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 1fty_1_A DATA FIRST_RESID 13 DATA SEQUENCE ISVRGLAGVE NVTELKKNFN RHLHFTLVKD RNVATPRDYY FALAHTVRDH DATA SEQUENCE LVGRWIRTQQ HYYEKDPKRI YYLSLEFYMG RTLQNTMVNL ALENACDEAT DATA SEQUENCE YQLGLDMEEL EEIEEDAGLG NGGLGRLAAC FLDSMATLGL AAYGYGIRYE DATA SEQUENCE FGIFNQKICG GWQMEEADDW LRYGNPWEKA RPEFTLPVHF YGRVEHTSQG DATA SEQUENCE AKWVDTQVVL AMPYDTPVPG YRNNVVNTMR LWSAKAPNDF NLKDFNVGGY DATA SEQUENCE IQAVLDRNLA ENISRVLYPN DNFFEGKELR LKQEYFVVAA TLQDIIRRFK DATA SEQUENCE SSKFGCRDPV RTNFDAFPDK VAIQLNDTHP SLAIPELMRV LVDLERLDWD DATA SEQUENCE KAWEVTVKTC AYTNHTVIPE ALERWPVHLL ETLLPRHLQI IYEINQRFLN DATA SEQUENCE RVAAAFPGDV DRLRRMSLVE EGAVKRINMA HLCIAGSHAV NGVARIHSEI DATA SEQUENCE LKKTIFKDFY ELEPHKFQNK TNGITPRRWL VLCNPGLAEI IAERIGEEYI DATA SEQUENCE SDLDQLRKLL SYVDDEAFIR DVAKVKQENK LKFAAYLERE YKVHINPNSL DATA SEQUENCE FDVQVKRIHE YKRQLLNCLH VITLYNRIKK EPNKFVVPRT VMIGGKAAPG DATA SEQUENCE YHMAKMIIKL ITAIGDVVNH DPVVGDRLRV IFLENYRVSL AEKVIPAADL DATA SEQUENCE SEQISTAGTE ASGTGNMKFM LNGALTIGTM DGANVEMAEE AGEENFFIFG DATA SEQUENCE MRVEDVDRLD QRGYNAQEYY DRIPELRQII EQLSSGFFSP KQPDLFKDIV DATA SEQUENCE NMLMHHDRFK VFADYEEYVK CQERVSALYK NPREWTRMVI RNIATSGKFS DATA SEQUENCE SDRTIAQYAR EIWGVEPSRQ RLPAPDEKIP 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 13 I HA 0.000 nan 4.170 nan 0.000 0.288 13 I C 0.000 176.105 176.117 -0.020 0.000 1.063 13 I CA 0.000 61.279 61.300 -0.035 0.000 1.566 13 I CB 0.000 37.970 38.000 -0.050 0.000 1.214 14 S N -0.415 115.278 115.700 -0.011 0.000 2.630 14 S HA 0.150 4.613 4.470 -0.013 0.000 0.274 14 S C -1.606 172.997 174.600 0.004 0.000 0.915 14 S CA 0.054 58.255 58.200 0.001 0.000 1.079 14 S CB 0.857 64.058 63.200 0.001 0.000 1.360 14 S HN 0.163 nan 8.310 nan 0.000 0.455 15 V N 4.270 124.193 119.914 0.015 0.000 2.836 15 V HA 0.402 4.514 4.120 -0.013 0.000 0.368 15 V C 0.865 176.966 176.094 0.012 0.000 1.452 15 V CA -0.039 62.270 62.300 0.015 0.000 1.586 15 V CB -0.896 30.944 31.823 0.029 0.000 1.436 15 V HN 0.590 nan 8.190 nan 0.000 0.541 16 R N 2.202 122.703 120.500 0.001 0.000 2.555 16 R HA 0.419 4.752 4.340 -0.013 0.000 0.272 16 R C 0.919 177.210 176.300 -0.015 0.000 1.089 16 R CA 0.552 56.650 56.100 -0.003 0.000 1.126 16 R CB 0.098 30.392 30.300 -0.010 0.000 1.250 16 R HN 0.712 nan 8.270 nan 0.000 0.551 17 G N 0.721 109.512 108.800 -0.015 0.000 2.610 17 G HA2 -0.209 3.744 3.960 -0.013 0.000 0.304 17 G HA3 -0.209 3.744 3.960 -0.013 0.000 0.304 17 G C -1.127 173.757 174.900 -0.026 0.000 1.309 17 G CA -1.047 44.036 45.100 -0.027 0.000 0.906 17 G HN 0.037 nan 8.290 nan 0.000 0.521 18 L N 0.616 121.821 121.223 -0.030 0.000 2.334 18 L HA 0.718 5.050 4.340 -0.013 0.000 0.277 18 L C 1.271 178.125 176.870 -0.026 0.000 1.075 18 L CA 0.108 54.933 54.840 -0.025 0.000 0.804 18 L CB 1.177 43.223 42.059 -0.022 0.000 1.174 18 L HN 1.537 nan 8.230 nan 0.000 0.438 19 A N 2.716 125.523 122.820 -0.023 0.000 3.175 19 A HA 0.557 4.869 4.320 -0.013 0.000 0.289 19 A C 0.822 178.398 177.584 -0.012 0.000 1.429 19 A CA -0.284 51.741 52.037 -0.021 0.000 1.155 19 A CB -0.755 18.230 19.000 -0.025 0.000 1.169 19 A HN 0.787 nan 8.150 nan 0.000 0.574 20 G N -0.286 108.507 108.800 -0.011 0.000 2.474 20 G HA2 0.290 4.242 3.960 -0.013 0.000 0.233 20 G HA3 0.290 4.242 3.960 -0.013 0.000 0.233 20 G C 1.028 175.931 174.900 0.004 0.000 1.278 20 G CA 0.086 45.184 45.100 -0.003 0.000 0.861 20 G HN 0.421 nan 8.290 nan 0.000 0.567 21 V N 1.957 121.875 119.914 0.006 0.000 2.261 21 V HA -0.166 3.946 4.120 -0.013 0.000 0.246 21 V C 2.692 178.796 176.094 0.016 0.000 1.047 21 V CA 2.399 64.706 62.300 0.010 0.000 1.015 21 V CB -0.725 31.104 31.823 0.009 0.000 0.642 21 V HN 0.760 nan 8.190 nan 0.000 0.446 22 E N 0.329 120.540 120.200 0.017 0.000 2.110 22 E HA -0.176 4.167 4.350 -0.013 0.000 0.193 22 E C 2.053 178.674 176.600 0.035 0.000 0.988 22 E CA 1.481 57.896 56.400 0.025 0.000 0.804 22 E CB -0.304 29.410 29.700 0.023 0.000 0.745 22 E HN 0.640 nan 8.360 nan 0.000 0.458 23 N N -1.213 117.505 118.700 0.032 0.000 2.354 23 N HA -0.072 4.660 4.740 -0.013 0.000 0.179 23 N C 1.361 176.896 175.510 0.042 0.000 1.021 23 N CA 0.452 53.527 53.050 0.042 0.000 0.887 23 N CB 0.319 38.820 38.487 0.022 0.000 0.974 23 N HN -0.044 nan 8.380 nan 0.000 0.437 24 V N -0.089 119.842 119.914 0.028 0.000 2.453 24 V HA -0.161 3.951 4.120 -0.013 0.000 0.247 24 V C 1.904 178.021 176.094 0.038 0.000 1.048 24 V CA 1.614 63.931 62.300 0.027 0.000 1.049 24 V CB -0.594 31.240 31.823 0.018 0.000 0.672 24 V HN 0.389 nan 8.190 nan 0.000 0.457 25 T N -0.402 114.175 114.554 0.039 0.000 2.777 25 T HA -0.193 4.150 4.350 -0.013 0.000 0.266 25 T C 1.900 176.636 174.700 0.060 0.000 1.040 25 T CA 1.677 63.802 62.100 0.041 0.000 1.141 25 T CB -0.145 68.743 68.868 0.034 0.000 0.868 25 T HN 0.492 nan 8.240 nan 0.000 0.444 26 E N 0.822 121.064 120.200 0.070 0.000 2.077 26 E HA -0.093 4.249 4.350 -0.013 0.000 0.193 26 E C 1.925 178.604 176.600 0.132 0.000 0.989 26 E CA 0.787 57.242 56.400 0.093 0.000 0.800 26 E CB -0.493 29.269 29.700 0.103 0.000 0.746 26 E HN 0.158 nan 8.360 nan 0.000 0.452 27 L N 0.944 122.251 121.223 0.140 0.000 2.017 27 L HA -0.128 4.205 4.340 -0.013 0.000 0.208 27 L C 2.175 179.157 176.870 0.186 0.000 1.073 27 L CA 1.855 56.804 54.840 0.182 0.000 0.745 27 L CB -0.858 41.276 42.059 0.125 0.000 0.894 27 L HN 0.098 nan 8.230 nan 0.000 0.432 28 K N -0.138 120.333 120.400 0.118 0.000 2.044 28 K HA -0.231 4.081 4.320 -0.013 0.000 0.210 28 K C 1.943 178.649 176.600 0.177 0.000 1.049 28 K CA 2.020 58.372 56.287 0.109 0.000 0.927 28 K CB -0.112 32.412 32.500 0.040 0.000 0.713 28 K HN 0.435 nan 8.250 nan 0.000 0.443 29 K N 0.058 120.539 120.400 0.136 0.000 2.217 29 K HA -0.024 4.288 4.320 -0.013 0.000 0.202 29 K C 1.564 178.252 176.600 0.146 0.000 1.051 29 K CA 1.175 57.537 56.287 0.125 0.000 0.952 29 K CB -0.075 32.472 32.500 0.079 0.000 0.736 29 K HN 0.059 nan 8.250 nan 0.000 0.453 30 N N 0.545 119.347 118.700 0.171 0.000 2.354 30 N HA -0.077 4.655 4.740 -0.013 0.000 0.179 30 N C 1.512 177.184 175.510 0.270 0.000 1.021 30 N CA 0.782 53.928 53.050 0.160 0.000 0.887 30 N CB -0.124 38.472 38.487 0.182 0.000 0.974 30 N HN 0.192 nan 8.380 nan 0.000 0.437 31 F N 2.510 122.566 119.950 0.177 0.000 2.146 31 F HA -0.042 4.477 4.527 -0.012 0.000 0.298 31 F C 2.003 177.915 175.800 0.188 0.000 1.096 31 F CA 1.173 59.296 58.000 0.205 0.000 1.275 31 F CB -0.110 38.979 39.000 0.147 0.000 1.008 31 F HN -0.059 nan 8.300 nan 0.000 0.480 32 N N 0.462 119.373 118.700 0.351 0.000 2.188 32 N HA -0.147 4.586 4.740 -0.013 0.000 0.184 32 N C 2.095 177.679 175.510 0.123 0.000 1.018 32 N CA 0.769 53.950 53.050 0.219 0.000 0.858 32 N CB -0.473 38.130 38.487 0.194 0.000 0.989 32 N HN 0.315 nan 8.380 nan 0.000 0.426 33 R N 0.591 121.161 120.500 0.117 0.000 2.094 33 R HA -0.128 4.205 4.340 -0.013 0.000 0.239 33 R C 1.830 178.200 176.300 0.118 0.000 1.137 33 R CA 1.588 57.781 56.100 0.155 0.000 0.943 33 R CB -0.499 29.787 30.300 -0.023 0.000 0.850 33 R HN 0.460 nan 8.270 nan 0.000 0.433 34 H N -0.309 118.804 119.070 0.072 0.000 2.387 34 H HA -0.145 4.403 4.556 -0.013 0.000 0.299 34 H C 1.843 177.104 175.328 -0.113 0.000 1.090 34 H CA 1.379 57.400 56.048 -0.046 0.000 1.332 34 H CB 0.018 29.715 29.762 -0.108 0.000 1.386 34 H HN 0.097 nan 8.280 nan 0.000 0.516 35 L N -0.149 121.057 121.223 -0.029 0.000 2.083 35 L HA -0.158 4.174 4.340 -0.013 0.000 0.209 35 L C 2.135 178.984 176.870 -0.036 0.000 1.083 35 L CA 1.817 56.607 54.840 -0.084 0.000 0.752 35 L CB -0.443 41.568 42.059 -0.080 0.000 0.899 35 L HN 0.275 nan 8.230 nan 0.000 0.433 36 H N -1.631 117.352 119.070 -0.145 0.000 2.273 36 H HA -0.032 4.517 4.556 -0.013 0.000 0.311 36 H C 1.839 176.954 175.328 -0.355 0.000 1.057 36 H CA 2.205 58.072 56.048 -0.302 0.000 1.360 36 H CB -0.354 29.126 29.762 -0.470 0.000 1.414 36 H HN 0.256 nan 8.280 nan 0.000 0.516 37 F N -0.242 119.702 119.950 -0.009 0.000 2.259 37 F HA -0.070 4.449 4.527 -0.013 0.000 0.298 37 F C 2.550 178.276 175.800 -0.123 0.000 1.088 37 F CA 1.525 59.467 58.000 -0.098 0.000 1.358 37 F CB -0.420 38.547 39.000 -0.055 0.000 1.040 37 F HN 0.207 nan 8.300 nan 0.000 0.505 38 T N -0.713 113.868 114.554 0.045 0.000 2.983 38 T HA 0.047 4.389 4.350 -0.013 0.000 0.250 38 T C 1.691 176.300 174.700 -0.151 0.000 1.037 38 T CA 0.558 62.615 62.100 -0.071 0.000 1.142 38 T CB -0.119 68.675 68.868 -0.124 0.000 0.876 38 T HN -0.044 nan 8.240 nan 0.000 0.455 39 L N 1.021 122.159 121.223 -0.142 0.000 2.477 39 L HA 0.289 4.621 4.340 -0.013 0.000 0.220 39 L C 0.653 177.430 176.870 -0.155 0.000 1.106 39 L CA 0.389 55.134 54.840 -0.158 0.000 0.851 39 L CB -0.525 41.452 42.059 -0.137 0.000 0.994 39 L HN 0.041 nan 8.230 nan 0.000 0.462 40 V N 0.219 120.025 119.914 -0.181 0.000 5.949 40 V HA -0.295 3.817 4.120 -0.013 0.000 0.287 40 V C 0.430 176.415 176.094 -0.181 0.000 0.603 40 V CA 0.800 62.965 62.300 -0.226 0.000 0.608 40 V CB -2.122 29.592 31.823 -0.182 0.000 0.259 40 V HN 0.396 nan 8.190 nan 0.000 0.742 41 K N 1.304 121.608 120.400 -0.160 0.000 2.466 41 K HA 0.711 5.024 4.320 -0.013 0.000 0.260 41 K C -0.695 175.877 176.600 -0.048 0.000 1.011 41 K CA -0.560 55.665 56.287 -0.103 0.000 0.871 41 K CB 2.835 35.272 32.500 -0.105 0.000 1.404 41 K HN 0.596 nan 8.250 nan 0.000 0.450 42 D N 0.275 120.667 120.400 -0.014 0.000 2.738 42 D HA 0.264 4.896 4.640 -0.013 0.000 0.237 42 D C 0.539 176.870 176.300 0.051 0.000 1.123 42 D CA -0.601 53.424 54.000 0.042 0.000 0.856 42 D CB 1.572 42.395 40.800 0.037 0.000 1.552 42 D HN 0.190 nan 8.370 nan 0.000 0.480 43 R N 1.197 121.757 120.500 0.101 0.000 2.228 43 R HA -0.170 4.162 4.340 -0.013 0.000 0.259 43 R C 1.117 177.489 176.300 0.120 0.000 1.183 43 R CA 1.080 57.276 56.100 0.159 0.000 1.002 43 R CB -0.754 29.644 30.300 0.163 0.000 0.879 43 R HN 0.602 nan 8.270 nan 0.000 0.467 44 N N 0.497 119.238 118.700 0.068 0.000 2.494 44 N HA -0.064 4.669 4.740 -0.013 0.000 0.182 44 N C 1.264 176.793 175.510 0.033 0.000 1.076 44 N CA 1.290 54.370 53.050 0.051 0.000 0.908 44 N CB 0.431 38.939 38.487 0.034 0.000 0.967 44 N HN 0.199 nan 8.380 nan 0.000 0.449 45 V N -2.960 116.961 119.914 0.011 0.000 3.398 45 V HA 0.452 4.564 4.120 -0.013 0.000 0.298 45 V C 0.694 176.756 176.094 -0.053 0.000 1.496 45 V CA -0.627 61.666 62.300 -0.012 0.000 1.044 45 V CB -0.108 31.703 31.823 -0.020 0.000 0.880 45 V HN 0.016 nan 8.190 nan 0.000 0.443 46 A N 2.053 124.818 122.820 -0.092 0.000 2.440 46 A HA 0.618 4.930 4.320 -0.013 0.000 0.251 46 A C 0.690 178.094 177.584 -0.300 0.000 1.089 46 A CA 0.815 52.681 52.037 -0.285 0.000 0.779 46 A CB 0.048 18.743 19.000 -0.508 0.000 1.022 46 A HN 0.753 nan 8.150 nan 0.000 0.492 47 T N -0.089 114.290 114.554 -0.292 0.000 2.949 47 T HA 0.604 4.947 4.350 -0.013 0.000 0.287 47 T C -2.175 172.464 174.700 -0.102 0.000 1.034 47 T CA -1.845 60.186 62.100 -0.115 0.000 1.018 47 T CB 1.393 70.247 68.868 -0.024 0.000 1.135 47 T HN 0.232 nan 8.240 nan 0.000 0.532 48 P HA -0.128 nan 4.420 nan 0.000 0.217 48 P C 1.552 178.979 177.300 0.212 0.000 1.151 48 P CA 1.058 64.314 63.100 0.259 0.000 0.849 48 P CB 0.049 31.856 31.700 0.180 0.000 0.787 49 R N -0.117 120.458 120.500 0.124 0.000 2.092 49 R HA -0.129 4.203 4.340 -0.013 0.000 0.231 49 R C 1.690 178.179 176.300 0.315 0.000 1.119 49 R CA 1.712 57.926 56.100 0.189 0.000 0.970 49 R CB -0.613 29.748 30.300 0.101 0.000 0.864 49 R HN 0.103 nan 8.270 nan 0.000 0.440 50 D N -0.353 120.114 120.400 0.111 0.000 2.117 50 D HA -0.179 4.453 4.640 -0.013 0.000 0.198 50 D C 1.703 178.037 176.300 0.057 0.000 0.982 50 D CA 1.248 55.270 54.000 0.037 0.000 0.828 50 D CB -0.320 40.355 40.800 -0.207 0.000 0.967 50 D HN 0.283 nan 8.370 nan 0.000 0.464 51 Y N 0.203 120.620 120.300 0.195 0.000 2.224 51 Y HA -0.218 4.325 4.550 -0.012 0.000 0.289 51 Y C 2.317 178.370 175.900 0.254 0.000 1.146 51 Y CA 0.352 58.615 58.100 0.271 0.000 1.182 51 Y CB -1.061 37.611 38.460 0.354 0.000 0.983 51 Y HN 0.116 nan 8.280 nan 0.000 0.524 52 Y N -0.800 119.655 120.300 0.257 0.000 2.200 52 Y HA -0.224 4.318 4.550 -0.013 0.000 0.290 52 Y C 1.860 177.734 175.900 -0.042 0.000 1.137 52 Y CA 1.115 59.262 58.100 0.078 0.000 1.163 52 Y CB -1.036 37.367 38.460 -0.095 0.000 0.988 52 Y HN 0.040 nan 8.280 nan 0.000 0.518 53 F N 0.160 119.875 119.950 -0.391 0.000 2.206 53 F HA -0.055 4.464 4.527 -0.012 0.000 0.298 53 F C 2.634 178.264 175.800 -0.284 0.000 1.090 53 F CA 1.168 58.887 58.000 -0.469 0.000 1.323 53 F CB -0.764 38.147 39.000 -0.149 0.000 1.028 53 F HN 0.179 nan 8.300 nan 0.000 0.492 54 A N -0.036 122.727 122.820 -0.094 0.000 1.883 54 A HA -0.203 4.109 4.320 -0.013 0.000 0.217 54 A C 2.069 179.542 177.584 -0.185 0.000 1.186 54 A CA 1.692 53.549 52.037 -0.299 0.000 0.624 54 A CB -1.058 17.384 19.000 -0.930 0.000 0.822 54 A HN 0.343 nan 8.150 nan 0.000 0.444 55 L N -0.249 120.979 121.223 0.007 0.000 1.994 55 L HA -0.039 4.293 4.340 -0.013 0.000 0.208 55 L C 2.734 179.598 176.870 -0.010 0.000 1.071 55 L CA 2.251 57.224 54.840 0.221 0.000 0.745 55 L CB -1.014 41.232 42.059 0.313 0.000 0.892 55 L HN 0.358 nan 8.230 nan 0.000 0.431 56 A N -1.196 121.443 122.820 -0.302 0.000 1.892 56 A HA -0.323 3.989 4.320 -0.013 0.000 0.218 56 A C 2.184 179.434 177.584 -0.556 0.000 1.188 56 A CA 2.232 53.977 52.037 -0.488 0.000 0.631 56 A CB -1.205 17.176 19.000 -1.032 0.000 0.822 56 A HN 0.701 nan 8.150 nan 0.000 0.447 57 H N -0.947 117.820 119.070 -0.506 0.000 2.389 57 H HA -0.053 4.496 4.556 -0.013 0.000 0.299 57 H C 2.339 177.393 175.328 -0.457 0.000 1.081 57 H CA 1.955 57.632 56.048 -0.619 0.000 1.345 57 H CB -0.083 29.079 29.762 -1.000 0.000 1.393 57 H HN 0.493 nan 8.280 nan 0.000 0.520 58 T N -0.448 114.048 114.554 -0.095 0.000 2.777 58 T HA -0.116 4.226 4.350 -0.013 0.000 0.266 58 T C 2.231 177.095 174.700 0.274 0.000 1.040 58 T CA 1.241 63.468 62.100 0.211 0.000 1.141 58 T CB -0.321 68.747 68.868 0.333 0.000 0.868 58 T HN 0.098 nan 8.240 nan 0.000 0.444 59 V N 1.686 121.732 119.914 0.221 0.000 2.358 59 V HA -0.102 4.010 4.120 -0.013 0.000 0.246 59 V C 2.621 178.901 176.094 0.310 0.000 1.047 59 V CA 1.494 63.974 62.300 0.299 0.000 1.035 59 V CB -0.630 31.369 31.823 0.294 0.000 0.658 59 V HN 0.378 nan 8.190 nan 0.000 0.452 60 R N 0.194 120.816 120.500 0.203 0.000 2.120 60 R HA -0.208 4.124 4.340 -0.013 0.000 0.234 60 R C 1.889 178.289 176.300 0.166 0.000 1.123 60 R CA 1.911 58.133 56.100 0.203 0.000 0.975 60 R CB -0.394 29.859 30.300 -0.079 0.000 0.866 60 R HN 0.462 nan 8.270 nan 0.000 0.446 61 D N 0.082 120.560 120.400 0.130 0.000 2.123 61 D HA -0.167 4.465 4.640 -0.013 0.000 0.196 61 D C 1.734 178.041 176.300 0.012 0.000 0.992 61 D CA 1.152 55.194 54.000 0.070 0.000 0.833 61 D CB -0.424 40.396 40.800 0.033 0.000 0.954 61 D HN 0.436 nan 8.370 nan 0.000 0.455 62 H N -0.129 119.009 119.070 0.112 0.000 2.518 62 H HA -0.036 4.513 4.556 -0.012 0.000 0.289 62 H C 1.985 177.358 175.328 0.074 0.000 1.051 62 H CA 0.720 56.819 56.048 0.084 0.000 1.280 62 H CB 0.241 30.045 29.762 0.069 0.000 1.380 62 H HN 0.281 nan 8.280 nan 0.000 0.566 63 L N -1.319 120.011 121.223 0.179 0.000 2.693 63 L HA 0.158 4.491 4.340 -0.013 0.000 0.235 63 L C 1.982 178.961 176.870 0.181 0.000 1.127 63 L CA 0.023 54.939 54.840 0.127 0.000 0.914 63 L CB -0.046 42.044 42.059 0.051 0.000 1.193 63 L HN -0.112 nan 8.230 nan 0.000 0.502 64 V N -1.993 118.051 119.914 0.215 0.000 2.453 64 V HA 0.066 4.179 4.120 -0.013 0.000 0.247 64 V C 2.530 178.750 176.094 0.211 0.000 1.048 64 V CA 1.567 64.048 62.300 0.302 0.000 1.049 64 V CB -1.750 30.208 31.823 0.226 0.000 0.672 64 V HN 0.360 nan 8.190 nan 0.000 0.457 65 G N 0.334 109.210 108.800 0.126 0.000 2.446 65 G HA2 -0.248 3.705 3.960 -0.013 0.000 0.217 65 G HA3 -0.248 3.705 3.960 -0.013 0.000 0.217 65 G C 1.805 176.758 174.900 0.087 0.000 1.168 65 G CA 1.063 46.211 45.100 0.080 0.000 0.771 65 G HN 0.500 nan 8.290 nan 0.000 0.551 66 R N -1.486 119.074 120.500 0.100 0.000 2.092 66 R HA -0.056 4.277 4.340 -0.013 0.000 0.231 66 R C 2.258 178.640 176.300 0.137 0.000 1.119 66 R CA 1.001 57.147 56.100 0.076 0.000 0.970 66 R CB -0.354 29.972 30.300 0.044 0.000 0.864 66 R HN 0.477 nan 8.270 nan 0.000 0.440 67 W N 1.530 122.814 121.300 -0.028 0.000 2.335 67 W HA -0.127 4.525 4.660 -0.012 0.000 0.311 67 W C 1.667 178.162 176.519 -0.041 0.000 1.213 67 W CA 1.081 58.407 57.345 -0.032 0.000 1.274 67 W CB -0.594 28.868 29.460 0.003 0.000 1.148 67 W HN -0.008 nan 8.180 nan 0.000 0.498 68 I N 0.792 121.427 120.570 0.109 0.000 2.252 68 I HA -0.326 3.837 4.170 -0.013 0.000 0.245 68 I C 2.636 178.740 176.117 -0.021 0.000 1.102 68 I CA 1.762 63.038 61.300 -0.040 0.000 1.385 68 I CB -0.464 37.516 38.000 -0.033 0.000 1.064 68 I HN -0.047 nan 8.210 nan 0.000 0.414 69 R N -0.128 120.375 120.500 0.005 0.000 2.115 69 R HA -0.043 4.289 4.340 -0.013 0.000 0.226 69 R C 2.021 178.291 176.300 -0.051 0.000 1.100 69 R CA 1.530 57.627 56.100 -0.006 0.000 0.980 69 R CB -1.205 29.093 30.300 -0.003 0.000 0.875 69 R HN 0.232 nan 8.270 nan 0.000 0.445 70 T N 1.611 116.107 114.554 -0.098 0.000 2.674 70 T HA -0.109 4.234 4.350 -0.013 0.000 0.265 70 T C 1.860 176.287 174.700 -0.456 0.000 1.039 70 T CA 1.216 63.136 62.100 -0.300 0.000 1.150 70 T CB -0.113 68.620 68.868 -0.226 0.000 0.864 70 T HN 0.179 nan 8.240 nan 0.000 0.427 71 Q N 0.788 120.471 119.800 -0.195 0.000 2.124 71 Q HA -0.090 4.242 4.340 -0.013 0.000 0.202 71 Q C 2.367 178.380 176.000 0.021 0.000 0.977 71 Q CA 1.342 57.102 55.803 -0.070 0.000 0.850 71 Q CB -0.544 28.176 28.738 -0.030 0.000 0.901 71 Q HN 0.475 nan 8.270 nan 0.000 0.429 72 Q N 0.036 119.843 119.800 0.011 0.000 2.079 72 Q HA -0.175 4.158 4.340 -0.013 0.000 0.200 72 Q C 1.884 177.975 176.000 0.151 0.000 0.974 72 Q CA 1.984 57.841 55.803 0.089 0.000 0.840 72 Q CB -0.456 28.313 28.738 0.053 0.000 0.898 72 Q HN 0.570 nan 8.270 nan 0.000 0.430 73 H N -0.895 118.156 119.070 -0.031 0.000 2.265 73 H HA -0.203 4.346 4.556 -0.012 0.000 0.295 73 H C 1.271 176.670 175.328 0.119 0.000 1.084 73 H CA 2.496 58.536 56.048 -0.014 0.000 1.261 73 H CB -0.380 29.301 29.762 -0.135 0.000 1.360 73 H HN 0.357 nan 8.280 nan 0.000 0.487 74 Y N -0.976 119.433 120.300 0.181 0.000 2.315 74 Y HA -0.225 4.317 4.550 -0.013 0.000 0.288 74 Y C 2.426 178.382 175.900 0.095 0.000 1.154 74 Y CA 1.083 59.253 58.100 0.117 0.000 1.229 74 Y CB -1.284 37.279 38.460 0.170 0.000 0.980 74 Y HN 0.423 nan 8.280 nan 0.000 0.540 75 Y N 1.017 121.414 120.300 0.162 0.000 2.263 75 Y HA -0.120 4.423 4.550 -0.013 0.000 0.292 75 Y C 2.046 177.964 175.900 0.031 0.000 1.130 75 Y CA 1.431 59.587 58.100 0.093 0.000 1.179 75 Y CB -0.063 38.436 38.460 0.065 0.000 0.998 75 Y HN 0.026 nan 8.280 nan 0.000 0.532 76 E N 0.379 120.515 120.200 -0.106 0.000 2.008 76 E HA -0.149 4.193 4.350 -0.013 0.000 0.191 76 E C 1.979 178.447 176.600 -0.220 0.000 0.986 76 E CA 1.130 57.403 56.400 -0.212 0.000 0.807 76 E CB -0.225 29.408 29.700 -0.112 0.000 0.766 76 E HN 0.332 nan 8.360 nan 0.000 0.450 77 K N 0.879 121.146 120.400 -0.222 0.000 2.211 77 K HA -0.107 4.206 4.320 -0.013 0.000 0.203 77 K C 0.204 176.752 176.600 -0.087 0.000 1.050 77 K CA 0.687 56.871 56.287 -0.171 0.000 0.945 77 K CB -0.561 31.795 32.500 -0.240 0.000 0.732 77 K HN 0.143 nan 8.250 nan 0.000 0.451 78 D N 0.403 120.771 120.400 -0.052 0.000 2.812 78 D HA -0.102 4.530 4.640 -0.013 0.000 0.237 78 D C -2.397 173.913 176.300 0.017 0.000 1.162 78 D CA 0.098 54.094 54.000 -0.007 0.000 0.740 78 D CB -0.187 40.586 40.800 -0.045 0.000 1.000 78 D HN 0.162 nan 8.370 nan 0.000 0.416 79 P HA 0.194 nan 4.420 nan 0.000 0.284 79 P C -0.327 176.956 177.300 -0.029 0.000 1.292 79 P CA -0.765 62.328 63.100 -0.012 0.000 0.800 79 P CB 0.622 32.301 31.700 -0.035 0.000 1.188 80 K N 0.843 121.222 120.400 -0.035 0.000 2.412 80 K HA 0.084 4.396 4.320 -0.013 0.000 0.281 80 K C -0.192 176.327 176.600 -0.134 0.000 1.027 80 K CA -0.045 56.208 56.287 -0.057 0.000 0.989 80 K CB 0.213 32.692 32.500 -0.034 0.000 0.935 80 K HN 0.225 nan 8.250 nan 0.000 0.475 81 R N 3.726 124.126 120.500 -0.166 0.000 2.368 81 R HA 0.354 4.686 4.340 -0.013 0.000 0.302 81 R C -0.577 175.441 176.300 -0.469 0.000 1.002 81 R CA -0.468 55.453 56.100 -0.298 0.000 0.929 81 R CB 0.869 31.003 30.300 -0.276 0.000 1.073 81 R HN 0.513 nan 8.270 nan 0.000 0.464 82 I N 4.420 124.664 120.570 -0.544 0.000 2.339 82 I HA 0.228 4.391 4.170 -0.013 0.000 0.290 82 I C -0.671 175.148 176.117 -0.497 0.000 0.994 82 I CA -0.742 60.184 61.300 -0.623 0.000 1.191 82 I CB 0.858 38.361 38.000 -0.829 0.000 1.343 82 I HN 0.531 nan 8.210 nan 0.000 0.458 83 Y N 5.730 125.987 120.300 -0.071 0.000 2.402 83 Y HA 0.273 4.816 4.550 -0.012 0.000 0.332 83 Y C -0.239 175.765 175.900 0.173 0.000 0.960 83 Y CA -0.755 57.428 58.100 0.138 0.000 1.228 83 Y CB 1.043 39.537 38.460 0.057 0.000 1.120 83 Y HN 0.402 nan 8.280 nan 0.000 0.491 84 Y N 4.617 125.107 120.300 0.316 0.000 2.595 84 Y HA 0.423 4.966 4.550 -0.012 0.000 0.347 84 Y C -1.017 175.159 175.900 0.460 0.000 1.025 84 Y CA -0.902 57.398 58.100 0.334 0.000 1.295 84 Y CB 0.074 38.739 38.460 0.341 0.000 1.147 84 Y HN 0.508 nan 8.280 nan 0.000 0.515 85 L N 4.710 126.006 121.223 0.121 0.000 2.290 85 L HA 0.439 4.772 4.340 -0.013 0.000 0.284 85 L C -0.082 176.799 176.870 0.018 0.000 1.078 85 L CA 0.251 55.201 54.840 0.183 0.000 0.815 85 L CB 1.202 43.328 42.059 0.113 0.000 1.162 85 L HN 0.577 nan 8.230 nan 0.000 0.435 86 S N 2.697 118.489 115.700 0.153 0.000 2.535 86 S HA 0.442 4.905 4.470 -0.013 0.000 0.272 86 S C 0.055 174.716 174.600 0.101 0.000 1.149 86 S CA -0.582 57.598 58.200 -0.033 0.000 0.888 86 S CB 0.876 63.840 63.200 -0.394 0.000 1.110 86 S HN 0.444 nan 8.310 nan 0.000 0.463 87 L N 2.732 124.058 121.223 0.171 0.000 2.591 87 L HA 0.477 4.809 4.340 -0.013 0.000 0.228 87 L C 0.474 177.501 176.870 0.261 0.000 1.133 87 L CA 0.987 55.986 54.840 0.266 0.000 0.880 87 L CB -0.139 42.081 42.059 0.268 0.000 1.033 87 L HN 0.676 nan 8.230 nan 0.000 0.450 88 E N -1.398 118.825 120.200 0.039 0.000 2.292 88 E HA 0.422 4.765 4.350 -0.013 0.000 0.272 88 E C -1.416 175.036 176.600 -0.247 0.000 0.881 88 E CA -0.453 55.961 56.400 0.023 0.000 0.754 88 E CB 1.892 31.596 29.700 0.006 0.000 1.201 88 E HN -0.157 nan 8.360 nan 0.000 0.425 89 F N 2.308 122.353 119.950 0.159 0.000 3.090 89 F HA 0.164 4.683 4.527 -0.013 0.000 0.381 89 F C -0.958 174.921 175.800 0.132 0.000 1.231 89 F CA -0.698 57.391 58.000 0.148 0.000 1.177 89 F CB 0.913 39.995 39.000 0.136 0.000 1.598 89 F HN 0.478 nan 8.300 nan 0.000 0.589 90 Y N 5.120 125.499 120.300 0.132 0.000 2.570 90 Y HA 0.176 