402 830 A N 0.087 122.917 122.820 0.016 0.000 1.902 830 A HA -0.273 4.052 4.320 0.009 0.000 0.217 830 A C 2.382 179.977 177.584 0.018 0.000 1.181 830 A CA 1.867 53.897 52.037 -0.011 0.000 0.623 830 A CB -0.620 18.395 19.000 0.026 0.000 0.818 830 A HN 0.353 nan 8.150 nan 0.000 0.443 831 K N -0.462 119.976 120.400 0.063 0.000 2.059 831 K HA -0.185 4.140 4.320 0.009 0.000 0.212 831 K C 1.963 178.605 176.600 0.072 0.000 1.050 831 K CA 1.797 58.129 56.287 0.075 0.000 0.927 831 K CB -0.334 32.222 32.500 0.092 0.000 0.714 831 K HN 0.534 nan 8.250 nan 0.000 0.447 832 L N 0.674 121.949 121.223 0.087 0.000 2.023 832 L HA -0.138 4.207 4.340 0.009 0.000 0.205 832 L C 2.416 179.225 176.870 -0.101 0.000 1.073 832 L CA 1.008 55.860 54.840 0.020 0.000 0.745 832 L CB -0.194 41.838 42.059 -0.045 0.000 0.900 832 L HN 0.254 nan 8.230 nan 0.000 0.435 833 I N -0.484 119.963 120.570 -0.204 0.000 2.090 833 I HA -0.091 4.085 4.170 0.009 0.000 0.236 833 I C 1.103 177.176 176.117 -0.072 0.000 1.064 833 I CA 1.195 62.279 61.300 -0.360 0.000 1.324 833 I CB -0.448 37.113 38.000 -0.732 0.000 1.044 833 I HN 0.479 nan 8.210 nan 0.000 0.399 834 G N -0.000 108.834 108.800 0.058 0.000 2.355 834 G HA2 -0.119 3.847 3.960 0.009 0.000 0.619 834 G HA3 -0.119 3.847 3.960 0.009 0.000 0.619 834 G C -0.656 174.474 174.900 0.384 0.000 1.337 834 G CA -0.222 45.041 45.100 0.271 0.000 0.993 834 G HN 0.087 nan 8.290 nan 0.000 0.599 835 D N -1.264 119.329 120.400 0.322 0.000 2.289 835 D HA 0.308 4.953 4.640 0.009 0.000 0.207 835 D C 0.929 177.425 176.300 0.327 0.000 0.966 835 D CA 1.514 55.681 54.000 0.279 0.000 0.868 835 D CB 1.194 42.083 40.800 0.149 0.000 0.943 835 D HN 0.796 nan 8.370 nan 0.000 0.514 836 V N 0.543 120.584 119.914 0.212 0.000 3.036 836 V HA 0.171 4.297 4.120 0.009 0.000 0.280 836 V C -2.661 173.123 176.094 -0.516 0.000 1.497 836 V CA -1.727 60.334 62.300 -0.397 0.000 0.982 836 V CB 2.585 34.283 31.823 -0.209 0.000 1.171 836 V HN -0.201 nan 8.190 nan 0.000 0.444 837 P HA 0.077 nan 4.420 nan 0.000 0.256 837 P C 0.354 177.486 177.300 -0.280 0.000 1.189 837 P CA 0.590 63.197 63.100 -0.820 0.000 0.808 837 P CB 0.163 31.280 31.700 -0.971 0.000 0.793 838 S N 2.630 118.280 115.700 -0.083 0.000 2.622 838 S HA -0.026 4.449 4.470 0.009 0.000 0.251 838 S C 1.374 175.968 174.600 -0.011 0.000 1.402 838 S CA -0.007 58.183 58.200 -0.016 0.000 0.972 838 S CB -0.162 63.060 63.200 0.037 0.000 0.913 838 S HN 0.253 nan 8.310 nan 0.000 0.573 839 V N 0.947 120.876 119.914 0.025 0.000 3.085 839 V HA 0.022 4.148 4.120 0.009 0.000 0.245 839 V C 2.416 178.555 176.094 0.075 0.000 1.114 839 V CA 0.901 63.235 62.300 0.057 0.000 1.108 839 V CB -1.386 30.475 31.823 0.064 0.000 0.798 839 V HN 0.981 nan 8.190 nan 0.000 0.471 840 E N 2.550 122.788 120.200 0.065 0.000 2.147 840 E HA -0.195 4.160 4.350 0.009 0.000 0.199 840 E C 1.996 178.647 176.600 0.086 0.000 1.005 840 E CA 1.871 58.312 56.400 0.069 0.000 0.810 840 E CB -0.532 29.203 29.700 0.059 0.000 0.736 840 E HN 0.552 nan 8.360 nan 0.000 0.460 841 G N -0.256 108.604 108.800 0.099 0.000 3.126 841 G HA2 0.054 4.019 3.960 0.009 0.000 0.224 841 G HA3 0.054 4.019 3.960 0.009 0.000 0.224 841 G C 1.268 176.265 174.900 0.161 0.000 1.142 841 G CA 0.138 45.333 45.100 0.157 0.000 0.759 841 G HN 0.077 nan 8.290 nan 0.000 0.550 842 M N 0.097 119.762 119.600 0.109 0.000 2.435 842 M HA 0.376 4.861 4.480 0.009 0.000 0.265 842 M C 1.600 177.965 176.300 0.107 0.000 1.104 842 M CA 0.818 56.182 55.300 0.107 0.000 1.140 842 M CB 0.059 32.728 32.600 0.114 0.000 1.372 842 M HN 0.026 nan 8.290 nan 0.000 0.456 843 L N -0.079 121.210 121.223 0.110 0.000 2.477 843 L HA 0.134 4.480 4.340 0.009 0.000 0.220 843 L C 2.117 179.007 176.870 0.033 0.000 1.106 843 L CA 0.982 55.887 54.840 0.109 0.000 0.851 843 L CB -0.847 41.296 42.059 0.140 0.000 0.994 843 L HN 0.470 nan 8.230 nan 0.000 0.462 844 R N -2.276 118.220 120.500 -0.007 0.000 2.189 844 R HA 0.018 4.363 4.340 0.009 0.000 0.203 844 R C 1.491 177.646 176.300 -0.242 0.000 1.012 844 R CA 0.501 56.514 56.100 -0.145 0.000 1.015 844 R CB -0.231 29.973 30.300 -0.160 0.000 0.938 844 R HN 0.284 nan 8.270 nan 0.000 0.472 845 H N -0.361 118.664 119.070 -0.075 0.000 2.575 845 H HA 0.220 4.782 4.556 0.009 0.000 0.267 845 H C -0.047 175.180 175.328 -0.168 0.000 0.966 845 H CA -0.189 55.807 56.048 -0.086 0.000 1.165 845 H CB 0.428 30.169 29.762 -0.035 0.000 1.433 845 H HN 0.115 nan 8.280 nan 0.000 0.544 846 C N 3.075 122.269 119.300 -0.177 0.000 2.435 846 C HA 0.425 4.891 4.460 0.009 0.000 0.375 846 C C 0.803 175.392 174.990 -0.669 0.000 1.281 846 C CA -0.279 58.384 59.018 -0.591 0.000 1.963 846 C CB -0.102 27.118 27.740 -0.867 0.000 2.490 846 C HN 0.587 nan 8.230 nan 0.000 0.557 847 R N 2.628 122.616 120.500 -0.853 0.000 2.664 847 R HA 0.455 4.801 4.340 0.009 0.000 0.266 847 R C -1.760 174.447 176.300 -0.155 0.000 1.046 847 R CA -0.643 55.289 56.100 -0.279 0.000 0.885 847 R CB 0.458 30.817 30.300 0.098 0.000 1.254 847 R HN 0.397 nan 8.270 nan 0.000 0.465 848 F N 0.847 120.986 119.950 0.314 0.000 2.378 848 F HA 0.661 5.193 4.527 0.009 0.000 0.319 848 F C 0.503 176.373 175.800 0.117 0.000 1.155 848 F CA 0.616 58.720 58.000 0.173 0.000 1.157 848 F CB 1.516 40.518 39.000 0.004 0.000 1.252 848 F HN 0.754 nan 8.300 nan 0.000 0.550 849 S N -0.792 115.088 115.700 0.300 0.000 2.732 849 S HA 0.489 4.964 4.470 0.009 0.000 0.276 849 S C -0.422 174.216 174.600 0.063 0.000 0.917 849 S CA -0.495 57.783 58.200 0.131 0.000 0.985 849 S CB 0.466 63.741 63.200 0.125 0.000 1.244 849 S HN 1.515 nan 8.310 nan 0.000 0.458 850 G N 0.592 109.401 108.800 0.015 0.000 2.464 850 G HA2 0.322 4.287 3.960 0.009 0.000 0.216 850 G HA3 0.322 4.287 3.960 0.009 0.000 0.216 850 G C 0.429 175.336 174.900 0.010 0.000 1.186 850 G CA 0.463 45.570 45.100 0.013 0.000 1.010 850 G HN 1.704 nan 8.290 nan 0.000 0.585 851 G N -0.187 108.621 108.800 0.013 0.000 2.474 851 G HA2 0.694 4.660 3.960 0.009 0.000 0.205 851 G HA3 0.694 4.660 3.960 0.009 0.000 0.205 851 G C 0.893 175.800 174.900 0.011 0.000 1.934 851 G CA 1.197 46.307 45.100 0.015 0.000 0.713 851 G HN 2.162 nan 8.290 nan 0.000 0.773 852 A N 1.260 124.085 122.820 0.008 0.000 2.484 852 A HA 0.532 4.857 4.320 0.009 0.000 0.268 852 A C 0.618 178.210 177.584 0.013 0.000 1.114 852 A CA 0.913 52.956 52.037 0.010 0.000 0.780 852 A CB -0.671 18.336 19.000 0.010 0.000 1.061 852 A HN 1.109 nan 8.150 nan 0.000 0.505 853 T N -0.432 114.126 114.554 0.007 0.000 2.885 853 T HA 0.370 4.725 4.350 0.009 0.000 0.285 853 T C 1.099 175.810 174.700 0.019 0.000 1.019 853 T CA 0.260 62.367 62.100 0.011 0.000 1.010 853 T CB 1.412 70.267 68.868 -0.022 0.000 1.022 853 T HN 0.637 nan 8.240 nan 0.000 0.466 854 T N 1.738 116.316 114.554 0.040 0.000 2.795 854 T HA -0.215 4.141 4.350 0.009 0.000 0.266 854 T C 1.633 176.348 174.700 0.026 0.000 1.056 854 T CA 3.035 65.163 62.100 0.047 0.000 1.141 854 T CB -0.999 67.913 68.868 0.073 0.000 0.840 854 T HN 0.921 nan 8.240 nan 0.000 0.493 855 T N -1.146 113.412 114.554 0.008 0.000 3.004 855 T HA 0.212 4.567 4.350 0.009 0.000 0.243 855 T C 0.958 175.645 174.700 -0.021 0.000 1.020 855 T CA -0.252 61.841 62.100 -0.012 0.000 1.145 855 T CB -0.132 68.718 68.868 -0.029 0.000 0.876 855 T HN 0.237 nan 8.240 nan 0.000 0.449 856 N N 3.088 121.773 118.700 -0.024 0.000 2.434 856 N HA 0.505 5.250 4.740 0.009 0.000 0.266 856 N C -0.493 175.036 175.510 0.033 0.000 1.223 856 N CA -0.602 52.454 53.050 0.010 0.000 0.972 856 N CB 0.459 38.947 38.487 0.001 0.000 1.207 856 N HN 0.653 nan 8.380 nan 0.000 0.525 857 N N -1.781 116.955 118.700 0.061 0.000 2.469 857 N HA 0.421 5.167 4.740 0.009 0.000 0.286 857 N C 0.380 175.874 175.510 -0.025 0.000 1.275 857 N CA -0.839 52.218 53.050 0.011 0.000 0.790 857 N CB 1.581 40.067 38.487 -0.001 0.000 1.446 857 N HN 0.181 nan 8.380 nan 0.000 0.501 858 R N -0.214 120.261 120.500 -0.042 0.000 2.189 858 R HA -0.268 4.078 4.340 0.009 0.000 0.252 858 R C 1.713 177.957 176.300 -0.093 0.000 1.134 858 R CA 2.318 58.386 56.100 -0.052 0.000 0.954 858 R CB -0.965 29.301 30.300 -0.056 0.000 0.890 858 R HN 0.791 nan 8.270 nan 0.000 0.443 859 S N -0.013 115.574 115.700 -0.189 0.000 2.400 859 S HA -0.164 4.312 4.470 0.009 0.000 0.232 859 S C 1.019 175.319 174.600 -0.499 0.000 1.025 859 S CA 0.977 58.964 58.200 -0.356 0.000 0.993 859 S CB -0.097 62.804 63.200 -0.499 0.000 0.808 859 S HN 0.454 nan 8.310 nan 0.000 0.478 860 Y N 1.063 121.234 120.300 -0.216 0.000 2.813 860 Y HA 0.449 5.004 4.550 0.009 0.000 0.378 860 Y C 1.692 177.579 175.900 -0.023 0.000 1.023 860 Y CA -0.485 57.406 58.100 -0.348 0.000 1.567 860 Y CB 0.168 38.342 38.460 -0.477 0.000 1.492 860 Y HN 0.343 nan 8.280 nan 0.000 0.533 861 G N -1.141 107.761 108.800 0.170 0.000 2.437 861 G HA2 -0.176 3.789 3.960 0.009 0.000 0.212 861 G HA3 -0.176 3.789 3.960 0.009 0.000 0.212 861 G C 0.047 175.042 174.900 0.158 0.000 1.174 861 G CA -0.146 45.032 45.100 0.130 0.000 0.811 861 G HN 0.497 nan 8.290 nan 0.000 0.537 862 H N 2.068 121.216 119.070 0.129 0.000 3.193 862 H HA 0.030 4.591 4.556 0.009 0.000 0.306 862 H C -1.229 174.008 175.328 -0.152 0.000 0.960 862 H CA -0.580 55.452 56.048 -0.028 0.000 1.375 862 H CB 1.087 30.812 29.762 -0.062 0.000 1.321 862 H HN -0.016 nan 8.280 nan 0.000 0.578 863 P HA -0.266 nan 4.420 nan 0.000 0.219 863 P C 1.318 178.472 177.300 -0.243 0.000 1.145 863 P CA 2.077 64.948 63.100 -0.380 0.000 0.813 863 P CB 0.048 31.586 31.700 -0.271 0.000 0.771 864 S N -2.102 113.429 115.700 -0.282 0.000 2.453 864 S HA -0.059 4.416 4.470 0.009 0.000 0.231 864 S C 1.476 175.943 174.600 -0.221 0.000 1.005 864 S CA 0.496 58.618 58.200 -0.129 0.000 0.949 864 S CB -1.481 61.593 63.200 -0.209 0.000 0.774 864 S HN 0.120 nan 8.310 nan 0.000 0.510 865 F N 1.484 121.406 119.950 -0.045 0.000 2.773 865 F HA 0.371 4.904 4.527 0.009 0.000 0.304 865 F C 2.181 177.798 175.800 -0.306 0.000 1.129 865 F CA -0.249 57.682 58.000 -0.115 0.000 1.378 865 F CB 0.259 39.250 39.000 -0.014 0.000 1.095 865 F HN 0.127 nan 8.300 nan 0.000 0.565 866 K N -0.802 119.342 120.400 -0.427 0.000 2.350 866 K HA 0.150 4.475 4.320 0.009 0.000 0.196 866 K C 1.278 177.191 176.600 -1.144 0.000 1.084 866 K CA 0.583 56.214 56.287 -1.093 0.000 0.967 866 K CB -0.159 31.052 32.500 -2.150 0.000 0.950 866 K HN 0.275 nan 8.250 nan 0.000 0.512 867 F N 1.471 121.097 119.950 -0.540 0.000 2.473 867 F HA 0.115 4.648 4.527 0.009 0.000 0.294 867 F C 2.387 178.136 175.800 -0.086 0.000 1.103 867 F CA 0.485 58.367 58.000 -0.197 0.000 1.442 867 F CB -0.332 38.628 39.000 -0.068 0.000 1.097 867 F HN -0.058 nan 8.300 nan 0.000 0.547 868 A N 0.545 123.408 122.820 0.071 0.000 1.835 868 A HA -0.002 4.323 4.320 0.009 0.000 0.215 868 A C 0.923 178.531 177.584 0.041 0.000 1.199 868 A CA 0.987 53.071 52.037 0.079 0.000 0.615 868 A CB -0.790 18.278 19.000 0.113 0.000 0.838 868 A HN 0.054 nan 8.150 nan 0.000 0.444 869 L N -0.470 120.739 121.223 -0.022 0.000 2.307 869 L HA 0.421 4.766 4.340 0.009 0.000 0.282 869 L C -2.741 174.086 176.870 -0.072 0.000 1.051 869 L CA -2.634 52.175 54.840 -0.052 0.000 0.804 869 L CB -0.154 41.840 42.059 -0.108 0.000 1.197 869 L HN -0.011 nan 8.230 nan 0.000 0.431 870 P HA 0.109 nan 4.420 nan 0.000 0.267 870 P C -0.447 176.878 177.300 0.041 0.000 1.209 870 P CA 0.087 63.235 63.100 0.080 0.000 0.763 870 P CB 0.529 32.295 31.700 0.110 0.000 0.816 871 Q N 1.967 121.792 119.800 0.042 0.000 2.266 871 Q HA 0.547 4.893 4.340 0.009 0.000 0.261 871 Q C 0.410 176.530 176.000 0.200 0.000 0.985 871 Q CA -0.748 55.011 55.803 -0.073 0.000 0.873 871 Q CB 2.327 30.760 28.738 -0.508 0.000 1.306 871 Q HN 0.465 nan 8.270 nan 0.000 0.447 872 A N 0.864 123.771 122.820 0.145 0.000 2.363 872 A HA 0.154 4.480 4.320 0.009 0.000 0.291 872 A C -0.027 177.747 177.584 0.317 0.000 1.210 872 A CA 0.140 52.296 52.037 0.199 0.000 0.892 872 A CB 0.054 19.136 19.000 0.138 0.000 1.121 872 A HN 0.801 nan 8.150 nan 0.000 0.522 873 C N -2.466 116.974 119.300 0.233 0.000 3.234 873 C HA 0.473 4.938 4.460 0.009 0.000 0.439 873 C C 0.093 175.168 174.990 0.143 0.000 0.946 873 C CA -0.040 59.109 59.018 0.220 0.000 1.193 873 C CB 0.176 28.028 27.740 0.188 0.000 1.579 873 C HN 1.088 nan 8.230 nan 0.000 0.614 874 T N 6.972 121.601 114.554 0.125 0.000 2.900 874 T HA 0.220 4.575 4.350 0.009 0.000 0.307 874 T C -1.067 173.671 174.700 0.064 0.000 1.065 874 T CA -0.460 61.692 62.100 0.086 0.000 1.105 874 T CB 1.171 70.080 68.868 0.069 0.000 0.979 874 T HN 0.724 nan 8.240 nan 0.000 0.544 875 P HA -0.179 nan 4.420 nan 0.000 0.213 875 P C 1.386 178.695 177.300 0.016 0.000 1.170 875 P CA 1.463 64.581 63.100 0.030 0.000 0.902 875 P CB 0.110 31.825 31.700 0.024 0.000 0.789 876 R N 0.473 120.985 120.500 0.020 0.000 2.112 876 R HA -0.133 4.212 4.340 0.009 0.000 0.242 876 R C 2.567 178.888 176.300 0.034 0.000 1.137 876 R CA 1.868 57.979 56.100 0.018 0.000 0.944 876 R CB -1.729 28.590 30.300 0.032 0.000 0.857 876 R HN 0.158 nan 8.270 nan 0.000 0.435 877 A N 1.846 124.714 122.820 0.081 0.000 2.131 877 A HA -0.139 4.186 4.320 0.009 0.000 0.220 877 A C 2.120 179.743 177.584 0.064 0.000 1.158 877 A CA 0.967 53.098 52.037 0.157 0.000 0.665 877 A CB -0.508 18.536 19.000 0.073 0.000 0.795 877 A HN 0.313 nan 8.150 nan 0.000 0.460 878 L N 0.994 122.209 121.223 -0.013 0.000 2.017 878 L HA -0.386 3.959 4.340 0.009 0.000 0.234 878 L C 2.500 179.283 176.870 -0.146 0.000 1.097 878 L CA 3.260 58.056 54.840 -0.074 0.000 0.816 878 L CB -0.812 41.209 42.059 -0.063 0.000 0.914 878 L HN 0.605 nan 8.230 nan 0.000 0.444 879 K N -1.707 118.574 120.400 -0.199 0.000 2.090 879 K HA -0.342 3.984 4.320 0.009 0.000 0.218 879 K C 1.954 178.371 176.600 -0.305 0.000 1.055 879 K CA 2.551 58.668 56.287 -0.282 0.000 0.941 879 K CB -1.589 30.674 32.500 -0.395 0.000 0.722 879 K HN 0.492 nan 8.250 nan 0.000 0.458 880 Y N 1.304 121.407 120.300 -0.328 0.000 2.040 880 Y HA -0.271 4.284 4.550 0.009 0.000 0.275 880 Y C 2.756 178.492 175.900 -0.274 0.000 1.171 880 Y CA 1.544 59.364 58.100 -0.466 0.000 1.123 880 Y CB -1.031 36.700 38.460 -1.215 0.000 0.963 880 Y HN 0.099 nan 8.280 nan 0.000 0.493 881 V N 0.633 120.439 119.914 -0.181 0.000 2.469 881 V HA -0.247 3.878 4.120 0.009 0.000 0.251 881 V C 1.838 177.815 176.094 -0.195 0.000 1.064 881 V CA 1.807 63.973 62.300 -0.223 0.000 1.066 881 V CB -0.604 30.839 31.823 -0.634 0.000 0.667 881 V HN 0.495 nan 8.190 nan 0.000 0.461 882 L N 0.353 121.483 121.223 -0.156 0.000 2.109 882 L HA 0.017 4.362 4.340 0.009 0.000 0.207 882 L C 2.915 179.750 176.870 -0.058 0.000 1.086 882 L CA 1.433 56.206 54.840 -0.112 0.000 0.760 882 L CB -1.008 40.986 42.059 -0.110 0.000 0.910 882 L HN 0.428 nan 8.230 nan 0.000 0.437 883 A N 0.274 