4.718 4.550 -0.012 0.000 0.336 90 Y C 1.136 177.058 175.900 0.036 0.000 1.284 90 Y CA -0.897 57.229 58.100 0.044 0.000 1.761 90 Y CB 0.229 38.698 38.460 0.015 0.000 1.724 90 Y HN 0.529 nan 8.280 nan 0.000 0.455 91 M N 1.222 120.956 119.600 0.224 0.000 2.156 91 M HA 0.090 4.563 4.480 -0.013 0.000 0.264 91 M C 1.546 177.822 176.300 -0.039 0.000 1.067 91 M CA 1.190 56.526 55.300 0.060 0.000 1.131 91 M CB -1.314 31.296 32.600 0.016 0.000 1.368 91 M HN 0.635 nan 8.290 nan 0.000 0.416 92 G N 0.938 109.727 108.800 -0.019 0.000 2.645 92 G HA2 -0.260 3.692 3.960 -0.013 0.000 0.239 92 G HA3 -0.260 3.692 3.960 -0.013 0.000 0.239 92 G C -0.525 174.328 174.900 -0.078 0.000 1.331 92 G CA -0.393 44.655 45.100 -0.086 0.000 0.890 92 G HN 0.465 nan 8.290 nan 0.000 0.572 93 R N -0.544 119.897 120.500 -0.100 0.000 2.594 93 R HA 0.505 4.837 4.340 -0.013 0.000 0.272 93 R C 1.585 177.773 176.300 -0.187 0.000 1.074 93 R CA 0.566 56.616 56.100 -0.084 0.000 1.105 93 R CB 0.676 30.930 30.300 -0.077 0.000 1.008 93 R HN 0.889 nan 8.270 nan 0.000 0.472 94 T N 0.419 114.808 114.554 -0.274 0.000 3.043 94 T HA 0.046 4.388 4.350 -0.013 0.000 0.272 94 T C 1.167 175.479 174.700 -0.647 0.000 0.990 94 T CA -0.269 61.490 62.100 -0.569 0.000 0.897 94 T CB 0.184 68.489 68.868 -0.938 0.000 1.111 94 T HN 0.353 nan 8.240 nan 0.000 0.529 95 L N 1.744 122.827 121.223 -0.233 0.000 1.988 95 L HA 0.173 4.506 4.340 -0.013 0.000 0.207 95 L C 2.613 179.454 176.870 -0.048 0.000 1.071 95 L CA 2.211 57.065 54.840 0.023 0.000 0.744 95 L CB -0.943 41.328 42.059 0.353 0.000 0.893 95 L HN 0.389 nan 8.230 nan 0.000 0.433 96 Q N -0.590 119.180 119.800 -0.050 0.000 2.050 96 Q HA -0.269 4.064 4.340 -0.013 0.000 0.202 96 Q C 2.235 178.168 176.000 -0.111 0.000 0.980 96 Q CA 2.024 57.790 55.803 -0.062 0.000 0.840 96 Q CB -0.391 28.306 28.738 -0.068 0.000 0.898 96 Q HN 0.696 nan 8.270 nan 0.000 0.424 97 N N -1.046 117.549 118.700 -0.176 0.000 2.137 97 N HA -0.159 4.573 4.740 -0.013 0.000 0.190 97 N C 1.327 176.736 175.510 -0.169 0.000 1.017 97 N CA 1.847 54.782 53.050 -0.190 0.000 0.859 97 N CB 0.022 38.360 38.487 -0.249 0.000 1.002 97 N HN 0.255 nan 8.380 nan 0.000 0.428 98 T N 1.047 115.471 114.554 -0.217 0.000 2.857 98 T HA -0.010 4.332 4.350 -0.013 0.000 0.266 98 T C 2.042 176.687 174.700 -0.092 0.000 1.048 98 T CA 0.854 62.843 62.100 -0.185 0.000 1.139 98 T CB -0.010 68.706 68.868 -0.252 0.000 0.874 98 T HN 0.266 nan 8.240 nan 0.000 0.455 99 M N 0.540 120.101 119.600 -0.065 0.000 2.132 99 M HA -0.065 4.407 4.480 -0.013 0.000 0.263 99 M C 2.444 178.716 176.300 -0.047 0.000 1.065 99 M CA 1.205 56.480 55.300 -0.041 0.000 1.122 99 M CB -0.523 32.067 32.600 -0.017 0.000 1.365 99 M HN 0.097 nan 8.290 nan 0.000 0.411 100 V N 0.845 120.735 119.914 -0.040 0.000 2.343 100 V HA -0.246 3.866 4.120 -0.013 0.000 0.247 100 V C 1.699 177.813 176.094 0.033 0.000 1.051 100 V CA 1.728 64.029 62.300 0.003 0.000 1.036 100 V CB -0.782 31.042 31.823 0.001 0.000 0.654 100 V HN 0.467 nan 8.190 nan 0.000 0.451 101 N N -0.464 118.236 118.700 -0.000 0.000 2.494 101 N HA 0.000 4.733 4.740 -0.013 0.000 0.182 101 N C 0.986 176.404 175.510 -0.153 0.000 1.076 101 N CA 0.580 53.613 53.050 -0.029 0.000 0.908 101 N CB 0.109 38.586 38.487 -0.016 0.000 0.967 101 N HN 0.270 nan 8.380 nan 0.000 0.449 102 L N -0.216 120.936 121.223 -0.118 0.000 2.808 102 L HA 0.425 4.758 4.340 -0.013 0.000 0.246 102 L C 0.444 177.238 176.870 -0.128 0.000 1.153 102 L CA -0.353 54.416 54.840 -0.118 0.000 0.956 102 L CB -0.796 41.218 42.059 -0.075 0.000 1.270 102 L HN 0.073 nan 8.230 nan 0.000 0.528 103 A N -0.367 122.375 122.820 -0.130 0.000 2.791 103 A HA -0.221 4.091 4.320 -0.013 0.000 0.292 103 A C 1.045 178.574 177.584 -0.091 0.000 1.487 103 A CA 1.017 52.989 52.037 -0.107 0.000 0.760 103 A CB -1.883 17.042 19.000 -0.126 0.000 1.031 103 A HN 0.235 nan 8.150 nan 0.000 0.503 104 L N -1.058 120.113 121.223 -0.087 0.000 2.731 104 L HA 0.265 4.598 4.340 -0.013 0.000 0.240 104 L C 1.799 178.634 176.870 -0.058 0.000 1.120 104 L CA 1.485 56.268 54.840 -0.096 0.000 0.913 104 L CB -0.187 41.792 42.059 -0.132 0.000 1.213 104 L HN 0.612 nan 8.230 nan 0.000 0.515 105 E N -0.140 120.036 120.200 -0.040 0.000 2.070 105 E HA -0.251 4.091 4.350 -0.013 0.000 0.197 105 E C 1.614 178.201 176.600 -0.021 0.000 1.004 105 E CA 1.619 58.006 56.400 -0.023 0.000 0.805 105 E CB 0.246 29.935 29.700 -0.018 0.000 0.744 105 E HN 0.386 nan 8.360 nan 0.000 0.451 106 N N -0.180 118.504 118.700 -0.027 0.000 2.171 106 N HA -0.087 4.645 4.740 -0.013 0.000 0.184 106 N C 1.527 177.020 175.510 -0.028 0.000 1.021 106 N CA 1.211 54.243 53.050 -0.029 0.000 0.854 106 N CB -0.395 38.074 38.487 -0.030 0.000 0.994 106 N HN 0.231 nan 8.380 nan 0.000 0.426 107 A N 0.345 123.146 122.820 -0.031 0.000 1.883 107 A HA -0.162 4.151 4.320 -0.013 0.000 0.217 107 A C 2.660 180.235 177.584 -0.015 0.000 1.186 107 A CA 1.421 53.442 52.037 -0.027 0.000 0.624 107 A CB -1.071 17.903 19.000 -0.043 0.000 0.822 107 A HN 0.441 nan 8.150 nan 0.000 0.444 108 C N -0.930 118.361 119.300 -0.014 0.000 2.440 108 C HA -0.068 4.385 4.460 -0.013 0.000 0.278 108 C C 2.489 177.482 174.990 0.004 0.000 1.295 108 C CA 1.097 60.119 59.018 0.006 0.000 1.738 108 C CB -1.084 26.670 27.740 0.024 0.000 1.987 108 C HN 0.668 nan 8.230 nan 0.000 0.492 109 D N 0.563 120.965 120.400 0.002 0.000 2.117 109 D HA -0.137 4.496 4.640 -0.013 0.000 0.197 109 D C 2.117 178.430 176.300 0.020 0.000 0.987 109 D CA 1.514 55.518 54.000 0.007 0.000 0.829 109 D CB -0.237 40.556 40.800 -0.013 0.000 0.961 109 D HN 0.498 nan 8.370 nan 0.000 0.460 110 E N 0.531 120.733 120.200 0.003 0.000 2.017 110 E HA -0.083 4.259 4.350 -0.013 0.000 0.193 110 E C 1.938 178.582 176.600 0.073 0.000 0.997 110 E CA 1.820 58.236 56.400 0.027 0.000 0.804 110 E CB -0.661 29.038 29.700 -0.001 0.000 0.757 110 E HN 0.165 nan 8.360 nan 0.000 0.448 111 A N -0.100 122.730 122.820 0.017 0.000 1.892 111 A HA -0.262 4.050 4.320 -0.013 0.000 0.218 111 A C 2.511 180.034 177.584 -0.100 0.000 1.188 111 A CA 3.217 55.240 52.037 -0.024 0.000 0.631 111 A CB -1.621 17.365 19.000 -0.023 0.000 0.822 111 A HN 0.557 nan 8.150 nan 0.000 0.447 112 T N -3.849 110.636 114.554 -0.116 0.000 2.867 112 T HA -0.187 4.155 4.350 -0.013 0.000 0.268 112 T C 1.798 176.417 174.700 -0.136 0.000 1.057 112 T CA 1.465 63.431 62.100 -0.224 0.000 1.136 112 T CB -0.529 68.245 68.868 -0.155 0.000 0.874 112 T HN 0.508 nan 8.240 nan 0.000 0.466 113 Y N 2.052 122.272 120.300 -0.133 0.000 2.145 113 Y HA -0.061 4.482 4.550 -0.012 0.000 0.286 113 Y C 2.664 178.502 175.900 -0.103 0.000 1.145 113 Y CA 1.511 59.551 58.100 -0.099 0.000 1.148 113 Y CB -0.500 37.921 38.460 -0.064 0.000 0.981 113 Y HN 0.194 nan 8.280 nan 0.000 0.507 114 Q N -0.761 119.003 119.800 -0.059 0.000 2.226 114 Q HA -0.143 4.189 4.340 -0.013 0.000 0.204 114 Q C 1.552 177.434 176.000 -0.197 0.000 0.975 114 Q CA 0.945 56.670 55.803 -0.130 0.000 0.866 114 Q CB -0.086 28.647 28.738 -0.008 0.000 0.915 114 Q HN 0.362 nan 8.270 nan 0.000 0.440 115 L N -0.914 120.170 121.223 -0.231 0.000 2.599 115 L HA 0.126 4.458 4.340 -0.013 0.000 0.230 115 L C 1.095 177.795 176.870 -0.283 0.000 1.141 115 L CA 1.256 55.939 54.840 -0.263 0.000 0.877 115 L CB -0.457 41.351 42.059 -0.418 0.000 1.009 115 L HN 0.324 nan 8.230 nan 0.000 0.447 116 G N -0.050 108.562 108.800 -0.312 0.000 2.182 116 G HA2 -0.248 3.704 3.960 -0.013 0.000 0.248 116 G HA3 -0.248 3.704 3.960 -0.013 0.000 0.248 116 G C 0.027 174.771 174.900 -0.259 0.000 1.042 116 G CA 0.381 45.299 45.100 -0.303 0.000 0.775 116 G HN 0.303 nan 8.290 nan 0.000 0.501 117 L N -0.527 120.545 121.223 -0.252 0.000 2.341 117 L HA 0.648 4.981 4.340 -0.013 0.000 0.267 117 L C -0.554 176.273 176.870 -0.072 0.000 1.009 117 L CA -1.236 53.491 54.840 -0.189 0.000 0.819 117 L CB 1.890 43.779 42.059 -0.284 0.000 1.323 117 L HN 0.073 nan 8.230 nan 0.000 0.425 118 D N 1.649 122.040 120.400 -0.015 0.000 2.373 118 D HA 0.194 4.826 4.640 -0.013 0.000 0.227 118 D C 0.616 176.945 176.300 0.048 0.000 1.091 118 D CA -0.285 53.737 54.000 0.037 0.000 0.840 118 D CB 1.563 42.390 40.800 0.045 0.000 1.060 118 D HN 0.524 nan 8.370 nan 0.000 0.502 119 M N 3.275 122.906 119.600 0.051 0.000 2.080 119 M HA -0.180 4.293 4.480 -0.013 0.000 0.260 119 M C 1.473 177.817 176.300 0.073 0.000 1.068 119 M CA 1.643 56.982 55.300 0.065 0.000 1.109 119 M CB 0.139 32.771 32.600 0.054 0.000 1.342 119 M HN 0.430 nan 8.290 nan 0.000 0.405 120 E N -0.295 119.940 120.200 0.058 0.000 2.118 120 E HA -0.282 4.060 4.350 -0.013 0.000 0.195 120 E C 1.895 178.530 176.600 0.057 0.000 0.992 120 E CA 1.621 58.053 56.400 0.053 0.000 0.804 120 E CB -0.212 29.517 29.700 0.049 0.000 0.741 120 E HN 0.649 nan 8.360 nan 0.000 0.458 121 E N 0.233 120.470 120.200 0.062 0.000 2.106 121 E HA -0.188 4.155 4.350 -0.013 0.000 0.192 121 E C 1.890 178.532 176.600 0.069 0.000 0.984 121 E CA 0.522 56.958 56.400 0.061 0.000 0.806 121 E CB 0.192 29.929 29.700 0.063 0.000 0.750 121 E HN 0.079 nan 8.360 nan 0.000 0.458 122 L N 1.164 122.449 121.223 0.103 0.000 2.109 122 L HA -0.081 4.252 4.340 -0.013 0.000 0.207 122 L C 2.012 178.937 176.870 0.091 0.000 1.086 122 L CA 1.529 56.461 54.840 0.154 0.000 0.760 122 L CB -0.494 41.712 42.059 0.244 0.000 0.910 122 L HN 0.099 nan 8.230 nan 0.000 0.437 123 E N -0.670 119.575 120.200 0.076 0.000 2.153 123 E HA -0.194 4.149 4.350 -0.013 0.000 0.194 123 E C 1.823 178.380 176.600 -0.071 0.000 0.988 123 E CA 0.747 57.162 56.400 0.025 0.000 0.811 123 E CB 0.079 29.802 29.700 0.038 0.000 0.746 123 E HN 0.358 nan 8.360 nan 0.000 0.466 124 E N 0.126 120.302 120.200 -0.040 0.000 2.338 124 E HA -0.120 4.222 4.350 -0.013 0.000 0.197 124 E C 1.775 178.308 176.600 -0.112 0.000 1.007 124 E CA 0.587 56.963 56.400 -0.039 0.000 0.849 124 E CB 0.068 29.777 29.700 0.016 0.000 0.774 124 E HN 0.397 nan 8.360 nan 0.000 0.506 125 I N 0.766 121.206 120.570 -0.215 0.000 2.876 125 I HA -0.091 4.071 4.170 -0.013 0.000 0.264 125 I C 1.281 177.081 176.117 -0.528 0.000 1.204 125 I CA 0.169 61.276 61.300 -0.321 0.000 1.485 125 I CB 0.175 37.996 38.000 -0.298 0.000 1.103 125 I HN -0.052 nan 8.210 nan 0.000 0.446 126 E N 2.483 122.265 120.200 -0.696 0.000 2.366 126 E HA -0.055 4.287 4.350 -0.013 0.000 0.266 126 E C 0.059 176.552 176.600 -0.179 0.000 1.015 126 E CA -0.149 55.888 56.400 -0.605 0.000 0.906 126 E CB 0.553 30.015 29.700 -0.397 0.000 0.979 126 E HN 0.108 nan 8.360 nan 0.000 0.443 127 E N 3.219 123.398 120.200 -0.035 0.000 2.383 127 E HA 0.039 4.381 4.350 -0.013 0.000 0.264 127 E C -1.044 175.653 176.600 0.160 0.000 1.050 127 E CA -0.250 56.217 56.400 0.113 0.000 0.896 127 E CB 0.742 30.586 29.700 0.241 0.000 0.982 127 E HN 0.392 nan 8.360 nan 0.000 0.424 128 D N 1.512 121.993 120.400 0.135 0.000 2.345 128 D HA 0.273 4.906 4.640 -0.013 0.000 0.247 128 D C -0.861 175.495 176.300 0.093 0.000 1.108 128 D CA 0.183 54.239 54.000 0.092 0.000 0.894 128 D CB 1.055 41.892 40.800 0.062 0.000 1.203 128 D HN 0.444 nan 8.370 nan 0.000 0.430 129 A N 2.434 125.262 122.820 0.013 0.000 2.922 129 A HA 0.445 4.757 4.320 -0.013 0.000 0.298 129 A C 1.018 178.470 177.584 -0.220 0.000 1.588 129 A CA -0.464 51.422 52.037 -0.252 0.000 1.288 129 A CB -0.423 18.497 19.000 -0.134 0.000 1.130 129 A HN 0.536 nan 8.150 nan 0.000 0.557 130 G N 1.539 110.172 108.800 -0.277 0.000 3.455 130 G HA2 0.379 4.332 3.960 -0.013 0.000 0.250 130 G HA3 0.379 4.332 3.960 -0.013 0.000 0.250 130 G C 0.319 175.000 174.900 -0.365 0.000 1.071 130 G CA -0.264 44.732 45.100 -0.173 0.000 1.812 130 G HN 0.681 nan 8.290 nan 0.000 0.643 131 L N 1.419 122.470 121.223 -0.287 0.000 2.998 131 L HA 0.411 4.744 4.340 -0.013 0.000 0.234 131 L C 0.989 177.789 176.870 -0.116 0.000 1.350 131 L CA -0.275 54.496 54.840 -0.116 0.000 1.202 131 L CB -0.375 41.719 42.059 0.059 0.000 1.583 131 L HN 0.315 nan 8.230 nan 0.000 0.456 132 G N -1.095 107.412 108.800 -0.489 0.000 2.623 132 G HA2 0.209 4.161 3.960 -0.013 0.000 0.290 132 G HA3 0.209 4.161 3.960 -0.013 0.000 0.290 132 G C -0.232 174.200 174.900 -0.781 0.000 1.437 132 G CA -0.441 44.331 45.100 -0.548 0.000 0.798 132 G HN -0.042 nan 8.290 nan 0.000 0.488 133 N N -0.901 117.564 118.700 -0.392 0.000 2.499 133 N HA 0.232 4.964 4.740 -0.013 0.000 0.182 133 N C 1.128 176.622 175.510 -0.026 0.000 1.034 133 N CA 1.216 54.136 53.050 -0.217 0.000 0.882 133 N CB 1.455 39.922 38.487 -0.033 0.000 1.125 133 N HN 0.813 nan 8.380 nan 0.000 0.436 134 G N -0.576 108.289 108.800 0.109 0.000 2.947 134 G HA2 0.214 4.167 3.960 -0.013 0.000 0.115 134 G HA3 0.214 4.167 3.960 -0.013 0.000 0.115 134 G C 0.744 175.773 174.900 0.214 0.000 1.214 134 G CA 0.279 45.532 45.100 0.256 0.000 1.324 134 G HN 0.165 nan 8.290 nan 0.000 0.645 135 G N 0.469 109.341 108.800 0.120 0.000 2.491 135 G HA2 -0.134 3.819 3.960 -0.013 0.000 0.218 135 G HA3 -0.134 3.819 3.960 -0.013 0.000 0.218 135 G C 1.892 176.798 174.900 0.009 0.000 1.180 135 G CA 1.537 46.669 45.100 0.054 0.000 0.774 135 G HN 0.749 nan 8.290 nan 0.000 0.562 136 L N 0.653 121.861 121.223 -0.025 0.000 2.017 136 L HA 0.057 4.389 4.340 -0.013 0.000 0.208 136 L C 2.884 179.705 176.870 -0.083 0.000 1.073 136 L CA 2.060 56.813 54.840 -0.145 0.000 0.745 136 L CB -0.597 41.355 42.059 -0.178 0.000 0.894 136 L HN 0.254 nan 8.230 nan 0.000 0.432 137 G N -0.862 107.943 108.800 0.008 0.000 2.408 137 G HA2 -0.248 3.705 3.960 -0.013 0.000 0.217 137 G HA3 -0.248 3.705 3.960 -0.013 0.000 0.217 137 G C 1.706 176.690 174.900 0.141 0.000 1.150 137 G CA 0.276 45.404 45.100 0.047 0.000 0.776 137 G HN 0.178 nan 8.290 nan 0.000 0.542 138 R N -0.035 120.578 120.500 0.187 0.000 2.115 138 R HA 0.114 4.447 4.340 -0.013 0.000 0.226 138 R C 2.482 178.798 176.300 0.026 0.000 1.100 138 R CA 0.646 56.829 56.100 0.138 0.000 0.980 138 R CB -0.928 29.419 30.300 0.078 0.000 0.875 138 R HN 0.407 nan 8.270 nan 0.000 0.445 139 L N 0.740 121.913 121.223 -0.085 0.000 2.012 139 L HA -0.124 4.208 4.340 -0.013 0.000 0.210 139 L C 2.221 178.824 176.870 -0.445 0.000 1.073 139 L CA 2.264 56.919 54.840 -0.308 0.000 0.748 139 L CB -0.765 41.074 42.059 -0.366 0.000 0.891 139 L HN 0.182 nan 8.230 nan 0.000 0.431 140 A N -0.593 122.090 122.820 -0.229 0.000 1.917 140 A HA -0.206 4.106 4.320 -0.013 0.000 0.219 140 A C 2.442 180.089 177.584 0.105 0.000 1.182 140 A CA 2.099 54.083 52.037 -0.089 0.000 0.633 140 A CB -1.225 17.721 19.000 -0.089 0.000 0.819 140 A HN 0.598 nan 8.150 nan 0.000 0.448 141 A N -1.223 121.694 122.820 0.162 0.000 1.898 141 A HA -0.153 4.159 4.320 -0.013 0.000 0.216 141 A C 2.312 179.970 177.584 0.124 0.000 1.181 141 A CA 1.648 53.797 52.037 0.186 0.000 0.620 141 A CB -1.240 17.858 19.000 0.164 0.000 0.819 141 A HN 0.604 nan 8.150 nan 0.000 0.442 142 C N -1.561 117.811 119.300 0.119 0.000 2.440 142 C HA -0.032 4.421 4.460 -0.013 0.000 0.278 142 C C 2.416 177.565 174.990 0.264 0.000 1.295 142 C CA 0.502 59.627 59.018 0.178 0.000 1.738 142 C CB -1.580 26.286 27.740 0.210 0.000 1.987 142 C HN 0.602 nan 8.230 nan 0.000 0.492 143 F N 0.543 120.482 119.950 -0.018 0.000 2.102 143 F HA -0.072 4.447 4.527 -0.013 0.000 0.298 143 F C 2.129 177.874 175.800 -0.092 0.000 1.105 143 F CA 1.087 59.025 58.000 -0.103 0.000 1.239 143 F CB -1.390 37.414 39.000 -0.326 0.000 0.991 143 F HN 0.080 nan 8.300 nan 0.000 0.474 144 L N 0.436 121.737 121.223 0.130 0.000 2.012 144 L HA -0.252 4.081 4.340 -0.013 0.000 0.210 144 L C 2.410 179.294 176.870 0.024 0.000 1.073 144 L CA 1.968 56.839 54.840 0.052 0.000 0.748 144 L CB -1.262 40.832 42.059 0.057 0.000 0.891 144 L HN 0.212 nan 8.230 nan 0.000 0.431 145 D N -1.393 119.029 120.400 0.038 0.000 2.117 145 D HA -0.167 4.466 4.640 -0.013 0.000 0.197 145 D C 1.899 178.217 176.300 0.030 0.000 0.987 145 D CA 1.519 55.526 54.000 0.013 0.000 0.829 145 D CB 0.435 41.239 40.800 0.007 0.000 0.961 145 D HN 0.320 nan 8.370 nan 0.000 0.460 146 S N -0.159 115.577 115.700 0.060 0.000 2.371 146 S HA -0.045 4.418 4.470 -0.013 0.000 0.224 146 S C 2.118 176.735 174.600 0.028 0.000 1.029 146 S CA 0.680 58.909 58.200 0.050 0.000 0.978 146 S CB -0.090 63.150 63.200 0.067 0.000 0.833 146 S HN 0.331 nan 8.310 nan 0.000 0.466 147 M N 0.918 120.527 119.600 0.016 0.000 2.213 147 M HA -0.082 4.391 4.480 -0.013 0.000 0.263 147 M C 2.351 178.650 176.300 -0.001 0.000 1.062 147 M CA 1.299 56.603 55.300 0.006 0.000 1.105 147 M CB -0.418 32.168 32.600 -0.023 0.000 1.385 147 M HN 0.393 nan 8.290 nan 0.000 0.417 148 A N -0.429 122.389 122.820 -0.004 0.000 1.897 148 A HA -0.096 4.216 4.320 -0.013 0.000 0.215 148 A C 2.141 179.736 177.584 0.017 0.000 1.181 148 A CA 1.821 53.856 52.037 -0.003 0.000 0.620 148 A CB -0.967 18.018 19.000 -0.026 0.000 0.821 148 A HN 0.388 nan 8.150 nan 0.000 0.443 149 T N 0.297 114.869 114.554 0.030 0.000 2.915 149 T HA 0.024 4.367 4.350 -0.013 0.000 0.269 149 T C 1.256 175.984 174.700 0.047 0.000 1.071 149 T CA 0.983 63.115 62.100 0.053 0.000 1.132 149 T CB -0.251 68.659 68.868 0.071 0.000 0.878 149 T HN 0.326 nan 8.240 nan 0.000 0.479 150 L N 0.449 121.695 121.223 0.039 0.000 2.653 150 L HA 0.311 4.643 4.340 -0.013 0.000 0.231 150 L C 1.519 178.413 176.870 0.041 0.000 1.153 150 L CA -0.181 54.683 54.840 0.040 0.000 0.933 150 L CB -0.364 41.720 42.059 0.042 0.000 1.175 150 L HN 0.360 nan 8.230 nan 0.000 0.473 151 G N 1.446 110.271 108.800 0.041 0.000 2.323 151 G HA2 -0.286 3.667 3.960 -0.013 0.000 0.292 151 G HA3 -0.286 3.667 3.960 -0.013 0.000 0.292 151 G C 0.005 174.931 174.900 0.044 0.000 1.040 151 G CA 0.089 45.224 45.100 0.059 0.000 0.942 151 G HN 0.291 nan 8.290 nan 0.000 0.506 152 L N -0.188 121.035 121.223 -0.001 0.000 2.307 152 L HA 0.614 4.946 4.340 -0.013 0.000 0.282 152 L C 1.196 177.920 176.870 -0.244 0.000 1.051 152 L CA -0.472 54.319 54.840 -0.083 0.000 0.804 152 L CB 1.732 43.764 42.059 -0.044 0.000 1.197 152 L HN 0.279 nan 8.230 nan 0.000 0.431 153 A N 3.341 125.878 122.820 -0.471 0.000 3.026 153 A HA 0.527 4.840 4.320 -0.013 0.000 0.272 153 A C 0.403 177.625 177.584 -0.602 0.000 1.782 153 A CA -0.113 51.376 52.037 -0.913 0.000 1.451 153 A CB -0.703 17.683 19.000 -1.022 0.000 1.081 153 A HN 0.695 nan 8.150 nan 0.000 0.611 154 A N 1.346 123.863 122.820 -0.505 0.000 2.325 154 A HA 0.782 5.095 4.320 -0.013 0.000 0.333 154 A C -0.955 176.363 177.584 -0.444 0.000 1.155 154 A CA -0.460 51.342 52.037 -0.392 0.000 0.814 154 A CB 0.702 19.551 19.000 -0.251 0.000 1.206 154 A HN 0.608 nan 8.150 nan 0.000 0.482 155 Y N 0.383 120.636 120.300 -0.079 0.000 2.361 155 Y HA 0.537 5.079 4.550 -0.012 0.000 0.337 155 Y C 0.854 176.868 175.900 0.190 0.000 0.965 155 Y CA -0.575 57.561 58.100 0.061 0.000 1.091 155 Y CB 2.335 40.927 38.460 0.220 0.000 1.182 155 Y HN 0.826 nan 8.280 nan 0.000 0.450 156 G N 2.167 111.070 108.800 0.171 0.000 2.338 156 G HA2 0.441 4.393 3.960 -0.013 0.000 0.298 156 G HA3 0.441 4.393 3.960 -0.013 0.000 0.298 156 G C -1.757 173.172 174.900 0.048 0.000 1.140 156 G CA -0.241 44.979 45.100 0.200 0.000 0.860 156 G HN 0.533 nan 8.290 nan 0.000 0.470 157 Y N 1.011 121.544 120.300 0.388 0.000 2.361 157 Y HA 0.622 5.164 4.550 -0.013 0.000 0.337 157 Y C 0.726 176.942 175.900 0.526 0.000 0.965 157 Y CA 0.206 58.507 58.100 0.336 0.000 1.091 157 Y CB 2.643 41.322 38.460 0.365 0.000 1.182 157 Y HN 0.888 nan 8.280 nan 0.000 0.450 158 G N 2.473 111.603 108.800 0.549 0.000 2.753 158 G HA2 0.563 4.516 3.960 -0.013 0.000 0.303 158 G HA3 0.563 4.516 3.960 -0.013 0.000 0.303 158 G C -1.741 173.415 174.900 0.427 0.000 1.242 158 G CA -0.813 44.645 45.100 0.597 0.000 0.810 158 G HN 0.419 nan 8.290 nan 0.000 0.515 159 I N 0.510 121.224 120.570 0.240 0.000 2.493 159 I HA 0.440 4.602 4.170 -0.013 0.000 0.298 159 I C 0.173 176.198 176.117 -0.154 0.000 0.998 159 I CA -0.745 60.583 61.300 0.047 0.000 1.137 159 I CB 2.213 40.040 38.000 -0.288 0.000 1.310 159 I HN 0.386 nan 8.210 nan 0.000 0.445 160 R N 5.968 126.469 120.500 0.002 0.000 2.870 160 R HA 0.256 4.588 4.340 -0.013 0.000 0.254 160 R C -1.304 175.044 176.300 0.079 0.000 1.392 160 R CA -0.461 55.671 56.100 0.054 0.000 1.322 160 R CB -0.035 30.278 30.300 0.022 0.000 1.205 160 R HN 0.386 nan 8.270 nan 0.000 0.597 161 Y N 1.680 122.128 120.300 0.247 0.000 2.425 161 Y HA -0.036 4.506 4.550 -0.013 0.000 0.331 161 Y C 1.496 177.570 175.900 0.291 0.000 1.157 161 Y CA -0.095 58.141 58.100 0.226 0.000 1.372 161 Y CB 0.913 39.484 38.460 0.185 0.000 1.253 161 Y HN 0.559 nan 8.280 nan 0.000 0.536 162 E N 1.279 121.656 120.200 0.295 0.000 2.435 162 E HA 0.031 4.373 4.350 -0.013 0.000 0.195 162 E C -0.777 175.722 176.600 -0.169 0.000 1.029 162 E CA 0.492 56.899 56.400 0.011 0.000 0.865 162 E CB 0.076 29.591 29.700 -0.307 0.000 0.833 162 E HN 0.440 nan 8.360 nan 0.000 0.510 163 F N 1.158 121.346 119.950 0.397 0.000 2.496 163 F HA 0.462 4.981 4.527 -0.013 0.000 0.341 163 F C 0.860 176.744 175.800 0.139 0.000 1.134 163 F CA -1.091 57.081 58.000 0.287 0.000 0.968 163 F CB 2.039 41.139 39.000 0.165 0.000 1.205 163 F HN -0.061 nan 8.300 nan 0.000 0.436 164 G N 1.979 110.886 108.800 0.178 0.000 2.504 164 G HA2 0.313 4.265 3.960 -0.013 0.000 0.257 164 G HA3 0.313 4.265 3.960 -0.013 0.000 0.257 164 G C -0.476 174.383 174.900 -0.068 0.000 1.451 164 G CA -0.656 44.394 45.100 -0.082 0.000 1.059 164 G HN 0.517 nan 8.290 nan 0.000 0.550 165 I N 0.902 121.355 120.570 -0.195 0.000 2.775 165 I HA 0.216 4.378 4.170 -0.013 0.000 0.290 165 I C 0.574 176.594 176.117 -0.163 0.000 1.203 165 I CA -1.096 60.060 61.300 -0.240 0.000 1.433 165 I CB -0.259 37.501 38.000 -0.400 0.000 1.354 165 I HN 0.338 nan 8.210 nan 0.000 0.579 166 F N 6.318 126.278 119.950 0.016 0.000 2.589 166 F HA 0.233 4.753 4.527 -0.012 0.000 0.352 166 F C 0.451 176.300 175.800 0.082 0.000 1.168 166 F CA -0.477 57.554 58.000 0.052 0.000 1.353 166 F CB -0.262 38.755 39.000 0.029 0.000 1.116 166 F HN 0.431 nan 8.300 nan 0.000 0.608 167 N N 2.236 121.119 118.700 0.305 0.000 2.472 167 N HA 0.069 4.801 4.740 -0.013 0.000 0.277 167 N C -0.868 174.881 175.510 0.399 0.000 1.081 167 N CA -0.349 52.846 53.050 0.242 0.000 0.973 167 N CB 1.313 39.932 38.487 0.220 0.000 1.105 167 N HN 0.776 nan 8.380 nan 0.000 0.470 168 Q N 2.433 122.440 119.800 0.345 0.000 2.256 168 Q HA 0.210 4.543 4.340 -0.013 0.000 0.254 168 Q C -0.990 175.186 176.000 0.293 0.000 0.916 168 Q CA -0.257 55.791 55.803 0.408 0.000 0.932 168 Q CB 0.817 29.800 28.738 0.408 0.000 1.207 168 Q HN 0.266 nan 8.270 nan 0.000 0.426 169 K N 4.359 124.906 120.400 0.246 0.000 2.324 169 K HA 0.439 4.751 4.320 -0.013 0.000 0.253 169 K C -0.921 175.781 176.600 0.171 0.000 0.932 169 K CA -0.937 