123.073 122.820 -0.035 0.000 1.969 883 A HA -0.180 4.146 4.320 0.009 0.000 0.218 883 A C 2.201 179.840 177.584 0.092 0.000 1.169 883 A CA 1.339 53.389 52.037 0.021 0.000 0.635 883 A CB -0.500 18.515 19.000 0.025 0.000 0.810 883 A HN 0.318 nan 8.150 nan 0.000 0.445 884 L N 0.267 121.573 121.223 0.139 0.000 1.976 884 L HA -0.132 4.214 4.340 0.009 0.000 0.209 884 L C 2.403 179.319 176.870 0.076 0.000 1.071 884 L CA 2.611 57.558 54.840 0.177 0.000 0.746 884 L CB -0.897 41.272 42.059 0.182 0.000 0.890 884 L HN 0.477 nan 8.230 nan 0.000 0.432 885 R N -0.130 120.365 120.500 -0.008 0.000 2.103 885 R HA -0.188 4.157 4.340 0.009 0.000 0.242 885 R C 1.914 178.207 176.300 -0.012 0.000 1.142 885 R CA 1.590 57.675 56.100 -0.025 0.000 0.960 885 R CB -0.587 29.680 30.300 -0.055 0.000 0.858 885 R HN 0.539 nan 8.270 nan 0.000 0.439 886 A N -0.093 122.726 122.820 -0.002 0.000 2.259 886 A HA -0.081 4.244 4.320 0.009 0.000 0.212 886 A C 1.409 179.004 177.584 0.018 0.000 1.178 886 A CA 1.490 53.529 52.037 0.004 0.000 0.734 886 A CB -0.175 18.826 19.000 0.002 0.000 0.774 886 A HN 0.591 nan 8.150 nan 0.000 0.481 887 S N -3.122 112.592 115.700 0.023 0.000 2.787 887 S HA 0.280 4.755 4.470 0.009 0.000 0.255 887 S C 0.346 174.927 174.600 -0.032 0.000 1.051 887 S CA 0.340 58.563 58.200 0.039 0.000 1.124 887 S CB 0.018 63.282 63.200 0.107 0.000 1.104 887 S HN 0.371 nan 8.310 nan 0.000 0.623 888 T N 1.671 116.154 114.554 -0.118 0.000 2.906 888 T HA 0.411 4.766 4.350 0.009 0.000 0.295 888 T C 0.463 175.057 174.700 -0.177 0.000 1.075 888 T CA -0.588 61.333 62.100 -0.299 0.000 1.005 888 T CB 1.208 69.641 68.868 -0.726 0.000 1.136 888 T HN 0.386 nan 8.240 nan 0.000 0.498 889 H N 2.020 120.991 119.070 -0.165 0.000 2.563 889 H HA 0.257 4.819 4.556 0.009 0.000 0.264 889 H C -0.127 175.025 175.328 -0.293 0.000 0.957 889 H CA -0.278 55.626 56.048 -0.240 0.000 1.173 889 H CB -0.175 29.395 29.762 -0.319 0.000 1.420 889 H HN 0.361 nan 8.280 nan 0.000 0.551 890 F N 3.459 123.211 119.950 -0.329 0.000 2.406 890 F HA 0.103 4.635 4.527 0.008 0.000 0.327 890 F C 0.592 176.369 175.800 -0.038 0.000 1.153 890 F CA -0.896 57.035 58.000 -0.116 0.000 1.218 890 F CB 0.591 39.508 39.000 -0.139 0.000 1.215 890 F HN 0.106 nan 8.300 nan 0.000 0.570 891 D N 1.955 122.483 120.400 0.213 0.000 2.380 891 D HA 0.142 4.788 4.640 0.009 0.000 0.230 891 D C -0.238 176.171 176.300 0.182 0.000 1.154 891 D CA -0.375 53.711 54.000 0.144 0.000 0.859 891 D CB 0.490 41.357 40.800 0.112 0.000 1.045 891 D HN 0.157 nan 8.370 nan 0.000 0.495 892 I N 3.097 123.751 120.570 0.140 0.000 2.366 892 I HA 0.031 4.206 4.170 0.009 0.000 0.302 892 I C 1.149 177.350 176.117 0.139 0.000 1.194 892 I CA -0.263 61.139 61.300 0.170 0.000 1.667 892 I CB -1.441 36.560 38.000 0.001 0.000 1.501 892 I HN 0.146 nan 8.210 nan 0.000 0.776 893 R N 4.848 125.474 120.500 0.211 0.000 2.811 893 R HA 0.384 4.730 4.340 0.009 0.000 0.265 893 R C 0.109 176.571 176.300 0.271 0.000 1.026 893 R CA -0.145 56.063 56.100 0.181 0.000 1.142 893 R CB 0.943 31.345 30.300 0.169 0.000 1.027 893 R HN 0.569 nan 8.270 nan 0.000 0.465 894 I N -1.692 118.994 120.570 0.194 0.000 2.647 894 I HA 0.311 4.486 4.170 0.009 0.000 0.295 894 I C 0.385 176.608 176.117 0.176 0.000 1.078 894 I CA -0.672 60.790 61.300 0.270 0.000 1.048 894 I CB 2.298 40.389 38.000 0.152 0.000 1.239 894 I HN 0.825 nan 8.210 nan 0.000 0.421 895 S N 4.510 120.317 115.700 0.178 0.000 2.298 895 S HA 0.231 4.706 4.470 0.009 0.000 0.245 895 S C 0.492 175.151 174.600 0.100 0.000 1.230 895 S CA -0.225 58.038 58.200 0.105 0.000 1.009 895 S CB -0.023 63.221 63.200 0.074 0.000 1.019 895 S HN 0.803 nan 8.310 nan 0.000 0.459 896 D N 0.186 120.632 120.400 0.077 0.000 2.111 896 D HA 0.015 4.660 4.640 0.009 0.000 0.232 896 D C -0.176 176.180 176.300 0.093 0.000 1.380 896 D CA 1.098 55.141 54.000 0.070 0.000 0.916 896 D CB 0.055 40.887 40.800 0.054 0.000 1.377 896 D HN 0.525 nan 8.370 nan 0.000 0.536 897 I N 0.721 121.341 120.570 0.084 0.000 2.806 897 I HA 0.012 4.188 4.170 0.009 0.000 0.272 897 I C -0.954 175.221 176.117 0.097 0.000 1.558 897 I CA 0.090 61.443 61.300 0.090 0.000 0.842 897 I CB 0.460 38.499 38.000 0.064 0.000 1.567 897 I HN 0.098 nan 8.210 nan 0.000 0.561 898 S N 5.289 121.066 115.700 0.128 0.000 2.664 898 S HA 0.672 5.147 4.470 0.009 0.000 0.304 898 S C -2.155 172.550 174.600 0.175 0.000 1.099 898 S CA -1.426 56.884 58.200 0.183 0.000 1.003 898 S CB 1.851 65.194 63.200 0.239 0.000 1.092 898 S HN 0.419 nan 8.310 nan 0.000 0.525 899 P HA 0.210 nan 4.420 nan 0.000 0.255 899 P C -0.650 176.571 177.300 -0.133 0.000 1.301 899 P CA 0.018 63.110 63.100 -0.013 0.000 0.817 899 P CB -0.343 31.289 31.700 -0.113 0.000 1.259 900 F N 1.967 121.924 119.950 0.010 0.000 2.420 900 F HA 0.310 4.842 4.527 0.009 0.000 0.342 900 F C 1.314 177.138 175.800 0.039 0.000 1.113 900 F CA -0.564 57.438 58.000 0.003 0.000 1.059 900 F CB 1.263 40.261 39.000 -0.004 0.000 1.128 900 F HN -0.062 nan 8.300 nan 0.000 0.475 901 N N 1.717 120.543 118.700 0.210 0.000 2.741 901 N HA 0.553 5.298 4.740 0.009 0.000 0.310 901 N C -1.553 174.090 175.510 0.221 0.000 1.295 901 N CA -1.148 52.023 53.050 0.202 0.000 0.893 901 N CB 1.704 40.307 38.487 0.195 0.000 1.247 901 N HN 0.409 nan 8.380 nan 0.000 0.596 902 K N 0.125 120.632 120.400 0.177 0.000 2.394 902 K HA 0.415 4.740 4.320 0.009 0.000 0.260 902 K C -1.124 175.579 176.600 0.170 0.000 0.967 902 K CA -0.630 55.751 56.287 0.156 0.000 0.855 902 K CB 1.930 34.492 32.500 0.104 0.000 1.101 902 K HN 0.636 nan 8.250 nan 0.000 0.433 903 A N 3.024 125.964 122.820 0.200 0.000 2.328 903 A HA 0.549 4.874 4.320 0.009 0.000 0.284 903 A C 0.137 177.924 177.584 0.339 0.000 1.160 903 A CA -0.410 51.769 52.037 0.237 0.000 0.818 903 A CB 0.222 19.368 19.000 0.243 0.000 1.087 903 A HN 0.547 nan 8.150 nan 0.000 0.504 904 V N -0.478 119.598 119.914 0.270 0.000 3.069 904 V HA 0.886 5.012 4.120 0.009 0.000 0.312 904 V C -0.167 175.924 176.094 -0.004 0.000 1.369 904 V CA -0.511 61.937 62.300 0.247 0.000 1.047 904 V CB 1.406 33.298 31.823 0.115 0.000 1.098 904 V HN 0.771 nan 8.190 nan 0.000 0.473 905 T N 0.582 115.146 114.554 0.016 0.000 2.906 905 T HA 0.609 4.965 4.350 0.009 0.000 0.302 905 T C -1.535 173.123 174.700 -0.071 0.000 1.002 905 T CA -0.148 61.886 62.100 -0.110 0.000 0.988 905 T CB 1.012 69.891 68.868 0.019 0.000 0.972 905 T HN 1.295 nan 8.240 nan 0.000 0.447 906 V N 7.973 127.823 119.914 -0.107 0.000 2.444 906 V HA 0.662 4.787 4.120 0.009 0.000 0.294 906 V C -2.606 173.447 176.094 -0.068 0.000 1.022 906 V CA -2.519 59.742 62.300 -0.066 0.000 0.850 906 V CB 1.931 33.721 31.823 -0.054 0.000 0.992 906 V HN 0.634 nan 8.190 nan 0.000 0.426 907 P HA 0.164 nan 4.420 nan 0.000 0.264 907 P C -0.278 177.005 177.300 -0.030 0.000 1.183 907 P CA 0.376 63.457 63.100 -0.033 0.000 0.763 907 P CB 0.590 32.284 31.700 -0.010 0.000 0.807 908 K N 1.860 122.238 120.400 -0.037 0.000 2.826 908 K HA 0.133 4.458 4.320 0.009 0.000 0.195 908 K C 0.185 176.760 176.600 -0.041 0.000 1.516 908 K CA 0.113 56.375 56.287 -0.041 0.000 1.213 908 K CB 0.382 32.852 32.500 -0.050 0.000 1.762 908 K HN 0.212 nan 8.250 nan 0.000 0.583 909 N N -0.657 118.027 118.700 -0.026 0.000 3.184 909 N HA 0.311 5.056 4.740 0.009 0.000 0.353 909 N C 0.033 175.556 175.510 0.022 0.000 1.441 909 N CA -0.239 52.808 53.050 -0.005 0.000 0.723 909 N CB 1.732 40.220 38.487 0.003 0.000 1.547 909 N HN -0.028 nan 8.380 nan 0.000 0.624 910 S N -0.390 115.351 115.700 0.069 0.000 2.499 910 S HA 0.019 4.494 4.470 0.009 0.000 0.225 910 S C 1.077 175.719 174.600 0.070 0.000 1.050 910 S CA 0.358 58.628 58.200 0.117 0.000 0.928 910 S CB 0.146 63.526 63.200 0.299 0.000 0.803 910 S HN 0.582 nan 8.310 nan 0.000 0.506 911 K N 1.143 121.569 120.400 0.043 0.000 2.404 911 K HA 0.254 4.579 4.320 0.009 0.000 0.194 911 K C 0.230 176.837 176.600 0.013 0.000 1.023 911 K CA 0.198 56.499 56.287 0.023 0.000 1.094 911 K CB 0.434 32.942 32.500 0.013 0.000 0.841 911 K HN 0.098 nan 8.250 nan 0.000 0.523 912 T N 0.014 114.571 114.554 0.004 0.000 2.977 912 T HA 0.140 4.495 4.350 0.009 0.000 0.345 912 T C -1.703 172.973 174.700 -0.040 0.000 1.562 912 T CA -0.810 61.280 62.100 -0.017 0.000 1.090 912 T CB 1.569 70.425 68.868 -0.020 0.000 1.383 912 T HN 0.113 nan 8.240 nan 0.000 0.484 913 D N 1.340 121.698 120.400 -0.070 0.000 2.376 913 D HA 0.535 5.180 4.640 0.009 0.000 0.268 913 D C 0.225 176.438 176.300 -0.146 0.000 1.252 913 D CA -0.269 53.668 54.000 -0.104 0.000 1.041 913 D CB 0.440 41.164 40.800 -0.127 0.000 1.109 913 D HN 0.410 nan 8.370 nan 0.000 0.552 914 R N -0.645 119.745 120.500 -0.184 0.000 2.686 914 R HA 0.490 4.836 4.340 0.009 0.000 0.283 914 R C -1.507 174.616 176.300 -0.294 0.000 0.978 914 R CA -0.632 55.355 56.100 -0.189 0.000 0.897 914 R CB 1.147 31.381 30.300 -0.111 0.000 1.192 914 R HN 0.457 nan 8.270 nan 0.000 0.457 915 C N 4.701 123.818 119.300 -0.305 0.000 2.330 915 C HA 0.634 5.099 4.460 0.009 0.000 0.344 915 C C 0.426 175.312 174.990 -0.173 0.000 1.273 915 C CA -0.497 58.284 59.018 -0.395 0.000 1.879 915 C CB -0.202 27.286 27.740 -0.420 0.000 2.376 915 C HN 0.707 nan 8.230 nan 0.000 0.534 916 I N 1.132 121.616 120.570 -0.144 0.000 3.467 916 I HA 0.767 4.942 4.170 0.009 0.000 0.314 916 I C -1.142 174.980 176.117 0.007 0.000 1.177 916 I CA -0.646 60.626 61.300 -0.047 0.000 0.943 916 I CB 2.159 40.131 38.000 -0.047 0.000 1.338 916 I HN 0.662 nan 8.210 nan 0.000 0.482 917 A N 3.245 126.080 122.820 0.025 0.000 2.375 917 A HA 0.657 4.982 4.320 0.009 0.000 0.295 917 A C -1.300 176.315 177.584 0.052 0.000 1.066 917 A CA -0.324 51.751 52.037 0.063 0.000 0.722 917 A CB 0.914 19.954 19.000 0.067 0.000 1.206 917 A HN 0.467 nan 8.150 nan 0.000 0.435 918 I N 3.365 123.978 120.570 0.070 0.000 2.282 918 I HA 0.164 4.339 4.170 0.009 0.000 0.290 918 I C 0.265 176.428 176.117 0.076 0.000 1.090 918 I CA 0.110 61.445 61.300 0.059 0.000 1.231 918 I CB 0.647 38.680 38.000 0.055 0.000 1.434 918 I HN 0.600 nan 8.210 nan 0.000 0.487 919 E N 7.410 127.648 120.200 0.063 0.000 2.345 919 E HA 0.295 4.651 4.350 0.009 0.000 0.259 919 E C -2.256 174.394 176.600 0.084 0.000 1.117 919 E CA -1.855 54.591 56.400 0.077 0.000 0.913 919 E CB 0.252 29.980 29.700 0.047 0.000 1.057 919 E HN 0.166 nan 8.360 nan 0.000 0.432 920 P HA -0.066 nan 4.420 nan 0.000 0.260 920 P C 0.771 178.147 177.300 0.127 0.000 1.172 920 P CA 0.554 63.728 63.100 0.123 0.000 0.760 920 P CB 0.324 32.115 31.700 0.152 0.000 0.773 921 G N 1.297 110.149 108.800 0.087 0.000 2.509 921 G HA2 -0.196 3.769 3.960 0.009 0.000 0.218 921 G HA3 -0.196 3.769 3.960 0.009 0.000 0.218 921 G C 0.955 175.918 174.900 0.106 0.000 1.124 921 G CA 0.072 45.209 45.100 0.062 0.000 0.776 921 G HN 0.502 nan 8.290 nan 0.000 0.547 922 W N 0.364 121.784 121.300 0.200 0.000 2.539 922 W HA 0.124 4.790 4.660 0.009 0.000 0.281 922 W C 2.350 179.055 176.519 0.310 0.000 1.220 922 W CA -0.085 57.382 57.345 0.203 0.000 1.332 922 W CB 0.173 29.744 29.460 0.186 0.000 1.095 922 W HN 0.062 nan 8.180 nan 0.000 0.571 923 N N 0.297 119.252 118.700 0.425 0.000 2.036 923 N HA -0.229 4.516 4.740 0.009 0.000 0.195 923 N C 1.694 177.337 175.510 0.221 0.000 1.037 923 N CA 1.755 54.966 53.050 0.269 0.000 0.855 923 N CB -0.816 37.757 38.487 0.143 0.000 1.033 923 N HN 0.024 nan 8.380 nan 0.000 0.423 924 M N -0.666 119.027 119.600 0.155 0.000 2.159 924 M HA -0.123 4.363 4.480 0.009 0.000 0.263 924 M C 1.787 178.112 176.300 0.041 0.000 1.063 924 M CA 0.893 56.235 55.300 0.070 0.000 1.110 924 M CB -0.627 32.014 32.600 0.068 0.000 1.374 924 M HN 0.104 nan 8.290 nan 0.000 0.411 925 F N 0.539 120.380 119.950 -0.183 0.000 2.115 925 F HA -0.284 4.248 4.527 0.009 0.000 0.300 925 F C 1.671 177.247 175.800 -0.374 0.000 1.092 925 F CA 1.894 59.589 58.000 -0.509 0.000 1.245 925 F CB -0.405 38.071 39.000 -0.872 0.000 0.995 925 F HN 0.008 nan 8.300 nan 0.000 0.481 926 F N -0.461 119.483 119.950 -0.009 0.000 2.530 926 F HA 0.040 4.573 4.527 0.009 0.000 0.292 926 F C 2.313 178.058 175.800 -0.093 0.000 1.109 926 F CA 0.469 58.406 58.000 -0.104 0.000 1.450 926 F CB -0.680 38.239 39.000 -0.135 0.000 1.114 926 F HN -0.104 nan 8.300 nan 0.000 0.560 927 Q N 0.320 120.177 119.800 0.095 0.000 2.224 927 Q HA -0.102 4.244 4.340 0.009 0.000 0.203 927 Q C 1.799 177.836 176.000 0.062 0.000 0.970 927 Q CA 1.126 56.948 55.803 0.033 0.000 0.865 927 Q CB -0.150 28.471 28.738 -0.195 0.000 0.922 927 Q HN 0.470 nan 8.270 nan 0.000 0.445 928 L N -0.951 120.264 121.223 -0.014 0.000 2.558 928 L HA 0.127 4.473 4.340 0.009 0.000 0.225 928 L C 2.081 178.940 176.870 -0.018 0.000 1.128 928 L CA 0.245 55.078 54.840 -0.011 0.000 0.868 928 L CB -0.268 41.754 42.059 -0.061 0.000 1.006 928 L HN 0.214 nan 8.230 nan 0.000 0.454 929 G N 1.805 110.572 108.800 -0.056 0.000 2.453 929 G HA2 -0.213 3.753 3.960 0.009 0.000 0.215 929 G HA3 -0.213 3.753 3.960 0.009 0.000 0.215 929 G C 1.487 176.422 174.900 0.060 0.000 1.201 929 G CA 0.963 46.048 45.100 -0.024 0.000 0.784 929 G HN 0.341 nan 8.290 nan 0.000 0.545 930 I N 0.516 121.142 120.570 0.094 0.000 2.876 930 I HA 0.152 4.328 4.170 0.009 0.000 0.264 930 I C 2.360 178.544 176.117 0.112 0.000 1.204 930 I CA 1.502 62.873 61.300 0.119 0.000 1.485 930 I CB -1.526 36.574 38.000 0.167 0.000 1.103 930 I HN 0.127 nan 8.210 nan 0.000 0.446 931 G N 2.152 111.043 108.800 0.151 0.000 2.529 931 G HA2 -0.277 3.688 3.960 0.009 0.000 0.219 931 G HA3 -0.277 3.688 3.960 0.009 0.000 0.219 931 G C 1.606 176.539 174.900 0.054 0.000 1.177 931 G CA 1.051 46.234 45.100 0.138 0.000 0.773 931 G HN 0.543 nan 8.290 nan 0.000 0.573 932 G N 0.200 109.032 108.800 0.053 0.000 2.598 932 G HA2 0.055 4.021 3.960 0.009 0.000 0.215 932 G HA3 0.055 4.021 3.960 0.009 0.000 0.215 932 G C 1.646 176.257 174.900 -0.483 0.000 1.131 932 G CA 0.718 45.858 45.100 0.067 0.000 0.785 932 G HN 0.576 nan 8.290 nan 0.000 0.539 933 I N -1.054 119.242 120.570 -0.457 0.000 2.731 933 I HA 0.170 4.346 4.170 0.009 0.000 0.260 933 I C 2.168 178.168 176.117 -0.195 0.000 1.138 933 I CA 0.254 61.299 61.300 -0.425 0.000 1.461 933 I CB 0.028 37.899 38.000 -0.216 0.000 1.128 933 I HN -0.027 nan 8.210 nan 0.000 0.438 934 L N 1.018 122.163 121.223 -0.131 0.000 2.263 934 L HA -0.204 4.142 4.340 0.009 0.000 0.216 934 L C 2.689 179.440 176.870 -0.198 0.000 1.111 934 L CA 1.338 56.056 54.840 -0.203 0.000 0.773 934 L CB -0.789 41.163 42.059 -0.179 0.000 0.906 934 L HN 0.401 nan 8.230 nan 0.000 0.439 935 R N 0.325 120.742 120.500 -0.139 0.000 2.060 935 R HA -0.137 4.209 4.340 0.009 0.000 0.225 935 R C 1.929 178.172 176.300 -0.094 0.000 1.155 935 R CA 1.570 57.618 56.100 -0.087 0.000 0.930 935 R CB -0.076 30.223 30.300 -0.003 0.000 0.829 935 R HN 