55.470 56.287 0.199 0.000 0.799 169 K CB 1.596 34.191 32.500 0.158 0.000 1.154 169 K HN 0.633 nan 8.250 nan 0.000 0.425 170 I N 2.691 123.357 120.570 0.161 0.000 2.307 170 I HA 0.194 4.356 4.170 -0.013 0.000 0.289 170 I C -0.114 176.065 176.117 0.103 0.000 1.021 170 I CA -0.708 60.656 61.300 0.108 0.000 1.224 170 I CB 0.581 38.627 38.000 0.076 0.000 1.376 170 I HN 0.464 nan 8.210 nan 0.000 0.470 171 C N 4.248 123.620 119.300 0.120 0.000 2.301 171 C HA 0.577 5.029 4.460 -0.013 0.000 0.323 171 C C 1.216 176.308 174.990 0.171 0.000 1.265 171 C CA -0.268 58.825 59.018 0.125 0.000 1.503 171 C CB 0.425 28.233 27.740 0.114 0.000 2.195 171 C HN 1.084 nan 8.230 nan 0.000 0.477 172 G N 2.817 111.688 108.800 0.119 0.000 2.283 172 G HA2 0.070 4.022 3.960 -0.013 0.000 0.280 172 G HA3 0.070 4.022 3.960 -0.013 0.000 0.280 172 G C 1.093 176.009 174.900 0.026 0.000 1.029 172 G CA 1.019 46.194 45.100 0.125 0.000 0.840 172 G HN 2.335 nan 8.290 nan 0.000 0.505 173 G N -3.055 105.705 108.800 -0.067 0.000 2.176 173 G HA2 -0.285 3.668 3.960 -0.013 0.000 0.253 173 G HA3 -0.285 3.668 3.960 -0.013 0.000 0.253 173 G C 0.332 174.977 174.900 -0.424 0.000 0.979 173 G CA 0.624 45.556 45.100 -0.281 0.000 0.641 173 G HN 1.180 nan 8.290 nan 0.000 0.530 174 W N 0.746 121.993 121.300 -0.088 0.000 2.570 174 W HA 0.673 5.326 4.660 -0.012 0.000 0.337 174 W C 0.588 177.057 176.519 -0.083 0.000 1.067 174 W CA -0.913 56.374 57.345 -0.097 0.000 1.229 174 W CB 0.868 30.286 29.460 -0.069 0.000 1.355 174 W HN 0.253 nan 8.180 nan 0.000 0.555 175 Q N 2.780 122.687 119.800 0.177 0.000 2.314 175 Q HA 0.299 4.632 4.340 -0.013 0.000 0.258 175 Q C -0.680 175.379 176.000 0.099 0.000 0.954 175 Q CA 0.069 55.941 55.803 0.116 0.000 0.890 175 Q CB 0.632 29.430 28.738 0.101 0.000 1.210 175 Q HN 0.309 nan 8.270 nan 0.000 0.410 176 M N 3.127 122.780 119.600 0.088 0.000 2.321 176 M HA 0.382 4.855 4.480 -0.013 0.000 0.315 176 M C -1.253 175.056 176.300 0.015 0.000 1.052 176 M CA -0.647 54.672 55.300 0.033 0.000 0.936 176 M CB 1.767 34.402 32.600 0.059 0.000 1.639 176 M HN 0.626 nan 8.290 nan 0.000 0.433 177 E N 1.818 121.951 120.200 -0.111 0.000 2.191 177 E HA 0.531 4.874 4.350 -0.013 0.000 0.278 177 E C -0.638 175.944 176.600 -0.031 0.000 0.972 177 E CA -0.571 55.723 56.400 -0.177 0.000 0.804 177 E CB 1.804 31.116 29.700 -0.646 0.000 1.110 177 E HN 0.531 nan 8.360 nan 0.000 0.394 178 E N 1.440 121.702 120.200 0.104 0.000 2.308 178 E HA 0.619 4.961 4.350 -0.013 0.000 0.275 178 E C -1.178 175.509 176.600 0.145 0.000 0.890 178 E CA -1.292 55.162 56.400 0.091 0.000 0.754 178 E CB 1.338 31.099 29.700 0.102 0.000 1.207 178 E HN 0.527 nan 8.360 nan 0.000 0.426 179 A N 2.968 125.827 122.820 0.065 0.000 2.587 179 A HA -0.004 4.309 4.320 -0.013 0.000 0.235 179 A C 0.051 177.785 177.584 0.250 0.000 1.044 179 A CA 0.807 52.888 52.037 0.072 0.000 0.754 179 A CB -0.043 18.858 19.000 -0.164 0.000 0.968 179 A HN 0.700 nan 8.150 nan 0.000 0.509 180 D N 1.551 122.176 120.400 0.374 0.000 2.500 180 D HA 0.198 4.830 4.640 -0.013 0.000 0.219 180 D C -0.552 176.097 176.300 0.583 0.000 1.137 180 D CA -0.275 53.965 54.000 0.400 0.000 0.946 180 D CB 0.394 41.367 40.800 0.289 0.000 1.022 180 D HN 0.356 nan 8.370 nan 0.000 0.518 181 D N 3.979 124.686 120.400 0.510 0.000 2.688 181 D HA -0.025 4.607 4.640 -0.013 0.000 0.228 181 D C 1.092 177.561 176.300 0.281 0.000 1.116 181 D CA -0.529 53.702 54.000 0.385 0.000 1.023 181 D CB -0.120 40.891 40.800 0.351 0.000 1.100 181 D HN 0.594 nan 8.370 nan 0.000 0.487 182 W N 2.273 123.635 121.300 0.102 0.000 2.611 182 W HA -0.051 4.602 4.660 -0.013 0.000 0.251 182 W C 0.168 176.756 176.519 0.116 0.000 1.265 182 W CA 0.071 57.487 57.345 0.118 0.000 1.295 182 W CB -0.746 28.780 29.460 0.110 0.000 1.129 182 W HN 0.202 nan 8.180 nan 0.000 0.630 183 L N 0.783 121.677 121.223 -0.548 0.000 2.640 183 L HA 0.179 4.512 4.340 -0.013 0.000 0.230 183 L C 2.748 179.484 176.870 -0.223 0.000 1.123 183 L CA -0.027 54.468 54.840 -0.576 0.000 0.900 183 L CB -0.602 40.991 42.059 -0.777 0.000 1.146 183 L HN -0.120 nan 8.230 nan 0.000 0.484 184 R N 0.833 121.272 120.500 -0.103 0.000 2.159 184 R HA -0.259 4.073 4.340 -0.013 0.000 0.252 184 R C 1.392 177.558 176.300 -0.223 0.000 1.144 184 R CA 2.304 58.328 56.100 -0.128 0.000 0.961 184 R CB -0.279 29.989 30.300 -0.052 0.000 0.877 184 R HN 0.332 nan 8.270 nan 0.000 0.444 185 Y N -0.677 119.636 120.300 0.021 0.000 2.458 185 Y HA 0.327 4.870 4.550 -0.012 0.000 0.256 185 Y C 0.836 176.725 175.900 -0.019 0.000 1.159 185 Y CA 0.353 58.471 58.100 0.030 0.000 1.261 185 Y CB 1.196 39.773 38.460 0.195 0.000 1.119 185 Y HN 0.482 nan 8.280 nan 0.000 0.524 186 G N 1.275 110.124 108.800 0.082 0.000 2.619 186 G HA2 -0.201 3.752 3.960 -0.013 0.000 0.686 186 G HA3 -0.201 3.752 3.960 -0.013 0.000 0.686 186 G C -1.423 173.543 174.900 0.110 0.000 1.256 186 G CA -0.872 44.239 45.100 0.019 0.000 0.826 186 G HN 0.185 nan 8.290 nan 0.000 0.619 187 N N 1.074 119.788 118.700 0.024 0.000 2.573 187 N HA 0.545 5.278 4.740 -0.013 0.000 0.262 187 N C -0.893 174.615 175.510 -0.003 0.000 1.029 187 N CA -1.946 51.138 53.050 0.057 0.000 0.882 187 N CB 2.124 40.590 38.487 -0.035 0.000 1.204 187 N HN 0.250 nan 8.380 nan 0.000 0.519 188 P HA 0.028 nan 4.420 nan 0.000 0.234 188 P C 0.570 177.504 177.300 -0.610 0.000 1.167 188 P CA 0.667 63.440 63.100 -0.545 0.000 0.763 188 P CB 0.108 31.209 31.700 -0.998 0.000 0.835 189 W N 1.721 123.031 121.300 0.016 0.000 2.539 189 W HA 0.071 4.724 4.660 -0.012 0.000 0.281 189 W C 1.358 177.917 176.519 0.067 0.000 1.220 189 W CA -0.322 57.029 57.345 0.010 0.000 1.332 189 W CB -0.313 29.153 29.460 0.011 0.000 1.095 189 W HN -0.040 nan 8.180 nan 0.000 0.571 190 E N 1.943 122.321 120.200 0.296 0.000 2.374 190 E HA 0.239 4.582 4.350 -0.013 0.000 0.260 190 E C -0.539 176.237 176.600 0.293 0.000 1.101 190 E CA -0.471 56.114 56.400 0.308 0.000 0.907 190 E CB 1.107 30.998 29.700 0.319 0.000 1.014 190 E HN -0.303 nan 8.360 nan 0.000 0.427 191 K N 1.372 121.965 120.400 0.322 0.000 2.604 191 K HA 0.397 4.709 4.320 -0.013 0.000 0.247 191 K C -1.249 175.400 176.600 0.081 0.000 0.956 191 K CA -0.382 56.032 56.287 0.212 0.000 0.896 191 K CB 1.434 34.074 32.500 0.234 0.000 1.131 191 K HN 0.665 nan 8.250 nan 0.000 0.440 192 A N 4.019 126.803 122.820 -0.060 0.000 2.511 192 A HA 0.333 4.646 4.320 -0.013 0.000 0.242 192 A C -0.233 177.171 177.584 -0.299 0.000 1.069 192 A CA -0.030 51.709 52.037 -0.496 0.000 0.763 192 A CB 0.219 18.911 19.000 -0.513 0.000 1.001 192 A HN 0.669 nan 8.150 nan 0.000 0.498 193 R N 3.227 123.538 120.500 -0.316 0.000 2.748 193 R HA 0.200 4.532 4.340 -0.013 0.000 0.283 193 R C -2.342 173.843 176.300 -0.192 0.000 1.507 193 R CA -1.603 54.400 56.100 -0.162 0.000 1.666 193 R CB 0.791 31.173 30.300 0.136 0.000 1.237 193 R HN 0.568 nan 8.270 nan 0.000 0.633 194 P HA -0.198 nan 4.420 nan 0.000 0.219 194 P C 0.927 178.128 177.300 -0.166 0.000 1.146 194 P CA 1.199 64.211 63.100 -0.147 0.000 0.808 194 P CB 0.339 31.962 31.700 -0.128 0.000 0.779 195 E N -0.034 119.953 120.200 -0.355 0.000 2.409 195 E HA -0.129 4.214 4.350 -0.013 0.000 0.198 195 E C 0.772 177.120 176.600 -0.419 0.000 1.024 195 E CA 0.706 56.837 56.400 -0.448 0.000 0.861 195 E CB -0.932 28.370 29.700 -0.663 0.000 0.788 195 E HN 0.375 nan 8.360 nan 0.000 0.521 196 F N 1.565 121.530 119.950 0.024 0.000 2.708 196 F HA 0.234 4.754 4.527 -0.013 0.000 0.300 196 F C 0.499 176.390 175.800 0.152 0.000 1.118 196 F CA -0.718 57.325 58.000 0.072 0.000 1.307 196 F CB 0.661 39.696 39.000 0.059 0.000 0.986 196 F HN -0.278 nan 8.300 nan 0.000 0.522 197 T N 2.954 117.646 114.554 0.230 0.000 2.940 197 T HA 0.213 4.556 4.350 -0.013 0.000 0.309 197 T C -0.233 174.578 174.700 0.185 0.000 1.056 197 T CA 0.358 62.596 62.100 0.229 0.000 1.137 197 T CB 0.844 69.796 68.868 0.139 0.000 0.976 197 T HN -0.118 nan 8.240 nan 0.000 0.547 198 L N 5.019 126.325 121.223 0.138 0.000 2.354 198 L HA 0.619 4.952 4.340 -0.013 0.000 0.264 198 L C -2.267 174.574 176.870 -0.048 0.000 1.008 198 L CA -2.589 52.260 54.840 0.015 0.000 0.819 198 L CB 1.983 43.985 42.059 -0.095 0.000 1.339 198 L HN 0.392 nan 8.230 nan 0.000 0.420 199 P HA 0.440 nan 4.420 nan 0.000 0.292 199 P C -1.305 175.865 177.300 -0.217 0.000 1.283 199 P CA -0.484 62.540 63.100 -0.127 0.000 0.835 199 P CB 2.077 33.702 31.700 -0.124 0.000 1.017 200 V N 3.793 123.558 119.914 -0.249 0.000 2.588 200 V HA 0.330 4.442 4.120 -0.013 0.000 0.304 200 V C 0.103 175.953 176.094 -0.407 0.000 1.042 200 V CA -0.606 61.532 62.300 -0.271 0.000 0.877 200 V CB 1.558 33.286 31.823 -0.158 0.000 0.996 200 V HN 0.613 nan 8.190 nan 0.000 0.425 201 H N 3.894 122.772 119.070 -0.319 0.000 2.479 201 H HA 0.635 5.183 4.556 -0.013 0.000 0.335 201 H C -1.324 173.599 175.328 -0.674 0.000 1.142 201 H CA -0.175 55.577 56.048 -0.492 0.000 1.234 201 H CB 1.935 31.168 29.762 -0.882 0.000 1.503 201 H HN 0.468 nan 8.280 nan 0.000 0.510 202 F N -0.056 119.880 119.950 -0.023 0.000 2.599 202 F HA 0.203 4.722 4.527 -0.013 0.000 0.311 202 F C -0.300 175.559 175.800 0.099 0.000 1.076 202 F CA -0.584 57.409 58.000 -0.010 0.000 0.937 202 F CB 1.067 39.995 39.000 -0.120 0.000 1.282 202 F HN 0.566 nan 8.300 nan 0.000 0.460 203 Y N 0.262 120.810 120.300 0.413 0.000 2.904 203 Y HA -0.017 4.526 4.550 -0.013 0.000 0.466 203 Y C 1.387 177.496 175.900 0.349 0.000 1.202 203 Y CA 0.686 58.961 58.100 0.292 0.000 2.492 203 Y CB -1.909 36.651 38.460 0.166 0.000 1.237 203 Y HN 1.307 nan 8.280 nan 0.000 0.633 204 G N 0.681 109.718 108.800 0.396 0.000 2.593 204 G HA2 0.105 4.058 3.960 -0.013 0.000 0.237 204 G HA3 0.105 4.058 3.960 -0.013 0.000 0.237 204 G C -0.517 174.577 174.900 0.323 0.000 1.312 204 G CA 0.961 46.218 45.100 0.263 0.000 0.896 204 G HN 1.373 nan 8.290 nan 0.000 0.574 205 R N -2.609 118.081 120.500 0.318 0.000 2.766 205 R HA 0.716 5.048 4.340 -0.013 0.000 0.270 205 R C -1.577 174.855 176.300 0.221 0.000 1.035 205 R CA -0.867 55.370 56.100 0.229 0.000 0.911 205 R CB 1.252 31.634 30.300 0.136 0.000 1.243 205 R HN 0.954 nan 8.270 nan 0.000 0.460 206 V N 1.042 121.003 119.914 0.079 0.000 2.384 206 V HA 0.348 4.460 4.120 -0.013 0.000 0.287 206 V C -0.322 175.711 176.094 -0.102 0.000 1.020 206 V CA -0.561 61.714 62.300 -0.041 0.000 0.850 206 V CB 1.384 33.113 31.823 -0.157 0.000 0.987 206 V HN 0.656 nan 8.190 nan 0.000 0.436 207 E N 3.351 123.477 120.200 -0.124 0.000 2.151 207 E HA 0.392 4.735 4.350 -0.013 0.000 0.275 207 E C -0.933 175.540 176.600 -0.211 0.000 0.936 207 E CA -0.675 55.670 56.400 -0.091 0.000 0.777 207 E CB 1.006 30.697 29.700 -0.016 0.000 1.108 207 E HN 0.646 nan 8.360 nan 0.000 0.401 208 H N 2.554 121.638 119.070 0.023 0.000 2.724 208 H HA 0.168 4.717 4.556 -0.013 0.000 0.278 208 H C -0.311 175.026 175.328 0.015 0.000 1.159 208 H CA -0.210 55.847 56.048 0.015 0.000 1.254 208 H CB 0.643 30.409 29.762 0.007 0.000 1.412 208 H HN 0.421 nan 8.280 nan 0.000 0.488 209 T N -0.009 114.595 114.554 0.082 0.000 2.824 209 T HA 0.289 4.631 4.350 -0.013 0.000 0.282 209 T C 1.144 175.876 174.700 0.053 0.000 0.993 209 T CA -0.207 61.929 62.100 0.061 0.000 0.967 209 T CB 1.930 70.821 68.868 0.037 0.000 0.960 209 T HN 0.530 nan 8.240 nan 0.000 0.441 210 S N 2.773 118.501 115.700 0.047 0.000 2.746 210 S HA -0.378 4.085 4.470 -0.013 0.000 0.526 210 S C 0.941 175.563 174.600 0.038 0.000 0.959 210 S CA 1.931 60.153 58.200 0.036 0.000 3.281 210 S CB -1.411 61.806 63.200 0.029 0.000 2.286 210 S HN 0.861 nan 8.310 nan 0.000 0.525 211 Q N 2.902 122.723 119.800 0.035 0.000 2.819 211 Q HA 0.561 4.894 4.340 -0.013 0.000 0.392 211 Q C 0.239 176.260 176.000 0.036 0.000 1.088 211 Q CA 0.799 56.623 55.803 0.034 0.000 1.062 211 Q CB 0.430 29.185 28.738 0.027 0.000 1.369 211 Q HN 0.984 nan 8.270 nan 0.000 0.434 212 G N -0.416 108.414 108.800 0.051 0.000 2.459 212 G HA2 0.265 4.218 3.960 -0.013 0.000 0.685 212 G HA3 0.265 4.218 3.960 -0.013 0.000 0.685 212 G C -1.112 173.810 174.900 0.037 0.000 1.303 212 G CA -0.649 44.481 45.100 0.051 0.000 0.907 212 G HN 0.456 nan 8.290 nan 0.000 0.632 213 A N 0.344 123.169 122.820 0.008 0.000 2.286 213 A HA 0.840 5.153 4.320 -0.013 0.000 0.286 213 A C 0.362 177.891 177.584 -0.091 0.000 1.097 213 A CA -0.009 51.950 52.037 -0.130 0.000 0.821 213 A CB 0.865 19.736 19.000 -0.214 0.000 1.076 213 A HN 0.777 nan 8.150 nan 0.000 0.490 214 K N 0.476 120.812 120.400 -0.106 0.000 2.443 214 K HA 0.206 4.518 4.320 -0.013 0.000 0.252 214 K C -1.811 174.825 176.600 0.060 0.000 0.933 214 K CA -0.389 55.888 56.287 -0.016 0.000 0.792 214 K CB 1.964 34.460 32.500 -0.008 0.000 1.185 214 K HN 0.723 nan 8.250 nan 0.000 0.425 215 W N 4.893 126.110 121.300 -0.137 0.000 2.358 215 W HA 0.378 5.030 4.660 -0.013 0.000 0.307 215 W C -1.031 175.419 176.519 -0.115 0.000 1.203 215 W CA -0.640 56.627 57.345 -0.130 0.000 1.279 215 W CB 0.469 29.838 29.460 -0.151 0.000 1.264 215 W HN 0.198 nan 8.180 nan 0.000 0.474 216 V N 6.395 126.401 119.914 0.154 0.000 3.074 216 V HA 0.341 4.453 4.120 -0.013 0.000 0.314 216 V C -0.495 175.579 176.094 -0.032 0.000 1.117 216 V CA -0.604 61.692 62.300 -0.006 0.000 1.014 216 V CB 2.105 33.947 31.823 0.032 0.000 1.057 216 V HN 0.456 nan 8.190 nan 0.000 0.438 217 D N 1.411 121.779 120.400 -0.053 0.000 2.689 217 D HA -0.130 4.502 4.640 -0.013 0.000 0.237 217 D C 0.410 176.662 176.300 -0.079 0.000 1.148 217 D CA 1.380 55.348 54.000 -0.053 0.000 0.656 217 D CB -1.238 39.560 40.800 -0.004 0.000 1.050 217 D HN 0.853 nan 8.370 nan 0.000 0.426 218 T N -3.157 111.304 114.554 -0.156 0.000 2.902 218 T HA 0.405 4.747 4.350 -0.013 0.000 0.280 218 T C 0.236 174.901 174.700 -0.059 0.000 0.992 218 T CA -0.899 61.114 62.100 -0.145 0.000 1.015 218 T CB 2.576 71.195 68.868 -0.414 0.000 1.044 218 T HN 0.207 nan 8.240 nan 0.000 0.520 219 Q N 1.163 121.002 119.800 0.066 0.000 2.257 219 Q HA 0.508 4.840 4.340 -0.013 0.000 0.255 219 Q C -1.467 174.585 176.000 0.087 0.000 0.920 219 Q CA -0.826 55.020 55.803 0.072 0.000 0.927 219 Q CB 1.258 30.127 28.738 0.219 0.000 1.229 219 Q HN 0.618 nan 8.270 nan 0.000 0.433 220 V N 4.677 124.593 119.914 0.004 0.000 2.427 220 V HA 0.390 4.503 4.120 -0.013 0.000 0.286 220 V C -0.289 175.846 176.094 0.068 0.000 1.034 220 V CA -0.550 61.711 62.300 -0.065 0.000 0.893 220 V CB 1.587 33.331 31.823 -0.132 0.000 0.982 220 V HN 0.632 nan 8.190 nan 0.000 0.452 221 V N 6.185 126.177 119.914 0.130 0.000 2.680 221 V HA 0.513 4.625 4.120 -0.013 0.000 0.309 221 V C -0.181 176.022 176.094 0.182 0.000 1.052 221 V CA -0.657 61.765 62.300 0.203 0.000 0.908 221 V CB 1.971 33.999 31.823 0.342 0.000 1.001 221 V HN 0.626 nan 8.190 nan 0.000 0.431 222 L N 3.309 124.643 121.223 0.186 0.000 2.343 222 L HA 0.821 5.153 4.340 -0.013 0.000 0.275 222 L C 0.288 177.353 176.870 0.324 0.000 1.056 222 L CA -0.536 54.411 54.840 0.179 0.000 0.804 222 L CB 1.556 43.697 42.059 0.137 0.000 1.203 222 L HN 0.738 nan 8.230 nan 0.000 0.440 223 A N 4.414 127.377 122.820 0.240 0.000 2.285 223 A HA 0.615 4.927 4.320 -0.013 0.000 0.310 223 A C -0.542 177.318 177.584 0.461 0.000 1.266 223 A CA -0.476 51.753 52.037 0.320 0.000 0.832 223 A CB 1.062 19.830 19.000 -0.388 0.000 1.163 223 A HN 0.798 nan 8.150 nan 0.000 0.499 224 M N 5.889 125.814 119.600 0.542 0.000 2.180 224 M HA 0.523 4.995 4.480 -0.013 0.000 0.350 224 M C -2.626 173.964 176.300 0.482 0.000 1.125 224 M CA -1.947 53.612 55.300 0.431 0.000 1.031 224 M CB 1.937 34.711 32.600 0.290 0.000 1.623 224 M HN 0.343 nan 8.290 nan 0.000 0.451 225 P HA 0.299 nan 4.420 nan 0.000 0.284 225 P C -1.946 175.317 177.300 -0.061 0.000 1.258 225 P CA -0.076 62.972 63.100 -0.087 0.000 0.824 225 P CB 0.587 32.018 31.700 -0.447 0.000 1.038 226 Y N 0.100 120.341 120.300 -0.098 0.000 2.329 226 Y HA 0.291 4.833 4.550 -0.013 0.000 0.328 226 Y C -0.116 175.780 175.900 -0.007 0.000 0.992 226 Y CA -0.396 57.707 58.100 0.006 0.000 1.151 226 Y CB 1.409 39.902 38.460 0.056 0.000 1.150 226 Y HN 0.200 nan 8.280 nan 0.000 0.450 227 D N 2.132 122.654 120.400 0.203 0.000 2.177 227 D HA 0.409 5.041 4.640 -0.013 0.000 0.247 227 D C -0.516 176.016 176.300 0.387 0.000 1.063 227 D CA -0.165 53.996 54.000 0.267 0.000 0.867 227 D CB 1.783 42.783 40.800 0.333 0.000 1.168 227 D HN 0.346 nan 8.370 nan 0.000 0.445 228 T N 3.065 117.743 114.554 0.207 0.000 2.824 228 T HA 0.450 4.792 4.350 -0.013 0.000 0.282 228 T C -2.529 172.013 174.700 -0.263 0.000 0.993 228 T CA -1.461 60.658 62.100 0.033 0.000 0.967 228 T CB 2.061 70.946 68.868 0.028 0.000 0.960 228 T HN 0.172 nan 8.240 nan 0.000 0.441 229 P HA 0.310 nan 4.420 nan 0.000 0.275 229 P C -0.995 175.990 177.300 -0.524 0.000 1.227 229 P CA -0.377 62.090 63.100 -1.055 0.000 0.781 229 P CB 0.817 31.695 31.700 -1.371 0.000 0.906 230 V N 5.175 124.837 119.914 -0.420 0.000 2.327 230 V HA 0.254 4.367 4.120 -0.013 0.000 0.272 230 V C -2.097 173.871 176.094 -0.211 0.000 1.019 230 V CA -1.867 60.279 62.300 -0.258 0.000 0.814 230 V CB 1.409 33.127 31.823 -0.176 0.000 1.040 230 V HN 0.544 nan 8.190 nan 0.000 0.440 231 P HA 0.260 nan 4.420 nan 0.000 0.281 231 P C 0.427 177.679 177.300 -0.080 0.000 1.252 231 P CA 0.352 63.368 63.100 -0.140 0.000 0.778 231 P CB 1.677 33.291 31.700 -0.144 0.000 0.895 232 G N 2.422 111.191 108.800 -0.052 0.000 2.651 232 G HA2 0.110 4.062 3.960 -0.013 0.000 0.260 232 G HA3 0.110 4.062 3.960 -0.013 0.000 0.260 232 G C -1.177 173.735 174.900 0.020 0.000 1.216 232 G CA -0.555 44.543 45.100 -0.004 0.000 0.913 232 G HN 0.534 nan 8.290 nan 0.000 0.535 233 Y N 0.279 120.543 120.300 -0.061 0.000 2.539 233 Y HA 0.327 4.870 4.550 -0.013 0.000 0.352 233 Y C 1.165 177.029 175.900 -0.060 0.000 1.004 233 Y CA -0.394 57.665 58.100 -0.068 0.000 1.278 233 Y CB 0.209 38.627 38.460 -0.069 0.000 1.136 233 Y HN 0.687 nan 8.280 nan 0.000 0.528 234 R N 3.051 123.203 120.500 -0.580 0.000 3.502 234 R HA -0.312 4.020 4.340 -0.013 0.000 0.266 234 R C -0.143 176.005 176.300 -0.253 0.000 1.077 234 R CA 1.483 57.282 56.100 -0.502 0.000 0.718 234 R CB -1.865 27.954 30.300 -0.803 0.000 1.120 234 R HN 0.952 nan 8.270 nan 0.000 0.457 235 N N -1.613 116.996 118.700 -0.152 0.000 2.170 235 N HA 0.081 4.814 4.740 -0.013 0.000 0.222 235 N C -0.224 175.238 175.510 -0.079 0.000 1.218 235 N CA -0.388 52.608 53.050 -0.090 0.000 0.889 235 N CB 0.576 39.035 38.487 -0.047 0.000 1.083 235 N HN 0.081 nan 8.380 nan 0.000 0.520 236 N N -0.254 118.395 118.700 -0.085 0.000 2.800 236 N HA -0.132 4.600 4.740 -0.013 0.000 0.250 236 N C -1.038 174.432 175.510 -0.067 0.000 1.078 236 N CA 0.590 53.599 53.050 -0.068 0.000 0.804 236 N CB -1.265 37.184 38.487 -0.064 0.000 1.135 236 N HN 0.209 nan 8.380 nan 0.000 0.565 237 V N 1.149 121.026 119.914 -0.061 0.000 2.439 237 V HA 0.475 4.588 4.120 -0.013 0.000 0.282 237 V C 0.457 176.522 176.094 -0.049 0.000 1.039 237 V CA -0.540 61.730 62.300 -0.051 0.000 0.913 237 V CB 2.176 33.991 31.823 -0.014 0.000 0.983 237 V HN -0.044 nan 8.190 nan 0.000 0.460 238 V N 5.540 125.430 119.914 -0.040 0.000 2.419 238 V HA 0.436 4.549 4.120 -0.013 0.000 0.287 238 V C -0.064 176.018 176.094 -0.020 0.000 1.017 238 V CA -0.849 61.401 62.300 -0.082 0.000 0.844 238 V CB 1.415 33.176 31.823 -0.104 0.000 1.011 238 V HN 0.829 nan 8.190 nan 0.000 0.429 239 N N 1.955 120.621 118.700 -0.057 0.000 2.418 239 N HA 0.553 5.286 4.740 -0.013 0.000 0.283 239 N C -0.018 175.485 175.510 -0.011 0.000 1.267 239 N CA -0.250 52.793 53.050 -0.012 0.000 0.975 239 N CB 1.176 39.616 38.487 -0.077 0.000 1.167 239 N HN 0.571 nan 8.380 nan 0.000 0.581 240 T N 0.790 115.361 114.554 0.028 0.000 2.841 240 T HA 0.408 4.751 4.350 -0.013 0.000 0.283 240 T C -0.304 174.394 174.700 -0.004 0.000 1.000 240 T CA -0.507 61.678 62.100 0.142 0.000 0.977 240 T CB 1.022 70.113 68.868 0.371 0.000 0.979 240 T HN 0.316 nan 8.240 nan 0.000 0.446 241 M N 3.876 123.433 119.600 -0.072 0.000 2.044 241 M HA 0.491 4.963 4.480 -0.013 0.000 0.333 241 M C -0.468 175.692 176.300 -0.233 0.000 1.004 241 M CA -0.745 54.421 55.300 -0.224 0.000 0.954 241 M CB 0.583 33.002 32.600 -0.302 0.000 1.468 241 M HN 0.453 nan 8.290 nan 0.000 0.414 242 R N 4.592 124.838 120.500 -0.423 0.000 2.207 242 R HA 0.517 4.850 4.340 -0.013 0.000 0.334 242 R C -1.859 174.144 176.300 -0.494 0.000 1.013 242 R CA -0.547 55.242 56.100 -0.518 0.000 0.858 242 R CB 0.777 30.559 30.300 -0.862 0.000 1.094 242 R HN 0.642 nan 8.270 nan 0.000 0.457 243 L N 5.822 126.869 121.223 -0.293 0.000 2.305 243 L HA 0.439 4.771 4.340 -0.013 0.000 0.284 243 L C -1.017 175.829 176.870 -0.039 0.000 1.013 243 L CA -0.511 54.262 54.840 -0.112 0.000 0.819 243 L CB 1.092 43.166 42.059 0.025 0.000 1.227 243 L HN 0.621 nan 8.230 nan 0.000 0.417 244 W N 2.437 123.869 121.300 0.221 0.000 2.316 244 W HA 0.582 5.235 4.660 -0.012 0.000 0.321 244 W C 0.615 177.375 176.519 0.403 0.000 1.203 244 W CA -0.238 57.272 57.345 0.274 0.000 1.214 244 W CB 1.303 30.806 29.460 0.072 0.000 1.169 244 W HN 0.414 nan 8.180 nan 0.000 0.561 245 S N 1.525 117.664 115.700 0.732 0.000 2.482 245 S HA 0.762 5.225 4.470 -0.013 0.000 0.303 245 S C -0.473 174.478 174.600 0.584 0.000 1.091 245 S CA -0.726 57.796 58.200 0.537 0.000 1.057 245 S CB 0.706 64.185 63.200 0.465 0.000 1.031 245 S HN 0.511 nan 8.310 nan 0.000 0.485 246 A N 4.490 127.482 122.820 0.287 0.000 2.328 246 A HA 0.667 4.979 4.320 -0.013 0.000 0.284 246 A C -0.118 177.558 177.584 0.155 0.000 1.160 246 A CA -0.255 51.853 52.037 0.119 0.000 0.818 246 A CB 0.394 19.218 19.000 -0.293 0.000 1.087 246 A HN 0.638 nan 8.150 nan 0.000 0.504 247 K N 0.952 121.461 120.400 0.183 0.000 2.464 247 K HA 0.618 4.931 4.320 -0.013 0.000 0.253 247 K C -0.704 175.966 176.600 0.116 0.000 0.933 247 K CA -0.449 55.924 56.287 0.143 0.000 0.801 247 K CB 2.327 34.925 32.500 0.163 0.000 1.271 247 K HN 0.843 nan 8.250 nan 0.000 0.430 248 A N 3.987 126.858 122.820 0.086 0.000 2.327 248 A HA 0.532 4.844 4.320 -0.013 0.000 0.283 248 A C -2.215 175.417 177.584 0.079 0.000 1.127 248 A CA -1.226 50.858 52.037 0.077 0.000 0.810 248 A CB -0.050 18.985 19.000 0.058 0.000 1.066 248 A HN 0.347 nan 8.150 nan 0.000 0.492 249 P HA 0.093 nan 4.420 nan 0.000 0.274 249 P C -0.006 177.339 177.300 0.075 0.000 1.231 249 P CA -0.368 62.781 63.100 0.083 0.000 0.790 249 P CB 0.692 32.453 31.700 0.102 0.000 0.951 250 N N 1.218 119.952 118.700 0.057 0.000 2.412 250 N HA -0.087 4.646 4.740 -0.013 0.000 0.184 250 N C 0.544 176.078 175.510 0.039 0.000 1.101 250 N CA 0.375 53.452 53.050 0.046 0.000 0.881 250 N CB -0.364 38.145 38.487 0.036 0.000 0.969 250 N HN 0.411 nan 8.380 nan 0.000 0.459 251 D N 0.813 121.235 120.400 0.037 0.000 2.125 251 D HA -0.101 4.532 4.640 -0.013 0.000 0.266 251 D C 1.600 177.910 176.300 0.016 0.000 1.124 251 D CA 0.045 54.035 54.000 -0.017 0.000 0.913 251 D CB -1.055 39.704 40.800 -0.067 0.000 0.964 251 D HN 0.061 nan 8.370 nan 0.000 0.370 252 F N 0.772 120.742 119.950 0.032 0.000 2.141 252 F HA -0.213 4.307 4.527 -0.013 0.000 0.300 252 F C 1.565 177.390 175.800 0.042 0.000 1.079 252 F CA 1.314 59.339 58.000 0.042 0.000 1.264 252 F CB -0.468 38.557 39.000 0.041 0.000 1.011 252 F HN 0.050 nan 8.300 nan 0.000 0.487 253 N N 0.767 119.601 118.700 0.223 0.000 3.115 253 N HA 0.064 4.796 4.740 -0.013 0.000 0.305 253 N C 0.585 176.148 175.510 0.089 0.000 1.305 253 N CA 0.120 53.249 53.050 0.132 0.000 1.154 253 N CB 0.025 38.569 38.487 0.094 0.000 1.454 253 N HN 0.144 nan 8.380 nan 0.000 0.551 254 L N -0.614 120.674 121.223 0.108 0.000 1.281 254 L HA -0.114 4.218 4.340 -0.013 0.000 0.103 254 L C 1.333 178.266 176.870 0.104 0.000 1.394 254 L CA 0.848 55.739 54.840 0.084 0.000 1.209 254 L CB -0.952 41.146 42.059 0.065 0.000 2.477 254 L HN 0.281 nan 8.230 nan 0.000 0.465 255 K N 0.366 120.802 120.400 0.060 0.000 2.366 255 K HA -0.038 4.274 4.320 -0.013 0.000 0.198 255 K C 0.479 177.120 176.600 0.068 0.000 1.044 255 K CA 1.039 57.312 56.287 -0.023 0.000 0.973 255 K CB -0.040 32.328 32.500 -0.220 0.000 0.767 255 K HN 0.155 nan 8.250 nan 0.000 0.475 256 D N 2.032 122.584 120.400 0.253 0.000 2.398 256 D HA -0.013 4.620 4.640 -0.013 0.000 0.250 256 D C -0.254 176.262 176.300 0.361 0.000 1.287 256 D CA -0.217 54.034 54.000 0.419 0.000 0.992 256 D CB -0.071 41.013 40.800 0.473 0.000 1.071 256 D HN 0.201 nan 8.370 nan 0.000 0.514 257 F N 1.506 121.499 119.950 0.073 0.000 2.373 257 F HA 0.344 4.864 4.527 -0.013 0.000 0.302 257 F C 0.518 176.348 175.800 0.050 0.000 1.247 257 F CA -1.920 56.111 58.000 0.052 0.000 1.169 257 F CB -0.241 38.776 39.000 0.029 0.000 1.309 257 F HN 0.367 nan 8.300 nan 0.000 0.537 258 N N -0.483 118.095 118.700 -0.204 0.000 3.506 258 N HA 0.066 4.799 4.740 -0.013 0.000 0.257 258 N C -1.725 173.722 175.510 -0.105 0.000 1.059 258 N CA 0.470 53.343 53.050 -0.294 0.000 0.672 258 N CB -0.911 37.256 38.487 -0.533 0.000 1.178 258 N HN 0.835 nan 8.380 nan 0.000 0.593 259 V N -1.582 118.320 119.914 -0.020 0.000 3.576 259 V HA -0.028 4.085 4.120 -0.013 0.000 0.511 259 V C 1.316 177.418 176.094 0.013 0.000 0.682 259 V CA 1.566 63.869 62.300 0.005 0.000 2.064 259 V CB -0.896 30.919 31.823 -0.013 0.000 2.487 259 V HN 0.989 nan 8.190 nan 0.000 0.511 260 G N 1.066 109.883 108.800 0.028 0.000 3.758 260 G HA2 0.676 4.629 3.960 -0.013 0.000 0.206 260 G HA3 0.676 4.629 3.960 -0.013 0.000 0.206 260 G C 0.860 175.780 174.900 0.034 0.000 0.946 260 G CA 1.213 46.328 45.100 0.025 0.000 0.885 260 G HN 2.994 nan 8.290 nan 0.000 0.392 261 G N -1.059 107.776 108.800 0.058 0.000 2.931 261 G HA2 0.299 4.251 3.960 -0.013 0.000 0.675 261 G HA3 0.299 4.251 3.960 -0.013 0.000 0.675 261 G C -0.117 174.842 174.900 0.098 0.000 1.339 261 G CA 0.200 45.344 45.100 0.074 0.000 0.866 261 G HN 1.384 nan 8.290 nan 0.000 0.616 262 Y N 3.246 123.562 120.300 0.026 0.000 2.220 262 Y HA 0.029 4.571 4.550 -0.013 0.000 0.291 262 Y C 2.478 178.393 175.900 0.025 0.000 1.129 262 Y CA 2.094 60.211 58.100 0.028 0.000 1.161 262 Y CB 0.012 38.487 38.460 0.024 0.000 0.997 262 Y HN 0.482 nan 8.280 nan 0.000 0.522 263 I N 0.572 121.090 120.570 -0.087 0.000 2.142 263 I HA -0.294 3.868 4.170 -0.013 0.000 0.240 263 I C 2.379 178.404 176.117 -0.154 0.000 1.078 263 I CA 1.463 62.666 61.300 -0.162 0.000 1.343 263 I CB -1.360 36.643 38.000 0.006 0.000 1.046 263 I HN 0.354 nan 8.210 nan 0.000 0.405 264 Q N 0.602 120.359 119.800 -0.071 0.000 2.135 264 Q HA -0.140 4.192 4.340 -0.013 0.000 0.204 264 Q C 2.343 178.303 176.000 -0.067 0.000 0.981 264 Q CA 1.926 57.699 55.803 -0.050 0.000 0.856 264 Q CB -0.336 28.393 28.738 -0.016 0.000 0.902 264 Q HN 0.551 nan 8.270 nan 0.000 0.425 265 A N -0.308 122.461 122.820 -0.086 0.000 1.933 265 A HA -0.119 4.193 4.320 -0.013 0.000 0.218 265 A C 2.368 179.886 177.584 -0.110 0.000 1.175 265 A CA 1.538 53.532 52.037 -0.072 0.000 0.628 265 A CB -0.487 18.486 19.000 -0.045 0.000 0.814 265 A HN 0.232 nan 8.150 nan 0.000 0.444 266 V N 0.027 119.813 119.914 -0.214 0.000 2.453 266 V HA -0.165 3.948 4.120 -0.013 0.000 0.247 266 V C 2.454 178.485 176.094 -0.104 0.000 1.048 266 V CA 1.571 63.755 62.300 -0.193 0.000 1.049 266 V CB -0.580 31.049 31.823 -0.323 0.000 0.672 266 V HN 0.561 nan 8.190 nan 0.000 0.457 267 L N -0.283 120.883 121.223 -0.094 0.000 2.201 267 L HA -0.115 4.217 4.340 -0.013 0.000 0.212 267 L C 1.924 178.776 176.870 -0.030 0.000 1.105 267 L CA 1.145 55.955 54.840 -0.050 0.000 0.775 267 L CB -0.619 41.415 42.059 -0.041 0.000 0.913 267 L HN 0.331 nan 8.230 nan 0.000 0.440 268 D N 0.043 120.424 120.400 -0.032 0.000 2.363 268 D HA -0.064 4.568 4.640 -0.013 0.000 0.220 268 D C 2.134 178.430 176.300 -0.005 0.000 0.994 268 D CA 0.427 54.418 54.000 -0.015 0.000 0.890 268 D CB 0.053 40.846 40.800 -0.013 0.000 0.906 268 D HN 0.220 nan 8.370 nan 0.000 0.530 269 R N 0.475 120.971 120.500 -0.007 0.000 2.120 269 R HA -0.003 4.329 4.340 -0.013 0.000 0.234 269 R C 0.425 176.733 176.300 0.013 0.000 1.123 269 R CA 0.569 56.674 56.100 0.008 0.000 0.975 269 R CB -0.087 30.218 30.300 0.008 0.000 0.866 269 R HN 0.078 nan 8.270 nan 0.000 0.446 270 N N 1.102 119.808 118.700 0.009 0.000 3.103 270 N HA 0.007 4.739 4.740 -0.013 0.000 0.305 270 N C 0.042 175.558 175.510 0.010 0.000 1.232 270 N CA 0.484 53.544 53.050 0.016 0.000 1.190 270 N CB 1.077 39.576 38.487 0.020 0.000 1.461 270 N HN 0.112 nan 8.380 nan 0.000 0.538 271 L N -0.444 120.782 121.223 0.004 0.000 3.188 271 L HA 0.215 4.547 4.340 -0.013 0.000 0.327 271 L C 1.629 178.486 176.870 -0.022 0.000 1.009 271 L CA 0.465 55.302 54.840 -0.005 0.000 1.373 271 L CB -0.224 41.832 42.059 -0.005 0.000 2.331 271 L HN 0.241 nan 8.230 nan 0.000 0.594 272 A N -0.787 122.024 122.820 -0.015 0.000 2.044 272 A HA 0.097 4.410 4.320 -0.013 0.000 0.213 272 A C 1.692 179.246 177.584 -0.051 0.000 1.169 272 A CA 0.831 52.848 52.037 -0.033 0.000 0.724 272 A CB -0.119 18.890 19.000 0.014 0.000 0.840 272 A HN 0.409 nan 8.150 nan 0.000 0.463 273 E N 0.181 120.372 120.200 -0.016 0.000 2.478 273 E HA -0.023 4.320 4.350 -0.013 0.000 0.194 273 E C 0.795 177.392 176.600 -0.005 0.000 1.045 273 E CA -0.073 56.323 56.400 -0.006 0.000 0.868 273 E CB -0.021 29.698 29.700 0.033 0.000 0.885 273 E HN 0.399 nan 8.360 nan 0.000 0.505 274 N N 0.978 119.673 118.700 -0.007 0.000 2.459 274 N HA -0.043 4.690 4.740 -0.013 0.000 0.181 274 N C 1.579 177.094 175.510 0.009 0.000 1.046 274 N CA 0.511 53.574 53.050 0.022 0.000 0.904 274 N CB 0.046 38.544 38.487 0.018 0.000 0.964 274 N HN 0.237 nan 8.380 nan 0.000 0.444 275 I N 0.349 120.869 120.570 -0.084 0.000 2.248 275 I HA -0.252 3.910 4.170 -0.013 0.000 0.248 275 I C 1.355 177.440 176.117 -0.053 0.000 1.107 275 I CA 1.272 62.489 61.300 -0.140 0.000 1.373 275 I CB -0.114 37.644 38.000 -0.404 0.000 1.055 275 I HN 0.133 nan 8.210 nan 0.000 0.418 276 S N -0.670 115.001 115.700 -0.047 0.000 2.574 276 S HA 0.186 4.648 4.470 -0.013 0.000 0.242 276 S C 1.439 176.180 174.600 0.235 0.000 0.982 276 S CA -0.606 57.653 58.200 0.097 0.000 0.977 276 S CB 0.216 63.449 63.200 0.056 0.000 0.814 276 S HN 0.245 nan 8.310 nan 0.000 0.464 277 R N 0.981 121.617 120.500 0.227 0.000 2.073 277 R HA 0.271 4.604 4.340 -0.013 0.000 0.229 277 R C 0.393 176.942 176.300 0.415 0.000 1.120 277 R CA 1.121 57.397 56.100 0.293 0.000 0.967 277 R CB -0.050 30.395 30.300 0.241 0.000 0.862 277 R HN 0.387 nan 8.270 nan 0.000 0.436 278 V N 0.426 120.535 119.914 0.325 0.000 2.888 278 V HA 0.370 4.482 4.120 -0.013 0.000 0.309 278 V C -1.507 174.513 176.094 -0.123 0.000 1.114 278 V CA -1.329 61.078 62.300 0.178 0.000 0.940 278 V CB 1.822 33.682 31.823 0.061 0.000 1.021 278 V HN 0.177 nan 8.190 nan 0.000 0.426 279 L N 6.090 127.003 121.223 -0.517 0.000 2.371 279 L HA 0.523 4.856 4.340 -0.013 0.000 0.272 279 L C -0.990 175.687 176.870 -0.322 0.000 1.124 279 L CA 0.332 54.658 54.840 -0.856 0.000 0.816 279 L CB 0.816 42.287 42.059 -0.981 0.000 1.129 279 L HN 0.691 nan 8.230 nan 0.000 0.448 280 Y N 5.932 126.131 120.300 -0.169 0.000 2.436 280 Y HA 0.253 4.796 4.550 -0.013 0.000 0.336 280 Y C -1.445 174.444 175.900 -0.019 0.000 1.049 280 Y CA -1.428 56.652 58.100 -0.032 0.000 1.294 280 Y CB 0.512 38.982 38.460 0.017 0.000 1.179 280 Y HN 0.556 nan 8.280 nan 0.000 0.520 281 P HA -0.005 nan 4.420 nan 0.000 0.258 281 P C -0.905 176.518 177.300 0.205 0.000 1.559 281 P CA 0.198 63.398 63.100 0.165 0.000 0.855 281 P CB -0.008 31.882 31.700 0.316 0.000 1.594 282 N N 1.284 120.115 118.700 0.219 0.000 2.426 282 N HA 0.140 4.872 4.740 -0.013 0.000 0.275 282 N C -0.491 175.168 175.510 0.249 0.000 1.019 282 N CA 0.147 53.350 53.050 0.255 0.000 0.941 282 N CB 1.310 39.985 38.487 0.314 0.000 1.123 282 N HN 0.137 nan 8.380 nan 0.000 0.486 283 D N 2.048 122.629 120.400 0.302 0.000 2.344 283 D HA 0.127 4.759 4.640 -0.013 0.000 0.239 283 D C -0.288 176.303 176.300 0.485 0.000 1.064 283 D CA -0.205 54.003 54.000 0.347 0.000 0.829 283 D CB 0.478 41.496 40.800 0.363 0.000 1.129 283 D HN 0.339 nan 8.370 nan 0.000 0.506 284 N N 2.741 121.645 118.700 0.341 0.000 2.725 284 N HA -0.255 4.477 4.740 -0.013 0.000 0.251 284 N C -1.249 174.502 175.510 0.401 0.000 1.031 284 N CA 0.774 53.993 53.050 0.281 0.000 0.720 284 N CB -1.034 37.533 38.487 0.133 0.000 0.930 284 N HN 0.426 nan 8.380 nan 0.000 0.543 285 F N 0.413 120.475 119.950 0.186 0.000 2.635 285 F HA 0.453 4.973 4.527 -0.013 0.000 0.314 285 F C -1.356 174.533 175.800 0.149 0.000 1.119 285 F CA -1.106 56.974 58.000 0.134 0.000 1.000 285 F CB 0.997 40.041 39.000 0.074 0.000 1.278 285 F HN -0.034 nan 8.300 nan 0.000 0.446 286 F N 5.545 125.075 119.950 -0.701 0.000 2.436 286 F HA 0.540 5.059 4.527 -0.013 0.000 0.340 286 F C -0.612 174.832 175.800 -0.594 0.000 1.113 286 F CA -0.154 57.538 58.000 -0.515 0.000 1.022 286 F CB 0.941 39.661 39.000 -0.466 0.000 1.128 286 F HN 0.488 nan 8.300 nan 0.000 0.466 287 E N 3.876 123.451 120.200 -1.041 0.000 2.182 287 E HA 0.246 4.588 4.350 -0.013 0.000 0.258 287 E C -0.254 175.584 176.600 -1.270 0.000 0.879 287 E CA -0.705 55.179 56.400 -0.860 0.000 0.754 287 E CB 1.607 31.160 29.700 -0.245 0.000 1.162 287 E HN 0.940 nan 8.360 nan 0.000 0.419 288 G N 4.609 112.636 108.800 -1.288 0.000 3.213 288 G HA2 0.022 3.974 3.960 -0.013 0.000 0.263 288 G HA3 0.022 3.974 3.960 -0.013 0.000 0.263 288 G C 0.114 174.967 174.900 -0.078 0.000 0.829 288 G CA -0.162 44.415 45.100 -0.872 0.000 1.983 288 G HN 0.127 nan 8.290 nan 0.000 0.616 289 K N 0.383 120.793 120.400 0.016 0.000 2.110 289 K HA 0.222 4.534 4.320 -0.013 0.000 0.263 289 K C 0.943 177.683 176.600 0.234 0.000 0.975 289 K CA -0.781 55.588 56.287 0.137 0.000 0.895 289 K CB 2.200 34.772 32.500 0.120 0.000 1.060 289 K HN 0.404 nan 8.250 nan 0.000 0.448 290 E N 1.218 121.516 120.200 0.163 0.000 2.077 290 E HA -0.194 4.149 4.350 -0.013 0.000 0.193 290 E C 1.530 178.159 176.600 0.048 0.000 0.989 290 E CA 0.872 57.318 56.400 0.077 0.000 0.800 290 E CB 0.145 29.892 29.700 0.079 0.000 0.746 290 E HN 0.378 nan 8.360 nan 0.000 0.452 291 L N 1.444 122.742 121.223 0.124 0.000 2.081 291 L HA -0.200 4.133 4.340 -0.013 0.000 0.212 291 L C 2.370 179.354 176.870 0.190 0.000 1.080 291 L CA 1.651 56.589 54.840 0.164 0.000 0.754 291 L CB -0.551 41.676 42.059 0.279 0.000 0.893 291 L HN 0.037 nan 8.230 nan 0.000 0.433 292 R N -0.524 120.042 120.500 0.109 0.000 2.070 292 R HA -0.123 4.210 4.340 -0.013 0.000 0.233 292 R C 2.245 178.594 176.300 0.082 0.000 1.137 292 R CA 1.759 57.854 56.100 -0.008 0.000 0.945 292 R CB -1.291 28.843 30.300 -0.277 0.000 0.845 292 R HN 0.422 nan 8.270 nan 0.000 0.430 293 L N 1.554 122.728 121.223 -0.082 0.000 2.127 293 L HA -0.154 4.178 4.340 -0.013 0.000 0.211 293 L C 1.925 178.733 176.870 -0.103 0.000 1.089 293 L CA 1.903 56.487 54.840 -0.427 0.000 0.757 293 L CB -0.332 41.142 42.059 -0.976 0.000 0.899 293 L HN 0.067 nan 8.230 nan 0.000 0.434 294 K N -1.181 119.215 120.400 -0.006 0.000 2.097 294 K HA -0.143 4.169 4.320 -0.013 0.000 0.205 294 K C 2.102 178.860 176.600 0.263 0.000 1.050 294 K CA 1.504 57.862 56.287 0.117 0.000 0.938 294 K CB -0.116 32.300 32.500 -0.140 0.000 0.718 294 K HN 0.489 nan 8.250 nan 0.000 0.442 295 Q N 0.499 120.425 119.800 0.211 0.000 2.124 295 Q HA -0.185 4.147 4.340 -0.013 0.000 0.202 295 Q C 1.829 178.025 176.000 0.327 0.000 0.977 295 Q CA 1.375 57.355 55.803 0.295 0.000 0.850 295 Q CB 0.036 28.974 28.738 0.332 0.000 0.901 295 Q HN 0.370 nan 8.270 nan 0.000 0.429 296 E N -0.325 120.023 120.200 0.246 0.000 2.106 296 E HA -0.196 4.147 4.350 -0.013 0.000 0.192 296 E C 1.624 178.333 176.600 0.181 0.000 0.984 296 E CA 0.892 57.419 56.400 0.211 0.000 0.806 296 E CB -0.045 29.758 29.700 0.172 0.000 0.750 296 E HN 0.321 nan 8.360 nan 0.000 0.458 297 Y N 0.093 120.439 120.300 0.077 0.000 2.286 297 Y HA -0.147 4.395 4.550 -0.013 0.000 0.293 297 Y C 1.868 177.795 175.900 0.044 0.000 1.124 297 Y CA 0.758 58.853 58.100 -0.008 0.000 1.178 297 Y CB -0.291 38.124 38.460 -0.075 0.000 1.010 297 Y HN 0.007 nan 8.280 nan 0.000 0.536 298 F N -0.217 119.711 119.950 -0.036 0.000 2.065 298 F HA -0.252 4.268 4.527 -0.013 0.000 0.298 298 F C 2.467 178.110 175.800 -0.262 0.000 1.112 298 F CA 2.116 60.056 58.000 -0.101 0.000 1.212 298 F CB -1.078 38.014 39.000 0.155 0.000 0.975 298 F HN -0.078 nan 8.300 nan 0.000 0.476 299 V N -0.413 119.441 119.914 -0.100 0.000 2.490 299 V HA -0.200 3.913 4.120 -0.013 0.000 0.250 299 V C 2.140 178.076 176.094 -0.263 0.000 1.061 299 V CA 1.877 64.084 62.300 -0.155 0.000 1.064 299 V CB -0.349 31.595 31.823 0.202 0.000 0.670 299 V HN 0.284 nan 8.190 nan 0.000 0.461 300 V N 0.311 120.071 119.914 -0.256 0.000 2.323 300 V HA -0.131 3.981 4.120 -0.013 0.000 0.244 300 V C 2.796 178.623 176.094 -0.444 0.000 1.041 300 V CA 1.989 64.126 62.300 -0.272 0.000 1.025 300 V CB -1.058 30.658 31.823 -0.178 0.000 0.656 300 V HN 0.624 nan 8.190 nan 0.000 0.451 301 A N -0.021 122.368 122.820 -0.718 0.000 1.877 301 A HA -0.139 4.173 4.320 -0.013 0.000 0.216 301 A C 2.399 179.615 177.584 -0.613 0.000 1.186 301 A CA 2.260 53.868 52.037 -0.714 0.000 0.620 301 A CB -0.831 17.522 19.000 -1.080 0.000 0.822 301 A HN 0.564 nan 8.150 nan 0.000 0.443 302 A N -1.135 121.163 122.820 -0.869 0.000 1.873 302 A HA -0.061 4.252 4.320 -0.013 0.000 0.215 302 A C 2.322 179.428 177.584 -0.798 0.000 1.186 302 A CA 2.270 53.620 52.037 -1.145 0.000 0.616 302 A CB -1.334 16.343 19.000 -2.205 0.000 0.823 302 A HN 0.424 nan 8.150 nan 0.000 0.442 303 T N 0.499 114.704 114.554 -0.581 0.000 2.684 303 T HA -0.125 4.217 4.350 -0.013 0.000 0.267 303 T C 1.824 176.256 174.700 -0.446 0.000 1.036 303 T CA 1.524 63.401 62.100 -0.372 0.000 1.148 303 T CB -0.412 68.219 68.868 -0.396 0.000 0.863 303 T HN 0.330 nan 8.240 nan 0.000 0.436 304 L N 0.677 121.679 121.223 -0.369 0.000 2.083 304 L HA -0.168 4.164 4.340 -0.013 0.000 0.209 304 L C 2.912 179.660 176.870 -0.204 0.000 1.083 304 L CA 1.399 56.071 54.840 -0.279 0.000 0.752 304 L CB -0.467 41.466 42.059 -0.211 0.000 0.899 304 L HN 0.359 nan 8.230 nan 0.000 0.433 305 Q N -0.779 118.905 119.800 -0.193 0.000 2.119 305 Q HA -0.234 4.098 4.340 -0.013 0.000 0.201 305 Q C 1.678 177.645 176.000 -0.055 0.000 0.972 305 Q CA 1.535 57.275 55.803 -0.104 0.000 0.847 305 Q CB -0.076 28.593 28.738 -0.114 0.000 0.903 305 Q HN 0.411 nan 8.270 nan 0.000 0.433 306 D N 0.525 120.885 120.400 -0.067 0.000 2.144 306 D HA -0.065 4.568 4.640 -0.013 0.000 0.200 306 D C 1.633 177.872 176.300 -0.101 0.000 0.978 306 D CA 0.750 54.751 54.000 0.001 0.000 0.833 306 D CB 0.054 40.953 40.800 0.164 0.000 0.961 306 D HN 0.156 nan 8.370 nan 0.000 0.470 307 I N 0.016 120.422 120.570 -0.275 0.000 2.252 307 I HA -0.198 3.964 4.170 -0.013 0.000 0.245 307 I C 2.199 178.321 176.117 0.008 0.000 1.102 307 I CA 0.673 61.760 61.300 -0.356 0.000 1.385 307 I CB -0.023 37.604 38.000 -0.622 0.000 1.064 307 I HN 0.016 nan 8.210 nan 0.000 0.414 308 I N 0.257 120.879 120.570 0.087 0.000 2.315 308 I HA -0.258 3.904 4.170 -0.013 0.000 0.248 308 I C 2.742 179.000 176.117 0.235 0.000 1.117 308 I CA 0.954 62.414 61.300 0.266 0.000 1.404 308 I CB -0.321 37.790 38.000 0.185 0.000 1.071 308 I HN 0.183 nan 8.210 nan 0.000 0.419 309 R N 1.153 121.726 120.500 0.121 0.000 2.073 309 R HA -0.199 4.133 4.340 -0.013 0.000 0.234 309 R C 2.442 178.801 176.300 0.097 0.000 1.134 309 R CA 1.583 57.740 56.100 0.095 0.000 0.952 309 R CB -0.237 30.098 30.300 0.059 0.000 0.850 309 R HN 0.198 nan 8.270 nan 0.000 0.433 310 R N -0.637 119.924 120.500 0.101 0.000 2.096 310 R HA -0.165 4.168 4.340 -0.013 0.000 0.235 310 R C 2.158 178.550 176.300 0.153 0.000 1.127 310 R CA 1.757 57.929 56.100 0.119 0.000 0.968 310 R CB -0.345 30.026 30.300 0.118 0.000 0.861 310 R HN 0.269 nan 8.270 nan 0.000 0.440 311 F N 1.572 121.541 119.950 0.031 0.000 2.146 311 F HA -0.103 4.416 4.527 -0.013 0.000 0.298 311 F C 1.690 177.437 175.800 -0.089 0.000 1.096 311 F CA 1.421 59.396 58.000 -0.042 0.000 1.275 311 F CB 0.001 39.012 39.000 0.019 0.000 1.008 311 F HN -0.174 nan 8.300 nan 0.000 0.480 312 K N -0.073 120.242 120.400 -0.142 0.000 2.209 312 K HA -0.103 4.209 4.320 -0.013 0.000 0.204 312 K C 2.124 178.630 176.600 -0.157 0.000 1.048 312 K CA 1.349 57.500 56.287 -0.228 0.000 0.940 312 K CB -0.201 32.288 32.500 -0.018 0.000 0.729 312 K HN 0.278 nan 8.250 nan 0.000 0.451 313 S N 0.203 115.871 115.700 -0.054 0.000 2.303 313 S HA -0.042 4.421 4.470 -0.013 0.000 0.207 313 S C 1.315 175.930 174.600 0.025 0.000 1.025 313 S CA 0.294 58.515 58.200 0.034 0.000 0.953 313 S CB -0.092 63.187 63.200 0.132 0.000 0.932 313 S HN 0.256 nan 8.310 nan 0.000 0.472 314 S N 0.788 116.514 115.700 0.044 0.000 4.134 314 S HA -0.297 4.165 4.470 -0.013 0.000 0.538 314 S C 1.003 175.613 174.600 0.017 0.000 1.224 314 S CA 2.154 60.388 58.200 0.057 0.000 3.613 314 S CB -0.663 62.595 63.200 0.096 0.000 2.065 314 S HN 0.487 nan 8.310 nan 0.000 0.493 315 K N -0.536 119.923 120.400 0.097 0.000 2.483 315 K HA 0.470 4.783 4.320 -0.013 0.000 0.206 315 K C 1.009 177.501 176.600 -0.181 0.000 1.086 315 K CA 0.030 56.264 56.287 -0.088 0.000 1.052 315 K CB 0.217 32.614 32.500 -0.170 0.000 0.904 315 K HN 0.410 nan 8.250 nan 0.000 0.557 316 F N -1.042 118.776 119.950 -0.220 0.000 2.446 316 F HA 0.191 4.710 4.527 -0.013 0.000 0.292 316 F C 1.774 177.460 175.800 -0.191 0.000 1.096 316 F CA 0.018 57.874 58.000 -0.240 0.000 1.438 316 F CB 0.432 39.175 39.000 -0.428 0.000 1.107 316 F HN 0.029 nan 8.300 nan 0.000 0.546 317 G N -1.351 107.467 108.800 0.030 0.000 3.530 317 G HA2 0.221 4.173 3.960 -0.013 0.000 0.269 317 G HA3 0.221 4.173 3.960 -0.013 0.000 0.269 317 G C 0.147 175.049 174.900 0.004 0.000 1.314 317 G CA 0.257 45.358 45.100 0.003 0.000 1.441 317 G HN 0.428 nan 8.290 nan 0.000 0.595 318 C N -1.394 117.894 119.300 -0.021 0.000 3.692 318 C HA 0.350 4.802 4.460 -0.013 0.000 0.448 318 C C 1.261 176.220 174.990 -0.052 0.000 1.278 318 C CA 0.791 59.789 59.018 -0.033 0.000 2.229 318 C CB 0.463 28.172 27.740 -0.052 0.000 2.815 318 C HN 0.594 nan 8.230 nan 0.000 0.440 319 R N 1.010 121.455 120.500 -0.092 0.000 3.039 319 R HA 0.374 4.706 4.340 -0.013 0.000 0.092 319 R C -0.301 175.898 176.300 -0.168 0.000 0.608 319 R CA 1.014 57.052 56.100 -0.103 0.000 0.426 319 R CB -1.020 29.224 30.300 -0.093 0.000 0.385 319 R HN 0.283 nan 8.270 nan 0.000 0.326 320 D N -0.294 119.972 120.400 -0.224 0.000 3.455 320 D HA -0.137 4.496 4.640 -0.013 0.000 0.216 320 D C -1.604 174.594 176.300 -0.171 0.000 1.510 320 D CA 1.494 55.307 54.000 -0.312 0.000 1.128 320 D CB -1.297 39.101 40.800 -0.670 0.000 0.680 320 D HN 0.411 nan 8.370 nan 0.000 0.828 321 P HA 0.048 nan 4.420 nan 0.000 0.222 321 P C 0.382 177.668 177.300 -0.022 0.000 1.147 321 P CA 0.906 63.978 63.100 -0.047 0.000 0.790 321 P CB 0.258 31.959 31.700 0.002 0.000 0.780 322 V N -0.542 119.359 119.914 -0.021 0.000 3.559 322 V HA -0.206 3.906 4.120 -0.013 0.000 0.476 322 V C -0.298 175.811 176.094 0.025 0.000 0.682 322 V CA 1.146 63.445 62.300 -0.002 0.000 1.988 322 V CB -1.263 30.552 31.823 -0.012 0.000 2.423 322 V HN 0.576 nan 8.190 nan 0.000 0.500 323 R N 2.848 123.374 120.500 0.043 0.000 7.363 323 R HA 0.035 4.367 4.340 -0.013 0.000 0.261 323 R C -0.033 176.312 176.300 0.075 0.000 0.794 323 R CA 0.487 56.622 56.100 0.058 0.000 1.826 323 R CB -0.161 30.176 30.300 0.062 0.000 1.258 323 R HN 0.784 nan 8.270 nan 0.000 0.877 324 T N 2.945 117.538 114.554 0.065 0.000 3.057 324 T HA -0.013 4.329 4.350 -0.013 0.000 0.232 324 T C 0.211 174.952 174.700 0.067 0.000 1.018 324 T CA 0.309 62.420 62.100 0.018 0.000 1.506 324 T CB -0.772 68.130 68.868 0.058 0.000 1.063 324 T HN 0.349 nan 8.240 nan 0.000 0.613 325 N N 1.369 120.121 118.700 0.086 0.000 2.420 325 N HA 0.296 5.028 4.740 -0.013 0.000 0.249 325 N C 0.133 175.722 175.510 0.132 0.000 1.033 325 N CA -0.519 52.627 53.050 0.161 0.000 0.944 325 N CB 0.450 39.045 38.487 0.179 0.000 1.113 325 N HN 0.394 nan 8.380 nan 0.000 0.502 326 F N 0.655 120.694 119.950 0.150 0.000 2.795 326 F HA 0.034 4.553 4.527 -0.013 0.000 0.303 326 F C 1.510 177.356 175.800 0.076 0.000 1.186 326 F CA 0.182 58.234 58.000 0.087 0.000 1.415 326 F CB 0.179 39.113 39.000 -0.109 0.000 1.106 326 F HN 0.563 nan 8.300 nan 0.000 0.558 327 D N 0.188 120.726 120.400 0.230 0.000 2.219 327 D HA -0.111 4.521 4.640 -0.013 0.000 0.205 327 D C 2.102 178.504 176.300 0.170 0.000 0.970 327 D CA 1.107 55.212 54.000 0.174 0.000 0.851 327 D CB 0.153 41.045 40.800 0.153 0.000 0.943 327 D HN 0.334 nan 8.370 nan 0.000 0.488 328 A N -0.133 122.822 122.820 0.226 0.000 2.275 328 A HA 0.080 4.393 4.320 -0.013 0.000 0.212 328 A C 1.588 179.214 177.584 0.070 0.000 1.201 328 A CA -0.383 51.795 52.037 0.234 0.000 0.843 328 A CB -0.559 18.742 19.000 0.502 0.000 0.873 328 A HN 0.122 nan 8.150 nan 0.000 0.492 329 F N 2.012 121.793 119.950 -0.283 0.000 2.065 329 F HA -0.149 4.371 4.527 -0.012 0.000 0.298 329 F C -0.756 174.850 175.800 -0.323 0.000 1.112 329 F CA 2.587 60.175 58.000 -0.687 0.000 1.212 329 F CB -0.518 38.167 39.000 -0.526 0.000 0.975 329 F HN 0.206 nan 8.300 nan 0.000 0.476 330 P HA -0.107 nan 4.420 nan 0.000 0.222 330 P C 0.666 177.898 177.300 -0.112 0.000 1.147 330 P CA 1.526 64.559 63.100 -0.112 0.000 0.790 330 P CB -0.072 31.612 31.700 -0.027 0.000 0.780 331 D N -1.072 119.290 120.400 -0.063 0.000 2.323 331 D HA -0.022 4.610 4.640 -0.013 0.000 