0.138 nan 8.270 nan 0.000 0.433 936 D N -0.099 120.246 120.400 -0.092 0.000 2.203 936 D HA -0.184 4.461 4.640 0.009 0.000 0.199 936 D C 1.993 178.244 176.300 -0.082 0.000 0.997 936 D CA 1.294 55.263 54.000 -0.052 0.000 0.863 936 D CB -0.001 40.773 40.800 -0.043 0.000 0.928 936 D HN 0.071 nan 8.370 nan 0.000 0.458 937 R N -0.423 119.988 120.500 -0.149 0.000 2.080 937 R HA 0.103 4.449 4.340 0.009 0.000 0.222 937 R C 1.751 177.889 176.300 -0.270 0.000 1.107 937 R CA 0.133 56.115 56.100 -0.196 0.000 0.980 937 R CB -0.673 29.471 30.300 -0.260 0.000 0.879 937 R HN 0.074 nan 8.270 nan 0.000 0.439 938 L N 1.186 122.223 121.223 -0.309 0.000 2.651 938 L HA -0.067 4.279 4.340 0.009 0.000 0.236 938 L C 1.629 178.398 176.870 -0.169 0.000 1.173 938 L CA 1.339 55.961 54.840 -0.363 0.000 0.843 938 L CB -0.444 41.430 42.059 -0.308 0.000 0.964 938 L HN 0.111 nan 8.230 nan 0.000 0.454 939 R N -2.488 117.956 120.500 -0.094 0.000 2.119 939 R HA -0.070 4.275 4.340 0.009 0.000 0.222 939 R C 2.177 178.511 176.300 0.056 0.000 1.088 939 R CA 1.196 57.295 56.100 -0.001 0.000 0.984 939 R CB -0.379 29.924 30.300 0.006 0.000 0.884 939 R HN 0.367 nan 8.270 nan 0.000 0.447 940 C N -0.653 118.681 119.300 0.057 0.000 2.437 940 C HA -0.068 4.398 4.460 0.009 0.000 0.283 940 C C 1.065 176.283 174.990 0.380 0.000 1.424 940 C CA 0.074 59.197 59.018 0.174 0.000 1.782 940 C CB -0.924 26.919 27.740 0.170 0.000 1.833 940 C HN 0.581 nan 8.230 nan 0.000 0.532 941 W N 0.196 121.486 121.300 -0.016 0.000 3.330 941 W HA 0.389 5.055 4.660 0.009 0.000 0.348 941 W C 1.615 178.132 176.519 -0.003 0.000 1.205 941 W CA 0.061 57.399 57.345 -0.012 0.000 1.841 941 W CB -1.310 28.139 29.460 -0.018 0.000 1.084 941 W HN 0.422 nan 8.180 nan 0.000 0.665 942 G N 0.815 109.737 108.800 0.203 0.000 2.168 942 G HA2 -0.308 3.657 3.960 0.009 0.000 0.263 942 G HA3 -0.308 3.657 3.960 0.009 0.000 0.263 942 G C 0.214 175.180 174.900 0.111 0.000 0.977 942 G CA 0.009 45.183 45.100 0.122 0.000 0.659 942 G HN 0.209 nan 8.290 nan 0.000 0.533 943 I N 0.935 121.578 120.570 0.121 0.000 2.325 943 I HA 0.405 4.581 4.170 0.009 0.000 0.291 943 I C -0.387 175.769 176.117 0.065 0.000 1.019 943 I CA -0.485 60.870 61.300 0.092 0.000 1.302 943 I CB 1.284 39.329 38.000 0.074 0.000 1.401 943 I HN -0.018 nan 8.210 nan 0.000 0.485 944 D N 5.898 126.355 120.400 0.095 0.000 2.375 944 D HA 0.432 5.077 4.640 0.009 0.000 0.247 944 D C 0.155 176.567 176.300 0.187 0.000 1.061 944 D CA -0.417 53.645 54.000 0.105 0.000 0.834 944 D CB 2.143 43.001 40.800 0.096 0.000 1.247 944 D HN 0.408 nan 8.370 nan 0.000 0.489 945 L N 2.771 124.100 121.223 0.177 0.000 2.638 945 L HA 0.245 4.590 4.340 0.009 0.000 0.232 945 L C 1.416 178.528 176.870 0.404 0.000 1.099 945 L CA 0.119 55.119 54.840 0.266 0.000 0.883 945 L CB 0.029 42.094 42.059 0.009 0.000 1.136 945 L HN 0.355 nan 8.230 nan 0.000 0.492 946 N N -0.450 118.399 118.700 0.248 0.000 2.453 946 N HA -0.116 4.629 4.740 0.009 0.000 0.183 946 N C 0.099 175.733 175.510 0.206 0.000 1.041 946 N CA 0.483 53.658 53.050 0.209 0.000 0.900 946 N CB 0.132 38.695 38.487 0.126 0.000 0.961 946 N HN 0.083 nan 8.380 nan 0.000 0.443 947 D N 0.404 120.933 120.400 0.214 0.000 2.438 947 D HA 0.068 4.713 4.640 0.009 0.000 0.257 947 D C -0.048 176.265 176.300 0.022 0.000 1.148 947 D CA -0.449 53.615 54.000 0.106 0.000 0.902 947 D CB 0.529 41.376 40.800 0.078 0.000 1.062 947 D HN 0.197 nan 8.370 nan 0.000 0.518 948 Q N 1.112 120.822 119.800 -0.150 0.000 2.322 948 Q HA 0.062 4.407 4.340 0.009 0.000 0.203 948 Q C 0.966 176.862 176.000 -0.174 0.000 0.923 948 Q CA 0.070 55.631 55.803 -0.404 0.000 0.949 948 Q CB 0.372 28.649 28.738 -0.767 0.000 1.039 948 Q HN 0.175 nan 8.270 nan 0.000 0.496 949 T N 1.839 116.349 114.554 -0.074 0.000 2.894 949 T HA 0.029 4.385 4.350 0.009 0.000 0.258 949 T C 1.521 176.207 174.700 -0.023 0.000 1.043 949 T CA 0.607 62.687 62.100 -0.034 0.000 1.141 949 T CB -0.112 68.748 68.868 -0.013 0.000 0.873 949 T HN 0.590 nan 8.240 nan 0.000 0.449 950 I N -0.773 119.790 120.570 -0.011 0.000 3.620 950 I HA 0.298 4.473 4.170 0.009 0.000 0.305 950 I C 1.245 177.362 176.117 0.000 0.000 1.243 950 I CA 0.547 61.847 61.300 0.001 0.000 1.196 950 I CB -0.266 37.747 38.000 0.022 0.000 1.004 950 I HN 0.018 nan 8.210 nan 0.000 0.487 951 N N 0.434 119.120 118.700 -0.023 0.000 2.266 951 N HA 0.048 4.794 4.740 0.009 0.000 0.217 951 N C 1.492 176.986 175.510 -0.026 0.000 1.211 951 N CA 0.360 53.398 53.050 -0.019 0.000 0.881 951 N CB 0.384 38.857 38.487 -0.023 0.000 1.153 951 N HN 0.461 nan 8.380 nan 0.000 0.489 952 Q N -0.078 119.708 119.800 -0.024 0.000 2.123 952 Q HA 0.151 4.497 4.340 0.009 0.000 0.196 952 Q C 1.624 177.602 176.000 -0.036 0.000 0.958 952 Q CA 0.387 56.202 55.803 0.020 0.000 0.841 952 Q CB 0.094 28.880 28.738 0.080 0.000 0.915 952 Q HN 0.146 nan 8.270 nan 0.000 0.455 953 R N 1.360 121.833 120.500 -0.045 0.000 2.179 953 R HA -0.212 4.134 4.340 0.009 0.000 0.238 953 R C 2.309 178.564 176.300 -0.076 0.000 1.119 953 R CA 2.226 58.284 56.100 -0.071 0.000 0.915 953 R CB -0.450 29.830 30.300 -0.035 0.000 0.870 953 R HN 0.278 nan 8.270 nan 0.000 0.432 954 R N 0.107 120.569 120.500 -0.062 0.000 2.117 954 R HA -0.142 4.204 4.340 0.009 0.000 0.243 954 R C 2.343 178.559 176.300 -0.141 0.000 1.143 954 R CA 1.389 57.439 56.100 -0.083 0.000 0.968 954 R CB -0.578 29.691 30.300 -0.052 0.000 0.863 954 R HN 0.310 nan 8.270 nan 0.000 0.444 955 A N 1.402 124.140 122.820 -0.136 0.000 1.986 955 A HA -0.254 4.071 4.320 0.009 0.000 0.220 955 A C 2.095 179.498 177.584 -0.301 0.000 1.171 955 A CA 1.872 53.816 52.037 -0.155 0.000 0.640 955 A CB -0.846 18.121 19.000 -0.056 0.000 0.811 955 A HN 0.548 nan 8.150 nan 0.000 0.451 956 H N -1.002 117.682 119.070 -0.644 0.000 2.384 956 H HA -0.006 4.556 4.556 0.009 0.000 0.300 956 H C 1.969 177.034 175.328 -0.439 0.000 1.057 956 H CA 1.297 56.800 56.048 -0.908 0.000 1.370 956 H CB -0.283 28.618 29.762 -1.436 0.000 1.417 956 H HN 0.615 nan 8.280 nan 0.000 0.527 957 E N 0.621 120.474 120.200 -0.580 0.000 2.070 957 E HA -0.146 4.209 4.350 0.009 0.000 0.197 957 E C 2.294 178.685 176.600 -0.348 0.000 1.004 957 E CA 1.349 57.476 56.400 -0.456 0.000 0.805 957 E CB -0.442 29.128 29.700 -0.217 0.000 0.744 957 E HN 0.641 nan 8.360 nan 0.000 0.451 958 G N 0.149 108.786 108.800 -0.271 0.000 2.470 958 G HA2 -0.264 3.701 3.960 0.009 0.000 0.220 958 G HA3 -0.264 3.701 3.960 0.009 0.000 0.220 958 G C 1.648 176.407 174.900 -0.234 0.000 1.121 958 G CA 1.199 46.174 45.100 -0.209 0.000 0.766 958 G HN 0.440 nan 8.290 nan 0.000 0.553 959 S N -0.341 115.178 115.700 -0.302 0.000 2.458 959 S HA 0.037 4.513 4.470 0.009 0.000 0.223 959 S C 2.252 176.697 174.600 -0.258 0.000 1.019 959 S CA 0.977 59.002 58.200 -0.292 0.000 0.937 959 S CB 0.008 63.041 63.200 -0.279 0.000 0.788 959 S HN 0.408 nan 8.310 nan 0.000 0.511 960 V N 1.596 121.340 119.914 -0.284 0.000 2.300 960 V HA -0.032 4.093 4.120 0.009 0.000 0.241 960 V C 2.188 178.177 176.094 -0.176 0.000 1.034 960 V CA 2.319 64.489 62.300 -0.217 0.000 1.021 960 V CB -1.240 30.438 31.823 -0.241 0.000 0.662 960 V HN 0.484 nan 8.190 nan 0.000 0.458 961 T N 0.501 114.940 114.554 -0.192 0.000 2.777 961 T HA -0.087 4.268 4.350 0.009 0.000 0.266 961 T C 1.384 176.013 174.700 -0.119 0.000 1.040 961 T CA 1.523 63.538 62.100 -0.142 0.000 1.141 961 T CB -0.431 68.351 68.868 -0.144 0.000 0.868 961 T HN 0.676 nan 8.240 nan 0.000 0.444 962 N N 0.127 118.749 118.700 -0.130 0.000 2.925 962 N HA -0.174 4.571 4.740 0.009 0.000 0.244 962 N C 0.310 175.771 175.510 -0.081 0.000 1.000 962 N CA 1.019 54.006 53.050 -0.104 0.000 0.895 962 N CB -1.416 37.015 38.487 -0.092 0.000 1.119 962 N HN 0.546 nan 8.380 nan 0.000 0.569 963 N N -0.461 118.189 118.700 -0.084 0.000 2.511 963 N HA 0.236 4.981 4.740 0.009 0.000 0.190 963 N C 0.231 175.704 175.510 -0.061 0.000 1.037 963 N CA 0.117 53.126 53.050 -0.067 0.000 0.895 963 N CB 0.276 38.723 38.487 -0.066 0.000 1.149 963 N HN 0.100 nan 8.380 nan 0.000 0.437 964 L N 1.492 122.673 121.223 -0.068 0.000 2.416 964 L HA 0.416 4.761 4.340 0.009 0.000 0.272 964 L C 0.054 176.895 176.870 -0.050 0.000 1.161 964 L CA -0.686 54.120 54.840 -0.056 0.000 0.845 964 L CB 0.634 42.655 42.059 -0.063 0.000 1.119 964 L HN 0.124 nan 8.230 nan 0.000 0.464 965 A N 1.838 124.642 122.820 -0.028 0.000 2.322 965 A HA 0.766 5.091 4.320 0.009 0.000 0.327 965 A C -0.120 177.473 177.584 0.016 0.000 1.134 965 A CA -0.483 51.553 52.037 -0.002 0.000 0.831 965 A CB 1.489 20.491 19.000 0.003 0.000 1.288 965 A HN 0.696 nan 8.150 nan 0.000 0.472 966 T N -0.886 113.705 114.554 0.062 0.000 2.779 966 T HA 0.591 4.946 4.350 0.009 0.000 0.280 966 T C -0.101 174.648 174.700 0.082 0.000 0.987 966 T CA -0.198 61.949 62.100 0.080 0.000 0.966 966 T CB 0.463 69.402 68.868 0.119 0.000 0.933 966 T HN 1.741 nan 8.240 nan 0.000 0.442 967 V N 0.181 120.123 119.914 0.046 0.000 2.850 967 V HA 0.867 4.992 4.120 0.009 0.000 0.315 967 V C -1.018 175.086 176.094 0.018 0.000 1.064 967 V CA -0.830 61.483 62.300 0.021 0.000 0.979 967 V CB 1.680 33.517 31.823 0.023 0.000 1.039 967 V HN 1.017 nan 8.190 nan 0.000 0.452 968 D N 2.146 122.543 120.400 -0.005 0.000 2.896 968 D HA 0.539 5.185 4.640 0.009 0.000 0.241 968 D C -1.221 175.055 176.300 -0.041 0.000 1.188 968 D CA -0.343 53.654 54.000 -0.005 0.000 0.879 968 D CB 1.778 42.601 40.800 0.038 0.000 1.553 968 D HN 0.787 nan 8.370 nan 0.000 0.515 969 L N 3.358 124.529 121.223 -0.086 0.000 2.305 969 L HA 0.381 4.726 4.340 0.009 0.000 0.284 969 L C 1.141 177.972 176.870 -0.065 0.000 1.013 969 L CA -0.631 54.135 54.840 -0.124 0.000 0.819 969 L CB 1.616 43.475 42.059 -0.332 0.000 1.227 969 L HN 0.457 nan 8.230 nan 0.000 0.417 970 S N 2.604 118.289 115.700 -0.024 0.000 2.272 970 S HA -0.087 4.388 4.470 0.009 0.000 0.211 970 S C 1.023 175.624 174.600 0.001 0.000 1.361 970 S CA 0.772 58.973 58.200 0.003 0.000 2.318 970 S CB -0.088 63.124 63.200 0.021 0.000 0.571 970 S HN 0.768 nan 8.310 nan 0.000 0.354 971 A N 1.127 123.958 122.820 0.018 0.000 2.701 971 A HA 0.446 4.771 4.320 0.009 0.000 0.290 971 A C 0.909 178.498 177.584 0.009 0.000 1.534 971 A CA 0.479 52.531 52.037 0.025 0.000 1.137 971 A CB -1.009 18.016 19.000 0.042 0.000 1.032 971 A HN 0.625 nan 8.150 nan 0.000 0.580 972 A N 2.332 125.150 122.820 -0.005 0.000 2.353 972 A HA 0.175 4.500 4.320 0.009 0.000 0.218 972 A C 2.283 179.873 177.584 0.010 0.000 1.760 972 A CA 1.037 53.060 52.037 -0.023 0.000 0.638 972 A CB -1.132 17.868 19.000 -0.000 0.000 1.280 972 A HN 1.245 nan 8.150 nan 0.000 0.511 973 S N 0.352 116.074 115.700 0.037 0.000 2.469 973 S HA -0.078 4.397 4.470 0.009 0.000 0.238 973 S C 0.057 174.665 174.600 0.013 0.000 0.998 973 S CA 1.188 59.408 58.200 0.033 0.000 0.957 973 S CB -0.319 62.916 63.200 0.059 0.000 0.764 973 S HN 0.505 nan 8.310 nan 0.000 0.514 974 D N 1.101 121.510 120.400 0.016 0.000 2.894 974 D HA 0.367 5.012 4.640 0.009 0.000 0.248 974 D C 0.042 176.344 176.300 0.004 0.000 1.291 974 D CA 0.019 54.021 54.000 0.003 0.000 0.840 974 D CB 0.450 41.267 40.800 0.027 0.000 1.044 974 D HN 0.357 nan 8.370 nan 0.000 0.484 975 S N -0.726 114.997 115.700 0.038 0.000 2.631 975 S HA 0.103 4.578 4.470 0.009 0.000 0.248 975 S C 0.572 175.279 174.600 0.177 0.000 0.949 975 S CA -0.402 57.856 58.200 0.098 0.000 1.470 975 S CB 0.454 63.755 63.200 0.168 0.000 1.248 975 S HN 0.074 nan 8.310 nan 0.000 0.662 976 I N 4.455 125.101 120.570 0.127 0.000 2.593 976 I HA 0.065 4.241 4.170 0.009 0.000 0.304 976 I C 0.818 176.984 176.117 0.081 0.000 1.176 976 I CA 0.210 61.594 61.300 0.140 0.000 1.533 976 I CB -0.344 37.662 38.000 0.011 0.000 1.492 976 I HN 0.233 nan 8.210 nan 0.000 0.704 977 S N 4.907 120.645 115.700 0.064 0.000 2.562 977 S HA 0.204 4.679 4.470 0.009 0.000 0.281 977 S C 1.276 175.903 174.600 0.045 0.000 1.333 977 S CA -0.729 57.483 58.200 0.021 0.000 1.052 977 S CB 0.919 64.091 63.200 -0.045 0.000 0.884 977 S HN 0.543 nan 8.310 nan 0.000 0.506 978 L N 2.429 123.707 121.223 0.092 0.000 2.089 978 L HA -0.215 4.130 4.340 0.009 0.000 0.213 978 L C 2.910 179.874 176.870 0.157 0.000 1.079 978 L CA 1.917 56.872 54.840 0.193 0.000 0.758 978 L CB -1.204 40.991 42.059 0.226 0.000 0.891 978 L HN 0.969 nan 8.230 nan 0.000 0.433 979 A N 0.121 122.932 122.820 -0.014 0.000 1.848 979 A HA -0.302 4.024 4.320 0.009 0.000 0.217 979 A C 2.206 179.673 177.584 -0.196 0.000 1.220 979 A CA 2.240 54.106 52.037 -0.284 0.000 0.645 979 A CB -1.158 17.547 19.000 -0.492 0.000 0.842 979 A HN 0.318 nan 8.150 nan 0.000 0.451 980 L N -0.423 120.701 121.223 -0.165 0.000 2.137 980 L HA -0.231 4.114 4.340 0.009 0.000 0.213 980 L C 2.553 179.405 176.870 -0.028 0.000 1.085 980 L CA 2.122 56.894 54.840 -0.114 0.000 0.760 980 L CB -0.889 41.107 42.059 -0.106 0.000 0.893 980 L HN 0.558 nan 8.230 nan 0.000 0.434 981 C N 0.304 119.638 119.300 0.057 0.000 2.413 981 C HA -0.185 4.280 4.460 0.009 0.000 0.277 981 C C 2.738 177.839 174.990 0.185 0.000 1.228 981 C CA 1.288 60.409 59.018 0.172 0.000 1.731 981 C CB -0.943 26.988 27.740 0.318 0.000 2.042 981 C HN 0.769 nan 8.230 nan 0.000 0.468 982 E N 0.439 120.608 120.200 -0.052 0.000 2.208 982 E HA -0.113 4.243 4.350 0.009 0.000 0.193 982 E C 1.936 178.388 176.600 -0.247 0.000 0.988 982 E CA 0.865 56.921 56.400 -0.574 0.000 0.828 982 E CB -0.495 28.267 29.700 -1.562 0.000 0.763 982 E HN 0.599 nan 8.360 nan 0.000 0.478 983 L N 0.138 121.268 121.223 -0.154 0.000 2.129 983 L HA -0.179 4.166 4.340 0.009 0.000 0.212 983 L C 1.830 178.653 176.870 -0.078 0.000 1.087 983 L CA 0.843 55.615 54.840 -0.114 0.000 0.757 983 L CB -0.324 41.661 42.059 -0.124 0.000 0.896 983 L HN 0.211 nan 8.230 nan 0.000 0.434 984 L N -1.369 119.827 121.223 -0.044 0.000 2.638 984 L HA 0.241 4.587 4.340 0.009 0.000 0.232 984 L C 0.462 177.328 176.870 -0.006 0.000 1.099 984 L CA 0.609 55.440 54.840 -0.015 0.000 0.883 984 L CB 0.063 42.122 42.059 -0.001 0.000 1.136 984 L HN 0.039 nan 8.230 nan 0.000 0.492 985 L N 0.409 121.643 121.223 0.018 0.000 2.317 985 L HA 0.435 4.780 4.340 0.009 0.000 0.281 985 L C -2.037 174.891 176.870 0.097 0.000 1.024 985 L CA -1.768 53.106 54.840 0.057 0.000 0.810 985 L CB 1.185 43.353 42.059 0.182 0.000 1.240 985 L HN -0.172 nan 8.230 nan 0.000 0.427 986 P HA -0.035 nan 4.420 nan 0.000 0.264 986 P C -2.186 175.283 177.300 0.282 0.000 1.179 986 P CA -0.656 62.561 63.100 0.195 0.000 0.763 986 P CB 0.121 32.007 31.700 0.310 0.000 0.806 987 P HA -0.045 nan 4.420 nan 0.000 0.221 987 P C 1.570 179.019 177.300 0.248 0.000 1.155 987 P CA 1.167 64.411 63.100 0.239 0.000 0.812 987 P CB -0.232 31.548 31.700 0.134 0.000 0.801 988 G N -0.489 108.424 108.800 0.188 0.000 2.547 988 G HA2 -0.270 3.696 3.960 0.009 0.000 0.221 988 G HA3 -0.270 3.696 3.960 0.009 0.000 0.221 988 G C 1.111 176.016 174.900 0.010 0.000 1.140 988 G CA 0.976 46.126 45.100 0.084 0.000 0.760 988 G HN 0.225 nan 8.290 nan 0.000 0.583 989 W N -0.341 120.998 121.300 0.066 0.000 2.424 989 W HA 0.209 4.874 4.660 0.009 0.000 0.323 989 W C 2.230 178.784 176.519 0.058 0.000 1.175 989 W CA 0.589 57.956 57.345 0.037 0.000 1.312 989 W CB -1.259 28.208 29.460 0.012 0.000 1.186 989 W HN 0.099 nan 8.180 nan 0.000 0.463 990 F N 1.653 121.747 119.950 0.240 0.000 2.304 990 F HA -0.293 4.240 4.527 0.009 0.000 0.301 990 F C 2.046 177.900 175.800 0.089 0.000 1.052 990 F CA 2.044 60.119 58.000 0.124 0.000 1.389 990 F CB -0.245 38.811 39.000 0.095 0.000 1.081 990 F HN 0.005 nan 8.300 nan 0.000 0.538 991 E N -0.159 120.132 120.200 0.151 0.000 2.011 991 E HA -0.177 4.178 4.350 0.009 0.000 0.191 991 E C 2.250 178.829 176.600 -0.035 0.000 0.979 991 E CA 1.191 57.615 56.400 0.040 0.000 0.822 991 E CB -0.638 29.120 29.700 0.097 0.000 0.782 991 E HN 0.230 nan 8.360 nan 0.000 0.459 992 V N 1.703 121.612 119.914 -0.007 0.000 3.207 992 V HA -0.197 3.928 4.120 0.009 0.000 0.273 992 V C 1.675 177.746 176.094 -0.039 0.000 1.182 992 V CA 1.005 63.309 62.300 0.008 0.000 1.186 992 V CB -0.293 31.486 31.823 -0.074 0.000 0.801 992 V HN 0.175 nan 8.190 nan 0.000 0.548 993 L N -0.765 120.407 121.223 -0.084 0.000 2.262 993 L HA 0.266 4.611 4.340 0.009 0.000 0.197 993 L C 2.208 179.008 176.870 -0.118 0.000 1.073 993 L CA 1.602 56.372 54.840 -0.116 0.000 0.800 993 L CB -0.445 41.472 42.059 -0.235 0.000 0.987 993 L HN 0.193 nan 8.230 nan 0.000 0.470 994 M N -0.366 119.065 119.600 -0.282 0.000 2.358 994 M HA -0.168 4.317 4.480 0.009 0.000 0.264 994 M C 1.487 177.758 176.300 -0.049 0.000 1.064 994 M CA 1.076 56.250 55.300 -0.210 0.000 1.093 994 M CB -1.204 31.225 32.600 -0.285 0.000 1.401 994 M HN 0.210 nan 8.290 nan 0.000 0.440 995 D N 0.390 120.786 120.400 -0.006 0.000 2.077 995 D HA -0.101 4.544 4.640 0.009 0.000 0.197 995 D C 1.972 178.304 176.300 0.053 0.000 0.983 995 D CA 1.077 55.119 54.000 0.070 0.000 0.841 995 D CB -0.323 40.602 40.800 0.208 0.000 0.992 995 D HN 0.144 nan 8.370 nan 0.000 0.450 996 L N 0.636 121.867 121.223 0.013 0.000 2.191 996 L HA -0.042 4.303 4.340 0.009 0.000 0.212 996 L C 1.267 178.169 176.870 0.054 0.000 1.103 996 L CA 0.708 55.548 54.840 0.001 0.000 0.769 996 L CB -0.817 41.238 42.059 -0.005 0.000 0.908 996 L HN 0.038 nan 8.230 nan 0.000 0.438 997 R N 0.003 120.563 120.500 0.100 0.000 2.697 997 R HA -0.034 4.311 4.340 0.009 0.000 0.265 997 R C -0.235 176.108 176.300 0.072 0.000 1.009 997 R CA 0.263 56.422 56.100 0.099 0.000 1.099 997 R CB 0.314 30.683 30.300 0.115 0.000 0.965 997 R HN 0.069 nan 8.270 nan 0.000 0.428 998 S N 4.934 120.694 115.700 0.099 0.000 2.422 998 S HA 0.232 4.707 4.470 0.009 0.000 0.298 998 S C -1.853 172.840 174.600 0.156 0.000 1.118 998 S CA -1.487 56.779 58.200 0.111 0.000 1.083 998 S CB 1.896 65.184 63.200 0.146 0.000 0.971 998 S HN 0.604 nan 8.310 nan 0.000 0.478 999 P HA 0.101 nan 4.420 nan 0.000 0.216 999 P C -0.225 176.830 177.300 -0.407 0.000 1.154 999 P CA 0.755 63.789 63.100 -0.109 0.000 0.857 999 P CB 0.355 31.981 31.700 -0.123 0.000 0.787 1000 K N -0.757 119.257 120.400 -0.643 0.000 2.258 1000 K HA 0.695 5.020 4.320 0.009 0.000 0.236 1000 K C 0.014 176.029 176.600 -0.975 0.000 1.008 1000 K CA -0.900 54.816 56.287 -0.952 0.000 0.869 1000 K CB 1.524 33.245 32.500 -1.299 0.000 1.171 1000 K HN -0.067 nan 8.250 nan 0.000 0.447 1001 G N 0.374 108.765 108.800 -0.682 0.000 2.659 1001 G HA2 0.491 4.457 3.960 0.009 0.000 0.296 1001 G HA3 0.491 4.457 3.960 0.009 0.000 0.296 1001 G C -1.761 173.319 174.900 0.299 0.000 1.369 1001 G CA -0.656 44.385 45.100 -0.097 0.000 0.937 1001 G HN 0.354 nan 8.290 nan 0.000 0.485 1002 R N 1.277 121.998 120.500 0.368 0.000 2.295 1002 R HA 0.602 4.947 4.340 0.009 0.000 0.324 1002 R C -0.287 176.068 176.300 0.092 0.000 0.968 1002 R CA -0.561 55.667 56.100 0.212 0.000 0.837 1002 R CB 0.514 30.872 30.300 0.098 0.000 1.133 1002 R HN 0.285 nan 8.270 nan 0.000 0.450 1003 L N 6.548 127.772 121.223 0.003 0.000 2.479 1003 L HA 0.384 4.729 4.340 0.009 0.000 0.248 1003 L C -1.106 175.674 176.870 -0.149 0.000 1.205 1003 L CA -2.038 52.713 54.840 -0.148 0.000 0.817 1003 L CB 0.288 42.181 42.059 -0.276 0.000 1.162 1003 L HN 0.646 nan 8.230 nan 0.000 0.486 1004 P HA -0.121 nan 4.420 nan 0.000 0.215 1004 P C 0.375 177.570 177.300 -0.174 0.000 1.157 1004 P CA 1.033 64.039 63.100 -0.157 0.000 0.859 1004 P CB 0.170 31.782 31.700 -0.147 0.000 0.786 1005 D N -0.542 119.697 120.400 -0.267 0.000 2.420 1005 D HA -0.004 4.641 4.640 0.009 0.000 0.233 1005 D C 1.732 177.954 176.300 -0.130 0.000 1.017 1005 D CA 1.469 55.347 54.000 -0.203 0.000 0.951 1005 D CB -0.848 39.800 40.800 -0.253 0.000 0.877 1005 D HN 0.326 nan 8.370 nan 0.000 0.528 1006 G N 0.145 108.876 108.800 -0.114 0.000 2.304 1006 G HA2 -0.339 3.626 3.960 0.009 0.000 0.252 1006 G HA3 -0.339 3.626 3.960 0.009 0.000 0.252 1006 G C 0.705 175.562 174.900 -0.071 0.000 1.014 1006 G CA 0.742 45.791 45.100 -0.085 0.000 0.619 1006 G HN 0.572 nan 8.290 nan 0.000 0.525 1007 S N -0.216 115.442 115.700 -0.069 0.000 2.634 1007 S HA 0.742 5.217 4.470 0.009 0.000 0.261 1007 S C 0.347 174.954 174.600 0.012 0.000 1.271 1007 S CA -0.032 58.150 58.200 -0.031 0.000 0.985 1007 S CB 2.022 65.203 63.200 -0.032 0.000 0.968 1007 S HN 1.676 nan 8.310 nan 0.000 0.568 1008 V N -1.094 118.857 119.914 0.062 0.000 2.769 1008 V HA 0.923 5.048 4.120 0.009 0.000 0.312 1008 V C -0.173 175.988 176.094 0.112 0.000 1.058 1008 V CA -0.914 61.471 62.300 0.141 0.000 0.952 1008 V CB 0.826 32.772 31.823 0.205 0.000 1.019 1008 V HN 1.194 nan 8.190 nan 0.000 0.445 1009 V N -0.612 119.361 119.914 0.099 0.000 2.888 1009 V HA 0.881 5.006 4.120 0.009 0.000 0.309 1009 V C -0.096 175.911 176.094 -0.146 0.000 1.114 1009 V CA -0.069 62.268 62.300 0.061 0.000 0.940 1009 V CB 1.454 33.411 31.823 0.223 0.000 1.021 1009 V HN 1.269 nan 8.190 nan 0.000 0.426 1010 T N 0.952 115.436 114.554 -0.116 0.000 2.829 1010 T HA 0.670 5.026 4.350 0.009 0.000 0.282 1010 T C -0.770 173.903 174.700 -0.045 0.000 0.990 1010 T CA -0.377 61.595 62.100 -0.213 0.000 1.028 1010 T CB 1.014 69.814 68.868 -0.113 0.000 0.951 1010 T HN 0.573 nan 8.240 nan 0.000 0.460 1011 Y N 2.161 122.458 120.300 -0.005 0.000 2.335 1011 Y HA 0.334 4.890 4.550 0.009 0.000 0.331 1011 Y C 1.420 177.329 175.900 0.015 0.000 1.094 1011 Y CA -0.979 57.130 58.100 0.014 0.000 1.253 1011 Y CB 1.026 39.502 38.460 0.027 0.000 1.203 1011 Y HN 0.802 nan 8.280 nan 0.000 0.508 1012 E N 1.455 121.770 120.200 0.191 0.000 2.190 1012 E HA -0.030 4.325 4.350 0.009 0.000 0.191 1012 E C 0.191 176.832 176.600 0.069 0.000 0.978 1012 E CA 0.570 57.028 56.400 0.096 0.000 0.839 1012 E CB 0.173 29.898 29.700 0.042 0.000 0.787 1012 E HN 0.548 nan 8.360 nan 0.000 0.473 1013 K N 0.500 120.916 120.400 0.028 0.000 2.126 1013 K HA 0.128 4.453 4.320 0.009 0.000 0.257 1013 K C 0.786 177.404 176.600 0.031 0.000 1.007 1013 K CA -0.333 55.950 56.287 -0.006 0.000 0.928 1013 K CB 1.095 33.544 32.500 -0.086 0.000 1.013 1013 K HN -0.071 nan 8.250 nan 0.000 0.473 1014 I N 0.419 121.018 120.570 0.048 0.000 3.684 1014 I HA -0.040 4.136 4.170 0.009 0.000 0.304 1014 I C -0.297 175.878 176.117 0.097 0.000 1.278 1014 I CA 0.675 62.025 61.300 0.083 0.000 1.272 1014 I CB -0.075 37.973 38.000 0.080 0.000 1.029 1014 I HN 0.838 nan 8.210 nan 0.000 0.458 1015 S N -0.863 114.849 115.700 0.019 0.000 2.712 1015 S HA 0.303 4.779 4.470 0.009 0.000 0.279 1015 S C -0.959 173.597 174.600 -0.073 0.000 1.025 1015 S CA -0.351 57.853 58.200 0.007 0.000 0.861 1015 S CB 0.929 64.228 63.200 0.165 0.000 1.091 1015 S HN 0.242 nan 8.310 nan 0.000 0.457 1016 S N 3.251 118.897 115.700 -0.089 0.000 2.599 1016 S HA 0.698 5.173 4.470 0.009 0.000 0.294 1016 S C -0.304 174.286 174.600 -0.016 0.000 1.094 1016 S CA -0.921 57.241 58.200 -0.065 0.000 0.931 1016 S CB 1.449 64.592 63.200 -0.095 0.000 1.093 1016 S HN 0.815 nan 8.310 nan 0.000 0.488 1017 M N 1.934 121.539 119.600 0.007 0.000 2.251 1017 M HA 0.307 4.793 4.480 0.009 0.000 0.343 1017 M C 1.304 177.600 176.300 -0.007 0.000 1.245 1017 M CA 1.980 57.287 55.300 0.013 0.000 1.061 1017 M CB -0.363 32.247 32.600 0.016 0.000 1.723 1017 M HN 1.491 nan 8.290 nan 0.000 0.449 1018 G N 3.706 112.495 108.800 -0.019 0.000 2.179 1018 G HA2 -0.219 3.747 3.960 0.009 0.000 0.220 1018 G HA3 -0.219 3.747 3.960 0.009 0.000 0.220 1018 G C 0.126 174.998 174.900 -0.048 0.000 0.990 1018 G CA 0.017 45.099 45.100 -0.029 0.000 0.646 1018 G HN 0.752 nan 8.290 nan 0.000 0.517 1019 N N 1.180 119.834 118.700 -0.078 0.000 2.472 1019 N HA 0.418 5.163 4.740 0.009 0.000 0.277 1019 N C 1.624 176.988 175.510 -0.244 0.000 1.081 1019 N CA 0.581 53.517 53.050 -0.190 0.000 0.973 1019 N CB 1.043 39.360 38.487 -0.283 0.000 1.105 1019 N HN 0.318 nan 8.380 nan 0.000 0.470 1020 G N 2.544 111.190 108.800 -0.257 0.000 2.621 1020 G HA2 -0.244 3.721 3.960 0.009 0.000 0.215 1020 G HA3 -0.244 3.721 3.960 0.009 0.000 0.215 1020 G C 0.439 175.317 174.900 -0.037 0.000 1.127 1020 G CA 1.397 46.416 45.100 -0.135 0.000 0.747 1020 G HN 0.803 nan 8.290 nan 0.000 0.561 1021 Y N -4.599 115.726 120.300 0.041 0.000 2.648 1021 Y HA 0.326 4.881 4.550 0.009 0.000 0.270 1021 Y C 1.566 177.496 175.900 0.051 0.000 1.043 1021 Y CA -0.359 57.768 58.100 0.045 0.000 1.238 1021 Y CB -0.594 37.884 38.460 0.029 0.000 1.385 1021 Y HN -0.038 nan 8.280 nan 0.000 0.569 1022 T N 0.956 115.758 114.554 0.414 0.000 3.118 1022 T HA -0.095 4.260 4.350 0.009 0.000 0.269 1022 T C 0.958 175.802 174.700 0.240 0.000 1.166 1022 T CA 1.682 63.988 62.100 0.342 0.000 1.073 1022 T CB -0.597 68.358 68.868 0.145 0.000 0.884 1022 T HN 0.426 nan 8.240 nan 0.000 0.550 1023 F N 1.301 121.282 119.950 0.052 0.000 2.389 1023 F HA 0.300 4.833 4.527 0.009 0.000 0.275 1023 F C 1.936 177.698 175.800 -0.063 0.000 1.009 1023 F CA 0.546 58.530 58.000 -0.026 0.000 1.187 1023 F CB -0.334 38.635 39.000 -0.052 0.000 1.139 1023 F HN 0.035 nan 8.300 nan 0.000 0.613 1024 E N 0.823 120.978 120.200 -0.075 0.000 2.333 1024 E HA -0.185 4.170 4.350 0.009 0.000 0.200 1024 E C 1.754 178.209 176.600 -0.242 0.000 1.010 1024 E CA 1.188 57.455 56.400 -0.222 0.000 0.841 1024 E CB -0.417 29.239 29.700 -0.073 0.000 0.757 1024 E HN 0.427 nan 8.360 nan 0.000 0.508 1025 L N 0.926 122.044 121.223 -0.175 0.000 2.004 1025 L HA -0.111 4.234 4.340 0.009 0.000 0.205 1025 L C 2.131 178.818 176.870 -0.304 0.000 1.089 1025 L CA 1.848 56.549 54.840 -0.233 0.000 0.756 1025 L CB -0.642 41.305 42.059 -0.187 0.000 0.900 1025 L HN 0.141 nan 8.230 nan 0.000 0.440 1026 E N -0.826 119.193 120.200 -0.302 0.000 2.208 1026 E HA -0.267 4.088 4.350 0.009 0.000 0.202 1026 E C 1.868 178.203 176.600 -0.441 0.000 1.014 1026 E CA 1.720 57.809 56.400 -0.518 0.000 0.819 1026 E CB -0.622 28.923 29.700 -0.257 0.000 0.735 1026 E HN 0.501 nan 8.360 nan 0.000 0.469 1027 S N 1.129 116.648 115.700 -0.301 0.000 2.361 1027 S HA -0.143 4.333 4.470 0.009 0.000 0.214 1027 S C 1.890 176.409 174.600 -0.135 0.000 1.034 1027 S CA 1.060 59.141 58.200 -0.200 0.000 1.025 1027 S CB -0.551 62.407 63.200 -0.404 0.000 0.996 1027 S HN 0.436 nan 8.310 nan 0.000 0.422 1028 L N 1.762 122.839 121.223 -0.243 0.000 2.064 1028 L HA -0.172 4.173 4.340 0.009 0.000 0.216 1028 L C 1.963 178.752 176.870 -0.135 0.000 1.077 1028 L CA 1.827 56.508 54.840 -0.265 0.000 0.766 1028 L CB -0.535 41.286 42.059 -0.396 0.000 0.890 1028 L HN 0.357 nan 8.230 nan 0.000 0.435 1029 I N -1.349 119.081 120.570 -0.233 0.000 2.394 1029 I HA -0.278 3.897 4.170 0.009 0.000 0.251 1029 I C 1.993 178.069 176.117 -0.069 0.000 1.136 1029 I CA 1.504 62.675 61.300 -0.215 0.000 1.425 1029 I CB -0.217 37.519 38.000 -0.439 0.000 1.079 1029 I HN 0.266 nan 8.210 nan 0.000 0.425 1030 F N -0.004 119.989 119.950 0.071 0.000 2.270 1030 F HA -0.012 4.521 4.527 0.009 0.000 0.295 1030 F C 2.578 178.540 175.800 0.270 0.000 1.087 1030 F CA 0.508 58.618 58.000 0.185 0.000 1.365 1030 F CB -0.402 38.619 39.000 0.034 0.000 1.056 1030 F HN -0.033 nan 8.300 nan 0.000 0.506 1031 A N 0.770 123.825 122.820 0.391 0.000 1.851 1031 A HA -0.248 4.077 4.320 0.009 0.000 0.216 1031 A C 2.360 180.206 177.584 0.437 0.000 1.195 1031 A CA 2.441 54.717 52.037 0.398 0.000 0.622 1031 A CB -1.356 17.903 19.000 0.432 0.000 0.831 1031 A HN 0.404 nan 8.150 nan 0.000 0.444 1032 S N -0.070 116.025 115.700 0.659 0.000 2.377 1032 S HA -0.240 4.236 4.470 0.009 0.000 0.224 1032 S C 1.789 176.520 174.600 0.219 0.000 1.042 1032 S CA 1.820 60.291 58.200 0.451 0.000 1.086 1032 S CB -0.986 62.513 63.200 0.498 0.000 0.995 1032 S HN 0.267 nan 8.310 nan 0.000 0.428 1033 L N 2.268 123.666 121.223 0.293 0.000 2.064 1033 L HA -0.113 4.233 4.340 0.009 0.000 0.216 1033 L C 2.944 179.923 176.870 0.181 0.000 1.077 1033 L CA 1.784 56.805 54.840 0.302 0.000 0.766 1033 L CB -1.577 40.839 42.059 0.594 0.000 0.890 1033 L HN 0.553 nan 8.230 nan 0.000 0.435 1034 A N -1.320 121.614 122.820 0.190 0.000 1.840 1034 A HA -0.171 4.154 4.320 0.009 0.000 0.214 1034 A C 2.362 179.941 177.584 -0.007 0.000 1.198 1034 A CA 1.203 53.272 52.037 0.053 0.000 0.608 1034 A CB -0.516 18.539 19.000 0.091 0.000 0.839 1034 A HN 0.330 nan 8.150 nan 0.000 0.443 1035 R N -0.130 120.357 120.500 -0.023 0.000 2.244 1035 R HA -0.138 4.207 4.340 0.009 0.000 0.252 1035 R C 2.068 178.287 176.300 -0.134 0.000 1.177 1035 R CA 1.524 57.540 56.100 -0.140 0.000 1.004 1035 R CB -0.218 29.878 30.300 -0.339 0.000 0.873 1035 R HN 0.524 nan 8.270 nan 0.000 0.469 1036 S N -0.920 114.737 115.700 -0.072 0.000 2.475 1036 S HA 0.019 4.494 4.470 0.009 0.000 0.224 1036 S C 1.849 176.418 174.600 -0.051 0.000 1.042 1036 S CA 0.184 58.350 58.200 -0.056 0.000 0.935 1036 S CB 0.363 63.558 63.200 -0.009 0.000 0.801 1036 S HN 0.041 nan 8.310 nan 0.000 0.509 1037 V N 1.364 121.247 119.914 -0.051 0.000 2.255 1037 V HA -0.285 3.840 4.120 0.009 0.000 0.247 1037 V C 2.489 178.540 176.094 -0.071 0.000 1.051 1037 V CA 1.657 63.915 62.300 -0.071 0.000 1.018 1037 V CB -0.822 30.938 31.823 -0.104 0.000 0.641 1037 V HN 0.573 nan 8.190 nan 0.000 0.445 1038 C N -0.403 118.852 119.300 -0.074 0.000 2.353 1038 C HA -0.294 4.171 4.460 0.009 0.000 0.272 1038 C C 2.774 177.720 174.990 -0.075 0.000 1.165 1038 C CA 2.018 60.991 59.018 -0.075 0.000 1.786 1038 C CB -0.971 26.719 27.740 -0.084 0.000 2.071 1038 C HN 0.656 nan 8.230 nan 0.000 0.451 1039 E N -0.207 119.945 120.200 -0.081 0.000 2.077 1039 E HA -0.141 4.214 4.350 0.009 0.000 0.193 1039 E C 1.925 178.486 176.600 -0.065 0.000 0.989 1039 E CA 0.961 57.316 56.400 -0.076 0.000 0.800 1039 E CB -0.104 29.547 29.700 -0.081 0.000 0.746 1039 E HN 0.505 nan 8.360 nan 0.000 0.452 1040 I N 0.684 121.216 120.570 -0.062 0.000 2.761 1040 I HA -0.232 3.943 4.170 0.009 0.000 0.266 1040 I C 1.428 177.510 176.117 -0.057 0.000 1.239 1040 I CA 1.426 62.691 61.300 -0.059 0.000 1.451 1040 I CB -0.387 37.579 38.000 -0.056 0.000 1.096 1040 I HN 0.244 nan 8.210 nan 0.000 0.465 1041 L N -0.842 120.346 121.223 -0.058 0.000 3.016 1041 L HA 0.206 4.552 4.340 0.009 0.000 0.267 1041 L C 0.384 177.223 176.870 -0.052 0.000 1.182 1041 L CA -0.069 54.739 54.840 -0.054 0.000 0.997 1041 L CB 0.310 42.336 42.059 -0.056 0.000 1.354 1041 L HN 0.028 nan 8.230 nan 0.000 0.569 1042 D N 1.000 121.368 120.400 -0.054 0.000 3.041 1042 D HA -0.148 4.497 4.640 0.009 0.000 0.220 1042 D C -0.230 176.040 176.300 -0.051 0.000 1.157 1042 D CA 0.867 54.836 54.000 -0.051 0.000 0.876 1042 D CB -0.954 39.819 40.800 -0.046 0.000 1.107 1042 D HN 0.179 nan 8.370 nan 0.000 0.422 1043 L N -0.101 121.089 121.223 -0.055 0.000 2.387 1043 L HA 0.458 4.804 4.340 0.009 0.000 0.266 1043 L C 0.909 177.743 176.870 -0.059 0.000 1.059 1043 L CA -0.883 53.925 54.840 -0.054 0.000 0.801 1043 L CB 0.619 42.646 42.059 -0.054 0.000 1.223 1043 L HN -0.193 nan 8.230 nan 0.000 0.456 1044 D N -0.083 120.284 120.400 -0.055 0.000 2.371 1044 D HA 0.065 4.710 4.640 0.009 0.000 0.256 1044 D C 0.881 177.139 176.300 -0.070 0.000 1.193 1044 D CA 0.403 54.368 54.000 -0.059 0.000 0.881 1044 D CB 1.355 42.126 40.800 -0.049 0.000 1.143 1044 D HN 0.459 nan 8.370 nan 0.000 0.473 1045 S N 1.303 116.947 115.700 -0.092 0.000 2.419 1045 S HA -0.154 4.322 4.470 0.009 0.000 0.235 1045 S C 1.988 176.528 174.600 -0.100 0.000 1.019 1045 S CA 0.694 58.820 58.200 -0.123 0.000 0.982 1045 S CB 0.033 63.121 63.200 -0.187 0.000 0.789 1045 S HN 0.468 nan 8.310 nan 0.000 0.490 1046 S N 0.530 116.185 115.700 -0.075 0.000 2.469 1046 S HA -0.056 4.420 4.470 0.009 0.000 0.238 1046 S C 1.587 176.172 174.600 -0.024 0.000 0.998 1046 S CA 0.726 58.900 58.200 -0.044 0.000 0.957 1046 S CB -0.175 63.003 63.200 -0.037 0.000 0.764 1046 S HN 0.372 nan 8.310 nan 0.000 0.514 1047 E N 0.296 120.477 120.200 -0.031 0.000 2.442 1047 E HA 0.145 4.501 4.350 0.009 0.000 0.195 1047 E C 0.189 176.784 176.600 -0.008 0.000 1.030 1047 E CA 0.014 56.400 56.400 -0.022 0.000 0.869 1047 E CB 0.002 29.683 29.700 -0.032 0.000 0.857 1047 E HN 0.216 nan 8.360 nan 0.000 0.505 1048 V N 1.453 121.366 119.914 -0.002 0.000 2.389 1048 V HA 0.177 4.302 4.120 0.009 0.000 0.264 1048 V C -0.265 175.867 176.094 0.064 0.000 1.049 1048 V CA 0.361 62.678 62.300 0.029 0.000 0.932 1048 V CB 1.048 32.889 31.823 0.031 0.000 1.011 1048 V HN -0.023 nan 8.190 nan 0.000 0.475 1049 T N 5.180 119.775 114.554 0.067 0.000 2.876 1049 T HA 0.740 5.096 4.350 0.009 0.000 0.289 1049 T C -1.004 173.758 174.700 0.104 0.000 1.014 1049 T CA -0.303 61.850 62.100 0.089 0.000 0.986 1049 T CB 1.588 70.496 68.868 0.066 0.000 1.021 1049 T HN 0.487 nan 8.240 nan 0.000 0.458 1050 V N 3.516 123.507 119.914 0.129 0.000 3.181 1050 V HA 0.709 4.834 4.120 0.009 0.000 0.308 1050 V C -1.783 174.428 176.094 0.194 0.000 1.214 1050 V CA -0.806 61.579 62.300 0.141 0.000 1.053 1050 V CB 2.484 34.389 31.823 0.136 0.000 1.069 1050 V HN 0.916 nan 8.190 nan 0.000 0.441 1051 Y N 1.383 121.688 120.300 0.009 0.000 2.241 1051 Y HA 0.493 5.048 4.550 0.009 0.000 0.320 1051 Y C 0.147 176.061 175.900 0.024 0.000 1.206 1051 Y CA 0.725 58.826 58.100 0.001 0.000 1.370 1051 Y CB 0.767 39.278 38.460 0.084 0.000 1.257 1051 Y HN 1.330 nan 8.280 nan 0.000 0.403 1052 G N 4.243 112.903 108.800 -0.234 0.000 2.525 1052 G HA2 -0.310 3.656 3.960 0.009 0.000 0.248 1052 G HA3 -0.310 3.656 3.960 0.009 0.000 0.248 1052 G C -0.038 174.902 174.900 0.067 0.000 1.238 1052 G CA 0.300 45.401 45.100 0.002 0.000 0.926 1052 G HN 0.980 nan 8.290 nan 0.000 0.574 1053 D N 0.685 121.126 120.400 0.069 0.000 2.434 1053 D HA 0.231 4.876 4.640 0.009 0.000 0.232 1053 D C -0.026 176.228 176.300 -0.077 0.000 1.166 1053 D CA 0.223 54.140 54.000 -0.138 0.000 0.830 1053 D CB 0.313 41.005 40.800 -0.180 0.000 0.960 1053 D HN 0.297 nan 8.370 nan 0.000 0.497 1054 D N 0.958 121.388 120.400 0.050 0.000 2.454 1054 D HA 0.319 4.964 4.640 0.009 0.000 0.225 1054 D C -0.447 175.898 176.300 0.075 0.000 1.081 1054 D CA -0.448 53.600 54.000 0.080 0.000 0.864 1054 D CB 0.616 41.509 40.800 0.155 0.000 1.040 1054 D HN 0.160 nan 8.370 nan 0.000 0.517 1055 I N 3.112 123.702 120.570 0.032 0.000 2.460 1055 I HA 0.369 4.544 4.170 0.009 0.000 0.298 1055 I C -0.283 175.865 176.117 0.051 0.000 0.989 1055 I CA -0.937 60.396 61.300 0.055 0.000 1.173 1055 I CB 1.928 39.959 38.000 0.053 0.000 1.338 1055 I HN 0.156 nan 8.210 nan 0.000 0.456 1056 I N 6.847 127.449 120.570 0.054 0.000 2.439 1056 I HA 0.452 4.627 4.170 0.009 0.000 0.285 1056 I C -0.737 175.394 176.117 0.024 0.000 1.021 1056 I CA -0.270 61.048 61.300 0.030 0.000 1.091 1056 I CB 1.540 39.550 38.000 0.016 0.000 1.242 1056 I HN 0.337 nan 8.210 nan 0.000 0.439 1057 L N 6.216 127.444 121.223 0.008 0.000 2.434 1057 L HA 0.838 5.183 4.340 0.009 0.000 0.260 1057 L C -2.793 174.063 176.870 -0.024 0.000 0.983 1057 L CA -1.942 52.894 54.840 -0.007 0.000 0.820 1057 L CB 2.486 44.540 42.059 -0.008 0.000 1.361 1057 L HN 0.184 nan 8.230 nan 0.000 0.410 1058 P HA -0.022 nan 4.420 nan 0.000 0.263 1058 P C 0.328 177.603 177.300 -0.042 0.000 1.168 1058 P CA 0.258 63.334 63.100 -0.040 0.000 0.759 1058 P CB 0.836 32.510 31.700 -0.043 0.000 0.782 1059 S N 1.684 117.359 115.700 -0.042 0.000 2.419 1059 S HA -0.121 4.354 4.470 0.009 0.000 0.233 1059 S C 1.677 176.252 174.600 -0.042 0.000 1.016 1059 S CA 1.360 59.536 58.200 -0.039 0.000 0.974 1059 S CB -0.588 62.589 63.200 -0.039 0.000 0.786 1059 S HN 0.586 nan 8.310 nan 0.000 0.492 1060 C N 1.544 120.817 119.300 -0.044 0.000 2.457 1060 C HA 0.199 4.664 4.460 0.009 0.000 0.278 1060 C C 2.947 177.905 174.990 -0.053 0.000 1.309 1060 C CA -0.016 58.975 59.018 -0.046 0.000 1.735 1060 C CB -1.560 26.154 27.740 -0.044 0.000 1.992 1060 C HN 0.645 nan 8.230 nan 0.000 0.493 1061 A N 0.730 123.515 122.820 -0.057 0.000 2.076 1061 A HA -0.066 4.260 4.320 0.009 0.000 0.220 1061 A C 2.264 179.798 177.584 -0.083 0.000 1.160 1061 A CA 1.668 53.664 52.037 -0.070 0.000 0.653 1061 A CB -0.627 18.333 19.000 -0.068 0.000 0.801 1061 A HN 0.391 nan 8.150 nan 0.000 0.455 1062 V N 1.160 121.032 119.914 -0.071 0.000 2.295 1062 V HA -0.164 3.962 4.120 0.009 0.000 0.246 1062 V C 0.011 176.057 176.094 -0.080 0.000 1.049 1062 V CA 2.510 64.764 62.300 -0.075 0.000 1.024 1062 V CB -1.249 30.543 31.823 -0.051 0.000 0.648 1062 V HN 0.485 nan 8.190 nan 0.000 0.447 1063 P HA -0.130 nan 4.420 nan 0.000 0.220 1063 P C 1.498 178.759 177.300 -0.065 0.000 1.148 1063 P CA 2.015 65.082 63.100 -0.055 0.000 0.803 1063 P CB 0.010 31.684 31.700 -0.044 0.000 0.782 1064 A N 0.440 123.211 122.820 -0.082 0.000 1.840 1064 A HA -0.129 4.196 4.320 0.009 0.000 0.214 1064 A C 2.210 179.706 177.584 -0.147 0.000 1.198 1064 A CA 1.185 53.165 52.037 -0.095 0.000 0.608 1064 A CB -1.716 17.229 19.000 -0.093 0.000 0.839 1064 A HN 0.096 nan 8.150 nan 0.000 0.443 1065 L N -0.117 120.969 121.223 -0.228 0.000 2.283 1065 L HA -0.241 4.104 4.340 0.009 0.000 0.217 1065 L C 2.488 179.124 176.870 -0.389 0.000 1.104 1065 L CA 1.890 56.448 54.840 -0.469 0.000 0.772 1065 L CB -0.530 41.239 42.059 -0.483 0.000 0.899 1065 L HN 0.386 nan 8.230 nan 0.000 0.439 1066 R N -1.091 119.319 120.500 -0.150 0.000 2.055 1066 R HA -0.142 4.204 4.340 0.009 0.000 0.228 1066 R C 2.267 178.585 176.300 0.030 0.000 1.143 1066 R CA 1.447 57.535 56.100 -0.019 0.000 0.945 1066 R CB -0.349 29.946 30.300 -0.008 0.000 0.841 1066 R HN 0.401 nan 8.270 nan 0.000 0.429 1067 E N 0.406 120.605 120.200 -0.002 0.000 2.110 1067 E HA -0.166 4.190 4.350 0.009 0.000 0.193 1067 E C 1.818 178.454 176.600 0.060 0.000 0.988 1067 E CA 1.265 57.681 56.400 0.026 0.000 0.804 1067 E CB 0.192 29.888 29.700 -0.006 0.000 0.745 1067 E HN 0.131 nan 8.360 nan 0.000 0.458 1068 V N 0.810 120.730 119.914 0.010 0.000 2.427 1068 V HA -0.208 3.918 4.120 0.009 0.000 0.248 1068 V C 2.090 178.348 176.094 0.274 0.000 1.051 1068 V CA 1.342 63.681 62.300 0.065 0.000 1.048 1068 V CB -0.532 31.256 31.823 -0.057 0.000 0.666 1068 V HN 0.250 nan 8.190 nan 0.000 0.456 1069 F N 0.571 120.579 119.950 0.097 0.000 2.149 1069 F HA 0.022 4.554 4.527 0.009 0.000 0.294 1069 F C 2.343 178.142 175.800 -0.002 0.000 1.095 1069 F CA 1.163 59.213 58.000 0.082 0.000 1.276 1069 F CB -1.151 37.997 39.000 0.248 0.000 1.023 1069 F HN 0.093 nan 8.300 nan 0.000 0.480 1070 K N -0.372 120.172 120.400 0.240 0.000 2.127 1070 K HA -0.332 3.993 4.320 0.009 0.000 0.212 1070 K C 2.249 178.906 176.600 0.096 0.000 1.050 1070 K CA 2.269 58.638 56.287 0.135 0.000 0.929 1070 K CB -0.701 31.869 32.500 0.116 0.000 0.715 1070 K HN 0.348 nan 8.250 nan 0.000 0.457 1071 Y N 0.648 120.945 120.300 -0.004 0.000 2.130 1071 Y HA -0.173 4.382 4.550 0.009 0.000 0.287 1071 Y C 2.033 177.866 175.900 -0.111 0.000 1.124 1071 Y CA 1.722 59.800 58.100 -0.038 0.000 1.118 1071 Y CB -0.257 38.196 38.460 -0.011 0.000 0.994 1071 Y HN 0.001 nan 8.280 nan 0.000 0.497 1072 V N -0.689 119.114 119.914 -0.184 0.000 3.078 1072 V HA 0.182 4.307 4.120 0.009 0.000 0.265 1072 V C 1.280 177.027 176.094 -0.577 0.000 1.122 1072 V CA 1.949 63.988 62.300 -0.435 0.000 1.141 1072 V CB -0.508 31.112 31.823 -0.338 0.000 0.735 1072 V HN 0.801 nan 8.190 nan 0.000 0.498 1073 G N -0.458 108.039 108.800 -0.504 0.000 3.826 1073 G HA2 -0.072 3.893 3.960 0.009 0.000 0.194 1073 G HA3 -0.072 3.893 3.960 0.009 0.000 0.194 1073 G C -0.024 174.763 174.900 -0.187 0.000 2.087 1073 G CA -0.262 44.623 45.100 -0.358 0.000 1.230 1073 G HN 0.577 nan 8.290 nan 0.000 0.393 1074 F N 2.412 122.357 119.950 -0.008 0.000 2.623 1074 F HA 0.364 4.897 4.527 0.009 0.000 0.381 1074 F C 1.124 176.940 175.800 0.027 0.000 1.081 1074 F CA 0.983 58.973 58.000 -0.018 0.000 1.293 1074 F CB 0.436 39.362 39.000 -0.124 0.000 1.006 1074 F HN 0.145 nan 8.300 nan 0.000 0.578 1075 T N 2.516 117.192 114.554 0.204 0.000 2.770 1075 T HA 0.197 4.552 4.350 0.009 0.000 0.297 1075 T C -0.118 174.648 174.700 0.110 0.000 0.997 1075 T CA -0.594 61.582 62.100 0.127 0.000 0.949 1075 T CB 0.381 69.298 68.868 0.081 0.000 0.941 1075 T HN 0.798 nan 8.240 nan 0.000 0.457 1076 T N 3.780 118.406 114.554 0.120 0.000 2.910 1076 T HA 0.290 4.645 4.350 0.009 0.000 0.293 1076 T C 0.345 175.071 174.700 0.043 0.000 1.015 1076 T CA -0.600 61.558 62.100 0.097 0.000 1.094 1076 T CB 0.365 69.321 68.868 0.146 0.000 0.968 1076 T HN 0.699 nan 8.240 nan 0.000 0.521 1077 N N 3.188 121.896 118.700 0.013 0.000 2.663 1077 N HA 0.075 4.821 4.740 0.009 0.000 0.250 1077 N C 1.383 176.859 175.510 -0.057 0.000 1.129 1077 N CA -0.240 52.802 53.050 -0.014 0.000 0.995 1077 N CB 0.404 38.883 38.487 -0.014 0.000 1.324 1077 N HN 0.759 nan 8.380 nan 0.000 0.512 1078 T N 2.301 116.826 114.554 -0.048 0.000 2.803 1078 T HA -0.111 4.245 4.350 0.009 0.000 0.269 1078 T C 1.672 176.284 174.700 -0.148 0.000 1.052 1078 T CA 1.350 63.402 62.100 -0.080 0.000 1.136 1078 T CB 0.062 68.903 68.868 -0.044 0.000 0.864 1078 T HN 0.414 nan 8.240 nan 0.000 0.467 1079 K N 0.540 120.870 120.400 -0.118 0.000 2.103 1079 K HA 0.091 4.417 4.320 0.009 0.000 0.204 1079 K C 1.927 178.361 176.600 -0.277 0.000 1.052 1079 K CA 1.065 57.276 56.287 -0.127 0.000 0.945 1079 K CB -0.105 32.382 32.500 -0.021 0.000 0.722 1079 K HN 0.298 nan 8.250 nan 0.000 0.443 1080 K N 0.924 121.170 120.400 -0.257 0.000 2.373 1080 K HA 0.035 4.360 4.320 0.009 0.000 0.202 1080 K C -0.299 176.013 176.600 -0.480 0.000 1.025 1080 K CA -0.051 56.054 56.287 -0.303 0.000 1.115 1080 K CB 0.991 33.522 32.500 0.052 0.000 0.858 1080 K HN 0.127 nan 8.250 nan 0.000 0.525 1081 T N -0.968 113.288 114.554 -0.497 0.000 2.733 1081 T HA 0.445 4.801 4.350 0.009 0.000 0.294 1081 T C -0.340 174.072 174.700 -0.480 0.000 0.956 1081 T CA -0.633 61.266 62.100 -0.336 0.000 0.987 1081 T CB 0.118 68.897 68.868 -0.148 0.000 0.920 1081 T HN -0.128 nan 8.240 nan 0.000 0.470 1082 F N 2.615 122.575 119.950 0.016 0.000 2.402 1082 F HA 0.425 4.957 4.527 0.009 0.000 0.355 1082 F C 1.245 177.019 175.800 -0.044 0.000 1.123 1082 F CA -1.144 56.843 58.000 -0.023 0.000 1.021 1082 F CB 1.895 40.905 39.000 0.018 0.000 1.160 1082 F HN 0.755 nan 8.300 nan 0.000 0.451 1083 S N 0.234 115.982 115.700 0.079 0.000 2.593 1083 S HA 0.155 4.630 4.470 0.009 0.000 0.236 1083 S C 0.546 175.150 174.600 0.006 0.000 0.991 1083 S CA 0.261 58.475 58.200 0.024 0.000 0.963 1083 S CB -0.399 62.794 63.200 -0.011 0.000 0.865 1083 S HN 0.874 nan 8.310 nan 0.000 0.488 1084 E N -0.807 119.405 120.200 0.021 0.000 2.321 1084 E HA 0.173 4.528 4.350 0.009 0.000 0.158 1084 E C 0.764 177.340 176.600 -0.039 0.000 0.877 1084 E CA -0.212 56.176 56.400 -0.019 0.000 1.344 1084 E CB -0.854 28.833 29.700 -0.023 0.000 1.630 1084 E HN 0.290 nan 8.360 nan 0.000 0.669 1085 G N 2.304 111.089 108.800 -0.026 0.000 2.712 1085 G HA2 0.200 4.165 3.960 0.009 0.000 0.258 1085 G HA3 0.200 4.165 3.960 0.009 0.000 0.258 1085 G C -1.287 173.511 174.900 -0.171 0.000 1.241 1085 G CA -0.463 44.572 45.100 -0.109 0.000 0.923 1085 G HN 0.066 nan 8.290 nan 0.000 0.548 1086 P HA 0.075 nan 4.420 nan 0.000 0.247 1086 P C -0.443 176.525 177.300 -0.553 0.000 1.225 1086 P CA 0.501 63.325 63.100 -0.460 0.000 0.768 1086 P CB -0.007 31.237 31.700 -0.760 0.000 1.020 1087 F N 1.064 120.674 119.950 -0.567 0.000 2.539 1087 F HA 0.549 5.081 4.527 0.009 0.000 0.318 1087 F C -0.390 175.098 175.800 -0.519 0.000 1.135 1087 F CA -1.028 56.621 58.000 -0.584 0.000 0.915 1087 F CB 1.480 40.127 39.000 -0.590 0.000 1.176 1087 F HN -0.409 nan 8.300 nan 0.000 0.440 1088 R N 3.267 123.181 120.500 -0.976 0.000 2.740 1088 R HA 0.469 4.814 4.340 0.009 0.000 0.282 1088 R C -1.236 174.545 176.300 -0.865 0.000 0.969 1088 R CA -1.072 54.628 56.100 -0.667 0.000 0.918 1088 R CB 1.643 31.761 30.300 -0.302 0.000 1.175 1088 R HN 0.753 nan 8.270 nan 0.000 0.464 1089 E N -0.641 119.374 120.200 -0.307 0.000 2.234 1089 E HA 0.634 4.989 4.350 0.009 0.000 0.266 1089 E C -1.180 175.400 176.600 -0.034 0.000 0.877 1089 E CA -0.705 55.602 56.400 -0.157 0.000 0.758 1089 E CB 2.160 31.921 29.700 0.102 0.000 1.170 1089 E HN 0.305 nan 8.360 nan 0.000 0.415 1090 S N 2.613 118.279 115.700 -0.058 0.000 2.605 1090 S HA 0.337 4.812 4.470 0.009 0.000 0.279 1090 S C -0.782 173.812 174.600 -0.009 0.000 1.166 1090 S CA -0.425 57.771 58.200 -0.007 0.000 0.975 1090 S CB 0.458 63.662 63.200 0.007 0.000 1.111 1090 S HN 0.979 nan 8.310 nan 0.000 0.465 1091 C N 3.714 123.011 119.300 -0.006 0.000 4.424 1091 C HA -0.052 