0.209 331 D C 1.550 177.840 176.300 -0.016 0.000 0.973 331 D CA 0.852 54.849 54.000 -0.005 0.000 0.874 331 D CB 0.076 40.918 40.800 0.070 0.000 0.930 331 D HN 0.120 nan 8.370 nan 0.000 0.521 332 K N -0.156 120.184 120.400 -0.099 0.000 2.412 332 K HA 0.217 4.530 4.320 -0.013 0.000 0.202 332 K C 0.006 176.485 176.600 -0.202 0.000 1.102 332 K CA 0.091 56.333 56.287 -0.075 0.000 1.027 332 K CB 2.213 34.755 32.500 0.070 0.000 0.931 332 K HN -0.056 nan 8.250 nan 0.000 0.557 333 V N 0.703 120.387 119.914 -0.384 0.000 2.789 333 V HA 0.719 4.831 4.120 -0.013 0.000 0.311 333 V C -1.224 174.738 176.094 -0.220 0.000 1.073 333 V CA -1.228 60.846 62.300 -0.376 0.000 0.921 333 V CB 1.985 33.270 31.823 -0.896 0.000 1.009 333 V HN 0.112 nan 8.190 nan 0.000 0.426 334 A N 4.634 127.396 122.820 -0.097 0.000 2.429 334 A HA 0.866 5.178 4.320 -0.013 0.000 0.289 334 A C -1.164 176.425 177.584 0.009 0.000 1.043 334 A CA -0.389 51.628 52.037 -0.033 0.000 0.722 334 A CB 1.248 20.192 19.000 -0.093 0.000 1.243 334 A HN 1.284 nan 8.150 nan 0.000 0.415 335 I N 0.607 121.235 120.570 0.095 0.000 2.389 335 I HA 0.735 4.897 4.170 -0.013 0.000 0.288 335 I C -0.596 175.611 176.117 0.150 0.000 0.999 335 I CA -0.435 60.940 61.300 0.125 0.000 1.129 335 I CB 1.864 39.918 38.000 0.090 0.000 1.288 335 I HN 0.529 nan 8.210 nan 0.000 0.444 336 Q N 5.896 125.794 119.800 0.163 0.000 2.278 336 Q HA 0.516 4.849 4.340 -0.013 0.000 0.257 336 Q C -1.619 174.404 176.000 0.039 0.000 0.928 336 Q CA -0.443 55.493 55.803 0.222 0.000 0.932 336 Q CB 1.469 30.470 28.738 0.438 0.000 1.221 336 Q HN 0.758 nan 8.270 nan 0.000 0.434 337 L N 4.359 125.637 121.223 0.091 0.000 2.268 337 L HA 0.316 4.649 4.340 -0.013 0.000 0.289 337 L C -0.246 176.671 176.870 0.078 0.000 1.064 337 L CA -0.222 54.658 54.840 0.067 0.000 0.824 337 L CB 0.396 42.534 42.059 0.133 0.000 1.202 337 L HN 0.608 nan 8.230 nan 0.000 0.433 338 N N 3.981 122.637 118.700 -0.072 0.000 2.466 338 N HA 0.110 4.843 4.740 -0.013 0.000 0.263 338 N C -0.078 175.476 175.510 0.073 0.000 1.178 338 N CA 0.593 53.655 53.050 0.021 0.000 0.983 338 N CB -0.206 38.185 38.487 -0.161 0.000 1.331 338 N HN 0.555 nan 8.380 nan 0.000 0.500 339 D N -0.479 120.065 120.400 0.240 0.000 4.259 339 D HA -0.217 4.415 4.640 -0.013 0.000 0.290 339 D C 0.442 176.828 176.300 0.144 0.000 2.199 339 D CA 1.507 55.622 54.000 0.192 0.000 1.194 339 D CB -0.648 39.993 40.800 -0.264 0.000 1.003 339 D HN 0.465 nan 8.370 nan 0.000 1.204 340 T N -2.488 112.051 114.554 -0.025 0.000 3.129 340 T HA 0.109 4.451 4.350 -0.013 0.000 0.251 340 T C 1.649 176.372 174.700 0.038 0.000 1.117 340 T CA 1.567 63.629 62.100 -0.063 0.000 1.034 340 T CB -0.502 68.302 68.868 -0.107 0.000 0.968 340 T HN 0.513 nan 8.240 nan 0.000 0.526 341 H N 2.669 121.817 119.070 0.130 0.000 2.353 341 H HA -0.008 4.540 4.556 -0.013 0.000 0.298 341 H C -0.886 174.522 175.328 0.133 0.000 1.103 341 H CA 1.165 57.307 56.048 0.156 0.000 1.293 341 H CB -0.863 28.992 29.762 0.156 0.000 1.372 341 H HN 0.444 nan 8.280 nan 0.000 0.501 342 P HA 0.080 nan 4.420 nan 0.000 0.254 342 P C 0.729 178.066 177.300 0.060 0.000 1.620 342 P CA 0.336 63.510 63.100 0.122 0.000 1.050 342 P CB 0.351 32.113 31.700 0.103 0.000 1.539 343 S N -0.217 115.511 115.700 0.047 0.000 2.440 343 S HA -0.123 4.339 4.470 -0.013 0.000 0.238 343 S C 1.705 176.305 174.600 -0.001 0.000 1.010 343 S CA 0.791 58.980 58.200 -0.019 0.000 0.972 343 S CB -1.448 61.715 63.200 -0.061 0.000 0.774 343 S HN 0.155 nan 8.310 nan 0.000 0.501 344 L N 0.960 122.202 121.223 0.032 0.000 2.549 344 L HA 0.063 4.395 4.340 -0.013 0.000 0.229 344 L C 2.912 179.824 176.870 0.070 0.000 1.158 344 L CA 0.569 55.439 54.840 0.050 0.000 0.842 344 L CB -0.733 41.365 42.059 0.065 0.000 0.952 344 L HN 0.475 nan 8.230 nan 0.000 0.452 345 A N 0.610 123.445 122.820 0.024 0.000 1.940 345 A HA -0.196 4.116 4.320 -0.013 0.000 0.219 345 A C 2.172 179.751 177.584 -0.008 0.000 1.176 345 A CA 1.483 53.517 52.037 -0.005 0.000 0.631 345 A CB -0.433 18.553 19.000 -0.023 0.000 0.814 345 A HN 0.354 nan 8.150 nan 0.000 0.446 346 I N 0.332 120.898 120.570 -0.008 0.000 2.090 346 I HA -0.153 4.009 4.170 -0.013 0.000 0.236 346 I C -0.365 175.761 176.117 0.014 0.000 1.064 346 I CA 1.679 62.969 61.300 -0.015 0.000 1.324 346 I CB -0.954 37.039 38.000 -0.012 0.000 1.044 346 I HN 0.241 nan 8.210 nan 0.000 0.399 347 P HA -0.175 nan 4.420 nan 0.000 0.223 347 P C 1.233 178.518 177.300 -0.026 0.000 1.151 347 P CA 1.495 64.612 63.100 0.029 0.000 0.787 347 P CB 0.019 31.757 31.700 0.063 0.000 0.788 348 E N 0.139 120.397 120.200 0.096 0.000 2.107 348 E HA -0.127 4.215 4.350 -0.013 0.000 0.191 348 E C 1.884 178.454 176.600 -0.050 0.000 0.982 348 E CA 0.524 56.998 56.400 0.122 0.000 0.809 348 E CB -1.132 28.714 29.700 0.243 0.000 0.756 348 E HN -0.023 nan 8.360 nan 0.000 0.459 349 L N 0.075 121.245 121.223 -0.089 0.000 2.093 349 L HA -0.046 4.287 4.340 -0.013 0.000 0.208 349 L C 1.974 178.695 176.870 -0.247 0.000 1.085 349 L CA 1.692 56.426 54.840 -0.176 0.000 0.755 349 L CB -0.557 41.406 42.059 -0.160 0.000 0.904 349 L HN 0.248 nan 8.230 nan 0.000 0.435 350 M N -0.830 118.637 119.600 -0.222 0.000 2.099 350 M HA -0.171 4.301 4.480 -0.013 0.000 0.262 350 M C 2.406 178.525 176.300 -0.301 0.000 1.067 350 M CA 1.436 56.551 55.300 -0.309 0.000 1.124 350 M CB -1.093 31.311 32.600 -0.325 0.000 1.353 350 M HN 0.315 nan 8.290 nan 0.000 0.410 351 R N 0.047 120.392 120.500 -0.258 0.000 2.096 351 R HA -0.148 4.184 4.340 -0.013 0.000 0.240 351 R C 2.067 178.251 176.300 -0.192 0.000 1.139 351 R CA 1.793 57.745 56.100 -0.246 0.000 0.952 351 R CB -0.252 29.847 30.300 -0.335 0.000 0.854 351 R HN 0.190 nan 8.270 nan 0.000 0.436 352 V N 1.422 121.223 119.914 -0.189 0.000 2.261 352 V HA -0.265 3.847 4.120 -0.013 0.000 0.246 352 V C 2.456 178.385 176.094 -0.276 0.000 1.047 352 V CA 1.868 64.053 62.300 -0.192 0.000 1.015 352 V CB -0.442 31.265 31.823 -0.194 0.000 0.642 352 V HN 0.349 nan 8.190 nan 0.000 0.446 353 L N -0.625 120.369 121.223 -0.382 0.000 2.012 353 L HA -0.178 4.155 4.340 -0.013 0.000 0.210 353 L C 2.427 179.108 176.870 -0.316 0.000 1.073 353 L CA 1.357 55.908 54.840 -0.480 0.000 0.748 353 L CB -0.690 41.046 42.059 -0.538 0.000 0.891 353 L HN 0.205 nan 8.230 nan 0.000 0.431 354 V N -0.455 119.309 119.914 -0.250 0.000 2.273 354 V HA -0.215 3.897 4.120 -0.013 0.000 0.242 354 V C 2.081 178.123 176.094 -0.087 0.000 1.035 354 V CA 1.827 64.040 62.300 -0.145 0.000 1.013 354 V CB -0.378 31.378 31.823 -0.113 0.000 0.652 354 V HN 0.371 nan 8.190 nan 0.000 0.452 355 D N -0.004 120.341 120.400 -0.092 0.000 2.097 355 D HA -0.066 4.567 4.640 -0.013 0.000 0.197 355 D C 2.076 178.343 176.300 -0.055 0.000 0.984 355 D CA 1.325 55.290 54.000 -0.059 0.000 0.826 355 D CB -0.079 40.683 40.800 -0.064 0.000 0.973 355 D HN 0.318 nan 8.370 nan 0.000 0.460 356 L N 0.324 121.499 121.223 -0.080 0.000 2.200 356 L HA 0.070 4.402 4.340 -0.013 0.000 0.200 356 L C 2.005 178.838 176.870 -0.062 0.000 1.072 356 L CA 0.606 55.410 54.840 -0.060 0.000 0.787 356 L CB -0.210 41.813 42.059 -0.059 0.000 0.957 356 L HN -0.145 nan 8.230 nan 0.000 0.459 357 E N 0.742 120.870 120.200 -0.120 0.000 2.371 357 E HA -0.010 4.332 4.350 -0.013 0.000 0.194 357 E C 0.100 176.660 176.600 -0.066 0.000 1.012 357 E CA 0.019 56.357 56.400 -0.104 0.000 0.860 357 E CB 0.176 29.709 29.700 -0.278 0.000 0.811 357 E HN 0.277 nan 8.360 nan 0.000 0.502 358 R N -0.040 120.415 120.500 -0.075 0.000 3.418 358 R HA -0.184 4.148 4.340 -0.013 0.000 0.274 358 R C -0.521 175.762 176.300 -0.029 0.000 1.108 358 R CA 0.217 56.297 56.100 -0.034 0.000 0.741 358 R CB -2.527 27.772 30.300 -0.001 0.000 1.223 358 R HN 0.045 nan 8.270 nan 0.000 0.434 359 L N 1.769 122.947 121.223 -0.075 0.000 2.421 359 L HA 0.202 4.534 4.340 -0.013 0.000 0.263 359 L C 1.255 178.117 176.870 -0.014 0.000 1.122 359 L CA 0.056 54.864 54.840 -0.054 0.000 0.804 359 L CB 0.527 42.507 42.059 -0.131 0.000 1.150 359 L HN 0.137 nan 8.230 nan 0.000 0.457 360 D N 0.396 120.813 120.400 0.030 0.000 2.362 360 D HA -0.128 4.505 4.640 -0.013 0.000 0.242 360 D C 0.966 177.333 176.300 0.112 0.000 1.132 360 D CA -0.507 53.545 54.000 0.087 0.000 0.907 360 D CB 0.721 41.578 40.800 0.095 0.000 1.195 360 D HN 0.599 nan 8.370 nan 0.000 0.429 361 W N 2.004 123.307 121.300 0.005 0.000 2.301 361 W HA -0.251 4.401 4.660 -0.013 0.000 0.325 361 W C 1.176 177.739 176.519 0.073 0.000 1.250 361 W CA 2.007 59.362 57.345 0.016 0.000 1.261 361 W CB -0.261 29.189 29.460 -0.018 0.000 1.157 361 W HN 0.493 nan 8.180 nan 0.000 0.473 362 D N 0.034 120.634 120.400 0.333 0.000 2.149 362 D HA -0.201 4.432 4.640 -0.013 0.000 0.198 362 D C 2.052 178.452 176.300 0.166 0.000 0.990 362 D CA 1.336 55.500 54.000 0.274 0.000 0.839 362 D CB -0.407 40.532 40.800 0.231 0.000 0.948 362 D HN 0.109 nan 8.370 nan 0.000 0.460 363 K N 0.983 121.441 120.400 0.096 0.000 2.097 363 K HA -0.003 4.309 4.320 -0.013 0.000 0.205 363 K C 1.969 178.564 176.600 -0.010 0.000 1.050 363 K CA 0.790 57.108 56.287 0.053 0.000 0.938 363 K CB -0.177 32.351 32.500 0.045 0.000 0.718 363 K HN 0.018 nan 8.250 nan 0.000 0.442 364 A N 0.837 123.609 122.820 -0.080 0.000 1.877 364 A HA -0.186 4.126 4.320 -0.013 0.000 0.216 364 A C 2.133 179.624 177.584 -0.155 0.000 1.186 364 A CA 1.252 53.171 52.037 -0.196 0.000 0.620 364 A CB -1.061 17.748 19.000 -0.317 0.000 0.822 364 A HN 0.635 nan 8.150 nan 0.000 0.443 365 W N 0.726 121.819 121.300 -0.344 0.000 2.358 365 W HA -0.184 4.469 4.660 -0.012 0.000 0.303 365 W C 2.012 178.473 176.519 -0.097 0.000 1.208 365 W CA 1.893 59.087 57.345 -0.252 0.000 1.274 365 W CB -0.125 29.237 29.460 -0.163 0.000 1.138 365 W HN 0.603 nan 8.180 nan 0.000 0.515 366 E N 0.093 120.293 120.200 0.001 0.000 2.085 366 E HA -0.227 4.115 4.350 -0.013 0.000 0.194 366 E C 2.011 178.538 176.600 -0.122 0.000 0.994 366 E CA 1.889 58.251 56.400 -0.063 0.000 0.801 366 E CB -0.263 29.457 29.700 0.034 0.000 0.743 366 E HN 0.094 nan 8.360 nan 0.000 0.453 367 V N 0.608 120.463 119.914 -0.099 0.000 2.307 367 V HA -0.241 3.872 4.120 -0.013 0.000 0.245 367 V C 2.416 178.447 176.094 -0.106 0.000 1.045 367 V CA 2.146 64.406 62.300 -0.066 0.000 1.024 367 V CB -0.793 30.985 31.823 -0.074 0.000 0.651 367 V HN 0.361 nan 8.190 nan 0.000 0.449 368 T N 0.232 114.652 114.554 -0.223 0.000 2.635 368 T HA -0.204 4.138 4.350 -0.013 0.000 0.267 368 T C 1.944 176.460 174.700 -0.307 0.000 1.040 368 T CA 1.906 63.846 62.100 -0.267 0.000 1.156 368 T CB -0.354 68.292 68.868 -0.369 0.000 0.863 368 T HN 0.266 nan 8.240 nan 0.000 0.430 369 V N 1.191 120.791 119.914 -0.523 0.000 2.392 369 V HA -0.165 3.947 4.120 -0.013 0.000 0.249 369 V C 2.366 178.403 176.094 -0.095 0.000 1.059 369 V CA 1.613 63.665 62.300 -0.415 0.000 1.051 369 V CB -0.487 31.014 31.823 -0.537 0.000 0.658 369 V HN 0.433 nan 8.190 nan 0.000 0.455 370 K N -0.354 119.984 120.400 -0.104 0.000 2.365 370 K HA -0.089 4.224 4.320 -0.013 0.000 0.199 370 K C 2.144 178.735 176.600 -0.015 0.000 1.045 370 K CA 1.444 57.679 56.287 -0.086 0.000 0.962 370 K CB -0.075 32.363 32.500 -0.102 0.000 0.759 370 K HN 0.647 nan 8.250 nan 0.000 0.469 371 T N -2.081 112.509 114.554 0.059 0.000 3.014 371 T HA 0.101 4.443 4.350 -0.013 0.000 0.250 371 T C 0.618 175.417 174.700 0.165 0.000 1.060 371 T CA -0.326 61.833 62.100 0.097 0.000 1.040 371 T CB -0.005 68.916 68.868 0.088 0.000 0.971 371 T HN -0.001 nan 8.240 nan 0.000 0.497 372 C N 2.596 121.977 119.300 0.136 0.000 2.365 372 C HA 0.922 5.374 4.460 -0.013 0.000 0.351 372 C C 0.557 175.573 174.990 0.043 0.000 1.240 372 C CA -0.785 58.283 59.018 0.084 0.000 2.062 372 C CB 0.215 27.945 27.740 -0.017 0.000 2.387 372 C HN 0.747 nan 8.230 nan 0.000 0.537 373 A N 2.253 125.100 122.820 0.045 0.000 2.486 373 A HA 0.727 5.039 4.320 -0.013 0.000 0.300 373 A C -1.513 176.134 177.584 0.105 0.000 1.048 373 A CA -0.409 51.607 52.037 -0.036 0.000 0.696 373 A CB 0.959 19.959 19.000 0.001 0.000 1.278 373 A HN 0.935 nan 8.150 nan 0.000 0.405 374 Y N 1.300 121.540 120.300 -0.100 0.000 2.393 374 Y HA 0.657 5.199 4.550 -0.012 0.000 0.341 374 Y C -0.446 175.431 175.900 -0.038 0.000 0.988 374 Y CA -0.358 57.699 58.100 -0.071 0.000 1.078 374 Y CB 2.018 40.391 38.460 -0.145 0.000 1.203 374 Y HN 0.570 nan 8.280 nan 0.000 0.453 375 T N 6.421 120.794 114.554 -0.302 0.000 2.770 375 T HA 0.189 4.531 4.350 -0.013 0.000 0.283 375 T C -0.863 173.372 174.700 -0.775 0.000 0.988 375 T CA -0.833 61.007 62.100 -0.433 0.000 0.957 375 T CB 0.518 69.355 68.868 -0.051 0.000 0.930 375 T HN 0.633 nan 8.240 nan 0.000 0.443 376 N N 1.655 119.890 118.700 -0.775 0.000 2.456 376 N HA 0.156 4.888 4.740 -0.013 0.000 0.288 376 N C 0.041 175.424 175.510 -0.212 0.000 1.059 376 N CA -0.339 52.476 53.050 -0.392 0.000 0.946 376 N CB 0.817 39.242 38.487 -0.103 0.000 1.150 376 N HN 0.683 nan 8.380 nan 0.000 0.479 377 H N 0.833 119.933 119.070 0.050 0.000 2.893 377 H HA 0.157 4.706 4.556 -0.013 0.000 0.270 377 H C -0.166 175.071 175.328 -0.152 0.000 1.095 377 H CA -0.010 56.012 56.048 -0.042 0.000 1.186 377 H CB 1.236 30.983 29.762 -0.024 0.000 1.562 377 H HN 0.523 nan 8.280 nan 0.000 0.536 378 T N 0.233 114.810 114.554 0.038 0.000 2.830 378 T HA 0.256 4.599 4.350 -0.013 0.000 0.322 378 T C 0.331 175.047 174.700 0.026 0.000 1.501 378 T CA -0.351 61.715 62.100 -0.056 0.000 1.036 378 T CB 1.405 70.236 68.868 -0.062 0.000 1.379 378 T HN -0.046 nan 8.240 nan 0.000 0.493 379 V N 1.498 121.388 119.914 -0.039 0.000 3.477 379 V HA 0.502 4.615 4.120 -0.013 0.000 0.297 379 V C 0.873 176.925 176.094 -0.070 0.000 1.433 379 V CA -0.046 62.227 62.300 -0.045 0.000 1.052 379 V CB -0.721 31.081 31.823 -0.035 0.000 0.895 379 V HN 0.794 nan 8.190 nan 0.000 0.438 380 I N -0.319 120.199 120.570 -0.087 0.000 2.556 380 I HA 0.337 4.499 4.170 -0.013 0.000 0.284 380 I C -0.722 175.380 176.117 -0.024 0.000 1.114 380 I CA -1.734 59.537 61.300 -0.050 0.000 1.418 380 I CB 0.663 38.625 38.000 -0.063 0.000 1.394 380 I HN -0.052 nan 8.210 nan 0.000 0.552 381 P HA -0.238 nan 4.420 nan 0.000 0.216 381 P C 1.085 178.367 177.300 -0.030 0.000 1.150 381 P CA 1.559 64.646 63.100 -0.021 0.000 0.837 381 P CB -0.082 31.612 31.700 -0.011 0.000 0.786 382 E N 0.254 120.455 120.200 0.001 0.000 2.418 382 E HA -0.041 4.301 4.350 -0.013 0.000 0.197 382 E C 1.593 178.119 176.600 -0.122 0.000 1.026 382 E CA 1.017 57.386 56.400 -0.051 0.000 0.862 382 E CB -0.657 29.099 29.700 0.093 0.000 0.799 382 E HN 0.210 nan 8.360 nan 0.000 0.518 383 A N 1.058 123.861 122.820 -0.028 0.000 2.195 383 A HA 0.198 4.511 4.320 -0.013 0.000 0.210 383 A C 1.159 178.720 177.584 -0.038 0.000 1.165 383 A CA -0.299 51.743 52.037 0.009 0.000 0.806 383 A CB 0.115 19.145 19.000 0.049 0.000 0.847 383 A HN 0.140 nan 8.150 nan 0.000 0.482 384 L N 1.733 122.893 121.223 -0.106 0.000 2.410 384 L HA 0.135 4.468 4.340 -0.013 0.000 0.273 384 L C -0.008 176.537 176.870 -0.542 0.000 1.152 384 L CA 0.477 55.195 54.840 -0.204 0.000 0.855 384 L CB 0.368 42.340 42.059 -0.146 0.000 1.129 384 L HN 0.400 nan 8.230 nan 0.000 0.463 385 E N 4.787 124.564 120.200 -0.704 0.000 2.180 385 E HA 0.194 4.536 4.350 -0.013 0.000 0.283 385 E C -0.483 175.486 176.600 -1.052 0.000 1.061 385 E CA -0.196 55.330 56.400 -1.457 0.000 0.861 385 E CB 0.667 29.860 29.700 -0.846 0.000 1.056 385 E HN 0.365 nan 8.360 nan 0.000 0.407 386 R N 3.904 123.681 120.500 -1.204 0.000 2.487 386 R HA 0.191 4.524 4.340 -0.013 0.000 0.288 386 R C -1.224 174.910 176.300 -0.276 0.000 1.394 386 R CA -0.572 55.243 56.100 -0.475 0.000 1.155 386 R CB 0.815 30.965 30.300 -0.250 0.000 1.156 386 R HN 0.430 nan 8.270 nan 0.000 0.553 387 W N 4.494 125.747 121.300 -0.079 0.000 2.311 387 W HA 0.244 4.896 4.660 -0.013 0.000 0.310 387 W C -1.882 174.612 176.519 -0.042 0.000 1.274 387 W CA -2.082 55.277 57.345 0.023 0.000 1.215 387 W CB 0.644 30.094 29.460 -0.015 0.000 1.227 387 W HN 0.247 nan 8.180 nan 0.000 0.523 388 P HA -0.086 nan 4.420 nan 0.000 0.265 388 P C 0.768 178.003 177.300 -0.108 0.000 1.193 388 P CA 0.174 63.256 63.100 -0.030 0.000 0.765 388 P CB 0.790 32.335 31.700 -0.259 0.000 0.823 389 V N 3.149 123.052 119.914 -0.018 0.000 2.392 389 V HA -0.277 3.836 4.120 -0.013 0.000 0.249 389 V C 2.100 178.197 176.094 0.004 0.000 1.059 389 V CA 2.482 64.789 62.300 0.012 0.000 1.051 389 V CB -1.762 30.130 31.823 0.114 0.000 0.658 389 V HN 0.760 nan 8.190 nan 0.000 0.455 390 H N -1.250 117.875 119.070 0.091 0.000 2.489 390 H HA -0.079 4.469 4.556 -0.013 0.000 0.293 390 H C 1.987 177.360 175.328 0.075 0.000 1.066 390 H CA 1.547 57.644 56.048 0.081 0.000 1.305 390 H CB -0.442 29.369 29.762 0.082 0.000 1.386 390 H HN 0.376 nan 8.280 nan 0.000 0.551 391 L N -0.136 120.936 121.223 -0.252 0.000 2.049 391 L HA -0.027 4.305 4.340 -0.013 0.000 0.203 391 L C 2.349 179.164 176.870 -0.092 0.000 1.074 391 L CA 0.746 55.524 54.840 -0.103 0.000 0.749 391 L CB -0.203 41.781 42.059 -0.124 0.000 0.907 391 L HN 0.310 nan 8.230 nan 0.000 0.439 392 L N -0.339 120.804 121.223 -0.133 0.000 2.079 392 L HA -0.269 4.064 4.340 -0.013 0.000 0.210 392 L C 2.526 179.326 176.870 -0.118 0.000 1.081 392 L CA 1.305 56.041 54.840 -0.173 0.000 0.752 392 L CB -0.409 41.542 42.059 -0.179 0.000 0.896 392 L HN 0.367 nan 8.230 nan 0.000 0.433 393 E N -0.550 119.623 120.200 -0.044 0.000 2.085 393 E HA -0.226 4.116 4.350 -0.013 0.000 0.194 393 E C 1.935 178.564 176.600 0.048 0.000 0.994 393 E CA 1.931 58.340 56.400 0.014 0.000 0.801 393 E CB 0.125 29.874 29.700 0.081 0.000 0.743 393 E HN 0.416 nan 8.360 nan 0.000 0.453 394 T N 0.764 115.368 114.554 0.082 0.000 2.809 394 T HA -0.081 4.261 4.350 -0.013 0.000 0.260 394 T C 1.714 176.515 174.700 0.167 0.000 1.039 394 T CA 0.756 62.952 62.100 0.161 0.000 1.141 394 T CB -0.130 68.864 68.868 0.210 0.000 0.869 394 T HN 0.062 nan 8.240 nan 0.000 0.437 395 L N 0.118 121.340 121.223 -0.001 0.000 2.095 395 L HA 0.328 4.660 4.340 -0.013 0.000 0.204 395 L C 0.350 177.132 176.870 -0.145 0.000 1.080 395 L CA 1.617 56.327 54.840 -0.217 0.000 0.759 395 L CB -0.015 41.883 42.059 -0.269 0.000 0.914 395 L HN 0.175 nan 8.230 nan 0.000 0.439 396 L N 0.664 121.765 121.223 -0.203 0.000 2.529 396 L HA 0.296 4.629 4.340 -0.013 0.000 0.246 396 L C -1.659 175.020 176.870 -0.318 0.000 1.394 396 L CA -1.073 53.555 54.840 -0.353 0.000 0.906 396 L CB 0.901 42.576 42.059 -0.640 0.000 1.170 396 L HN -0.061 nan 8.230 nan 0.000 0.501 397 P HA -0.225 nan 4.420 nan 0.000 0.216 397 P C 1.498 178.611 177.300 -0.312 0.000 1.153 397 P CA 1.329 64.307 63.100 -0.202 0.000 0.858 397 P CB 0.346 32.001 31.700 -0.075 0.000 0.789 398 R N -0.669 119.473 120.500 -0.597 0.000 2.115 398 R HA -0.130 4.203 4.340 -0.013 0.000 0.226 398 R C 2.330 178.346 176.300 -0.474 0.000 1.100 398 R CA 1.397 57.164 56.100 -0.554 0.000 0.980 398 R CB -1.194 28.632 30.300 -0.791 0.000 0.875 398 R HN 0.211 nan 8.270 nan 0.000 0.445 399 H N -0.256 118.501 119.070 -0.522 0.000 2.423 399 H HA -0.047 4.501 4.556 -0.013 0.000 0.297 399 H C 1.729 176.884 175.328 -0.288 0.000 1.075 399 H CA 1.567 57.393 56.048 -0.369 0.000 1.342 399 H CB -0.013 29.495 29.762 -0.423 0.000 1.395 399 H HN 0.110 nan 8.280 nan 0.000 0.530 400 L N 0.388 121.488 121.223 -0.206 0.000 2.056 400 L HA -0.222 4.110 4.340 -0.013 0.000 0.207 400 L C 1.846 178.531 176.870 -0.307 0.000 1.078 400 L CA 1.575 56.229 54.840 -0.310 0.000 0.749 400 L CB -0.295 41.600 42.059 -0.273 0.000 0.901 400 L HN 0.421 nan 8.230 nan 0.000 0.433 401 Q N -0.304 119.421 119.800 -0.125 0.000 2.084 401 Q HA -0.239 4.093 4.340 -0.013 0.000 0.202 401 Q C 2.182 178.201 176.000 0.031 0.000 0.978 401 Q CA 1.660 57.478 55.803 0.026 0.000 0.844 401 Q CB -0.069 28.684 28.738 0.025 0.000 0.898 401 Q HN 0.543 nan 8.270 nan 0.000 0.426 402 I N 0.359 120.921 120.570 -0.012 0.000 2.252 402 I HA -0.279 3.883 4.170 -0.013 0.000 0.245 402 I C 2.122 178.308 176.117 0.114 0.000 1.102 402 I CA 1.031 62.402 61.300 0.119 0.000 1.385 402 I CB -0.113 37.895 38.000 0.014 0.000 1.064 402 I HN 0.211 nan 8.210 nan 0.000 0.414 403 I N -0.581 119.977 120.570 -0.020 0.000 2.226 403 I HA -0.317 3.846 4.170 -0.013 0.000 0.245 403 I C 2.386 178.514 176.117 0.018 0.000 1.100 403 I CA 1.396 62.674 61.300 -0.036 0.000 1.374 403 I CB -0.401 37.507 38.000 -0.153 0.000 1.057 403 I HN 0.174 nan 8.210 nan 0.000 0.413 404 Y N 0.984 121.287 120.300 0.005 0.000 2.181 404 Y HA -0.271 4.271 4.550 -0.013 0.000 0.288 404 Y C 2.606 178.472 175.900 -0.057 0.000 1.146 404 Y CA 1.633 59.723 58.100 -0.016 0.000 1.164 404 Y CB -0.739 37.703 38.460 -0.030 0.000 0.982 404 Y HN 0.234 nan 8.280 nan 0.000 0.515 405 E N 0.309 120.550 120.200 0.068 0.000 2.106 405 E HA -0.133 4.209 4.350 -0.013 0.000 0.192 405 E C 1.991 178.502 176.600 -0.147 0.000 0.984 405 E CA 1.226 57.528 56.400 -0.163 0.000 0.806 405 E CB -0.553 28.892 29.700 -0.425 0.000 0.750 405 E HN 0.484 nan 8.360 nan 0.000 0.458 406 I N 0.630 121.210 120.570 0.016 0.000 2.252 406 I HA -0.243 3.919 4.170 -0.013 0.000 0.245 406 I C 2.266 178.381 176.117 -0.003 0.000 1.102 406 I CA 1.241 62.506 61.300 -0.060 0.000 1.385 406 I CB -0.358 37.618 38.000 -0.040 0.000 1.064 406 I HN 0.215 nan 8.210 nan 0.000 0.414 407 N N 0.753 119.504 118.700 0.086 0.000 2.069 407 N HA -0.262 4.471 4.740 -0.013 0.000 0.191 407 N C 1.863 177.459 175.510 0.143 0.000 1.031 407 N CA 1.612 54.769 53.050 0.178 0.000 0.852 407 N CB -0.120 38.490 38.487 0.204 0.000 1.018 407 N HN 0.263 nan 8.380 nan 0.000 0.423 408 Q N -0.187 119.641 119.800 0.046 0.000 2.045 408 Q HA -0.143 4.190 4.340 -0.013 0.000 0.206 408 Q C 2.050 178.030 176.000 -0.033 0.000 0.991 408 Q CA 1.763 57.554 55.803 -0.020 0.000 0.851 408 Q CB -0.002 28.679 28.738 -0.095 0.000 0.911 408 Q HN 0.420 nan 8.270 nan 0.000 0.418 409 R N -0.860 119.600 120.500 -0.068 0.000 2.115 409 R HA -0.115 4.217 4.340 -0.013 0.000 0.230 409 R C 2.154 178.480 176.300 0.043 0.000 1.111 409 R CA 1.079 57.139 56.100 -0.065 0.000 0.976 409 R CB -0.377 29.831 30.300 -0.153 0.000 0.870 409 R HN 0.257 nan 8.270 nan 0.000 0.445 410 F N 1.879 121.801 119.950 -0.045 0.000 2.084 410 F HA -0.091 4.429 4.527 -0.013 0.000 0.296 410 F C 1.945 177.767 175.800 0.037 0.000 1.111 410 F CA 1.269 59.290 58.000 0.035 0.000 1.224 410 F CB -0.377 38.675 39.000 0.086 0.000 0.991 410 F HN -0.143 nan 8.300 nan 0.000 0.471 411 L N 0.183 121.379 121.223 -0.044 0.000 2.127 411 L HA -0.281 4.052 4.340 -0.013 0.000 0.211 411 L C 2.025 178.807 176.870 -0.146 0.000 1.089 411 L CA 1.812 56.561 54.840 -0.151 0.000 0.757 411 L CB -0.919 41.132 42.059 -0.013 0.000 0.899 411 L HN 0.288 nan 8.230 nan 0.000 0.434 412 N N -0.464 118.182 118.700 -0.091 0.000 2.244 412 N HA -0.176 4.557 4.740 -0.013 0.000 0.183 412 N C 1.938 177.393 175.510 -0.092 0.000 1.016 412 N CA 0.624 53.628 53.050 -0.077 0.000 0.866 412 N CB 0.012 38.464 38.487 -0.059 0.000 0.980 412 N HN 0.236 nan 8.380 nan 0.000 0.430 413 R N 0.577 121.006 120.500 -0.118 0.000 2.066 413 R HA -0.057 4.275 4.340 -0.013 0.000 0.232 413 R C 2.106 178.314 176.300 -0.153 0.000 1.131 413 R CA 0.896 56.930 56.100 -0.111 0.000 0.955 413 R CB -0.195 30.054 30.300 -0.084 0.000 0.851 413 R HN 0.038 nan 8.270 nan 0.000 0.432 414 V N 0.696 120.464 119.914 -0.245 0.000 2.261 414 V HA -0.263 3.850 4.120 -0.013 0.000 0.246 414 V C 2.383 178.475 176.094 -0.004 0.000 1.047 414 V CA 2.003 64.228 62.300 -0.124 0.000 1.015 414 V CB -0.875 30.795 31.823 -0.256 0.000 0.642 414 V HN 0.476 nan 8.190 nan 0.000 0.446 415 A N 0.211 123.001 122.820 -0.051 0.000 1.892 415 A HA -0.230 4.082 4.320 -0.013 0.000 0.218 415 A C 2.396 179.957 177.584 -0.038 0.000 1.188 415 A CA 2.546 54.569 52.037 -0.023 0.000 0.631 415 A CB -0.923 18.052 19.000 -0.041 0.000 0.822 415 A HN 0.640 nan 8.150 nan 0.000 0.447 416 A N -0.846 121.932 122.820 -0.070 0.000 2.015 416 A HA 0.254 4.566 4.320 -0.013 0.000 0.219 416 A C 2.348 179.843 177.584 -0.149 0.000 1.163 416 A CA 1.899 53.883 52.037 -0.088 0.000 0.646 416 A CB -0.651 18.303 19.000 -0.077 0.000 0.806 416 A HN 1.044 nan 8.150 nan 0.000 0.448 417 A N -1.601 121.084 122.820 -0.224 0.000 1.984 417 A HA 0.420 4.732 4.320 -0.013 0.000 0.214 417 A C 0.415 177.541 177.584 -0.763 0.000 1.173 417 A CA 0.411 52.140 52.037 -0.513 0.000 0.673 417 A CB -0.056 18.552 19.000 -0.654 0.000 0.830 417 A HN 0.411 nan 8.150 nan 0.000 0.453 418 F N 0.297 120.198 119.950 -0.082 0.000 2.531 418 F HA 0.354 4.873 4.527 -0.013 0.000 0.333 418 F C -2.773 172.987 175.800 -0.066 0.000 1.292 418 F CA -2.864 55.092 58.000 -0.073 0.000 1.184 418 F CB 0.805 39.752 39.000 -0.087 0.000 1.426 418 F HN -0.070 nan 8.300 nan 0.000 0.559 419 P HA 0.162 nan 4.420 nan 0.000 0.263 419 P C 1.025 178.343 177.300 0.030 0.000 1.195 419 P CA 1.074 64.184 63.100 0.017 0.000 0.762 419 P CB 0.800 32.492 31.700 -0.014 0.000 0.799 420 G N 2.890 111.701 108.800 0.018 0.000 2.225 420 G HA2 -0.249 3.704 3.960 -0.013 0.000 0.254 420 G HA3 -0.249 3.704 3.960 -0.013 0.000 0.254 420 G C 0.390 175.297 174.900 0.013 0.000 0.988 420 G CA -0.026 45.081 45.100 0.011 0.000 0.625 420 G HN 0.577 nan 8.290 nan 0.000 0.527 421 D N 1.108 121.526 120.400 0.029 0.000 2.545 421 D HA 0.370 5.003 4.640 -0.013 0.000 0.227 421 D C 1.599 177.886 176.300 -0.022 0.000 1.150 421 D CA 0.443 54.444 54.000 0.001 0.000 1.046 421 D CB 0.552 41.349 40.800 -0.004 0.000 1.098 421 D HN 0.135 nan 8.370 nan 0.000 0.502 422 V N 2.682 122.585 119.914 -0.018 0.000 2.626 422 V HA -0.200 3.912 4.120 -0.013 0.000 0.252 422 V C 1.683 177.762 176.094 -0.026 0.000 1.067 422 V CA 1.796 64.084 62.300 -0.020 0.000 1.081 422 V CB 0.037 31.853 31.823 -0.013 0.000 0.686 422 V HN 0.371 nan 8.190 nan 0.000 0.468 423 D N -0.489 119.892 120.400 -0.033 0.000 2.194 423 D HA -0.156 4.476 4.640 -0.013 0.000 0.204 423 D C 2.308 178.577 176.300 -0.051 0.000 0.964 423 D CA 1.042 55.023 54.000 -0.032 0.000 0.846 423 D CB -0.159 40.623 40.800 -0.030 0.000 0.962 423 D HN 0.375 nan 8.370 nan 0.000 0.490 424 R N -0.324 120.119 120.500 -0.094 0.000 2.091 424 R HA -0.144 4.188 4.340 -0.013 0.000 0.238 424 R C 1.894 178.117 176.300 -0.128 0.000 1.136 424 R CA 0.956 56.961 56.100 -0.159 0.000 0.959 424 R CB -0.318 29.825 30.300 -0.261 0.000 0.856 424 R HN 0.154 nan 8.270 nan 0.000 0.437 425 L N 1.339 122.511 121.223 -0.086 0.000 1.990 425 L HA -0.213 4.119 4.340 -0.013 0.000 0.213 425 L C 2.595 179.462 176.870 -0.005 0.000 1.072 425 L CA 2.278 57.085 54.840 -0.055 0.000 0.755 425 L CB -0.844 41.194 42.059 -0.034 0.000 0.889 425 L HN 0.317 nan 8.230 nan 0.000 0.432 426 R N -1.054 119.453 120.500 0.011 0.000 2.092 426 R HA -0.099 4.233 4.340 -0.013 0.000 0.231 426 R C 2.218 178.570 176.300 0.087 0.000 1.119 426 R CA 1.207 57.337 56.100 0.050 0.000 0.970 426 R CB -0.681 29.641 30.300 0.038 0.000 0.864 426 R HN 0.180 nan 8.270 nan 0.000 0.440 427 R N 0.108 120.643 120.500 0.057 0.000 2.092 427 R HA 0.070 4.402 4.340 -0.013 0.000 0.231 427 R C 2.082 178.488 176.300 0.177 0.000 1.119 427 R CA 1.893 58.055 56.100 0.103 0.000 0.970 427 R CB -0.174 30.145 30.300 0.031 0.000 0.864 427 R HN 0.331 nan 8.270 nan 0.000 0.440 428 M N -0.052 119.573 119.600 0.042 0.000 2.541 428 M HA 0.026 4.499 4.480 -0.013 0.000 0.252 428 M C 0.845 177.330 176.300 0.309 0.000 1.125 428 M CA 0.022 55.309 55.300 -0.021 0.000 1.091 428 M CB 0.441 32.842 32.600 -0.332 0.000 1.420 428 M HN -0.074 nan 8.290 nan 0.000 0.486 429 S N 0.917 116.795 115.700 0.296 0.000 2.558 429 S HA 0.017 4.479 4.470 -0.013 0.000 0.287 429 S C 1.117 175.997 174.600 0.466 0.000 1.321 429 S CA -0.123 58.277 58.200 0.334 0.000 1.048 429 S CB 0.525 63.856 63.200 0.218 0.000 0.844 429 S HN 0.355 nan 8.310 nan 0.000 0.512 430 L N 3.824 125.268 121.223 0.368 0.000 2.418 430 L HA 0.135 4.467 4.340 -0.013 0.000 0.218 430 L C 0.153 177.134 176.870 0.184 0.000 1.125 430 L CA 0.261 55.272 54.840 0.285 0.000 0.835 430 L CB -0.291 41.878 42.059 0.184 0.000 0.953 430 L HN 0.383 nan 8.230 nan 0.000 0.454 431 V N 0.631 120.667 119.914 0.204 0.000 2.370 431 V HA 0.204 4.317 4.120 -0.013 0.000 0.279 431 V C -0.025 176.156 176.094 0.145 0.000 1.029 431 V CA -0.613 61.792 62.300 0.175 0.000 0.870 431 V CB 1.607 33.572 31.823 0.236 0.000 0.984 431 V HN 0.159 nan 8.190 nan 0.000 0.451 432 E N 3.105 123.369 120.200 0.106 0.000 2.134 432 E HA 0.434 4.776 4.350 -0.013 0.000 0.278 432 E C -0.731 175.918 176.600 0.082 0.000 0.959 432 E CA -0.547 55.905 56.400 0.086 0.000 0.783 432 E CB 2.008 31.737 29.700 0.049 0.000 1.095 432 E HN 0.624 nan 8.360 nan 0.000 0.399 433 E N 0.985 121.231 120.200 0.076 0.000 2.280 433 E HA 0.659 5.002 4.350 -0.013 0.000 0.264 433 E C 0.159 176.793 176.600 0.057 0.000 1.064 433 E CA 0.325 56.765 56.400 0.067 0.000 0.900 433 E CB 1.510 31.244 29.700 0.056 0.000 1.123 433 E HN 0.639 nan 8.360 nan 0.000 0.418 434 G N -0.047 108.785 108.800 0.053 0.000 2.291 434 G HA2 0.224 4.177 3.960 -0.013 0.000 0.249 434 G HA3 0.224 4.177 3.960 -0.013 0.000 0.249 434 G C 0.543 175.473 174.900 0.050 0.000 1.340 434 G CA 0.304 45.432 45.100 0.046 0.000 1.017 434 G HN 0.662 nan 8.290 nan 0.000 0.470 435 A N -0.827 122.021 122.820 0.046 0.000 1.879 435 A HA 0.225 4.538 4.320 -0.013 0.000 0.222 435 A C 1.851 179.474 177.584 0.064 0.000 1.368 435 A CA 4.698 56.764 52.037 0.048 0.000 0.707 435 A CB -1.303 17.724 19.000 0.046 0.000 0.846 435 A HN 2.443 nan 8.150 nan 0.000 0.468 436 V N -2.953 117.011 119.914 0.084 0.000 2.769 436 V HA 0.589 4.701 4.120 -0.013 0.000 0.312 436 V C -0.576 175.587 176.094 0.115 0.000 1.061 436 V CA -1.349 61.023 62.300 0.121 0.000 0.931 436 V CB 1.751 33.680 31.823 0.175 0.000 1.010 436 V HN 0.416 nan 8.190 nan 0.000 0.433 437 K N 4.002 124.481 120.400 0.131 0.000 2.326 437 K HA 0.524 4.836 4.320 -0.013 0.000 0.275 437 K C -0.438 176.229 176.600 0.113 0.000 1.018 437 K CA -0.287 56.072 56.287 0.120 0.000 0.962 437 K CB 1.055 33.640 32.500 0.141 0.000 0.953 437 K HN 0.724 nan 8.250 nan 0.000 0.475 438 R N 1.194 121.748 120.500 0.090 0.000 2.888 438 R HA 0.514 4.846 4.340 -0.013 0.000 0.264 438 R C -0.656 175.680 176.300 0.059 0.000 1.045 438 R CA -1.016 55.126 56.100 0.069 0.000 0.962 438 R CB 1.331 31.654 30.300 0.038 0.000 1.210 438 R HN 0.387 nan 8.270 nan 0.000 0.479 439 I N 1.834 122.433 120.570 0.047 0.000 2.389 439 I HA 0.173 4.335 4.170 -0.013 0.000 0.288 439 I C -0.407 175.692 176.117 -0.030 0.000 0.999 439 I CA -0.772 60.543 61.300 0.025 0.000 1.129 439 I CB 1.425 39.438 38.000 0.021 0.000 1.288 439 I HN 0.498 nan 8.210 nan 0.000 0.444 440 N N 7.049 125.702 118.700 -0.078 0.000 2.448 440 N HA 0.080 4.812 4.740 -0.013 0.000 0.250 440 N C 0.923 176.330 175.510 -0.171 0.000 1.136 440 N CA -0.335 52.590 53.050 -0.209 0.000 0.953 440 N CB 0.837 39.063 38.487 -0.436 0.000 1.251 440 N HN 0.376 nan 8.380 nan 0.000 0.502 441 M N 2.291 121.796 119.600 -0.159 0.000 2.149 441 M HA -0.131 4.341 4.480 -0.013 0.000 0.261 441 M C 1.964 178.119 176.300 -0.240 0.000 1.064 441 M CA 1.002 56.219 55.300 -0.137 0.000 1.102 441 M CB -1.641 30.911 32.600 -0.080 0.000 1.369 441 M HN 0.606 nan 8.290 nan 0.000 0.408 442 A N -0.836 121.836 122.820 -0.247 0.000 1.902 442 A HA -0.184 4.128 4.320 -0.013 0.000 0.217 442 A C 2.019 179.385 177.584 -0.364 0.000 1.181 442 A CA 1.589 53.444 52.037 -0.304 0.000 0.623 442 A CB -1.156 17.853 19.000 0.015 0.000 0.818 442 A HN 0.630 nan 8.150 nan 0.000 0.443 443 H N -1.151 117.707 119.070 -0.353 0.000 2.423 443 H HA -0.009 4.539 4.556 -0.013 0.000 0.297 443 H C 2.101 177.214 175.328 -0.360 0.000 1.075 443 H CA 0.861 56.664 56.048 -0.409 0.000 1.342 443 H CB -0.025 29.709 29.762 -0.048 0.000 1.395 443 H HN 0.379 nan 8.280 nan 0.000 0.530 444 L N 0.283 121.421 121.223 -0.142 0.000 2.017 444 L HA -0.224 4.109 4.340 -0.013 0.000 0.208 444 L C 2.261 178.994 176.870 -0.228 0.000 1.073 444 L CA 1.258 56.014 54.840 -0.140 0.000 0.745 444 L CB -0.350 41.650 42.059 -0.099 0.000 0.894 444 L HN 0.443 nan 8.230 nan 0.000 0.432 445 C N -0.010 119.051 119.300 -0.398 0.000 2.429 445 C HA -0.172 4.280 4.460 -0.013 0.000 0.277 445 C C 2.657 177.400 174.990 -0.412 0.000 1.262 445 C CA 0.540 59.246 59.018 -0.520 0.000 1.733 445 C CB -0.771 26.270 27.740 -1.165 0.000 2.010 445 C HN 0.505 nan 8.230 nan 0.000 0.483 446 I N 1.449 121.734 120.570 -0.475 0.000 2.179 446 I HA -0.211 3.951 4.170 -0.013 0.000 0.242 446 I C 2.755 178.721 176.117 -0.252 0.000 1.088 446 I CA 1.673 62.737 61.300 -0.392 0.000 1.357 446 I CB -0.530 37.105 38.000 -0.608 0.000 1.051 446 I HN 0.277 nan 8.210 nan 0.000 0.409 447 A N 0.472 123.119 122.820 -0.288 0.000 1.933 447 A HA -0.091 4.222 4.320 -0.013 0.000 0.218 447 A C 2.191 179.797 177.584 0.037 0.000 1.175 447 A CA 1.845 53.751 52.037 -0.219 0.000 0.628 447 A CB -1.134 17.555 19.000 -0.518 0.000 0.814 447 A HN 0.476 nan 8.150 nan 0.000 0.444 448 G N -0.999 107.770 108.800 -0.051 0.000 3.371 448 G HA2 0.427 4.379 3.960 -0.013 0.000 0.248 448 G HA3 0.427 4.379 3.960 -0.013 0.000 0.248 448 G C 0.032 174.760 174.900 -0.287 0.000 1.161 448 G CA 0.479 45.419 45.100 -0.266 0.000 0.796 448 G HN 0.348 nan 8.290 nan 0.000 0.539 449 S N -0.403 115.186 115.700 -0.185 0.000 2.542 449 S HA 0.332 4.795 4.470 -0.013 0.000 0.293 449 S C 0.575 175.118 174.600 -0.094 0.000 1.089 449 S CA -0.736 57.380 58.200 -0.140 0.000 0.961 449 S CB 1.272 64.392 63.200 -0.133 0.000 1.062 449 S HN 0.501 nan 8.310 nan 0.000 0.483 450 H N -0.341 118.693 119.070 -0.060 0.000 2.539 450 H HA 0.570 5.119 4.556 -0.013 0.000 0.269 450 H C 0.010 175.331 175.328 -0.012 0.000 0.980 450 H CA 0.107 56.148 56.048 -0.012 0.000 1.152 450 H CB 0.129 29.894 29.762 0.006 0.000 1.407 450 H HN 0.540 nan 8.280 nan 0.000 0.564 451 A N 0.820 123.374 122.820 -0.443 0.000 2.540 451 A HA 0.535 4.847 4.320 -0.013 0.000 0.297 451 A C -1.545 175.845 177.584 -0.324 0.000 1.056 451 A CA -0.558 51.264 52.037 -0.359 0.000 0.700 451 A CB 1.985 20.749 19.000 -0.394 0.000 1.280 451 A HN 0.094 nan 8.150 nan 0.000 0.398 452 V N 4.065 123.753 119.914 -0.376 0.000 2.531 452 V HA 0.594 4.706 4.120 -0.013 0.000 0.301 452 V C -0.646 175.272 176.094 -0.294 0.000 1.034 452 V CA -0.718 61.351 62.300 -0.385 0.000 0.865 452 V CB 1.852 33.286 31.823 -0.647 0.000 0.995 452 V HN 1.034 nan 8.190 nan 0.000 0.424 453 N N 2.894 121.435 118.700 -0.265 0.000 2.262 453 N HA 0.620 5.353 4.740 -0.013 0.000 0.295 453 N C -0.312 175.096 175.510 -0.170 0.000 1.161 453 N CA -0.384 52.553 53.050 -0.188 0.000 0.767 453 N CB 2.896 41.255 38.487 -0.213 0.000 1.499 453 N HN 0.649 nan 8.380 nan 0.000 0.476 454 G N -0.843 107.889 108.800 -0.112 0.000 2.531 454 G HA2 0.432 4.385 3.960 -0.013 0.000 0.313 454 G HA3 0.432 4.385 3.960 -0.013 0.000 0.313 454 G C 0.737 175.698 174.900 0.100 0.000 1.238 454 G CA -0.473 44.605 45.100 -0.038 0.000 0.994 454 G HN 0.616 nan 8.290 nan 0.000 0.493 455 V N -3.730 116.376 119.914 0.320 0.000 3.427 455 V HA 0.692 4.804 4.120 -0.013 0.000 0.305 455 V C 0.561 176.742 176.094 0.145 0.000 1.412 455 V CA 0.353 62.747 62.300 0.157 0.000 1.086 455 V CB -0.752 31.116 31.823 0.076 0.000 0.964 455 V HN 1.324 nan 8.190 nan 0.000 0.439 456 A N -0.141 122.776 122.820 0.161 0.000 2.605 456 A HA 0.632 4.944 4.320 -0.013 0.000 0.294 456 A C 0.678 178.312 177.584 0.083 0.000 1.062 456 A CA -0.156 51.949 52.037 0.113 0.000 0.682 456 A CB 1.215 20.271 19.000 0.094 0.000 1.278 456 A HN 0.006 nan 8.150 nan 0.000 0.410 457 R N 0.784 121.312 120.500 0.047 0.000 2.096 457 R HA -0.180 4.152 4.340 -0.013 0.000 0.240 457 R C 1.748 178.043 176.300 -0.008 0.000 1.139 457 R CA 2.358 58.462 56.100 0.007 0.000 0.952 457 R CB -0.229 30.072 30.300 0.001 0.000 0.854 457 R HN 0.843 nan 8.270 nan 0.000 0.436 458 I N 0.048 120.623 120.570 0.008 0.000 2.315 458 I HA -0.265 3.897 4.170 -0.013 0.000 0.248 458 I C 2.328 178.449 176.117 0.006 0.000 1.117 458 I CA 1.843 63.139 61.300 -0.007 0.000 1.404 458 I CB -0.296 37.701 38.000 -0.006 0.000 1.071 458 I HN 0.309 nan 8.210 nan 0.000 0.419 459 H N 0.665 119.706 119.070 -0.049 0.000 2.321 459 H HA -0.143 4.405 4.556 -0.013 0.000 0.300 459 H C 2.235 177.527 175.328 -0.060 0.000 1.087 459 H CA 2.271 58.286 56.048 -0.056 0.000 1.319 459 H CB -0.394 29.342 29.762 -0.044 0.000 1.379 459 H HN 0.289 nan 8.280 nan 0.000 0.501 460 S N 0.164 115.729 115.700 -0.226 0.000 2.382 460 S HA -0.128 4.334 4.470 -0.013 0.000 0.228 460 S C 1.938 176.404 174.600 -0.223 0.000 1.027 460 S CA 1.239 59.284 58.200 -0.260 0.000 0.991 460 S CB -0.093 63.032 63.200 -0.125 0.000 0.823 460 S HN 0.482 nan 8.310 nan 0.000 0.469 461 E N 1.006 121.104 120.200 -0.170 0.000 2.072 461 E HA -0.009 4.333 4.350 -0.013 0.000 0.191 461 E C 2.003 178.485 176.600 -0.197 0.000 0.985 461 E CA 0.620 56.913 56.400 -0.179 0.000 0.801 461 E CB -0.383 29.244 29.700 -0.121 0.000 0.750 461 E HN 0.490 nan 8.360 nan 0.000 0.452 462 I N 0.910 121.379 120.570 -0.169 0.000 2.264 462 I HA -0.280 3.882 4.170 -0.013 0.000 0.248 462 I C 2.322 178.311 176.117 -0.214 0.000 1.111 462 I CA 0.767 61.973 61.300 -0.157 0.000 1.382 462 I CB -0.120 37.820 38.000 -0.100 0.000 1.060 462 I HN 0.065 nan 8.210 nan 0.000 0.418 463 L N 0.061 121.121 121.223 -0.271 0.000 2.046 463 L HA -0.237 4.096 4.340 -0.013 0.000 0.208 463 L C 2.489 179.227 176.870 -0.220 0.000 1.077 463 L CA 1.523 56.211 54.840 -0.255 0.000 0.747 463 L CB -0.615 41.371 42.059 -0.121 0.000 0.896 463 L HN 0.191 nan 8.230 nan 0.000 0.432 464 K N 0.030 120.230 120.400 -0.333 0.000 2.103 464 K HA -0.133 4.179 4.320 -0.013 0.000 0.204 464 K C 2.120 178.517 176.600 -0.338 0.000 1.052 464 K CA 1.080 57.031 56.287 -0.560 0.000 0.945 464 K CB 0.057 32.013 32.500 -0.907 0.000 0.722 464 K HN 0.241 nan 8.250 nan 0.000 0.443 465 K N -0.348 119.910 120.400 -0.237 0.000 2.211 465 K HA 0.011 4.323 4.320 -0.013 0.000 0.201 465 K C 1.386 177.928 176.600 -0.098 0.000 1.052 465 K CA 0.987 57.191 56.287 -0.138 0.000 0.973 465 K CB 0.434 32.863 32.500 -0.117 0.000 0.766 465 K HN 0.074 nan 8.250 nan 0.000 0.466 466 T N 0.478 114.959 114.554 -0.122 0.000 3.066 466 T HA 0.059 4.401 4.350 -0.013 0.000 0.176 466 T C 1.527 176.162 174.700 -0.109 0.000 0.826 466 T CA -0.354 61.684 62.100 -0.103 0.000 1.280 466 T CB -0.456 68.345 68.868 -0.112 0.000 2.214 466 T HN -0.074 nan 8.240 nan 0.000 0.399 467 I N 0.999 121.439 120.570 -0.218 0.000 2.143 467 I HA -0.180 3.982 4.170 -0.013 0.000 0.245 467 I C 0.769 176.767 176.117 -0.199 0.000 1.068 467 I CA 1.878 62.969 61.300 -0.347 0.000 1.326 467 I CB -0.181 37.389 38.000 -0.717 0.000 1.028 467 I HN 0.374 nan 8.210 nan 0.000 0.412 468 F N -0.363 119.647 119.950 0.100 0.000 2.850 468 F HA 0.223 4.743 4.527 -0.013 0.000 0.306 468 F C 1.747 177.624 175.800 0.128 0.000 1.162 468 F CA -0.493 57.638 58.000 0.218 0.000 1.327 468 F CB -0.157 38.980 39.000 0.229 0.000 0.953 468 F HN -0.115 nan 8.300 nan 0.000 0.507 469 K N 0.979 121.482 120.400 0.172 0.000 2.020 469 K HA -0.214 4.099 4.320 -0.013 0.000 0.212 469 K C 1.317 177.971 176.600 0.090 0.000 1.050 469 K CA 2.156 58.492 56.287 0.082 0.000 0.929 469 K CB -0.042 32.473 32.500 0.025 0.000 0.714 469 K HN 0.231 nan 8.250 nan 0.000 0.443 470 D N -0.129 120.296 120.400 0.041 0.000 2.149 470 D HA -0.170 4.463 4.640 -0.013 0.000 0.198 470 D C 1.822 178.033 176.300 -0.147 0.000 0.990 470 D CA 1.234 55.135 54.000 -0.164 0.000 0.839 470 D CB -0.333 40.268 40.800 -0.331 0.000 0.948 470 D HN 0.230 nan 8.370 nan 0.000 0.460 471 F N -0.288 119.738 119.950 0.128 0.000 2.234 471 F HA -0.132 4.388 4.527 -0.013 0.000 0.299 471 F C 2.280 178.237 175.800 0.261 0.000 1.087 471 F CA 0.444 58.603 58.000 0.265 0.000 1.340 471 F CB -0.489 38.744 39.000 0.388 0.000 1.031 471 F HN -0.027 nan 8.300 nan 0.000 0.500 472 Y N 1.261 121.537 120.300 -0.040 0.000 2.263 472 Y HA -0.131 4.411 4.550 -0.013 0.000 0.292 472 Y C 2.072 177.956 175.900 -0.027 0.000 1.130 472 Y CA 1.436 59.331 58.100 -0.342 0.000 1.179 472 Y CB -0.572 37.509 38.460 -0.632 0.000 0.998 472 Y HN 0.110 nan 8.280 nan 0.000 0.532 473 E N -0.031 120.102 120.200 -0.111 0.000 2.150 473 E HA -0.186 4.156 4.350 -0.013 0.000 0.193 473 E C 2.242 178.888 176.600 0.078 0.000 0.985 473 E CA 0.965 57.314 56.400 -0.085 0.000 0.814 473 E CB -0.181 29.527 29.700 0.013 0.000 0.752 473 E HN 0.439 nan 8.360 nan 0.000 0.466 474 L N 0.876 122.193 121.223 0.157 0.000 2.023 474 L HA -0.095 4.238 4.340 -0.013 0.000 0.205 474 L C 0.198 177.145 176.870 0.129 0.000 1.073 474 L CA 1.511 56.479 54.840 0.214 0.000 0.745 474 L CB 0.097 42.290 42.059 0.223 0.000 0.900 474 L HN 0.073 nan 8.230 nan 0.000 0.435 475 E N 0.107 120.377 120.200 0.118 0.000 2.914 475 E HA 0.176 4.518 4.350 -0.013 0.000 0.246 475 E C -1.989 174.539 176.600 -0.119 0.000 1.146 475 E CA -1.497 54.858 56.400 -0.076 0.000 0.803 475 E CB 0.983 30.595 29.700 -0.148 0.000 1.409 475 E HN 0.210 nan 8.360 nan 0.000 0.392 476 P HA -0.247 nan 4.420 nan 0.000 0.219 476 P C 1.166 178.574 177.300 0.180 0.000 1.146 476 P CA 1.364 64.385 63.100 -0.131 0.000 0.808 476 P CB -0.078 31.419 31.700 -0.339 0.000 0.779 477 H N 0.215 119.399 119.070 0.190 0.000 2.457 477 H HA 0.066 4.614 4.556 -0.013 0.000 0.294 477 H C 1.512 176.936 175.328 0.160 0.000 1.064 477 H CA 0.801 56.946 56.048 0.162 0.000 1.330 477 H CB -0.619 29.207 29.762 0.106 0.000 1.395 477 H HN 0.138 nan 8.280 nan 0.000 0.541 478 K N 0.447 120.777 120.400 -0.117 0.000 2.148 478 K HA 0.015 4.328 4.320 -0.013 0.000 0.204 478 K C -0.041 176.422 176.600 -0.228 0.000 1.050 478 K CA 0.408 56.596 56.287 -0.164 0.000 0.942 478 K CB 0.017 32.274 32.500 -0.405 0.000 0.724 478 K HN 0.104 nan 8.250 nan 0.000 0.446 479 F N 1.971 121.961 119.950 0.066 0.000 2.472 479 F HA 0.114 4.633 4.527 -0.013 0.000 0.364 479 F C 0.634 176.440 175.800 0.010 0.000 1.090 479 F CA -0.059 57.971 58.000 0.052 0.000 1.188 479 F CB 0.685 39.757 39.000 0.120 0.000 1.105 479 F HN -0.032 nan 8.300 nan 0.000 0.536 480 Q N 1.849 121.682 119.800 0.054 0.000 2.991 480 Q HA 0.439 4.772 4.340 -0.013 0.000 0.322 480 Q C -1.174 174.787 176.000 -0.065 0.000 0.978 480 Q CA -1.357 54.434 55.803 -0.021 0.000 0.787 480 Q CB 2.783 31.460 28.738 -0.101 0.000 1.492 480 Q HN 0.632 nan 8.270 nan 0.000 0.498 481 N N 0.125 118.762 118.700 -0.105 0.000 2.242 481 N HA 0.279 5.012 4.740 -0.013 0.000 0.292 481 N C -1.701 173.708 175.510 -0.168 0.000 1.125 481 N CA -0.400 52.585 53.050 -0.108 0.000 0.783 481 N CB 1.546 39.994 38.487 -0.066 0.000 1.558 481 N HN 0.323 nan 8.380 nan 0.000 0.472 482 K N 2.509 122.819 120.400 -0.151 0.000 2.764 482 K HA 0.172 4.485 4.320 -0.013 0.000 0.239 482 K C -1.058 175.553 176.600 0.018 0.000 1.048 482 K CA -0.457 55.716 56.287 -0.190 0.000 1.057 482 K CB 1.148 33.308 32.500 -0.566 0.000 1.251 482 K HN 0.573 nan 8.250 nan 0.000 0.524 483 T N 1.953 116.537 114.554 0.050 0.000 2.908 483 T HA 0.031 4.373 4.350 -0.013 0.000 0.301 483 T C 0.798 175.631 174.700 0.222 0.000 1.019 483 T CA 0.438 62.620 62.100 0.137 0.000 1.152 483 T CB 0.277 69.234 68.868 0.147 0.000 0.966 483 T HN 0.341 nan 8.240 nan 0.000 0.540 484 N N 0.594 119.443 118.700 0.249 0.000 2.297 484 N HA 0.420 5.152 4.740 -0.013 0.000 0.232 484 N C 0.506 176.202 175.510 0.310 0.000 1.311 484 N CA -0.211 53.017 53.050 0.296 0.000 0.897 484 N CB 0.407 39.009 38.487 0.192 0.000 1.137 484 N HN 0.770 nan 8.380 nan 0.000 0.449 485 G N -0.648 108.340 108.800 0.314 0.000 2.645 485 G HA2 0.619 4.571 3.960 -0.013 0.000 0.292 485 G HA3 0.619 4.571 3.960 -0.013 0.000 0.292 485 G C -1.462 173.574 174.900 0.227 0.000 1.415 485 G CA -0.734 44.540 45.100 0.291 0.000 0.785 485 G HN 0.596 nan 8.290 nan 0.000 0.483 486 I N -2.678 118.016 120.570 0.206 0.000 2.969 486 I HA 0.766 4.928 4.170 -0.013 0.000 0.307 486 I C -0.226 176.050 176.117 0.267 0.000 1.149 486 I CA -1.024 60.396 61.300 0.199 0.000 1.008 486 I CB 2.387 40.408 38.000 0.035 0.000 1.232 486 I HN 0.485 nan 8.210 nan 0.000 0.435 487 T N 3.548 118.313 114.554 0.352 0.000 2.761 487 T HA 0.383 4.726 4.350 -0.013 0.000 0.296 487 T C -1.463 173.347 174.700 0.185 0.000 0.934 487 T CA -1.695 60.532 62.100 0.211 0.000 1.091 487 T CB 0.743 69.680 68.868 0.115 0.000 0.896 487 T HN 0.616 nan 8.240 nan 0.000 0.515 488 P HA 0.000 nan 4.420 nan 0.000 0.230 488 P C 1.132 178.400 177.300 -0.054 0.000 1.158 488 P CA 0.471 63.606 63.100 0.057 0.000 0.769 488 P CB 0.362 32.078 31.700 0.028 0.000 0.807 489 R N 0.269 120.688 120.500 -0.135 0.000 2.056 489 R HA 0.010 4.342 4.340 -0.013 0.000 0.227 489 R C 2.725 178.901 176.300 -0.207 0.000 1.149 489 R CA 1.537 57.512 56.100 -0.208 0.000 0.937 489 R CB -1.118 29.058 30.300 -0.206 0.000 0.835 489 R HN 0.049 nan 8.270 nan 0.000 0.430 490 R N -0.736 119.583 120.500 -0.303 0.000 2.066 490 R HA -0.106 4.226 4.340 -0.013 0.000 0.232 490 R C 1.127 177.071 176.300 -0.593 0.000 1.131 490 R CA 1.563 57.336 56.100 -0.546 0.000 0.955 490 R CB -0.220 29.567 30.300 -0.856 0.000 0.851 490 R HN 0.290 nan 8.270 nan 0.000 0.432 491 W N 0.242 121.497 121.300 -0.076 0.000 3.377 491 W HA 0.120 4.772 4.660 -0.014 0.000 0.277 491 W C 0.934 177.420 176.519 -0.055 0.000 1.311 491 W CA -0.638 56.661 57.345 -0.076 0.000 1.703 491 W CB 0.327 29.747 29.460 -0.065 0.000 1.095 491 W HN 0.268 nan 8.180 nan 0.000 0.715 492 L N -2.567 118.706 121.223 0.083 0.000 2.455 492 L HA 0.150 4.482 4.340 -0.013 0.000 0.138 492 L C 1.739 178.621 176.870 0.020 0.000 1.398 492 L CA 0.621 55.508 54.840 0.078 0.000 0.998 492 L CB -0.859 41.270 42.059 0.116 0.000 1.985 492 L HN -0.278 nan 8.230 nan 0.000 0.493 493 V N 1.393 121.296 119.914 -0.018 0.000 2.324 493 V HA -0.284 3.828 4.120 -0.013 0.000 0.250 493 V C 2.434 178.496 176.094 -0.053 0.000 1.060 493 V CA 2.573 64.850 62.300 -0.037 0.000 1.042 493 V CB -0.734 31.034 31.823 -0.093 0.000 0.650 493 V HN 0.524 nan 8.190 nan 0.000 0.450 494 L N 0.408 121.570 121.223 -0.101 0.000 2.023 494 L HA -0.160 4.173 4.340 -0.013 0.000 0.205 494 L C 2.514 179.321 176.870 -0.105 0.000 1.073 494 L CA 2.254 57.021 54.840 -0.123 0.000 0.745 494 L CB -0.270 41.665 42.059 -0.207 0.000 0.900 494 L HN 0.638 nan 8.230 nan 0.000 0.435 495 C N -1.526 117.705 119.300 -0.115 0.000 2.539 495 C HA 0.177 4.629 4.460 -0.013 0.000 0.268 495 C C 1.158 176.132 174.990 -0.027 0.000 1.395 495 C CA -0.275 58.697 59.018 -0.076 0.000 1.757 495 C CB -1.118 26.580 27.740 -0.071 0.000 1.851 495 C HN 0.585 nan 8.230 nan 0.000 0.545 496 N N 1.027 119.720 118.700 -0.010 0.000 2.703 496 N HA 0.281 5.014 4.740 -0.013 0.000 0.283 496 N C -1.792 173.728 175.510 0.017 0.000 1.851 496 N CA -1.513 51.543 53.050 0.009 0.000 0.826 496 N CB 0.778 39.279 38.487 0.023 0.000 1.239 496 N HN 0.239 nan 8.380 nan 0.000 0.495 497 P HA -0.051 nan 4.420 nan 0.000 0.218 497 P C 1.393 178.707 177.300 0.023 0.000 1.149 497 P CA 0.924 64.034 63.100 0.016 0.000 0.817 497 P CB 0.266 31.969 31.700 0.005 0.000 0.785 498 G N 0.708 109.517 108.800 0.015 0.000 2.421 498 G HA2 -0.249 3.703 3.960 -0.013 0.000 0.216 498 G HA3 -0.249 3.703 3.960 -0.013 0.000 0.216 498 G C 1.523 176.428 174.900 0.009 0.000 1.171 498 G CA 0.742 45.848 45.100 0.009 0.000 0.775 498 G HN 0.260 nan 8.290 nan 0.000 0.543 499 L N 1.276 122.505 121.223 0.011 0.000 2.093 499 L HA 0.253 4.585 4.340 -0.013 0.000 0.208 499 L C 3.019 179.916 176.870 0.045 0.000 1.085 499 L CA 2.027 56.871 54.840 0.007 0.000 0.755 499 L CB -0.669 41.396 42.059 0.010 0.000 0.904 499 L HN 0.226 nan 8.230 nan 0.000 0.435 500 A N -0.783 122.085 122.820 0.080 0.000 1.933 500 A HA -0.226 4.086 4.320 -0.013 0.000 0.218 500 A C 2.222 179.898 177.584 0.152 0.000 1.175 500 A CA 1.648 53.783 52.037 0.163 0.000 0.628 500 A CB -0.626 18.466 19.000 0.152 0.000 0.814 500 A HN 0.546 nan 8.150 nan 0.000 0.444 501 E N 0.907 121.160 120.200 0.087 0.000 2.047 501 E HA -0.173 4.169 4.350 -0.013 0.000 0.191 501 E C 1.852 178.492 176.600 0.068 0.000 0.987 501 E CA 1.681 58.124 56.400 0.072 0.000 0.799 501 E CB -0.533 29.191 29.700 0.040 0.000 0.752 501 E HN 0.734 nan 8.360 nan 0.000 0.449 502 I N -1.752 118.850 120.570 0.053 0.000 2.493 502 I HA -0.123 4.039 4.170 -0.013 0.000 0.254 502 I C 2.129 178.329 176.117 0.137 0.000 1.160 502 I CA 1.100 62.445 61.300 0.074 0.000 1.445 502 I CB -0.333 37.678 38.000 0.019 0.000 1.086 502 I HN 0.030 nan 8.210 nan 0.000 0.433 503 I N 1.935 122.560 120.570 0.091 0.000 2.286 503 I HA -0.158 4.004 4.170 -0.013 0.000 0.245 503 I C 2.974 179.054 176.117 -0.061 0.000 1.104 503 I CA 1.262 62.554 61.300 -0.012 0.000 1.397 503 I CB -0.352 37.523 38.000 -0.207 0.000 1.072 503 I HN 0.290 nan 8.210 nan 0.000 0.417 504 A N 0.203 123.073 122.820 0.082 0.000 1.969 504 A HA -0.205 4.107 4.320 -0.013 0.000 0.218 504 A C 2.157 179.773 177.584 0.054 0.000 1.169 504 A CA 1.448 53.578 52.037 0.153 0.000 0.635 504 A CB -0.515 18.607 19.000 0.203 0.000 0.810 504 A HN 0.412 nan 8.150 nan 0.000 0.445 505 E N -0.577 119.638 120.200 0.025 0.000 2.153 505 E HA -0.185 4.157 4.350 -0.013 0.000 0.194 505 E C 2.267 178.834 176.600 -0.055 0.000 0.988 505 E CA 1.155 57.555 56.400 0.000 0.000 0.811 505 E CB -0.015 29.692 29.700 0.013 0.000 0.746 505 E HN 0.519 nan 8.360 nan 0.000 0.466 506 R N 0.057 120.465 120.500 -0.152 0.000 2.087 506 R HA 0.071 4.403 4.340 -0.013 0.000 0.216 506 R C 2.335 178.523 176.300 -0.186 0.000 1.114 506 R CA 0.895 56.809 56.100 -0.310 0.000 1.002 506 R CB -0.316 29.470 30.300 -0.858 0.000 0.903 506 R HN 0.286 nan 8.270 nan 0.000 0.445 507 I N -2.462 118.017 120.570 -0.153 0.000 4.082 507 I HA 0.441 4.604 4.170 -0.013 0.000 0.337 507 I C 0.521 176.669 176.117 0.052 0.000 1.352 507 I CA 0.114 61.387 61.300 -0.045 0.000 1.097 507 I CB 0.875 38.827 38.000 -0.079 0.000 1.048 507 I HN 0.224 nan 8.210 nan 0.000 0.393 508 G N 1.858 110.704 108.800 0.077 0.000 2.627 508 G HA2 -0.204 3.748 3.960 -0.013 0.000 0.214 508 G HA3 -0.204 3.748 3.960 -0.013 0.000 0.214 508 G C -0.035 175.008 174.900 0.239 0.000 1.331 508 G CA 0.157 45.332 45.100 0.125 0.000 0.891 508 G HN 0.399 nan 8.290 nan 0.000 0.539 509 E N -0.479 119.808 120.200 0.146 0.000 2.473 509 E HA 0.096 4.438 4.350 -0.013 0.000 0.204 509 E C 1.774 178.337 176.600 -0.061 0.000 0.994 509 E CA -0.068 56.356 56.400 0.040 0.000 0.945 509 E CB 0.314 30.025 29.700 0.017 0.000 0.990 509 E HN 0.455 nan 8.360 nan 0.000 0.493 510 E N 0.548 120.780 120.200 0.053 0.000 2.401 510 E HA -0.170 4.173 4.350 -0.013 0.000 0.199 510 E C 1.474 178.087 176.600 0.021 0.000 1.023 510 E CA 0.732 57.153 56.400 0.035 0.000 0.859 510 E CB 0.054 29.792 29.700 0.064 0.000 0.780 510 E HN 0.511 nan 8.360 nan 0.000 0.523 511 Y N -1.283 119.023 120.300 0.010 0.000 2.509 511 Y HA -0.026 4.517 4.550 -0.011 0.000 0.293 511 Y C 1.828 177.707 175.900 -0.035 0.000 1.133 511 Y CA 0.278 58.375 58.100 -0.004 0.000 1.283 511 Y CB -0.338 38.122 38.460 0.000 0.000 1.001 511 Y HN -0.097 nan 8.280 nan 0.000 0.555 512 I N 1.221 121.333 120.570 -0.764 0.000 2.454 512 I HA -0.203 3.959 4.170 -0.013 0.000 0.254 512 I C 1.499 177.380 176.117 -0.393 0.000 1.156 512 I CA 1.715 62.616 61.300 -0.665 0.000 1.433 512 I CB -1.308 36.201 38.000 -0.818 0.000 1.082 512 I HN 0.520 nan 8.210 nan 0.000 0.432 513 S N -1.568 114.008 115.700 -0.208 0.000 2.730 513 S HA 0.207 4.670 4.470 -0.013 0.000 0.244 513 S C 0.239 174.831 174.600 -0.013 0.000 1.022 513 S CA -0.429 57.724 58.200 -0.078 0.000 1.014 513 S CB 0.445 63.670 63.200 0.042 0.000 0.963 513 S HN 0.292 nan 8.310 nan 0.000 0.540 514 D N 0.921 121.320 120.400 -0.001 0.000 2.978 514 D HA 0.230 4.863 4.640 -0.013 0.000 0.268 514 D C 0.660 177.010 176.300 0.084 0.000 1.252 514 D CA -0.339 53.684 54.000 0.039 0.000 0.771 514 D CB -0.083 40.745 40.800 0.046 0.000 1.361 514 D HN 0.104 nan 8.370 nan 0.000 0.558 515 L N 0.447 121.719 121.223 0.082 0.000 2.261 515 L HA -0.134 4.198 4.340 -0.013 0.000 0.216 515 L C 1.119 178.042 176.870 0.089 0.000 1.114 515 L CA 1.209 56.124 54.840 0.126 0.000 0.777 515 L CB 0.058 42.179 42.059 0.104 0.000 0.910 515 L HN 0.314 nan 8.230 nan 0.000 0.440 516 D N -0.298 120.132 120.400 0.049 0.000 2.182 516 D HA -0.216 4.416 4.640 -0.013 0.000 0.201 516 D C 2.020 178.339 176.300 0.033 0.000 0.986 516 D CA 0.928 54.941 54.000 0.021 0.000 0.847 516 D CB -0.008 40.794 40.800 0.003 0.000 0.942 516 D HN 0.491 nan 8.370 nan 0.000 0.467 517 Q N -0.174 119.663 119.800 0.061 0.000 2.443 517 Q HA -0.125 4.207 4.340 -0.013 0.000 0.213 517 Q C 1.793 177.806 176.000 0.022 0.000 0.982 517 Q CA 0.163 56.001 55.803 0.059 0.000 0.894 517 Q CB 0.047 28.851 28.738 0.109 0.000 0.947 517 Q HN 0.195 nan 8.270 nan 0.000 0.480 518 L N 0.644 121.874 121.223 0.011 0.000 2.265 518 L HA -0.157 4.176 4.340 -0.013 0.000 0.215 518 L C 2.084 178.943 176.870 -0.018 0.000 1.117 518 L CA 1.479 56.290 54.840 -0.048 0.000 0.782 518 L CB -0.463 41.584 42.059 -0.020 0.000 0.914 518 L HN 0.133 nan 8.230 nan 0.000 0.441 519 R N -0.376 120.126 120.500 0.003 0.000 2.139 519 R HA -0.197 4.135 4.340 -0.013 0.000 0.243 519 R C 1.954 178.259 176.300 0.008 0.000 1.145 519 R CA 1.179 57.283 56.100 0.007 0.000 0.976 519 R CB -0.256 30.045 30.300 0.002 0.000 0.866 519 R HN 0.420 nan 8.270 nan 0.000 0.449 520 K N 0.566 120.971 120.400 0.008 0.000 2.360 520 K HA -0.097 4.215 4.320 -0.013 0.000 0.201 520 K C 1.842 178.486 176.600 0.074 0.000 1.046 520 K CA 0.704 57.007 56.287 0.027 0.000 0.940 520 K CB -0.056 32.465 32.500 0.036 0.000 0.748 520 K HN 0.250 nan 8.250 nan 0.000 0.465 521 L N 0.577 121.823 121.223 0.038 0.000 2.465 521 L HA -0.114 4.219 4.340 -0.013 0.000 0.224 521 L C 1.851 178.779 176.870 0.097 0.000 1.145 521 L CA 0.033 54.904 54.840 0.052 0.000 0.834 521 L CB -0.152 41.903 42.059 -0.006 0.000 0.944 521 L HN 0.145 nan 8.230 nan 0.000 0.451 522 L N 0.090 121.342 121.223 0.049 0.000 2.083 522 L HA -0.194 4.138 4.340 -0.013 0.000 0.209 522 L C 2.734 179.591 176.870 -0.021 0.000 1.083 522 L CA 2.045 56.899 54.840 0.024 0.000 0.752 522 L CB -0.904 41.156 42.059 0.002 0.000 0.899 522 L HN 0.341 nan 8.230 nan 0.000 0.433 523 S N -2.534 113.107 115.700 -0.098 0.000 2.603 523 S HA -0.105 4.357 4.470 -0.013 0.000 0.229 523 S C 1.202 175.529 174.600 -0.456 0.000 0.972 523 S CA 0.369 58.406 58.200 -0.271 0.000 0.935 523 S CB -0.573 62.408 63.200 -0.364 0.000 0.769 523 S HN 0.488 nan 8.310 nan 0.000 0.536 524 Y N -0.555 119.663 120.300 -0.137 0.000 2.557 524 Y HA 0.436 4.983 4.550 -0.004 0.000 0.247 524 Y C 1.852 177.759 175.900 0.012 0.000 1.164 524 Y CA -0.553 57.453 58.100 -0.157 0.000 1.218 524 Y CB 0.248 38.393 38.460 -0.525 0.000 1.210 524 Y HN 0.254 nan 8.280 nan 0.000 0.529 525 V N 0.418 120.406 119.914 0.123 0.000 2.867 525 V HA -0.205 3.907 4.120 -0.013 0.000 0.260 525 V C 0.836 176.993 176.094 0.105 0.000 1.099 525 V CA 2.189 64.570 62.300 0.134 0.000 1.122 525 V CB -0.030 31.836 31.823 0.072 0.000 0.708 525 V HN 0.372 nan 8.190 nan 0.000 0.490 526 D N -1.056 119.387 120.400 0.072 0.000 2.469 526 D HA 0.122 4.754 4.640 -0.013 0.000 0.213 526 D C 0.324 176.668 176.300 0.073 0.000 1.135 526 D CA -0.097 53.935 54.000 0.054 0.000 0.834 526 D CB 0.191 41.000 40.800 0.015 0.000 1.009 526 D HN 0.421 nan 8.370 nan 0.000 0.507 527 D N 1.616 122.089 120.400 0.122 0.000 2.371 527 D HA -0.045 4.587 4.640 -0.013 0.000 0.256 527 D C 1.227 177.629 176.300 0.169 0.000 1.193 527 D CA 0.116 54.210 54.000 0.158 0.000 0.881 527 D CB 1.598 42.562 40.800 0.272 0.000 1.143 527 D HN -0.232 nan 8.370 nan 0.000 0.473 528 E N 3.362 123.630 120.200 0.115 0.000 2.077 528 E HA -0.116 4.227 4.350 -0.013 0.000 0.193 528 E C 1.696 178.355 176.600 0.099 0.000 0.989 528 E CA 1.340 57.794 56.400 0.090 0.000 0.800 528 E CB -0.255 29.480 29.700 0.059 0.000 0.746 528 E HN 0.605 nan 8.360 nan 0.000 0.452 529 A N -0.284 122.609 122.820 0.121 0.000 1.873 529 A HA -0.136 4.177 4.320 -0.013 0.000 0.215 529 A C 2.299 179.971 177.584 0.146 0.000 1.186 529 A CA 1.256 53.361 52.037 0.113 0.000 0.616 529 A CB -0.986 18.083 19.000 0.116 0.000 0.823 529 A HN 0.374 nan 8.150 nan 0.000 0.442 530 F N 0.375 120.346 119.950 0.034 0.000 2.069 530 F HA -0.193 4.328 4.527 -0.011 0.000 0.298 530 F C 2.105 177.916 175.800 0.018 0.000 1.113 530 F CA 1.791 59.800 58.000 0.014 0.000 1.214 530 F CB -0.147 38.878 39.000 0.040 0.000 0.978 530 F HN 0.164 nan 8.300 nan 0.000 0.474 531 I N 0.107 120.733 120.570 0.094 0.000 2.194 531 I HA -0.376 3.787 4.170 -0.013 0.000 0.246 531 I C 2.556 178.635 176.117 -0.064 0.000 1.093 531 I CA 1.729 63.027 61.300 -0.004 0.000 1.355 531 I CB -0.483 37.553 38.000 0.060 0.000 1.046 531 I HN 0.110 nan 8.210 nan 0.000 0.413 532 R N 0.758 121.240 120.500 -0.031 0.000 2.081 532 R HA -0.186 4.146 4.340 -0.013 0.000 0.235 532 R C 1.871 178.123 176.300 -0.079 0.000 1.131 532 R CA 1.838 57.915 56.100 -0.039 0.000 0.960 532 R CB -0.105 30.189 30.300 -0.008 0.000 0.856 532 R HN 0.287 nan 8.270 nan 0.000 0.436 533 D N -0.355 119.973 120.400 -0.120 0.000 2.091 533 D HA -0.116 4.516 4.640 -0.013 0.000 0.199 533 D C 1.960 178.124 176.300 -0.226 0.000 0.980 533 D CA 1.283 55.189 54.000 -0.156 0.000 0.831 533 D CB -0.324 40.380 40.800 -0.161 0.000 0.987 533 D HN 0.045 nan 8.370 nan 0.000 0.460 534 V N 1.545 121.225 119.914 -0.391 0.000 2.282 534 V HA -0.297 3.815 4.120 -0.013 0.000 0.249 534 V C 2.482 178.481 176.094 -0.159 0.000 1.057 534 V CA 2.080 64.171 62.300 -0.349 0.000 1.032 534 V CB -0.812 30.756 31.823 -0.426 0.000 0.645 534 V HN 0.213 nan 8.190 nan 0.000 0.447 535 A N -0.925 121.824 122.820 -0.119 0.000 1.969 535 A HA -0.231 4.082 4.320 -0.013 0.000 0.218 535 A C 2.348 179.897 177.584 -0.058 0.000 1.169 535 A CA 1.987 53.989 52.037 -0.058 0.000 0.635 535 A CB -0.417 18.555 19.000 -0.046 0.000 0.810 535 A HN 0.546 nan 8.150 nan 0.000 0.445 536 K N 0.182 120.540 120.400 -0.070 0.000 2.031 536 K HA -0.095 4.218 4.320 -0.013 0.000 0.205 536 K C 2.005 178.578 176.600 -0.045 0.000 1.049 536 K CA 1.629 57.885 56.287 -0.053 0.000 0.939 536 K CB -0.343 32.127 32.500 -0.049 0.000 0.717 536 K HN 0.407 nan 8.250 nan 0.000 0.438 537 V N 0.036 119.917 119.914 -0.055 0.000 2.343 537 V HA -0.203 3.910 4.120 -0.013 0.000 0.247 537 V C 2.236 178.317 176.094 -0.023 0.000 1.051 537 V CA 2.095 64.373 62.300 -0.036 0.000 1.036 537 V CB -0.753 31.044 31.823 -0.044 0.000 0.654 537 V HN 0.208 nan 8.190 nan 0.000 0.451 538 K N 0.721 121.105 120.400 -0.026 0.000 2.103 538 K HA -0.224 4.089 4.320 -0.013 0.000 0.207 538 K C 2.257 178.838 176.600 -0.031 0.000 1.048 538 K CA 2.196 58.477 56.287 -0.010 0.000 0.930 538 K CB -0.647 31.861 32.500 0.014 0.000 0.716 538 K HN 0.594 nan 8.250 nan 0.000 0.444 539 Q N 0.898 120.673 119.800 -0.042 0.000 2.123 539 Q HA -0.053 4.280 4.340 -0.013 0.000 0.199 539 Q C 1.640 177.622 176.000 -0.030 0.000 0.966 539 Q CA 1.801 57.570 55.803 -0.057 0.000 0.845 539 Q CB -0.035 28.672 28.738 -0.052 0.000 0.907 539 Q HN 0.520 nan 8.270 nan 0.000 0.439 540 E N -0.498 119.695 120.200 -0.011 0.000 2.072 540 E HA -0.146 4.196 4.350 -0.013 0.000 0.191 540 E C 1.712 178.333 176.600 0.035 0.000 0.985 540 E CA 0.943 57.349 56.400 0.011 0.000 0.801 540 E CB -0.008 29.697 29.700 0.008 0.000 0.750 540 E HN 0.377 nan 8.360 nan 0.000 0.452 541 N N 0.949 119.668 118.700 0.031 0.000 2.120 541 N HA -0.148 4.585 4.740 -0.013 0.000 0.188 541 N C 1.498 177.078 175.510 0.117 0.000 1.024 541 N CA 1.114 54.202 53.050 0.063 0.000 0.852 541 N CB -0.100 38.410 38.487 0.039 0.000 1.003 541 N HN 0.111 nan 8.380 nan 0.000 0.424 542 K N 0.454 120.889 120.400 0.058 0.000 2.097 542 K HA -0.003 4.309 4.320 -0.013 0.000 0.206 542 K C 2.070 178.771 176.600 0.168 0.000 1.049 542 K CA 0.645 56.972 56.287 0.067 0.000 0.933 542 K CB -0.145 32.163 32.500 -0.321 0.000 0.717 542 K HN 0.122 nan 8.250 nan 0.000 0.442 543 L N 1.013 122.290 121.223 0.090 0.000 2.093 543 L HA -0.158 4.175 4.340 -0.013 0.000 0.208 543 L C 2.568 179.523 176.870 0.141 0.000 1.085 543 L CA 1.109 56.010 54.840 0.100 0.000 0.755 543 L CB -0.228 41.866 42.059 0.058 0.000 0.904 543 L HN 0.092 nan 8.230 nan 0.000 0.435 544 K N -0.468 120.025 120.400 0.155 0.000 2.097 544 K HA -0.180 4.133 4.320 -0.013 0.000 0.205 544 K C 2.153 178.900 176.600 0.245 0.000 1.050 544 K CA 1.429 57.819 56.287 0.170 0.000 0.938 544 K CB -0.139 32.450 32.500 0.148 0.000 0.718 544 K HN 0.128 nan 8.250 nan 0.000 0.442 545 F N 1.331 121.370 119.950 0.147 0.000 2.163 545 F HA -0.036 4.483 4.527 -0.013 0.000 0.297 545 F C 2.070 178.002 175.800 0.219 0.000 1.094 545 F CA 1.088 59.190 58.000 0.169 0.000 1.290 545 F CB -0.437 38.659 39.000 0.161 0.000 1.017 545 F HN -0.011 nan 8.300 nan 0.000 0.483 546 A N 0.146 123.092 122.820 0.211 0.000 2.024 546 A HA -0.056 4.257 4.320 -0.013 0.000 0.220 546 A C 2.355 179.941 177.584 0.003 0.000 1.164 546 A CA 1.760 53.844 52.037 0.078 0.000 0.643 546 A CB -1.386 17.718 19.000 0.173 0.000 0.806 546 A HN 0.464 nan 8.150 nan 0.000 0.451 547 A N -1.288 121.568 122.820 0.061 0.000 1.855 547 A HA 0.015 4.328 4.320 -0.013 0.000 0.213 547 A C 2.094 179.700 177.584 0.036 0.000 1.195 547 A CA 1.410 53.481 52.037 0.058 0.000 0.610 547 A CB -0.955 18.096 19.000 0.085 0.000 0.837 547 A HN 0.748 nan 8.150 nan 0.000 0.444 548 Y N 0.352 120.604 120.300 -0.081 0.000 2.139 548 Y HA -0.268 4.274 4.550 -0.012 0.000 0.282 548 Y C 1.902 177.724 175.900 -0.131 0.000 1.179 548 Y CA 1.904 59.950 58.100 -0.090 0.000 1.161 548 Y CB -0.475 37.943 38.460 -0.071 0.000 0.970 548 Y HN 0.193 nan 8.280 nan 0.000 0.511 549 L N 0.974 122.160 121.223 -0.061 0.000 1.990 549 L HA -0.261 4.071 4.340 -0.013 0.000 0.213 549 L C 2.427 179.256 176.870 -0.068 0.000 1.072 549 L CA 2.287 57.069 54.840 -0.096 0.000 0.755 549 L CB -1.177 40.743 42.059 -0.232 0.000 0.889 549 L HN 0.378 nan 8.230 nan 0.000 0.432 550 E N -1.615 118.550 120.200 -0.058 0.000 2.152 550 E HA -0.173 4.169 4.350 -0.013 0.000 0.192 550 E C 2.286 178.842 176.600 -0.074 0.000 0.983 550 E CA 0.508 56.895 56.400 -0.022 0.000 0.818 550 E CB 0.053 29.774 29.700 0.036 0.000 0.758 550 E HN 0.363 nan 8.360 nan 0.000 0.467 551 R N 0.700 121.121 120.500 -0.133 0.000 2.109 551 R HA -0.168 4.165 4.340 -0.013 0.000 0.227 551 R C 2.073 178.210 176.300 -0.271 0.000 1.132 551 R CA 1.720 57.714 56.100 -0.177 0.000 0.907 551 R CB -0.079 30.102 30.300 -0.198 0.000 0.825 551 R HN -0.005 nan 8.270 nan 0.000 0.432 552 E N -1.623 118.280 120.200 -0.495 0.000 2.299 552 E HA -0.073 4.269 4.350 -0.013 0.000 0.193 552 E C 0.819 176.992 176.600 -0.711 0.000 0.998 552 E CA 0.870 56.863 56.400 -0.678 0.000 0.851 552 E CB 0.373 29.442 29.700 -1.052 0.000 0.795 552 E HN 0.387 nan 8.360 nan 0.000 0.492 553 Y N -0.231 119.946 120.300 -0.206 0.000 2.423 553 Y HA 0.282 4.824 4.550 -0.013 0.000 0.257 553 Y C -0.363 175.506 175.900 -0.052 0.000 1.087 553 Y CA -0.465 57.580 58.100 -0.092 0.000 1.258 553 Y CB 0.813 39.240 38.460 -0.055 0.000 1.237 553 Y HN -0.342 nan 8.280 nan 0.000 0.517 554 K N 1.079 121.514 120.400 0.058 0.000 6.098 554 K HA -0.081 4.232 4.320 -0.013 0.000 0.538 554 K C -0.622 176.017 176.600 0.065 0.000 1.338 554 K CA 0.958 57.271 56.287 0.044 0.000 1.473 554 K CB -1.570 30.944 32.500 0.024 0.000 1.815 554 K HN 0.455 nan 8.250 nan 0.000 0.359 555 V N -2.581 117.377 119.914 0.073 0.000 5.829 555 V HA 0.015 4.127 4.120 -0.013 0.000 0.697 555 V C -0.149 176.023 176.094 0.129 0.000 1.997 555 V CA -0.066 62.290 62.300 0.093 0.000 3.668 555 V CB -1.068 30.806 31.823 0.085 0.000 0.116 555 V HN 0.975 nan 8.190 nan 0.000 0.567 556 H N 0.875 119.951 119.070 0.010 0.000 2.991 556 H HA -0.091 4.457 4.556 -0.013 0.000 0.255 556 H C -0.272 175.061 175.328 0.008 0.000 0.700 556 H CA 1.885 57.941 56.048 0.013 0.000 0.964 556 H CB 0.086 29.860 29.762 0.021 0.000 1.230 556 H HN 1.322 nan 8.280 nan 0.000 0.450 557 I N 0.097 120.313 120.570 -0.590 0.000 3.195 557 I HA 0.441 4.603 4.170 -0.013 0.000 0.313 557 I C -0.633 175.235 176.117 -0.415 0.000 1.237 557 I CA -1.300 59.805 61.300 -0.325 0.000 0.963 557 I CB 2.207 40.100 38.000 -0.179 0.000 1.278 557 I HN 0.615 nan 8.210 nan 0.000 0.460 558 N N 2.841 121.501 118.700 -0.068 0.000 2.444 558 N HA 0.513 5.245 4.740 -0.013 0.000 0.262 558 N C -2.246 173.356 175.510 0.153 0.000 0.974 558 N CA -2.542 50.529 53.050 0.035 0.000 0.933 558 N CB 1.655 40.191 38.487 0.080 0.000 1.137 558 N HN 0.325 nan 8.380 nan 0.000 0.498 559 P HA 0.034 nan 4.420 nan 0.000 0.234 559 P C -0.043 177.187 177.300 -0.116 0.000 1.167 559 P CA 1.009 64.110 63.100 0.002 0.000 0.763 559 P CB 0.193 31.901 31.700 0.014 0.000 0.835 560 N N -1.165 117.525 118.700 -0.017 0.000 2.405 560 N HA -0.007 4.725 4.740 -0.013 0.000 0.175 560 N C 0.648 176.170 175.510 0.020 0.000 1.051 560 N CA -0.046 52.997 53.050 -0.012 0.000 0.899 560 N CB 0.035 38.538 38.487 0.027 0.000 1.000 560 N HN 0.137 nan 8.380 nan 0.000 0.451 561 S N 0.413 116.134 115.700 0.034 0.000 2.617 561 S HA 0.129 4.591 4.470 -0.013 0.000 0.259 561 S C 0.098 174.647 174.600 -0.084 0.000 1.301 561 S CA -0.753 57.461 58.200 0.022 0.000 0.984 561 S CB 0.794 64.036 63.200 0.069 0.000 0.954 561 S HN 0.167 nan 8.310 nan 0.000 0.572 562 L N 1.266 122.310 121.223 -0.299 0.000 2.319 562 L HA 0.396 4.728 4.340 -0.013 0.000 0.280 562 L C -0.914 175.928 176.870 -0.047 0.000 1.099 562 L CA -0.595 53.878 54.840 -0.612 0.000 0.828 562 L CB -0.029 41.407 42.059 -1.037 0.000 1.150 562 L HN 0.699 nan 8.230 nan 0.000 0.442 563 F N 4.134 123.944 119.950 -0.232 0.000 2.423 563 F HA 0.099 4.619 4.527 -0.012 0.000 0.356 563 F C 0.435 176.160 175.800 -0.124 0.000 1.170 563 F CA -0.801 57.130 58.000 -0.117 0.000 1.163 563 F CB 0.558 39.537 39.000 -0.036 0.000 1.318 563 F HN 0.509 nan 8.300 nan 0.000 0.569 564 D N 4.860 125.254 120.400 -0.010 0.000 2.428 564 D HA 0.215 4.847 4.640 -0.013 0.000 0.221 564 D C -1.008 175.226 176.300 -0.110 0.000 1.123 564 D CA 0.062 54.012 54.000 -0.084 0.000 0.869 564 D CB 1.319 42.057 40.800 -0.103 0.000 1.032 564 D HN 0.267 nan 8.370 nan 0.000 0.506 565 V N 3.000 122.837 119.914 -0.128 0.000 2.656 565 V HA 0.545 4.658 4.120 -0.013 0.000 0.307 565 V C -1.402 174.556 176.094 -0.228 0.000 1.051 565 V CA -0.697 61.512 62.300 -0.151 0.000 0.893 565 V CB 1.948 33.727 31.823 -0.074 0.000 0.999 565 V HN 0.504 nan 8.190 nan 0.000 0.426 566 Q N 4.596 124.270 119.800 -0.209 0.000 2.394 566 Q HA 0.664 4.997 4.340 -0.013 0.000 0.261 566 Q C -1.488 174.351 176.000 -0.268 0.000 1.023 566 Q CA -0.649 55.018 55.803 -0.226 0.000 0.720 566 Q CB 1.856 30.486 28.738 -0.180 0.000 1.241 566 Q HN 1.133 nan 8.270 nan 0.000 0.483 567 V N 2.259 122.001 119.914 -0.287 0.000 2.407 567 V HA 0.840 4.953 4.120 -0.013 0.000 0.291 567 V C -0.823 175.001 176.094 -0.451 0.000 1.018 567 V CA -0.584 61.349 62.300 -0.612 0.000 0.842 567 V CB 1.188 32.388 31.823 -1.038 0.000 0.996 567 V HN 0.795 nan 8.190 nan 0.000 0.426 568 K N 2.807 123.011 120.400 -0.328 0.000 2.772 568 K HA 0.439 4.751 4.320 -0.013 0.000 0.292 568 K C -1.243 175.375 176.600 0.031 0.000 1.049 568 K CA -1.036 55.240 56.287 -0.019 0.000 0.846 568 K CB 1.116 33.591 32.500 -0.042 0.000 1.514 568 K HN 0.462 nan 8.250 nan 0.000 0.373 569 R N 0.797 121.369 120.500 0.121 0.000 2.698 569 R HA 0.168 4.500 4.340 -0.013 0.000 0.266 569 R C 0.411 176.745 176.300 0.058 0.000 1.026 569 R CA -0.289 55.890 56.100 0.132 0.000 1.102 569 R CB -0.168 30.259 30.300 0.212 0.000 0.978 569 R HN 0.475 nan 8.270 nan 0.000 0.436 570 I N 4.241 124.818 120.570 0.010 0.000 2.452 570 I HA 0.105 4.267 4.170 -0.013 0.000 0.287 570 I C 0.802 176.810 176.117 -0.181 0.000 1.079 570 I CA 0.607 61.857 61.300 -0.083 0.000 1.387 570 I CB -0.175 37.765 38.000 -0.100 0.000 1.404 570 I HN 0.287 nan 8.210 nan 0.000 0.522 571 H N 4.229 123.201 119.070 -0.163 0.000 3.016 571 H HA 0.254 4.802 4.556 -0.013 0.000 0.362 571 H C 0.302 175.527 175.328 -0.172 0.000 1.233 571 H CA -0.470 55.525 56.048 -0.088 0.000 1.124 571 H CB 2.167 31.802 29.762 -0.212 0.000 1.850 571 H