4.414 4.460 0.009 0.000 0.304 1091 C C 1.765 176.763 174.990 0.013 0.000 1.344 1091 C CA 1.188 60.192 59.018 -0.024 0.000 2.033 1091 C CB -2.279 25.386 27.740 -0.125 0.000 1.264 1091 C HN 2.170 nan 8.230 nan 0.000 0.750 1092 G N -0.721 108.100 108.800 0.035 0.000 2.267 1092 G HA2 -0.263 3.702 3.960 0.009 0.000 0.257 1092 G HA3 -0.263 3.702 3.960 0.009 0.000 0.257 1092 G C 0.031 175.047 174.900 0.194 0.000 0.998 1092 G CA 0.812 45.995 45.100 0.139 0.000 0.620 1092 G HN 0.575 nan 8.290 nan 0.000 0.529 1093 K N 1.572 122.039 120.400 0.112 0.000 2.234 1093 K HA 0.677 5.002 4.320 0.009 0.000 0.282 1093 K C 0.066 176.701 176.600 0.057 0.000 1.039 1093 K CA -0.399 55.967 56.287 0.131 0.000 0.928 1093 K CB 0.677 33.316 32.500 0.233 0.000 1.039 1093 K HN 0.567 nan 8.250 nan 0.000 0.470 1094 H N 0.789 119.858 119.070 -0.001 0.000 2.595 1094 H HA 0.558 5.119 4.556 0.009 0.000 0.346 1094 H C -0.881 174.259 175.328 -0.312 0.000 1.181 1094 H CA -0.365 55.681 56.048 -0.003 0.000 1.242 1094 H CB 0.880 30.857 29.762 0.359 0.000 1.652 1094 H HN 0.436 nan 8.280 nan 0.000 0.548 1095 Y N -0.344 119.760 120.300 -0.326 0.000 2.513 1095 Y HA 0.255 4.810 4.550 0.009 0.000 0.340 1095 Y C -1.398 174.350 175.900 -0.253 0.000 1.055 1095 Y CA -0.827 57.160 58.100 -0.189 0.000 1.020 1095 Y CB 1.768 40.136 38.460 -0.154 0.000 1.301 1095 Y HN 0.587 nan 8.280 nan 0.000 0.453 1096 Y N 1.829 122.162 120.300 0.055 0.000 2.388 1096 Y HA 0.333 4.888 4.550 0.009 0.000 0.328 1096 Y C 0.528 176.425 175.900 -0.004 0.000 0.963 1096 Y CA -0.558 57.527 58.100 -0.024 0.000 1.240 1096 Y CB 1.279 39.672 38.460 -0.111 0.000 1.118 1096 Y HN 0.765 nan 8.280 nan 0.000 0.484 1097 S N 3.557 119.169 115.700 -0.146 0.000 3.462 1097 S HA -0.274 4.202 4.470 0.009 0.000 0.370 1097 S C 1.195 175.818 174.600 0.039 0.000 1.028 1097 S CA 1.409 59.575 58.200 -0.057 0.000 1.119 1097 S CB -1.661 61.571 63.200 0.052 0.000 0.906 1097 S HN 1.682 nan 8.310 nan 0.000 0.471 1098 G N -1.927 106.925 108.800 0.085 0.000 2.194 1098 G HA2 -0.212 3.754 3.960 0.009 0.000 0.236 1098 G HA3 -0.212 3.754 3.960 0.009 0.000 0.236 1098 G C 0.214 175.337 174.900 0.372 0.000 0.987 1098 G CA 0.199 45.413 45.100 0.189 0.000 0.635 1098 G HN 1.853 nan 8.290 nan 0.000 0.520 1099 V N -1.470 118.618 119.914 0.291 0.000 2.973 1099 V HA 0.773 4.898 4.120 0.009 0.000 0.314 1099 V C 0.268 176.466 176.094 0.174 0.000 1.066 1099 V CA -0.819 61.606 62.300 0.208 0.000 1.021 1099 V CB 1.959 33.846 31.823 0.107 0.000 1.076 1099 V HN 0.197 nan 8.190 nan 0.000 0.462 1100 D N 1.549 121.932 120.400 -0.027 0.000 2.317 1100 D HA 0.271 4.916 4.640 0.009 0.000 0.252 1100 D C 0.393 176.614 176.300 -0.132 0.000 1.174 1100 D CA 0.064 53.888 54.000 -0.294 0.000 0.866 1100 D CB 1.725 42.354 40.800 -0.285 0.000 1.127 1100 D HN 0.854 nan 8.370 nan 0.000 0.467 1101 V N 1.533 121.431 119.914 -0.027 0.000 2.988 1101 V HA 0.246 4.371 4.120 0.009 0.000 0.356 1101 V C 0.691 176.997 176.094 0.354 0.000 1.380 1101 V CA -0.080 62.343 62.300 0.205 0.000 1.184 1101 V CB -0.472 31.605 31.823 0.423 0.000 1.204 1101 V HN 0.589 nan 8.190 nan 0.000 0.530 1102 T N 1.453 116.134 114.554 0.212 0.000 2.940 1102 T HA 0.385 4.740 4.350 0.009 0.000 0.309 1102 T C -1.467 173.445 174.700 0.352 0.000 1.056 1102 T CA -0.260 62.000 62.100 0.266 0.000 1.137 1102 T CB 1.215 70.246 68.868 0.272 0.000 0.976 1102 T HN 0.532 nan 8.240 nan 0.000 0.547 1103 P HA 0.544 nan 4.420 nan 0.000 0.332 1103 P C -0.834 176.481 177.300 0.026 0.000 1.298 1103 P CA -0.774 62.324 63.100 -0.005 0.000 0.755 1103 P CB 0.635 31.955 31.700 -0.633 0.000 1.465 1104 F N -3.157 116.501 119.950 -0.487 0.000 2.613 1104 F HA 0.716 5.248 4.527 0.009 0.000 0.314 1104 F C -1.379 174.095 175.800 -0.545 0.000 1.075 1104 F CA -1.335 56.461 58.000 -0.341 0.000 0.945 1104 F CB 1.028 39.946 39.000 -0.138 0.000 1.310 1104 F HN 0.109 nan 8.300 nan 0.000 0.467 1105 Y N 1.674 121.913 120.300 -0.101 0.000 2.446 1105 Y HA 0.574 5.130 4.550 0.009 0.000 0.345 1105 Y C -0.077 175.744 175.900 -0.133 0.000 0.984 1105 Y CA -1.241 56.739 58.100 -0.201 0.000 1.058 1105 Y CB 2.087 40.487 38.460 -0.099 0.000 1.220 1105 Y HN 0.464 nan 8.280 nan 0.000 0.455 1106 I N 4.197 124.746 120.570 -0.034 0.000 2.276 1106 I HA 0.261 4.436 4.170 0.009 0.000 0.290 1106 I C 0.839 176.983 176.117 0.046 0.000 1.109 1106 I CA 0.027 61.315 61.300 -0.021 0.000 1.229 1106 I CB 0.785 38.696 38.000 -0.149 0.000 1.452 1106 I HN 0.777 nan 8.210 nan 0.000 0.497 1107 R N 2.881 123.357 120.500 -0.041 0.000 2.080 1107 R HA 0.065 4.410 4.340 0.009 0.000 0.222 1107 R C 0.267 176.385 176.300 -0.303 0.000 1.107 1107 R CA 0.781 56.735 56.100 -0.245 0.000 0.980 1107 R CB 0.203 30.191 30.300 -0.519 0.000 0.879 1107 R HN 0.548 nan 8.270 nan 0.000 0.439 1108 H N -0.281 118.842 119.070 0.089 0.000 2.670 1108 H HA 0.243 4.805 4.556 0.009 0.000 0.361 1108 H C -0.565 174.830 175.328 0.113 0.000 1.169 1108 H CA -0.999 55.048 56.048 -0.002 0.000 1.198 1108 H CB 1.164 30.925 29.762 -0.001 0.000 1.700 1108 H HN -0.081 nan 8.280 nan 0.000 0.542 1109 R N 1.850 122.414 120.500 0.106 0.000 2.458 1109 R HA 0.101 4.447 4.340 0.009 0.000 0.303 1109 R C -0.139 176.259 176.300 0.163 0.000 1.013 1109 R CA -0.137 56.074 56.100 0.186 0.000 1.026 1109 R CB -0.213 30.095 30.300 0.013 0.000 0.948 1109 R HN 0.582 nan 8.270 nan 0.000 0.417 1110 I N 6.397 127.064 120.570 0.161 0.000 2.325 1110 I HA 0.091 4.266 4.170 0.009 0.000 0.291 1110 I C 0.386 176.550 176.117 0.078 0.000 1.019 1110 I CA -0.213 61.154 61.300 0.111 0.000 1.302 1110 I CB 1.106 39.159 38.000 0.087 0.000 1.401 1110 I HN 0.705 nan 8.210 nan 0.000 0.485 1111 V N 2.123 122.079 119.914 0.070 0.000 3.264 1111 V HA 0.281 4.406 4.120 0.009 0.000 0.262 1111 V C 0.461 176.580 176.094 0.041 0.000 1.616 1111 V CA 0.283 62.614 62.300 0.053 0.000 1.033 1111 V CB -0.195 31.660 31.823 0.053 0.000 0.865 1111 V HN 0.666 nan 8.190 nan 0.000 0.420 1112 S N 0.995 116.723 115.700 0.047 0.000 2.654 1112 S HA 0.623 5.099 4.470 0.009 0.000 0.283 1112 S C -1.705 172.836 174.600 -0.098 0.000 1.180 1112 S CA -0.958 57.230 58.200 -0.021 0.000 1.021 1112 S CB 1.771 65.003 63.200 0.054 0.000 1.018 1112 S HN 0.130 nan 8.310 nan 0.000 0.532 1113 P HA 0.057 nan 4.420 nan 0.000 0.217 1113 P C 1.315 178.500 177.300 -0.192 0.000 1.151 1113 P CA 1.482 64.467 63.100 -0.192 0.000 0.828 1113 P CB -0.102 31.457 31.700 -0.234 0.000 0.788 1114 A N -0.007 122.621 122.820 -0.319 0.000 1.948 1114 A HA -0.256 4.069 4.320 0.009 0.000 0.220 1114 A C 1.865 179.443 177.584 -0.010 0.000 1.177 1114 A CA 2.294 54.241 52.037 -0.150 0.000 0.636 1114 A CB -1.499 17.442 19.000 -0.099 0.000 0.815 1114 A HN 0.114 nan 8.150 nan 0.000 0.449 1115 D N -0.227 120.179 120.400 0.010 0.000 2.084 1115 D HA -0.112 4.533 4.640 0.009 0.000 0.194 1115 D C 1.941 178.274 176.300 0.055 0.000 0.990 1115 D CA 0.909 54.950 54.000 0.069 0.000 0.826 1115 D CB -0.355 40.495 40.800 0.084 0.000 0.971 1115 D HN 0.357 nan 8.370 nan 0.000 0.453 1116 L N 0.588 121.826 121.223 0.024 0.000 2.005 1116 L HA -0.118 4.228 4.340 0.009 0.000 0.207 1116 L C 2.385 179.275 176.870 0.035 0.000 1.072 1116 L CA 0.887 55.746 54.840 0.032 0.000 0.744 1116 L CB -0.312 41.758 42.059 0.017 0.000 0.895 1116 L HN 0.099 nan 8.230 nan 0.000 0.433 1117 I N -0.102 120.472 120.570 0.006 0.000 2.229 1117 I HA -0.388 3.787 4.170 0.009 0.000 0.250 1117 I C 2.492 178.640 176.117 0.051 0.000 1.096 1117 I CA 1.378 62.687 61.300 0.014 0.000 1.358 1117 I CB -0.336 37.653 38.000 -0.019 0.000 1.047 1117 I HN 0.350 nan 8.210 nan 0.000 0.422 1118 L N 0.703 121.963 121.223 0.061 0.000 1.938 1118 L HA -0.141 4.205 4.340 0.009 0.000 0.212 1118 L C 2.446 179.377 176.870 0.101 0.000 1.085 1118 L CA 1.780 56.671 54.840 0.085 0.000 0.760 1118 L CB -0.979 41.140 42.059 0.100 0.000 0.888 1118 L HN -0.058 nan 8.230 nan 0.000 0.433 1119 V N 0.501 120.483 119.914 0.115 0.000 2.242 1119 V HA -0.433 3.692 4.120 0.009 0.000 0.257 1119 V C 2.715 178.888 176.094 0.132 0.000 1.073 1119 V CA 2.645 65.031 62.300 0.145 0.000 1.058 1119 V CB -1.026 30.874 31.823 0.128 0.000 0.664 1119 V HN 0.589 nan 8.190 nan 0.000 0.451 1120 L N -0.415 120.900 121.223 0.153 0.000 2.089 1120 L HA -0.278 4.067 4.340 0.009 0.000 0.213 1120 L C 2.284 179.357 176.870 0.338 0.000 1.079 1120 L CA 2.316 57.321 54.840 0.275 0.000 0.758 1120 L CB -0.912 41.262 42.059 0.192 0.000 0.891 1120 L HN 0.517 nan 8.230 nan 0.000 0.433 1121 N N -0.047 118.769 118.700 0.195 0.000 2.188 1121 N HA -0.148 4.598 4.740 0.009 0.000 0.184 1121 N C 1.462 177.023 175.510 0.085 0.000 1.018 1121 N CA 1.177 54.318 53.050 0.153 0.000 0.858 1121 N CB -0.058 38.479 38.487 0.082 0.000 0.989 1121 N HN 0.470 nan 8.380 nan 0.000 0.426 1122 N N 0.462 119.132 118.700 -0.049 0.000 2.409 1122 N HA -0.055 4.690 4.740 0.009 0.000 0.179 1122 N C 1.472 176.523 175.510 -0.766 0.000 1.032 1122 N CA 0.105 52.988 53.050 -0.279 0.000 0.898 1122 N CB 0.122 38.501 38.487 -0.180 0.000 0.971 1122 N HN 0.089 nan 8.380 nan 0.000 0.441 1123 L N 0.138 120.991 121.223 -0.616 0.000 2.217 1123 L HA -0.065 4.281 4.340 0.009 0.000 0.211 1123 L C 1.825 178.624 176.870 -0.119 0.000 1.107 1123 L CA 1.275 55.859 54.840 -0.427 0.000 0.783 1123 L CB -0.528 41.573 42.059 0.070 0.000 0.919 1123 L HN 0.189 nan 8.230 nan 0.000 0.442 1124 Y N 0.062 120.251 120.300 -0.185 0.000 2.184 1124 Y HA -0.212 4.344 4.550 0.009 0.000 0.290 1124 Y C 2.578 178.196 175.900 -0.470 0.000 1.129 1124 Y CA 1.641 59.493 58.100 -0.413 0.000 1.144 1124 Y CB -0.017 38.345 38.460 -0.163 0.000 0.995 1124 Y HN 0.068 nan 8.280 nan 0.000 0.513 1125 R N -1.079 119.315 120.500 -0.176 0.000 2.092 1125 R HA -0.192 4.154 4.340 0.009 0.000 0.231 1125 R C 1.922 178.073 176.300 -0.247 0.000 1.119 1125 R CA 1.711 57.682 56.100 -0.215 0.000 0.970 1125 R CB -0.961 29.319 30.300 -0.034 0.000 0.864 1125 R HN 0.554 nan 8.270 nan 0.000 0.440 1126 W N 0.316 121.384 121.300 -0.387 0.000 2.468 1126 W HA -0.074 4.592 4.660 0.009 0.000 0.262 1126 W C 1.075 177.431 176.519 -0.272 0.000 1.241 1126 W CA 1.364 58.538 57.345 -0.285 0.000 1.232 1126 W CB 0.281 29.568 29.460 -0.287 0.000 1.124 1126 W HN 0.091 nan 8.180 nan 0.000 0.597 1127 A N -1.133 121.501 122.820 -0.310 0.000 2.653 1127 A HA 0.295 4.620 4.320 0.009 0.000 0.248 1127 A C 0.324 177.536 177.584 -0.621 0.000 1.211 1127 A CA -0.062 51.753 52.037 -0.369 0.000 0.991 1127 A CB -0.176 18.826 19.000 0.003 0.000 1.252 1127 A HN -0.069 nan 8.150 nan 0.000 0.593 1128 T N 0.476 114.541 114.554 -0.816 0.000 2.909 1128 T HA 0.504 4.859 4.350 0.009 0.000 0.286 1128 T C -0.423 173.997 174.700 -0.465 0.000 1.002 1128 T CA 0.353 61.969 62.100 -0.807 0.000 1.074 1128 T CB 0.669 68.876 68.868 -1.102 0.000 0.984 1128 T HN 0.080 nan 8.240 nan 0.000 0.495 1129 I N 3.899 124.273 120.570 -0.326 0.000 2.692 1129 I HA 0.261 4.436 4.170 0.009 0.000 0.285 1129 I C -0.061 175.968 176.117 -0.146 0.000 1.191 1129 I CA 0.013 61.191 61.300 -0.203 0.000 1.128 1129 I CB 0.049 37.969 38.000 -0.134 0.000 1.585 1129 I HN 0.611 nan 8.210 nan 0.000 0.558 1130 D N 4.162 124.462 120.400 -0.166 0.000 3.585 1130 D HA -0.138 4.507 4.640 0.009 0.000 0.251 1130 D C 1.160 177.415 176.300 -0.075 0.000 1.065 1130 D CA 1.131 55.077 54.000 -0.091 0.000 1.048 1130 D CB -0.810 39.973 40.800 -0.028 0.000 0.952 1130 D HN 0.906 nan 8.370 nan 0.000 0.421 1131 G N 0.085 108.811 108.800 -0.122 0.000 2.228 1131 G HA2 -0.290 3.675 3.960 0.009 0.000 0.270 1131 G HA3 -0.290 3.675 3.960 0.009 0.000 0.270 1131 G C 0.463 175.335 174.900 -0.046 0.000 0.976 1131 G CA 0.569 45.655 45.100 -0.024 0.000 0.636 1131 G HN 1.087 nan 8.290 nan 0.000 0.542 1132 V N 0.673 120.509 119.914 -0.131 0.000 2.357 1132 V HA 0.571 4.696 4.120 0.009 0.000 0.284 1132 V C 0.378 176.400 176.094 -0.119 0.000 1.018 1132 V CA -1.050 61.233 62.300 -0.030 0.000 0.841 1132 V CB 0.929 32.760 31.823 0.014 0.000 0.991 1132 V HN 0.309 nan 8.190 nan 0.000 0.437 1133 W N 2.674 123.921 121.300 -0.087 0.000 2.112 1133 W HA 0.226 4.891 4.660 0.009 0.000 0.349 1133 W C 0.689 177.196 176.519 -0.021 0.000 1.289 1133 W CA 0.195 57.472 57.345 -0.114 0.000 1.256 1133 W CB 0.354 29.738 29.460 -0.125 0.000 1.148 1133 W HN 0.490 nan 8.180 nan 0.000 0.590 1134 D N 3.110 123.643 120.400 0.221 0.000 2.280 1134 D HA 0.154 4.800 4.640 0.009 0.000 0.243 1134 D C -1.592 174.904 176.300 0.328 0.000 1.129 1134 D CA -2.130 51.998 54.000 0.214 0.000 0.848 1134 D CB 1.673 42.577 40.800 0.173 0.000 1.107 1134 D HN -0.085 nan 8.370 nan 0.000 0.471 1135 P HA -0.189 nan 4.420 nan 0.000 0.216 1135 P C 1.291 178.642 177.300 0.085 0.000 1.167 1135 P CA 1.476 64.667 63.100 0.152 0.000 0.914 1135 P CB 0.170 31.906 31.700 0.060 0.000 0.793 1136 R N -1.076 119.372 120.500 -0.087 0.000 2.174 1136 R HA -0.198 4.147 4.340 0.009 0.000 0.253 1136 R C 2.074 178.318 176.300 -0.092 0.000 1.165 1136 R CA 1.886 57.789 56.100 -0.328 0.000 0.984 1136 R CB -0.755 28.887 30.300 -1.096 0.000 0.873 1136 R HN 0.234 nan 8.270 nan 0.000 0.456 1137 A N -0.954 121.996 122.820 0.217 0.000 1.993 1137 A HA -0.041 4.284 4.320 0.009 0.000 0.207 1137 A C 1.663 179.513 177.584 0.443 0.000 1.224 1137 A CA 0.265 52.600 52.037 0.496 0.000 0.749 1137 A CB -0.335 19.133 19.000 0.781 0.000 0.884 1137 A HN 0.247 nan 8.150 nan 0.000 0.467 1138 H N 1.750 120.987 119.070 0.279 0.000 2.518 1138 H HA -0.128 4.433 4.556 0.009 0.000 0.294 1138 H C 2.230 177.438 175.328 -0.200 0.000 1.083 1138 H CA 1.511 57.330 56.048 -0.383 0.000 1.264 1138 H CB -0.121 29.447 29.762 -0.323 0.000 1.370 1138 H HN 0.562 nan 8.280 nan 0.000 0.560 1139 S N -1.171 114.582 115.700 0.088 0.000 2.335 1139 S HA -0.087 4.388 4.470 0.009 0.000 0.217 1139 S C 2.333 177.003 174.600 0.117 0.000 1.032 1139 S CA 1.291 59.514 58.200 0.037 0.000 0.985 1139 S CB -0.817 62.397 63.200 0.024 0.000 0.896 1139 S HN 0.125 nan 8.310 nan 0.000 0.445 1140 V N 1.142 121.175 119.914 0.199 0.000 2.407 1140 V HA -0.116 4.010 4.120 0.009 0.000 0.248 1140 V C 2.306 178.598 176.094 0.330 0.000 1.055 1140 V CA 1.993 64.461 62.300 0.280 0.000 1.049 1140 V CB -1.420 30.563 31.823 0.266 0.000 0.662 1140 V HN 0.612 nan 8.190 nan 0.000 0.455 1141 Y N 0.807 121.194 120.300 0.146 0.000 2.030 1141 Y HA -0.278 4.277 4.550 0.009 0.000 0.274 1141 Y C 2.355 178.298 175.900 0.072 0.000 1.153 1141 Y CA 1.878 60.037 58.100 0.098 0.000 1.115 1141 Y CB -0.486 37.881 38.460 -0.155 0.000 0.969 1141 Y HN 0.075 nan 8.280 nan 0.000 0.488 1142 L N 0.591 121.878 121.223 0.106 0.000 1.997 1142 L HA -0.359 3.986 4.340 0.009 0.000 0.216 1142 L C 2.650 179.458 176.870 -0.104 0.000 1.074 1142 L CA 2.436 57.245 54.840 -0.052 0.000 0.763 1142 L CB -0.867 41.178 42.059 -0.023 0.000 0.890 1142 L HN 0.361 nan 8.230 nan 0.000 0.434 1143 K N -0.179 120.199 120.400 -0.037 0.000 2.000 1143 K HA -0.270 4.056 4.320 0.009 0.000 0.218 1143 K C 2.076 178.577 176.600 -0.165 0.000 1.053 1143 K CA 2.249 58.473 56.287 -0.106 0.000 0.946 1143 K CB -0.561 31.886 32.500 -0.088 0.000 0.723 1143 K HN 0.141 nan 8.250 nan 0.000 0.446 1144 Y N 0.615 120.866 120.300 -0.080 0.000 2.497 1144 Y HA -0.007 4.548 4.550 0.009 0.000 0.292 1144 Y C 2.340 178.157 175.900 -0.139 0.000 1.137 1144 Y CA 0.845 58.897 58.100 -0.081 0.000 1.285 1144 Y CB -0.046 38.392 38.460 -0.037 0.000 0.991 1144 Y HN 0.145 nan 8.280 nan 0.000 0.556 1145 R N 1.133 121.556 120.500 -0.128 0.000 2.285 1145 R HA -0.106 4.239 4.340 0.009 0.000 0.213 1145 R C 0.915 177.140 176.300 -0.124 0.000 1.068 1145 R CA 0.910 56.882 56.100 -0.214 0.000 1.004 1145 R CB -0.021 30.031 30.300 -0.414 0.000 0.873 1145 R HN 0.328 nan 8.270 nan 0.000 0.467 1146 K N 0.051 120.385 120.400 -0.110 0.000 2.404 1146 K HA 0.111 4.436 4.320 0.009 0.000 0.194 1146 K C 1.336 177.890 176.600 -0.077 0.000 1.023 1146 K CA -0.209 56.023 56.287 -0.091 0.000 1.094 1146 K CB 0.419 32.858 32.500 -0.102 0.000 0.841 1146 K HN 0.089 nan 8.250 nan 0.000 0.523 1147 L N 0.999 122.184 121.223 -0.063 0.000 2.341 1147 L HA 0.090 4.435 4.340 0.009 0.000 0.214 1147 L C 0.847 177.697 176.870 -0.033 0.000 1.115 1147 L CA 0.794 55.611 54.840 -0.039 0.000 0.820 1147 L CB -0.373 41.688 42.059 0.002 0.000 0.944 1147 L HN 0.213 nan 8.230 nan 0.000 0.452 1148 L N 0.915 122.114 121.223 -0.040 0.000 2.483 1148 L HA 0.084 4.430 4.340 0.009 0.000 0.275 1148 L C -1.779 175.067 176.870 -0.040 0.000 1.220 1148 L CA -1.566 53.247 54.840 -0.045 0.000 0.833 1148 L CB -0.430 41.599 42.059 -0.052 0.000 1.102 1148 L HN -0.104 nan 8.230 nan 0.000 0.490 1149 P HA -0.037 nan 4.420 nan 0.000 0.263 1149 P C -0.071 177.219 177.300 -0.016 0.000 1.175 1149 P CA 0.084 63.164 63.100 -0.033 0.000 0.761 1149 P CB 0.536 32.207 31.700 -0.049 0.000 0.794 1150 K N 2.650 123.052 120.400 0.003 0.000 1.987 1150 K HA -0.224 4.101 4.320 0.009 0.000 0.216 1150 K C 1.882 178.525 176.600 0.073 0.000 1.051 1150 K CA 1.976 58.280 56.287 0.028 0.000 0.942 1150 K CB -0.995 31.523 32.500 0.030 0.000 0.722 1150 K HN 0.429 nan 8.250 nan 0.000 0.444 1151 Q N -0.085 119.785 119.800 0.118 0.000 2.344 1151 Q HA -0.143 4.203 4.340 0.009 0.000 0.212 1151 Q C 1.427 177.504 176.000 0.128 0.000 0.991 1151 Q CA 1.031 57.005 55.803 0.286 0.000 0.897 1151 Q CB -0.178 28.689 28.738 0.214 0.000 0.915 1151 Q HN 0.083 nan 8.270 nan 0.000 0.438 1152 L N -0.260 120.963 121.223 0.000 0.000 2.509 1152 L HA 0.008 4.354 4.340 0.009 0.000 0.222 1152 L C 1.511 178.374 176.870 -0.012 0.000 1.123 1152 L CA 1.279 56.080 54.840 -0.065 0.000 0.856 1152 L CB -0.182 41.819 42.059 -0.095 0.000 0.985 1152 L HN 0.228 nan 8.230 nan 0.000 0.456 1153 Q N -1.345 118.472 119.800 0.029 0.000 2.398 1153 Q HA 0.020 4.365 4.340 0.009 0.000 0.204 1153 Q C 1.852 177.896 176.000 0.073 0.000 0.932 1153 Q CA 0.397 56.215 55.803 0.024 0.000 0.916 1153 Q CB 0.314 29.053 28.738 0.003 0.000 1.024 1153 Q HN 0.319 nan 8.270 nan 0.000 0.504 1154 R N 0.672 121.257 120.500 0.143 0.000 2.308 1154 R HA 0.107 4.452 4.340 0.009 0.000 0.202 1154 R C 0.288 176.743 176.300 0.258 0.000 0.898 1154 R CA -0.119 56.088 56.100 0.180 0.000 1.046 1154 R CB 0.453 30.845 30.300 0.154 0.000 1.026 1154 R HN 0.104 nan 8.270 nan 0.000 0.512 1155 N N 1.415 120.268 118.700 0.255 0.000 2.402 1155 N HA -0.006 4.739 4.740 0.009 0.000 0.252 1155 N C -1.318 174.219 175.510 0.045 0.000 1.118 1155 N CA 0.324 53.458 53.050 0.141 0.000 0.945 1155 N CB 0.676 39.051 38.487 -0.186 0.000 1.147 1155 N HN 0.044 nan 8.380 nan 0.000 0.495 1156 T N 1.441 116.030 114.554 0.059 0.000 2.900 1156 T HA 0.580 4.935 4.350 0.009 0.000 0.295 1156 T C 0.047 174.739 174.700 -0.013 0.000 1.044 1156 T CA -0.879 61.231 62.100 0.017 0.000 0.995 1156 T CB 1.403 70.290 68.868 0.033 0.000 1.072 1156 T HN 0.372 nan 8.240 nan 0.000 0.473 1157 I N -0.918 119.627 120.570 -0.042 0.000 2.846 1157 I HA 0.673 4.848 4.170 0.009 0.000 0.307 1157 I C -2.825 173.256 176.117 -0.060 0.000 1.053 1157 I CA -3.346 57.911 61.300 -0.072 0.000 1.050 1157 I CB 1.524 39.490 38.000 -0.055 0.000 1.239 1157 I HN 0.324 nan 8.210 nan 0.000 0.439 1158 P HA -0.059 nan 4.420 nan 0.000 0.295 1158 P C -1.004 176.354 177.300 0.096 0.000 1.300 1158 P CA 0.247 63.358 63.100 0.017 0.000 0.801 1158 P CB 0.277 31.987 31.700 0.016 0.000 1.420 1159 D N -2.353 118.148 120.400 0.167 0.000 2.269 1159 D HA 0.414 5.060 4.640 0.009 0.000 0.244 1159 D C 0.161 176.555 176.300 0.157 0.000 0.992 1159 D CA 0.019 54.106 54.000 0.144 0.000 0.894 1159 D CB 0.580 41.460 40.800 0.133 0.000 1.248 1159 D HN 0.574 nan 8.370 nan 0.000 0.468 1160 G N 1.964 110.815 108.800 0.084 0.000 2.333 1160 G HA2 -0.293 3.673 3.960 0.009 0.000 0.296 1160 G HA3 -0.293 3.673 3.960 0.009 0.000 0.296 1160 G C 0.065 174.898 174.900 -0.112 0.000 1.059 1160 G CA 0.541 45.631 45.100 -0.015 0.000 1.050 1160 G HN 0.483 nan 8.290 nan 0.000 0.508 1161 Y N -0.862 119.438 120.300 0.000 0.000 2.610 1161 Y HA 0.468 5.023 4.550 0.009 0.000 0.254 1161 Y C 1.486 177.388 175.900 0.004 0.000 1.110 1161 Y CA 0.826 58.925 58.100 -0.002 0.000 1.238 1161 Y CB 1.276 39.729 38.460 -0.012 0.000 1.322 1161 Y HN 1.029 nan 8.280 nan 0.000 0.547 1162 G N -0.432 108.444 108.800 0.128 0.000 2.356 1162 G HA2 0.117 4.083 3.960 0.009 0.000 0.266 1162 G HA3 0.117 4.083 3.960 0.009 0.000 0.266 1162 G C -1.374 173.568 174.900 0.070 0.000 1.312 1162 G CA -0.283 44.870 45.100 0.088 0.000 0.922 1162 G HN -0.146 nan 8.290 nan 0.000 0.480 1163 D N -0.573 119.864 120.400 0.062 0.000 2.672 1163 D HA 0.275 4.920 4.640 0.009 0.000 0.287 1163 D C 1.377 177.701 176.300 0.040 0.000 1.559 1163 D CA 0.638 54.670 54.000 0.053 0.000 0.796 1163 D CB 0.502 41.342 40.800 0.067 0.000 1.181 1163 D HN 0.731 nan 8.370 nan 0.000 0.458 1164 G N 0.234 109.054 108.800 0.033 0.000 3.327 1164 G HA2 0.514 4.479 3.960 0.009 0.000 0.240 1164 G HA3 0.514 4.479 3.960 0.009 0.000 0.240 1164 G C 0.444 175.325 174.900 -0.032 0.000 1.222 1164 G CA 0.457 45.562 45.100 0.010 0.000 0.871 1164 G HN 0.342 nan 8.290 nan 0.000 0.525 1165 A N -0.798 122.007 122.820 -0.024 0.000 2.544 1165 A HA 0.587 4.912 4.320 0.009 0.000 0.291 1165 A C -1.315 176.256 177.584 -0.020 0.000 1.055 1165 A CA -0.742 51.269 52.037 -0.044 0.000 0.651 1165 A CB 0.362 19.328 19.000 -0.057 0.000 1.296 1165 A HN 0.136 nan 8.150 nan 0.000 0.431 1166 L N 1.205 122.418 121.223 -0.017 0.000 2.331 1166 L HA 0.401 4.747 4.340 0.009 0.000 0.278 1166 L C -0.126 176.711 176.870 -0.055 0.000 1.106 1166 L CA -0.673 54.169 54.840 0.002 0.000 0.824 1166 L CB 1.397 43.486 42.059 0.049 0.000 1.142 1166 L HN 0.515 nan 8.230 nan 0.000 0.443 1167 V N 3.400 123.221 119.914 -0.155 0.000 2.555 1167 V HA 0.675 4.800 4.120 0.009 0.000 0.286 1167 V C 0.722 176.522 176.094 -0.489 0.000 1.044 1167 V CA 0.404 62.498 62.300 -0.343 0.000 1.026 1167 V CB 0.606 32.123 31.823 -0.509 0.000 0.981 1167 V HN 1.017 nan 8.190 nan 0.000 0.480 1168 G N 3.068 111.707 108.800 -0.268 0.000 2.348 1168 G HA2 0.381 4.346 3.960 0.009 0.000 0.296 1168 G HA3 0.381 4.346 3.960 0.009 0.000 0.296 1168 G C -0.913 173.986 174.900 -0.000 0.000 1.258 1168 G CA -0.010 45.037 45.100 -0.088 0.000 0.868 1168 G HN 0.710 nan 8.290 nan 0.000 0.488 1169 S N -1.226 114.507 115.700 0.055 0.000 2.537 1169 S HA 0.401 4.877 4.470 0.009 0.000 0.275 1169 S C 0.930 175.556 174.600 0.043 0.000 1.272 1169 S CA 0.137 58.373 58.200 0.060 0.000 1.050 1169 S CB 1.468 64.718 63.200 0.085 0.000 0.961 1169 S HN 1.331 nan 8.310 nan 0.000 0.496 1170 V N 5.883 125.813 119.914 0.028 0.000 3.608 1170 V HA 0.171 4.296 4.120 0.009 0.000 0.269 1170 V C 1.266 177.386 176.094 0.043 0.000 1.245 1170 V CA 0.925 63.235 62.300 0.017 0.000 1.138 1170 V CB -0.418 31.385 31.823 -0.033 0.000 0.841 1170 V HN 0.889 nan 8.190 nan 0.000 0.451 1171 L N -0.704 120.553 121.223 0.057 0.000 2.341 1171 L HA 0.102 4.448 4.340 0.009 0.000 0.214 1171 L C 1.973 178.879 176.870 0.060 0.000 1.115 1171 L CA 0.695 55.575 54.840 0.066 0.000 0.820 1171 L CB -0.357 41.747 42.059 0.076 0.000 0.944 1171 L HN 0.183 nan 8.230 nan 0.000 0.452 1172 I N -0.012 120.594 120.570 0.060 0.000 3.564 1172 I HA -0.051 4.124 4.170 0.009 0.000 0.294 1172 I C 0.725 176.871 176.117 0.048 0.000 1.289 1172 I CA 0.248 61.580 61.300 0.053 0.000 1.325 1172 I CB -1.360 36.678 38.000 0.064 0.000 1.039 1172 I HN 0.270 nan 8.210 nan 0.000 0.474 1173 N N 2.582 121.318 118.700 0.061 0.000 2.420 1173 N HA 0.059 4.804 4.740 0.009 0.000 0.262 1173 N C -1.324 174.205 175.510 0.033 0.000 1.144 1173 N CA -0.864 52.238 53.050 0.088 0.000 0.952 1173 N CB 1.301 39.860 38.487 0.119 0.000 1.081 1173 N HN -0.033 nan 8.380 nan 0.000 0.480 1174 P HA -0.090 nan 4.420 nan 0.000 0.220 1174 P C 0.435 177.571 177.300 -0.273 0.000 1.152 1174 P CA 1.165 64.111 63.100 -0.256 0.000 0.812 1174 P CB 0.077 31.479 31.700 -0.496 0.000 0.792 1175 F N 0.947 120.917 119.950 0.033 0.000 2.416 1175 F HA 0.209 4.741 4.527 0.009 0.000 0.296 1175 F C 1.697 177.550 175.800 0.089 0.000 1.099 1175 F CA -0.062 57.970 58.000 0.054 0.000 1.427 1175 F CB -1.350 37.664 39.000 0.023 0.000 1.079 1175 F HN -0.204 nan 8.300 nan 0.000 0.536 1176 A N 2.006 124.970 122.820 0.240 0.000 2.500 1176 A HA 0.061 4.386 4.320 0.009 0.000 0.285 1176 A C 0.398 178.083 177.584 0.168 0.000 1.183 1176 A CA -0.009 52.140 52.037 0.187 0.000 0.851 1176 A CB -0.459 18.615 19.000 0.122 0.000 1.091 1176 A HN 0.002 nan 8.150 nan 0.000 0.521 1177 K N 2.824 123.354 120.400 0.216 0.000 2.234 1177 K HA 0.099 4.424 4.320 0.009 0.000 0.277 1177 K C -0.290 176.412 176.600 0.170 0.000 1.038 1177 K CA -0.396 55.985 56.287 0.156 0.000 0.888 1177 K CB 0.789 33.363 32.500 0.124 0.000 1.091 1177 K HN 0.768 nan 8.250 nan 0.000 0.467 1178 N N 4.051 122.820 118.700 0.115 0.000 2.406 1178 N HA 0.005 4.750 4.740 0.009 0.000 0.269 1178 N C -0.437 175.113 175.510 0.066 0.000 1.210 1178 N CA 0.175 53.294 53.050 0.115 0.000 0.966 1178 N CB 0.327 38.865 38.487 0.085 0.000 1.293 1178 N HN 0.305 nan 8.380 nan 0.000 0.491 1179 R N 0.746 121.349 120.500 0.171 0.000 2.459 1179 R HA 0.237 4.582 4.340 0.009 0.000 0.281 1179 R C 1.220 177.568 176.300 0.080 0.000 1.050 1179 R CA 0.160 56.305 56.100 0.076 0.000 1.055 1179 R CB 0.687 31.000 30.300 0.023 0.000 1.045 1179 R HN 0.632 nan 8.270 nan 0.000 0.495 1180 G N 1.822 110.586 108.800 -0.061 0.000 2.420 1180 G HA2 -0.298 3.668 3.960 0.009 0.000 0.305 1180 G HA3 -0.298 3.668 3.960 0.009 0.000 0.305 1180 G C 0.094 175.070 174.900 0.125 0.000 0.971 1180 G CA 1.357 46.426 45.100 -0.051 0.000 0.843 1180 G HN 1.011 nan 8.290 nan 0.000 0.512 1181 W N -4.106 117.297 121.300 0.172 0.000 1.432 1181 W HA -0.234 4.431 4.660 0.009 0.000 0.247 1181 W C 0.795 177.426 176.519 0.187 0.000 1.009 1181 W CA -0.034 57.458 57.345 0.245 0.000 0.410 1181 W CB -1.689 28.032 29.460 0.435 0.000 2.021 1181 W HN 0.723 nan 8.180 nan 0.000 1.167 1182 I N 1.192 121.934 120.570 0.285 0.000 2.378 1182 I HA 0.399 4.574 4.170 0.009 0.000 0.291 1182 I C 0.561 176.669 176.117 -0.015 0.000 0.992 1182 I CA -1.545 59.799 61.300 0.074 0.000 1.154 1182 I CB 1.018 38.939 38.000 -0.133 0.000 1.315 1182 I HN 0.024 nan 8.210 nan 0.000 0.448 1183 R N 6.980 127.459 120.500 -0.035 0.000 2.325 1183 R HA 0.215 4.561 4.340 0.009 0.000 0.323 1183 R C -1.641 174.620 176.300 -0.065 0.000 1.177 1183 R CA -0.196 55.917 56.100 0.022 0.000 1.018 1183 R CB -0.110 30.218 30.300 0.047 0.000 1.070 1183 R HN 0.645 nan 8.270 nan 0.000 0.495 1184 Y N 3.190 123.547 120.300 0.095 0.000 2.436 1184 Y HA 0.204 4.759 4.550 0.009 0.000 0.343 1184 Y C 0.505 176.504 175.900 0.164 0.000 1.008 1184 Y CA -0.271 57.913 58.100 0.140 0.000 1.241 1184 Y CB 1.223 39.801 38.460 0.196 0.000 1.153 1184 Y HN 0.267 nan 8.280 nan 0.000 0.521 1185 V N 6.392 126.400 119.914 0.156 0.000 2.975 1185 V HA 0.607 4.733 4.120 0.009 0.000 0.318 1185 V C -2.278 173.705 176.094 -0.185 0.000 1.077 1185 V CA -2.467 59.842 62.300 0.016 0.000 1.000 1185 V CB 2.582 34.376 31.823 -0.048 0.000 1.066 1185 V HN 0.561 nan 8.190 nan 0.000 0.452 1186 P HA 0.530 nan 4.420 nan 0.000 0.306 1186 P C -1.598 175.506 177.300 -0.327 0.000 1.399 1186 P CA -0.416 62.294 63.100 -0.650 0.000 0.992 1186 P CB 1.921 33.033 31.700 -0.981 0.000 1.148 1187 V N 0.944 120.728 119.914 -0.218 0.000 3.040 1187 V HA 0.536 4.662 4.120 0.009 0.000 0.312 1187 V C 0.331 176.383 176.094 -0.070 0.000 1.115 1187 V CA -1.298 60.932 62.300 -0.116 0.000 0.998 1187 V CB 2.026 33.823 31.823 -0.042 0.000 1.042 1187 V HN 0.306 nan 8.190 nan 0.000 0.433 1188 I N 1.862 122.406 120.570 -0.044 0.000 2.581 1188 I HA 0.220 4.395 4.170 0.009 0.000 0.285 1188 I C 0.669 176.836 176.117 0.083 0.000 1.129 1188 I CA 0.661 61.970 61.300 0.016 0.000 1.397 1188 I CB 0.079 38.076 38.000 -0.006 0.000 1.399 1188 I HN 0.746 nan 8.210 nan 0.000 0.537 1189 T N 4.835 119.456 114.554 0.112 0.000 2.881 1189 T HA 0.201 4.557 4.350 0.009 0.000 0.278 1189 T C 0.013 174.817 174.700 0.174 0.000 0.982 1189 T CA -0.441 61.733 62.100 0.123 0.000 0.989 1189 T CB 1.232 70.163 68.868 0.106 0.000 1.058 1189 T HN 0.447 nan 8.240 nan 0.000 0.529 1190 D N 0.689 121.159 120.400 0.117 0.000 2.210 1190 D HA 0.150 4.795 4.640 0.009 0.000 0.249 1190 D C -0.201 176.132 176.300 0.056 0.000 1.062 1190 D CA -0.186 53.848 54.000 0.057 0.000 0.891 1190 D CB 0.641 41.439 40.800 -0.004 0.000 1.186 1190 D HN 0.467 nan 8.370 nan 0.000 0.432 1191 H N 0.935 119.954 119.070 -0.086 0.000 2.548 1191 H HA 0.325 4.886 4.556 0.009 0.000 0.331 1191 H C -0.731 174.559 175.328 -0.063 0.000 1.093 1191 H CA -0.091 55.925 56.048 -0.055 0.000 1.367 1191 H CB 0.715 30.440 29.762 -0.061 0.000 1.455 1191 H HN 0.305 nan 8.280 nan 0.000 0.519 1192 T N 3.505 117.719 114.554 -0.567 0.000 3.031 1192 T HA 0.371 4.726 4.350 0.009 0.000 0.305 1192 T C -0.264 174.181 174.700 -0.424 0.000 0.985 1192 T CA -1.098 60.764 62.100 -0.396 0.000 1.008 1192 T CB 1.308 70.065 68.868 -0.186 0.000 1.005 1192 T HN 0.579 nan 8.240 nan 0.000 0.444 1193 R N 2.661 122.964 120.500 -0.328 0.000 2.438 1193 R HA 0.242 4.587 4.340 0.009 0.000 0.287 1193 R C -0.235 175.993 176.300 -0.120 0.000 1.077 1193 R CA -0.674 55.311 56.100 -0.190 0.000 1.034 1193 R CB 0.530 30.761 30.300 -0.115 0.000 0.993 1193 R HN 0.675 nan 8.270 nan 0.000 0.459 1194 D N 2.833 123.184 120.400 -0.081 0.000 2.424 1194 D HA 0.065 4.710 4.640 0.009 0.000 0.244 1194 D C 0.400 176.680 176.300 -0.033 0.000 1.134 1194 D CA 0.650 54.619 54.000 -0.052 0.000 0.881 1194 D CB 1.063 41.842 40.800 -0.035 0.000 1.191 1194 D HN 0.187 nan 8.370 nan 0.000 0.445 1195 R N 0.840 121.330 120.500 -0.017 0.000 2.919 1195 R HA 0.284 4.630 4.340 0.009 0.000 0.260 1195 R C -0.202 176.125 176.300 0.045 0.000 1.067 1195 R CA -0.885 55.223 56.100 0.013 0.000 1.003 1195 R CB 1.526 31.835 30.300 0.015 0.000 1.192 1195 R HN 0.487 nan 8.270 nan 0.000 0.488 1196 E N 1.763 122.012 120.200 0.082 0.000 2.174 1196 E HA 0.225 4.580 4.350 0.009 0.000 0.282 1196 E C -0.530 176.173 176.600 0.171 0.000 0.992 1196 E CA -0.875 55.581 56.400 0.093 0.000 0.803 1196 E CB 1.171 30.919 29.700 0.079 0.000 1.090 1196 E HN 0.446 nan 8.360 nan 0.000 0.396 1197 R N 2.072 122.632 120.500 0.098 0.000 2.528 1197 R HA 0.536 4.882 4.340 0.009 0.000 0.271 1197 R C -0.596 175.748 176.300 0.075 0.000 1.056 1197 R CA -0.561 55.566 56.100 0.045 0.000 1.117 1197 R CB 0.920 31.166 30.300 -0.089 0.000 1.085 1197 R HN 0.520 nan 8.270 nan 0.000 0.530 1198 A N 2.630 125.462 122.820 0.021 0.000 2.410 1198 A HA 0.095 4.421 4.320 0.009 0.000 0.292 1198 A C 0.691 178.333 177.584 0.097 0.000 1.232 1198 A CA -0.581 51.505 52.037 0.081 0.000 0.893 1198 A CB 0.253 19.304 19.000 0.084 0.000 1.131 1198 A HN 0.905 nan 8.150 nan 0.000 0.530 1199 E N 1.832 122.112 120.200 0.133 0.000 2.273 1199 E HA -0.181 4.174 4.350 0.009 0.000 0.198 1199 E C 1.439 178.198 176.600 0.266 0.000 1.002 1199 E CA 0.676 57.209 56.400 0.222 0.000 0.828 1199 E CB 0.034 29.833 29.700 0.165 0.000 0.747 1199 E HN 0.764 nan 8.360 nan 0.000 0.491 1200 L N -0.407 120.915 121.223 0.165 0.000 2.185 1200 L HA 0.095 4.440 4.340 0.009 0.000 0.198 1200 L C 2.139 179.098 176.870 0.149 0.000 1.079 1200 L CA 1.503 56.433 54.840 0.150 0.000 0.780 1200 L CB -1.042 41.092 42.059 0.126 0.000 0.955 1200 L HN 0.101 nan 8.230 nan 0.000 0.462 1201 G N -0.930 107.945 108.800 0.126 0.000 2.448 1201 G HA2 -0.209 3.757 3.960 0.009 0.000 0.219 1201 G HA3 -0.209 3.757 3.960 0.009 0.000 0.219 1201 G C 1.565 176.517 174.900 0.088 0.000 1.127 1201 G CA 0.937 46.112 45.100 0.125 0.000 0.766 1201 G HN 0.452 nan 8.290 nan 0.000 0.552 1202 S N -1.002 114.767 115.700 0.114 0.000 2.436 1202 S HA -0.008 4.467 4.470 0.009 0.000 0.228 1202 S C 1.790 176.611 174.600 0.369 0.000 1.014 1202 S CA 0.485 58.820 58.200 0.224 0.000 0.950 1202 S CB -0.236 63.098 63.200 0.222 0.000 0.784 1202 S HN 0.586 nan 8.310 nan 0.000 0.504 1203 Y N 1.769 122.056 120.300 -0.021 0.000 2.269 1203 Y HA 0.152 4.708 4.550 0.008 0.000 0.294 1203 Y C 1.839 177.427 175.900 -0.520 0.000 1.120 1203 Y CA 0.932 58.598 58.100 -0.724 0.000 1.159 1203 Y CB -0.145 37.793 38.460 -0.871 0.000 1.024 1203 Y HN 0.088 nan 8.280 nan 0.000 0.532 1204 L N -0.610 120.381 121.223 -0.387 0.000 2.083 1204 L HA -0.255 4.090 4.340 0.009 0.000 0.209 1204 L C 2.294 178.656 176.870 -0.847 0.000 1.083 1204 L CA 1.849 56.306 54.840 -0.638 0.000 0.752 1204 L CB -0.763 41.019 42.059 -0.461 0.000 0.899 1204 L HN 0.392 nan 8.230 nan 0.000 0.433 1205 Y N 0.947 120.765 120.300 -0.804 0.000 2.128 1205 Y HA -0.353 4.203 4.550 0.009 0.000 0.284 1205 Y C 2.567 178.283 175.900 -0.306 0.000 1.154 1205 Y CA 2.126 59.886 58.100 -0.567 0.000 1.149 1205 Y CB -0.197 38.177 38.460 -0.144 0.000 0.976 1205 Y HN 0.274 nan 8.280 nan 0.000 0.505 1206 D N 0.191 120.417 120.400 -0.290 0.000 2.144 1206 D HA -0.201 4.444 4.640 0.009 0.000 0.199 1206 D C 1.994 178.049 176.300 -0.407 0.000 0.984 1206 D CA 1.599 55.431 54.000 -0.281 0.000 0.834 1206 D CB -0.174 40.635 40.800 0.014 0.000 0.955 1206 D HN 0.523 nan 8.370 nan 0.000 0.465 1207 L N -0.462 120.435 121.223 -0.543 0.000 2.249 1207 L HA -0.020 4.325 4.340 0.009 0.000 0.207 1207 L C 2.354 179.004 176.870 -0.366 0.000 1.090 1207 L CA 0.064 54.644 54.840 -0.433 0.000 0.802 1207 L CB -0.314 41.434 42.059 -0.518 0.000 0.947 1207 L HN -0.004 nan 8.230 nan 0.000 0.453 1208 F N 0.494 120.012 119.950 -0.720 0.000 2.202 1208 F HA -0.225 4.308 4.527 0.009 0.000 0.301 1208 F C 2.364 177.831 175.800 -0.554 0.000 1.082 1208 F CA 1.537 58.966 58.000 -0.952 0.000 1.313 1208 F CB -0.169 38.237 39.000 -0.991 0.000 1.024 1208 F HN -0.041 nan 8.300 nan 0.000 0.495 1209 S N 0.426 115.768 115.700 -0.598 0.000 2.335 1209 S HA -0.134 4.342 4.470 0.009 0.000 0.217 1209 S C 1.864 176.216 174.600 -0.414 0.000 1.032 1209 S CA 0.977 58.840 58.200 -0.561 0.000 0.985 1209 S CB -0.347 62.552 63.200 -0.502 0.000 0.896 1209 S HN 0.201 nan 8.310 nan 0.000 0.445 1210 R N 0.953 121.272 120.500 -0.301 0.000 2.165 1210 R HA -0.162 4.183 4.340 0.009 0.000 0.254 1210 R C 2.521 178.702 176.300 -0.198 0.000 1.153 1210 R CA 1.409 57.393 56.100 -0.194 0.000 0.971 1210 R CB -1.652 28.569 30.300 -0.132 0.000 0.878 1210 R HN 0.563 nan 8.270 nan 0.000 0.449 1211 C N -0.324 118.818 119.300 -0.264 0.000 2.455 1211 C HA -0.031 4.434 4.460 0.009 0.000 0.281 1211 C C 2.482 177.282 174.990 -0.317 0.000 1.237 1211 C CA 0.651 59.525 59.018 -0.239 0.000 1.726 1211 C CB -1.115 26.477 27.740 -0.247 0.000 2.068 1211 C HN 0.512 nan 8.230 nan 0.000 0.466 1212 L N 0.683 121.580 121.223 -0.544 0.000 2.081 1212 L HA -0.147 4.198 4.340 0.009 0.000 0.212 1212 L C 2.723 179.412 176.870 -0.303 0.000 1.080 1212 L CA 2.015 56.565 54.840 -0.484 0.000 0.754 1212 L CB -1.008 40.658 42.059 -0.654 0.000 0.893 1212 L HN 0.441 nan 8.230 nan 0.000 0.433 1213 S N -0.799 114.742 115.700 -0.266 0.000 2.453 1213 S HA -0.161 4.314 4.470 0.009 0.000 0.231 1213 S C 1.743 176.266 174.600 -0.127 0.000 1.005 1213 S CA 0.861 58.956 58.200 -0.174 0.000 0.949 1213 S CB 0.022 63.133 63.200 -0.149 0.000 0.774 1213 S HN 0.334 nan 8.310 nan 0.000 0.510 1214 E N 0.720 120.843 120.200 -0.128 0.000 2.299 1214 E HA 0.151 4.506 4.350 0.009 0.000 0.193 1214 E C 1.350 177.909 176.600 -0.069 0.000 0.998 1214 E CA 0.284 56.637 56.400 -0.078 0.000 0.851 1214 E CB 0.036 29.701 29.700 -0.058 0.000 0.795 1214 E HN 0.186 nan 8.360 nan 0.000 0.492 1215 S N -0.686 114.954 115.700 -0.100 0.000 2.583 1215 S HA 0.288 4.763 4.470 0.009 0.000 0.239 1215 S C 0.062 174.608 174.600 -0.090 0.000 0.966 1215 S CA 0.403 58.554 58.200 -0.081 0.000 0.973 1215 S CB -0.835 62.310 63.200 -0.092 0.000 0.794 1215 S HN 0.437 nan 8.310 nan 0.000 0.463 1235 I N 0.977 121.530 120.570 -0.029 0.000 3.554 1235 I HA 0.247 4.422 4.170 0.009 0.000 0.321 1235 I C -0.829 175.264 176.117 -0.041 0.000 1.484 1235 I CA 0.305 61.584 61.300 -0.035 0.000 0.975 1235 I CB 0.441 38.415 38.000 -0.043 0.000 1.528 1235 I HN 0.411 nan 8.210 nan 0.000 0.609 1236 D N 0.552 120.927 120.400 -0.042 0.000 2.469 1236 D HA 0.052 4.697 4.640 0.009 0.000 0.213 1236 D C 1.607 177.869 176.300 -0.064 0.000 1.135 1236 D CA -0.019 53.950 54.000 -0.052 0.000 0.834 1236 D CB 0.923 41.693 40.800 -0.050 0.000 1.009 1236 D HN 0.174 nan 8.370 nan 0.000 0.507 1237 Q N 0.735 120.500 119.800 -0.059 0.000 2.364 1237 Q HA -0.026 4.319 4.340 0.009 0.000 0.209 1237 Q C 2.224 178.188 176.000 -0.059 0.000 0.977 1237 Q CA 0.433 56.194 55.803 -0.070 0.000 0.885 1237 Q CB 0.121 28.827 28.738 -0.053 0.000 0.941 1237 Q HN 0.443 nan 8.270 nan 0.000 0.464 1238 L N 0.458 121.657 121.223 -0.041 0.000 2.141 1238 L HA -0.104 4.241 4.340 0.009 0.000 0.209 1238 L C 1.802 178.672 176.870 0.000 0.000 1.094 1238 L CA 0.647 55.475 54.840 -0.021 0.000 0.763 1238 L CB -0.332 41.715 42.059 -0.020 0.000 0.908 1238 L HN 0.193 nan 8.230 nan 0.000 0.437 1239 I N -2.852 117.716 120.570 -0.003 0.000 3.731 1239 I HA 0.132 4.308 4.170 0.009 0.000 0.316 1239 I C -0.296 175.861 176.117 0.067 0.000 1.395 1239 I CA -0.235 61.103 61.300 0.063 0.000 1.294 1239 I CB -0.976 37.064 38.000 0.067 0.000 1.238 1239 I HN 0.075 nan 8.210 nan 0.000 0.437 1240 C N 1.017 120.317 119.300 -0.001 0.000 2.888 1240 C HA 0.658 5.124 4.460 0.009 0.000 0.308 1240 C C 0.426 175.439 174.990 0.038 0.000 1.213 1240 C CA -0.646 58.309 59.018 -0.105 0.000 1.461 1240 C CB 2.678 30.247 27.740 -0.283 0.000 1.934 1240 C HN 0.508 nan 8.230 nan 0.000 0.474 1241 R N 0.603 121.172 120.500 0.116 0.000 3.055 1241 R HA 0.772 5.117 4.340 0.009 0.000 0.231 1241 R C -0.762 175.583 176.300 0.075 0.000 1.443 1241 R CA -0.522 55.646 56.100 0.112 0.000 1.063 1241 R CB 1.464 31.865 30.300 0.168 0.000 1.514 1241 R HN 0.737 nan 8.270 nan 0.000 0.510 1242 S N 0.720 116.460 115.700 0.068 0.000 2.500 1242 S HA 0.373 4.849 4.470 0.009 0.000 0.301 1242 S C -0.658 173.991 174.600 0.082 0.000 1.092 1242 S CA -0.907 57.331 58.200 0.064 0.000 1.030 1242 S CB 1.586 64.808 63.200 0.036 0.000 1.031 1242 S HN 0.590 nan 8.310 nan 0.000 0.483 1243 N N 1.502 120.261 118.700 0.098 0.000 2.477 1243 N HA 0.668 5.414 4.740 0.009 0.000 0.284 1243 N C -2.722 172.855 175.510 0.110 0.000 1.182 1243 N CA -1.526 51.585 53.050 0.101 0.000 0.949 1243 N CB -0.507 38.040 38.487 0.099 0.000 1.204 1243 N HN 0.233 nan 8.380 nan 0.000 0.526 1244 P HA 0.033 nan 4.420 nan 0.000 0.272 1244 P C -0.617 176.724 177.300 0.067 0.000 1.243 1244 P CA 0.016 63.151 63.100 0.060 0.000 0.803 1244 P CB 0.055 31.740 31.700 -0.025 0.000 0.974 1245 T N 1.739 116.310 114.554 0.028 0.000 2.779 1245 T HA 0.388 4.743 4.350 0.009 0.000 0.280 1245 T C -0.098 174.511 174.700 -0.151 0.000 0.987 1245 T CA -0.578 61.483 62.100 -0.065 0.000 0.966 1245 T CB 0.726 69.548 68.868 -0.077 0.000 0.933 1245 T HN 0.228 nan 8.240 nan 0.000 0.442 1246 K N 3.003 123.300 120.400 -0.172 0.000 2.426 1246 K HA 0.607 4.932 4.320 0.009 0.000 0.251 1246 K C -0.840 175.670 176.600 -0.149 0.000 0.941 1246 K CA -0.847 55.362 56.287 -0.131 0.000 0.808 1246 K CB 2.290 34.748 32.500 -0.070 0.000 1.265 1246 K HN 0.336 nan 8.250 nan 0.000 0.432 1247 I N 0.736 121.253 120.570 -0.088 0.000 2.863 1247 I HA 0.503 4.679 4.170 0.009 0.000 0.311 1247 I C 0.176 176.272 176.117 -0.034 0.000 1.026 1247 I CA -0.675 60.600 61.300 -0.042 0.000 1.077 1247 I CB 1.573 39.616 38.000 0.072 0.000 1.262 1247 I HN 0.801 nan 8.210 nan 0.000 0.461 1248 S N 2.702 118.379 115.700 -0.038 0.000 2.579 1248 S HA 0.535 5.010 4.470 0.009 0.000 0.290 1248 S C -1.015 173.535 174.600 -0.084 0.000 1.123 1248 S CA -1.228 56.932 58.200 -0.066 0.000 0.894 1248 S CB 1.531 64.682 63.200 -0.082 0.000 1.095 1248 S HN 0.703 nan 8.310 nan 0.000 0.450 1249 R N 0.710 121.147 120.500 -0.106 0.000 2.254 1249 R HA 0.678 5.023 4.340 0.009 0.000 0.318 1249 R C -0.025 176.203 176.300 -0.120 0.000 1.031 1249 R CA -0.339 55.689 56.100 -0.119 0.000 0.905 1249 R CB 0.967 31.188 30.300 -0.132 0.000 1.050 1249 R HN 0.737 nan 8.270 nan 0.000 0.456 1250 S N 2.399 118.031 115.700 -0.113 0.000 2.416 1250 S HA 0.109 4.585 4.470 0.009 0.000 0.287 1250 S C 0.528 175.059 174.600 -0.116 0.000 1.139 1250 S CA -0.496 57.631 58.200 -0.121 0.000 1.058 1250 S CB 0.686 63.825 63.200 -0.103 0.000 0.967 1250 S HN 0.774 nan 8.310 nan 0.000 0.495 1251 T N 1.534 116.026 114.554 -0.103 0.000 2.795 1251 T HA 0.310 4.665 4.350 0.009 0.000 0.314 1251 T C 1.574 176.195 174.700 -0.132 0.000 1.069 1251 T CA -0.045 62.014 62.100 -0.070 0.000 1.071 1251 T CB 0.198 69.087 68.868 0.034 0.000 0.988 1251 T HN 0.789 nan 8.240 nan 0.000 0.543 1252 G N 0.428 109.141 108.800 -0.145 0.000 2.509 1252 G HA2 0.012 3.977 3.960 0.009 0.000 0.218 1252 G HA3 0.012 3.977 3.960 0.009 0.000 0.218 1252 G C 0.620 175.268 174.900 -0.420 0.000 1.124 1252 G CA 0.019 44.974 45.100 -0.241 0.000 0.776 1252 G HN 0.731 nan 8.290 nan 0.000 0.547 1253 K N -0.315 119.933 120.400 -0.253 0.000 2.219 1253 K HA 0.395 4.720 4.320 0.009 0.000 0.258 1253 K C -0.626 175.751 176.600 -0.372 0.000 1.008 1253 K CA -0.165 55.988 56.287 -0.223 0.000 0.928 1253 K CB 0.619 33.065 32.500 -0.091 0.000 0.983 1253 K HN 0.111 nan 8.250 nan 0.000 0.484 1254 F N -0.258 119.696 119.950 0.006 0.000 2.535 1254 F HA 0.430 4.962 4.527 0.009 0.000 0.367 1254 F C 0.373 176.174 175.800 0.000 0.000 1.096 1254 F CA -0.605 57.411 58.000 0.026 0.000 1.088 1254 F CB 1.043 40.044 39.000 0.002 0.000 1.387 1254 F HN 0.406 nan 8.300 nan 0.000 0.494 1255 D N -0.598 119.951 120.400 0.248 0.000 2.671 1255 D HA 0.398 5.043 4.640 0.009 0.000 0.273 1255 D C -1.826 174.538 176.300 0.108 0.000 1.264 1255 D CA -0.239 53.845 54.000 0.141 0.000 0.788 1255 D CB 2.439 43.357 40.800 0.198 0.000 1.324 1255 D HN 0.164 nan 8.370 nan 0.000 0.424 1256 I N 2.243 122.859 120.570 0.077 0.000 2.410 1256 I HA 0.287 4.462 4.170 0.009 0.000 0.286 1256 I C -0.111 176.053 176.117 0.078 0.000 1.009 1256 I CA -0.456 60.867 61.300 0.037 0.000 1.111 1256 I CB 1.401 39.401 38.000 -0.000 0.000 1.262 1256 I HN 0.369 nan 8.210 nan 0.000 0.443 1257 Q N 5.614 125.443 119.800 0.050 0.000 2.312 1257 Q HA 0.422 4.768 4.340 0.009 0.000 0.263 1257 Q C -1.790 174.251 176.000 0.068 0.000 0.995 1257 Q CA -0.552 55.316 55.803 0.107 0.000 0.853 1257 Q CB 1.840 30.639 28.738 0.101 0.000 1.300 1257 Q HN 0.459 nan 8.270 nan 0.000 0.448 1258 Y N 4.312 124.655 120.300 0.073 0.000 2.327 1258 Y HA 0.290 4.846 4.550 0.009 0.000 0.336 1258 Y C 0.513 176.515 175.900 0.170 0.000 1.035 1258 Y CA -0.375 57.791 58.100 0.110 0.000 1.165 1258 Y CB 0.733 39.246 38.460 0.089 0.000 1.181 1258 Y HN 0.561 nan 8.280 nan 0.000 0.494 1259 I N 0.094 120.827 120.570 0.272 0.000 4.120 1259 I HA 1.000 5.176 4.170 0.009 0.000 0.239 1259 I C -0.804 175.415 176.117 0.169 0.000 1.195 1259 I CA -1.569 59.865 61.300 0.223 0.000 1.348 1259 I CB 1.306 39.386 38.000 0.132 0.000 1.409 1259 I HN 0.451 nan 8.210 nan 0.000 0.474 1260 A N 0.231 123.055 122.820 0.007 0.000 2.374 1260 A HA 0.728 5.054 4.320 0.009 0.000 0.305 1260 A C -1.112 176.377 177.584 -0.159 0.000 1.053 1260 A CA -0.386 51.521 52.037 -0.216 0.000 0.726 1260 A CB 1.197 20.054 19.000 -0.239 0.000 1.229 1260 A HN 0.788 nan 8.150 nan 0.000 0.431 1261 C N 0.841 120.000 119.300 -0.234 0.000 2.973 1261 C HA 0.998 5.463 4.460 0.009 0.000 0.329 1261 C C 0.079 174.974 174.990 -0.157 0.000 1.327 1261 C CA 0.300 59.135 59.018 -0.304 0.000 1.632 1261 C CB 2.073 29.622 27.740 -0.319 0.000 2.098 1261 C HN 1.382 nan 8.230 nan 0.000 0.469 1262 S N 0.240 115.838 115.700 -0.170 0.000 2.537 1262 S HA 0.456 4.931 4.470 0.009 0.000 0.271 1262 S C -1.042 173.516 174.600 -0.071 0.000 1.148 1262 S CA -0.448 57.727 58.200 -0.041 0.000 0.868 1262 S CB 1.284 64.438 63.200 -0.077 0.000 1.115 1262 S HN 0.639 nan 8.310 nan 0.000 0.461 1263 S N 2.264 118.032 115.700 0.114 0.000 4.139 1263 S HA 0.731 5.206 4.470 0.009 0.000 0.215 1263 S C 0.689 175.355 174.600 0.109 0.000 1.390 1263 S CA 0.293 58.567 58.200 0.124 0.000 0.885 1263 S CB -1.317 61.999 63.200 0.194 0.000 1.560 1263 S HN 1.485 nan 8.310 nan 0.000 0.449 1264 R N 0.000 120.479 120.500 -0.034 0.000 2.786 1264 R HA 0.000 4.345 4.340 0.009 0.000 0.208 1264 R CA 0.000 56.077 56.100 -0.038 0.000 0.921 1264 R CB 0.000 30.318 30.300 0.031 0.000 0.687 1264 R HN 0.000 nan 8.270 nan 0.000 0.535