HN 0.514 nan 8.280 nan 0.000 0.549 572 E N 0.904 121.189 120.200 0.142 0.000 2.152 572 E HA -0.150 4.192 4.350 -0.013 0.000 0.192 572 E C 1.309 177.670 176.600 -0.398 0.000 0.983 572 E CA 0.934 57.344 56.400 0.016 0.000 0.818 572 E CB 0.135 30.043 29.700 0.346 0.000 0.758 572 E HN 0.511 nan 8.360 nan 0.000 0.467 573 Y N 0.496 120.281 120.300 -0.857 0.000 2.457 573 Y HA 0.077 4.619 4.550 -0.013 0.000 0.292 573 Y C 1.525 177.165 175.900 -0.432 0.000 1.125 573 Y CA 0.502 57.931 58.100 -1.118 0.000 1.254 573 Y CB 0.121 37.932 38.460 -1.082 0.000 1.012 573 Y HN -0.225 nan 8.280 nan 0.000 0.555 574 K N 1.064 120.997 120.400 -0.777 0.000 2.366 574 K HA 0.018 4.331 4.320 -0.013 0.000 0.198 574 K C 0.236 176.660 176.600 -0.294 0.000 1.044 574 K CA 0.667 56.607 56.287 -0.578 0.000 0.973 574 K CB -0.161 32.026 32.500 -0.523 0.000 0.767 574 K HN 0.394 nan 8.250 nan 0.000 0.475 575 R N 0.797 121.157 120.500 -0.234 0.000 3.336 575 R HA -0.188 4.144 4.340 -0.013 0.000 0.260 575 R C 0.627 176.850 176.300 -0.128 0.000 1.032 575 R CA 0.225 56.241 56.100 -0.140 0.000 0.693 575 R CB -1.905 28.326 30.300 -0.114 0.000 1.134 575 R HN 0.219 nan 8.270 nan 0.000 0.433 576 Q N 0.136 119.861 119.800 -0.126 0.000 2.226 576 Q HA -0.047 4.285 4.340 -0.013 0.000 0.204 576 Q C 1.825 177.777 176.000 -0.079 0.000 0.975 576 Q CA 1.394 57.135 55.803 -0.103 0.000 0.866 576 Q CB 0.053 28.734 28.738 -0.095 0.000 0.915 576 Q HN 0.596 nan 8.270 nan 0.000 0.440 577 L N -0.599 120.580 121.223 -0.073 0.000 2.083 577 L HA -0.184 4.149 4.340 -0.013 0.000 0.209 577 L C 1.985 178.854 176.870 -0.002 0.000 1.083 577 L CA 0.588 55.398 54.840 -0.049 0.000 0.752 577 L CB -0.316 41.724 42.059 -0.031 0.000 0.899 577 L HN 0.317 nan 8.230 nan 0.000 0.433 578 L N -0.094 121.118 121.223 -0.018 0.000 2.093 578 L HA -0.224 4.108 4.340 -0.013 0.000 0.208 578 L C 1.985 178.883 176.870 0.046 0.000 1.085 578 L CA 1.853 56.689 54.840 -0.006 0.000 0.755 578 L CB -0.821 41.134 42.059 -0.173 0.000 0.904 578 L HN 0.284 nan 8.230 nan 0.000 0.435 579 N N -1.844 116.858 118.700 0.004 0.000 2.188 579 N HA -0.216 4.516 4.740 -0.013 0.000 0.184 579 N C 1.936 177.528 175.510 0.138 0.000 1.018 579 N CA 1.387 54.514 53.050 0.129 0.000 0.858 579 N CB -0.108 38.395 38.487 0.027 0.000 0.989 579 N HN 0.477 nan 8.380 nan 0.000 0.426 580 C N 0.581 119.901 119.300 0.034 0.000 2.432 580 C HA -0.052 4.400 4.460 -0.013 0.000 0.277 580 C C 2.583 177.582 174.990 0.016 0.000 1.249 580 C CA 0.345 59.341 59.018 -0.036 0.000 1.725 580 C CB -1.209 26.457 27.740 -0.124 0.000 2.028 580 C HN 0.518 nan 8.230 nan 0.000 0.477 581 L N -0.196 121.093 121.223 0.110 0.000 2.079 581 L HA -0.223 4.110 4.340 -0.013 0.000 0.210 581 L C 2.731 179.768 176.870 0.279 0.000 1.081 581 L CA 1.912 56.871 54.840 0.198 0.000 0.752 581 L CB -1.118 41.132 42.059 0.318 0.000 0.896 581 L HN 0.615 nan 8.230 nan 0.000 0.433 582 H N -0.104 119.089 119.070 0.204 0.000 2.326 582 H HA -0.131 4.417 4.556 -0.013 0.000 0.301 582 H C 2.269 177.604 175.328 0.011 0.000 1.081 582 H CA 1.896 57.987 56.048 0.072 0.000 1.334 582 H CB 0.281 30.035 29.762 -0.014 0.000 1.385 582 H HN 0.079 nan 8.280 nan 0.000 0.504 583 V N 1.557 121.417 119.914 -0.090 0.000 2.287 583 V HA -0.284 3.828 4.120 -0.013 0.000 0.248 583 V C 2.862 178.903 176.094 -0.088 0.000 1.053 583 V CA 1.989 64.196 62.300 -0.156 0.000 1.027 583 V CB -0.545 31.229 31.823 -0.081 0.000 0.646 583 V HN 0.383 nan 8.190 nan 0.000 0.447 584 I N -0.380 120.176 120.570 -0.024 0.000 2.286 584 I HA -0.231 3.932 4.170 -0.013 0.000 0.248 584 I C 2.500 178.693 176.117 0.125 0.000 1.115 584 I CA 1.749 63.110 61.300 0.101 0.000 1.392 584 I CB -0.580 37.468 38.000 0.080 0.000 1.065 584 I HN 0.326 nan 8.210 nan 0.000 0.418 585 T N 1.064 115.639 114.554 0.036 0.000 2.708 585 T HA -0.160 4.183 4.350 -0.013 0.000 0.266 585 T C 1.859 176.516 174.700 -0.072 0.000 1.037 585 T CA 1.205 63.311 62.100 0.011 0.000 1.146 585 T CB -0.238 68.648 68.868 0.030 0.000 0.865 585 T HN 0.074 nan 8.240 nan 0.000 0.435 586 L N 0.150 121.259 121.223 -0.191 0.000 2.012 586 L HA -0.039 4.293 4.340 -0.013 0.000 0.210 586 L C 2.069 178.904 176.870 -0.058 0.000 1.073 586 L CA 1.598 56.323 54.840 -0.192 0.000 0.748 586 L CB -1.121 40.761 42.059 -0.295 0.000 0.891 586 L HN 0.370 nan 8.230 nan 0.000 0.431 587 Y N 0.349 120.591 120.300 -0.096 0.000 2.097 587 Y HA -0.319 4.223 4.550 -0.013 0.000 0.282 587 Y C 2.457 178.339 175.900 -0.030 0.000 1.152 587 Y CA 1.955 60.037 58.100 -0.029 0.000 1.136 587 Y CB -0.110 38.385 38.460 0.059 0.000 0.975 587 Y HN 0.287 nan 8.280 nan 0.000 0.498 588 N N 0.394 119.064 118.700 -0.049 0.000 2.223 588 N HA -0.142 4.590 4.740 -0.013 0.000 0.185 588 N C 1.784 177.186 175.510 -0.179 0.000 1.016 588 N CA 1.472 54.425 53.050 -0.162 0.000 0.863 588 N CB -0.327 38.130 38.487 -0.051 0.000 0.983 588 N HN 0.468 nan 8.380 nan 0.000 0.429 589 R N 0.297 120.715 120.500 -0.136 0.000 2.090 589 R HA 0.110 4.443 4.340 -0.013 0.000 0.228 589 R C 2.208 178.420 176.300 -0.147 0.000 1.110 589 R CA 0.660 56.686 56.100 -0.123 0.000 0.973 589 R CB -0.217 30.021 30.300 -0.104 0.000 0.869 589 R HN 0.221 nan 8.270 nan 0.000 0.440 590 I N 1.070 121.533 120.570 -0.179 0.000 2.226 590 I HA -0.262 3.900 4.170 -0.013 0.000 0.245 590 I C 1.981 177.975 176.117 -0.205 0.000 1.100 590 I CA 1.215 62.408 61.300 -0.178 0.000 1.374 590 I CB -0.123 37.771 38.000 -0.175 0.000 1.057 590 I HN 0.020 nan 8.210 nan 0.000 0.413 591 K N 0.700 120.912 120.400 -0.312 0.000 2.283 591 K HA -0.173 4.139 4.320 -0.013 0.000 0.202 591 K C 1.951 178.444 176.600 -0.178 0.000 1.048 591 K CA 0.896 57.011 56.287 -0.285 0.000 0.948 591 K CB -0.184 32.061 32.500 -0.425 0.000 0.742 591 K HN 0.163 nan 8.250 nan 0.000 0.458 592 K N 1.888 122.193 120.400 -0.158 0.000 2.067 592 K HA -0.049 4.264 4.320 -0.013 0.000 0.203 592 K C 0.116 176.666 176.600 -0.084 0.000 1.048 592 K CA 1.155 57.376 56.287 -0.111 0.000 0.954 592 K CB 0.385 32.823 32.500 -0.102 0.000 0.737 592 K HN 0.060 nan 8.250 nan 0.000 0.444 593 E N 0.830 120.980 120.200 -0.084 0.000 3.037 593 E HA 0.185 4.527 4.350 -0.013 0.000 0.220 593 E C -2.346 174.217 176.600 -0.061 0.000 1.142 593 E CA -1.794 54.571 56.400 -0.060 0.000 0.888 593 E CB 1.556 31.228 29.700 -0.047 0.000 1.329 593 E HN 0.080 nan 8.360 nan 0.000 0.409 594 P HA -0.178 nan 4.420 nan 0.000 0.216 594 P C 0.292 177.574 177.300 -0.029 0.000 1.153 594 P CA 1.304 64.372 63.100 -0.054 0.000 0.858 594 P CB 0.127 31.800 31.700 -0.046 0.000 0.789 595 N N -0.888 117.803 118.700 -0.014 0.000 2.346 595 N HA 0.024 4.756 4.740 -0.013 0.000 0.225 595 N C 0.389 175.914 175.510 0.026 0.000 1.144 595 N CA -0.000 53.055 53.050 0.009 0.000 0.837 595 N CB -0.075 38.417 38.487 0.008 0.000 1.069 595 N HN 0.082 nan 8.380 nan 0.000 0.487 596 K N 1.019 121.428 120.400 0.016 0.000 2.164 596 K HA 0.197 4.509 4.320 -0.013 0.000 0.258 596 K C -1.087 175.552 176.600 0.065 0.000 0.951 596 K CA -0.654 55.657 56.287 0.040 0.000 0.844 596 K CB 0.872 33.375 32.500 0.005 0.000 1.099 596 K HN -0.053 nan 8.250 nan 0.000 0.435 597 F N 4.457 124.394 119.950 -0.021 0.000 2.443 597 F HA 0.271 4.791 4.527 -0.013 0.000 0.353 597 F C -0.505 175.281 175.800 -0.023 0.000 1.101 597 F CA -0.079 57.909 58.000 -0.019 0.000 1.226 597 F CB 0.736 39.727 39.000 -0.014 0.000 1.140 597 F HN 0.196 nan 8.300 nan 0.000 0.557 598 V N 3.916 123.187 119.914 -1.073 0.000 2.888 598 V HA 0.511 4.623 4.120 -0.013 0.000 0.309 598 V C -0.786 174.670 176.094 -1.062 0.000 1.114 598 V CA -1.255 60.578 62.300 -0.778 0.000 0.940 598 V CB 0.889 32.479 31.823 -0.388 0.000 1.021 598 V HN 0.585 nan 8.190 nan 0.000 0.426 599 V N 4.751 124.331 119.914 -0.557 0.000 2.493 599 V HA 0.182 4.294 4.120 -0.013 0.000 0.292 599 V C -1.758 174.176 176.094 -0.267 0.000 1.016 599 V CA -0.321 61.802 62.300 -0.295 0.000 1.097 599 V CB 0.397 32.168 31.823 -0.087 0.000 0.947 599 V HN 0.910 nan 8.190 nan 0.000 0.479 600 P HA 0.396 nan 4.420 nan 0.000 0.269 600 P C -0.491 176.725 177.300 -0.139 0.000 1.209 600 P CA -0.203 62.816 63.100 -0.134 0.000 0.776 600 P CB 0.587 32.258 31.700 -0.048 0.000 0.876 601 R N 0.377 120.810 120.500 -0.111 0.000 2.668 601 R HA 0.588 4.920 4.340 -0.013 0.000 0.272 601 R C -1.015 175.251 176.300 -0.056 0.000 1.019 601 R CA -0.586 55.450 56.100 -0.107 0.000 0.894 601 R CB 2.004 32.222 30.300 -0.136 0.000 1.228 601 R HN 0.285 nan 8.270 nan 0.000 0.460 602 T N 1.955 116.490 114.554 -0.031 0.000 2.833 602 T HA 0.242 4.584 4.350 -0.013 0.000 0.297 602 T C -0.864 173.755 174.700 -0.136 0.000 1.015 602 T CA -0.583 61.462 62.100 -0.092 0.000 0.963 602 T CB 1.188 69.955 68.868 -0.169 0.000 0.955 602 T HN 0.350 nan 8.240 nan 0.000 0.449 603 V N 4.677 124.517 119.914 -0.124 0.000 2.370 603 V HA 0.699 4.812 4.120 -0.013 0.000 0.279 603 V C -0.544 175.466 176.094 -0.140 0.000 1.029 603 V CA -0.688 61.541 62.300 -0.118 0.000 0.870 603 V CB 0.801 32.578 31.823 -0.077 0.000 0.984 603 V HN 0.874 nan 8.190 nan 0.000 0.451 604 M N 7.442 126.943 119.600 -0.165 0.000 2.167 604 M HA 0.591 5.064 4.480 -0.013 0.000 0.333 604 M C -0.923 175.258 176.300 -0.199 0.000 1.030 604 M CA -0.205 54.986 55.300 -0.182 0.000 0.963 604 M CB 1.860 34.341 32.600 -0.198 0.000 1.589 604 M HN 0.541 nan 8.290 nan 0.000 0.431 605 I N 2.328 122.771 120.570 -0.211 0.000 2.389 605 I HA 0.756 4.919 4.170 -0.013 0.000 0.288 605 I C 0.173 175.973 176.117 -0.528 0.000 0.999 605 I CA -0.595 60.558 61.300 -0.245 0.000 1.129 605 I CB 2.008 39.958 38.000 -0.083 0.000 1.288 605 I HN 0.785 nan 8.210 nan 0.000 0.444 606 G N 3.271 111.718 108.800 -0.588 0.000 2.659 606 G HA2 0.828 4.781 3.960 -0.013 0.000 0.296 606 G HA3 0.828 4.781 3.960 -0.013 0.000 0.296 606 G C -0.986 173.604 174.900 -0.517 0.000 1.369 606 G CA -0.834 43.765 45.100 -0.836 0.000 0.937 606 G HN 0.938 nan 8.290 nan 0.000 0.485 607 G N -0.230 108.409 108.800 -0.268 0.000 2.358 607 G HA2 0.451 4.403 3.960 -0.013 0.000 0.301 607 G HA3 0.451 4.403 3.960 -0.013 0.000 0.301 607 G C -1.519 173.500 174.900 0.198 0.000 1.539 607 G CA -0.989 44.129 45.100 0.030 0.000 0.893 607 G HN 0.600 nan 8.290 nan 0.000 0.636 608 K N -0.270 120.245 120.400 0.192 0.000 2.123 608 K HA 0.769 5.081 4.320 -0.013 0.000 0.259 608 K C 0.080 176.799 176.600 0.198 0.000 0.960 608 K CA -0.286 56.132 56.287 0.218 0.000 0.872 608 K CB 1.990 34.534 32.500 0.072 0.000 1.079 608 K HN 0.857 nan 8.250 nan 0.000 0.440 609 A N 1.666 124.638 122.820 0.253 0.000 2.318 609 A HA 0.661 4.973 4.320 -0.013 0.000 0.324 609 A C -0.533 177.202 177.584 0.251 0.000 1.170 609 A CA -0.737 51.379 52.037 0.132 0.000 0.810 609 A CB 1.096 20.101 19.000 0.009 0.000 1.198 609 A HN 0.786 nan 8.150 nan 0.000 0.484 610 A N 3.904 126.849 122.820 0.209 0.000 2.540 610 A HA 0.449 4.761 4.320 -0.013 0.000 0.239 610 A C -1.323 176.329 177.584 0.113 0.000 1.061 610 A CA -0.653 51.519 52.037 0.225 0.000 0.758 610 A CB -0.360 18.737 19.000 0.162 0.000 0.991 610 A HN 0.609 nan 8.150 nan 0.000 0.502 611 P HA -0.155 nan 4.420 nan 0.000 0.217 611 P C 1.336 178.619 177.300 -0.029 0.000 1.151 611 P CA 2.061 65.096 63.100 -0.108 0.000 0.849 611 P CB 0.180 31.766 31.700 -0.191 0.000 0.787 612 G N -3.153 105.652 108.800 0.008 0.000 3.088 612 G HA2 -0.090 3.862 3.960 -0.013 0.000 0.217 612 G HA3 -0.090 3.862 3.960 -0.013 0.000 0.217 612 G C -0.089 174.843 174.900 0.053 0.000 1.159 612 G CA -0.150 44.958 45.100 0.013 0.000 0.760 612 G HN 0.303 nan 8.290 nan 0.000 0.550 613 Y N 1.958 122.192 120.300 -0.109 0.000 2.627 613 Y HA 0.139 4.682 4.550 -0.013 0.000 0.347 613 Y C 1.731 177.613 175.900 -0.030 0.000 1.099 613 Y CA -0.964 57.058 58.100 -0.129 0.000 1.408 613 Y CB 0.072 38.416 38.460 -0.194 0.000 1.247 613 Y HN 0.306 nan 8.280 nan 0.000 0.506 614 H N 4.007 123.193 119.070 0.194 0.000 2.319 614 H HA -0.226 4.323 4.556 -0.012 0.000 0.299 614 H C 1.825 177.184 175.328 0.051 0.000 1.092 614 H CA 2.266 58.371 56.048 0.095 0.000 1.302 614 H CB 0.373 30.186 29.762 0.084 0.000 1.373 614 H HN 0.700 nan 8.280 nan 0.000 0.497 615 M N 1.160 120.731 119.600 -0.047 0.000 2.080 615 M HA -0.103 4.370 4.480 -0.013 0.000 0.260 615 M C 2.660 178.723 176.300 -0.395 0.000 1.068 615 M CA 1.949 57.140 55.300 -0.181 0.000 1.109 615 M CB -1.048 31.596 32.600 0.074 0.000 1.342 615 M HN 0.354 nan 8.290 nan 0.000 0.405 616 A N -0.307 122.026 122.820 -0.811 0.000 1.917 616 A HA -0.247 4.065 4.320 -0.013 0.000 0.219 616 A C 2.206 179.572 177.584 -0.362 0.000 1.182 616 A CA 2.195 53.767 52.037 -0.774 0.000 0.633 616 A CB -0.772 17.514 19.000 -1.190 0.000 0.819 616 A HN 0.624 nan 8.150 nan 0.000 0.448 617 K N -1.407 118.841 120.400 -0.254 0.000 2.288 617 K HA 0.008 4.320 4.320 -0.013 0.000 0.201 617 K C 1.840 178.404 176.600 -0.060 0.000 1.048 617 K CA 0.972 57.205 56.287 -0.090 0.000 0.956 617 K CB -0.157 32.351 32.500 0.013 0.000 0.746 617 K HN 0.342 nan 8.250 nan 0.000 0.461 618 M N 0.485 119.997 119.600 -0.147 0.000 2.200 618 M HA -0.030 4.443 4.480 -0.013 0.000 0.265 618 M C 2.035 178.280 176.300 -0.091 0.000 1.066 618 M CA 1.326 56.581 55.300 -0.076 0.000 1.127 618 M CB -0.448 32.069 32.600 -0.138 0.000 1.379 618 M HN 0.103 nan 8.290 nan 0.000 0.420 619 I N -0.422 120.053 120.570 -0.159 0.000 2.315 619 I HA -0.287 3.875 4.170 -0.013 0.000 0.248 619 I C 2.253 178.238 176.117 -0.219 0.000 1.117 619 I CA 0.965 62.159 61.300 -0.177 0.000 1.404 619 I CB -0.271 37.623 38.000 -0.177 0.000 1.071 619 I HN 0.162 nan 8.210 nan 0.000 0.419 620 I N 0.741 121.162 120.570 -0.249 0.000 2.226 620 I HA -0.297 3.865 4.170 -0.013 0.000 0.245 620 I C 2.562 178.383 176.117 -0.493 0.000 1.100 620 I CA 1.227 62.280 61.300 -0.411 0.000 1.374 620 I CB -0.214 37.535 38.000 -0.418 0.000 1.057 620 I HN 0.149 nan 8.210 nan 0.000 0.413 621 K N 1.367 121.501 120.400 -0.442 0.000 2.148 621 K HA -0.125 4.187 4.320 -0.013 0.000 0.204 621 K C 1.979 178.410 176.600 -0.282 0.000 1.050 621 K CA 1.346 57.287 56.287 -0.576 0.000 0.942 621 K CB -0.415 31.475 32.500 -1.017 0.000 0.724 621 K HN 0.239 nan 8.250 nan 0.000 0.446 622 L N 0.328 121.415 121.223 -0.226 0.000 2.027 622 L HA -0.121 4.211 4.340 -0.013 0.000 0.206 622 L C 2.117 178.746 176.870 -0.402 0.000 1.074 622 L CA 1.584 56.146 54.840 -0.464 0.000 0.745 622 L CB -0.287 41.428 42.059 -0.574 0.000 0.898 622 L HN 0.232 nan 8.230 nan 0.000 0.433 623 I N 0.005 120.387 120.570 -0.313 0.000 2.163 623 I HA -0.347 3.815 4.170 -0.013 0.000 0.243 623 I C 2.593 178.588 176.117 -0.203 0.000 1.085 623 I CA 1.994 63.159 61.300 -0.225 0.000 1.347 623 I CB -0.670 37.275 38.000 -0.092 0.000 1.044 623 I HN 0.435 nan 8.210 nan 0.000 0.408 624 T N -1.017 113.385 114.554 -0.252 0.000 2.951 624 T HA -0.002 4.340 4.350 -0.013 0.000 0.268 624 T C 1.950 176.566 174.700 -0.140 0.000 1.073 624 T CA 0.837 62.822 62.100 -0.192 0.000 1.134 624 T CB -0.350 68.359 68.868 -0.265 0.000 0.884 624 T HN 0.346 nan 8.240 nan 0.000 0.479 625 A N 1.535 124.263 122.820 -0.152 0.000 1.898 625 A HA 0.174 4.487 4.320 -0.013 0.000 0.216 625 A C 2.335 179.892 177.584 -0.044 0.000 1.181 625 A CA 1.166 53.175 52.037 -0.047 0.000 0.620 625 A CB -0.785 18.256 19.000 0.068 0.000 0.819 625 A HN 0.557 nan 8.150 nan 0.000 0.442 626 I N -0.169 120.267 120.570 -0.224 0.000 2.226 626 I HA -0.198 3.965 4.170 -0.013 0.000 0.245 626 I C 2.673 178.722 176.117 -0.113 0.000 1.100 626 I CA 1.189 62.335 61.300 -0.256 0.000 1.374 626 I CB -0.498 37.245 38.000 -0.428 0.000 1.057 626 I HN 0.385 nan 8.210 nan 0.000 0.413 627 G N 0.162 108.892 108.800 -0.116 0.000 2.422 627 G HA2 -0.240 3.712 3.960 -0.013 0.000 0.218 627 G HA3 -0.240 3.712 3.960 -0.013 0.000 0.218 627 G C 1.270 176.119 174.900 -0.084 0.000 1.146 627 G CA 0.853 45.892 45.100 -0.102 0.000 0.769 627 G HN 0.274 nan 8.290 nan 0.000 0.547 628 D N 0.176 120.571 120.400 -0.008 0.000 2.123 628 D HA -0.092 4.540 4.640 -0.013 0.000 0.196 628 D C 2.758 179.135 176.300 0.128 0.000 0.992 628 D CA 0.797 54.863 54.000 0.110 0.000 0.833 628 D CB -0.334 40.512 40.800 0.076 0.000 0.954 628 D HN 0.226 nan 8.370 nan 0.000 0.455 629 V N 0.406 120.327 119.914 0.012 0.000 2.255 629 V HA -0.168 3.945 4.120 -0.013 0.000 0.243 629 V C 2.665 178.688 176.094 -0.117 0.000 1.038 629 V CA 0.926 63.178 62.300 -0.080 0.000 1.008 629 V CB -0.479 31.230 31.823 -0.192 0.000 0.645 629 V HN 0.029 nan 8.190 nan 0.000 0.449 630 V N 0.967 120.753 119.914 -0.213 0.000 2.287 630 V HA -0.243 3.870 4.120 -0.013 0.000 0.248 630 V C 2.143 178.183 176.094 -0.089 0.000 1.053 630 V CA 2.184 64.371 62.300 -0.187 0.000 1.027 630 V CB -0.923 30.793 31.823 -0.180 0.000 0.646 630 V HN 0.580 nan 8.190 nan 0.000 0.447 631 N N -0.475 118.095 118.700 -0.215 0.000 2.573 631 N HA -0.086 4.647 4.740 -0.013 0.000 0.187 631 N C 1.112 176.327 175.510 -0.492 0.000 1.107 631 N CA 0.889 53.723 53.050 -0.359 0.000 0.918 631 N CB -0.294 37.898 38.487 -0.492 0.000 0.966 631 N HN 0.709 nan 8.380 nan 0.000 0.448 632 H N -1.675 117.407 119.070 0.020 0.000 2.785 632 H HA 0.207 4.756 4.556 -0.012 0.000 0.268 632 H C -0.583 174.771 175.328 0.044 0.000 1.153 632 H CA -0.506 55.556 56.048 0.023 0.000 1.111 632 H CB 0.720 30.483 29.762 0.002 0.000 1.633 632 H HN -0.037 nan 8.280 nan 0.000 0.576 633 D N 1.696 122.179 120.400 0.137 0.000 2.316 633 D HA 0.055 4.687 4.640 -0.013 0.000 0.245 633 D C -1.632 174.735 176.300 0.112 0.000 1.171 633 D CA -2.124 51.972 54.000 0.159 0.000 0.856 633 D CB 1.762 42.734 40.800 0.285 0.000 1.090 633 D HN 0.108 nan 8.370 nan 0.000 0.476 634 P HA -0.114 nan 4.420 nan 0.000 0.218 634 P C 1.570 178.897 177.300 0.045 0.000 1.149 634 P CA 0.366 63.503 63.100 0.060 0.000 0.817 634 P CB 0.436 32.166 31.700 0.050 0.000 0.785 635 V N -0.573 119.365 119.914 0.041 0.000 2.515 635 V HA -0.161 3.952 4.120 -0.013 0.000 0.250 635 V C 2.443 178.542 176.094 0.008 0.000 1.058 635 V CA 1.458 63.766 62.300 0.014 0.000 1.064 635 V CB -0.971 30.846 31.823 -0.010 0.000 0.675 635 V HN -0.019 nan 8.190 nan 0.000 0.461 636 V N -0.207 119.729 119.914 0.035 0.000 2.379 636 V HA 0.098 4.211 4.120 -0.013 0.000 0.245 636 V C 1.803 177.911 176.094 0.023 0.000 1.044 636 V CA 1.542 63.863 62.300 0.034 0.000 1.036 636 V CB -1.167 30.721 31.823 0.108 0.000 0.664 636 V HN 0.733 nan 8.190 nan 0.000 0.453 637 G N 1.442 110.263 108.800 0.035 0.000 2.556 637 G HA2 -0.405 3.548 3.960 -0.013 0.000 0.283 637 G HA3 -0.405 3.548 3.960 -0.013 0.000 0.283 637 G C 0.267 175.186 174.900 0.031 0.000 1.177 637 G CA 0.617 45.736 45.100 0.033 0.000 0.978 637 G HN 0.730 nan 8.290 nan 0.000 0.554 638 D N -0.104 120.316 120.400 0.033 0.000 2.368 638 D HA 0.327 4.959 4.640 -0.013 0.000 0.218 638 D C 1.868 178.175 176.300 0.012 0.000 1.112 638 D CA 0.242 54.265 54.000 0.037 0.000 0.834 638 D CB 0.128 40.966 40.800 0.064 0.000 0.953 638 D HN 0.573 nan 8.370 nan 0.000 0.505 639 R N -0.587 119.907 120.500 -0.011 0.000 2.193 639 R HA 0.268 4.600 4.340 -0.013 0.000 0.213 639 R C -0.174 176.090 176.300 -0.059 0.000 1.055 639 R CA 0.337 56.405 56.100 -0.054 0.000 0.995 639 R CB 0.162 30.408 30.300 -0.090 0.000 0.893 639 R HN 0.175 nan 8.270 nan 0.000 0.459 640 L N 0.694 121.900 121.223 -0.029 0.000 2.562 640 L HA 0.378 4.710 4.340 -0.013 0.000 0.266 640 L C -1.612 175.241 176.870 -0.028 0.000 0.949 640 L CA -0.514 54.307 54.840 -0.031 0.000 0.879 640 L CB 1.633 43.685 42.059 -0.011 0.000 1.278 640 L HN -0.130 nan 8.230 nan 0.000 0.404 641 R N 4.115 124.584 120.500 -0.051 0.000 2.621 641 R HA 0.761 5.094 4.340 -0.013 0.000 0.292 641 R C -1.497 174.751 176.300 -0.087 0.000 0.969 641 R CA -0.856 55.202 56.100 -0.070 0.000 0.887 641 R CB 2.359 32.617 30.300 -0.070 0.000 1.180 641 R HN 0.384 nan 8.270 nan 0.000 0.450 642 V N 4.790 124.647 119.914 -0.094 0.000 2.350 642 V HA 0.457 4.569 4.120 -0.013 0.000 0.285 642 V C -0.139 175.909 176.094 -0.077 0.000 1.014 642 V CA -0.610 61.636 62.300 -0.090 0.000 0.831 642 V CB 1.442 33.207 31.823 -0.097 0.000 1.000 642 V HN 0.581 nan 8.190 nan 0.000 0.433 643 I N 4.715 125.239 120.570 -0.076 0.000 2.465 643 I HA 0.457 4.619 4.170 -0.013 0.000 0.291 643 I C -0.781 175.319 176.117 -0.029 0.000 1.014 643 I CA -0.454 60.813 61.300 -0.055 0.000 1.093 643 I CB 2.074 40.016 38.000 -0.096 0.000 1.267 643 I HN 0.567 nan 8.210 nan 0.000 0.431 644 F N 7.554 127.436 119.950 -0.115 0.000 2.391 644 F HA 0.443 4.962 4.527 -0.012 0.000 0.359 644 F C -0.696 175.032 175.800 -0.119 0.000 1.122 644 F CA -0.753 57.178 58.000 -0.113 0.000 1.120 644 F CB 0.628 39.566 39.000 -0.103 0.000 1.142 644 F HN 0.140 nan 8.300 nan 0.000 0.483 645 L N 5.975 126.792 121.223 -0.676 0.000 2.385 645 L HA 0.150 4.483 4.340 -0.013 0.000 0.281 645 L C 0.352 176.905 176.870 -0.528 0.000 1.106 645 L CA 0.182 54.729 54.840 -0.487 0.000 0.856 645 L CB 0.058 41.913 42.059 -0.341 0.000 1.186 645 L HN 0.629 nan 8.230 nan 0.000 0.453 646 E N 3.016 123.037 120.200 -0.298 0.000 2.383 646 E HA -0.016 4.327 4.350 -0.013 0.000 0.264 646 E C 0.492 177.117 176.600 0.042 0.000 1.050 646 E CA -0.247 56.129 56.400 -0.041 0.000 0.896 646 E CB 0.329 30.017 29.700 -0.021 0.000 0.982 646 E HN 0.517 nan 8.360 nan 0.000 0.424 647 N N 2.347 121.148 118.700 0.168 0.000 2.705 647 N HA -0.286 4.446 4.740 -0.013 0.000 0.255 647 N C -1.529 174.073 175.510 0.154 0.000 1.008 647 N CA 0.523 53.680 53.050 0.178 0.000 0.742 647 N CB -1.284 37.333 38.487 0.217 0.000 0.906 647 N HN 0.418 nan 8.380 nan 0.000 0.541 648 Y N 1.490 121.782 120.300 -0.013 0.000 2.632 648 Y HA 0.170 4.713 4.550 -0.013 0.000 0.329 648 Y C 1.113 177.021 175.900 0.013 0.000 1.174 648 Y CA 0.365 58.444 58.100 -0.035 0.000 1.469 648 Y CB 0.312 38.720 38.460 -0.086 0.000 1.242 648 Y HN 0.382 nan 8.280 nan 0.000 0.540 649 R N 2.532 122.728 120.500 -0.507 0.000 2.762 649 R HA 0.481 4.813 4.340 -0.013 0.000 0.271 649 R C -0.158 175.807 176.300 -0.558 0.000 1.038 649 R CA -0.662 55.184 56.100 -0.424 0.000 0.906 649 R CB 0.365 30.605 30.300 -0.100 0.000 1.259 649 R HN 0.356 nan 8.270 nan 0.000 0.457 650 V N 1.106 120.710 119.914 -0.517 0.000 2.231 650 V HA -0.330 3.782 4.120 -0.013 0.000 0.250 650 V C 2.616 178.589 176.094 -0.201 0.000 1.058 650 V CA 2.993 65.067 62.300 -0.376 0.000 1.022 650 V CB -0.895 30.670 31.823 -0.429 0.000 0.640 650 V HN 0.974 nan 8.190 nan 0.000 0.445 651 S N 0.129 115.728 115.700 -0.168 0.000 2.402 651 S HA -0.225 4.238 4.470 -0.013 0.000 0.233 651 S C 1.929 176.486 174.600 -0.071 0.000 1.030 651 S CA 1.951 60.087 58.200 -0.106 0.000 1.003 651 S CB -0.597 62.571 63.200 -0.054 0.000 0.813 651 S HN 0.395 nan 8.310 nan 0.000 0.477 652 L N 1.926 123.111 121.223 -0.065 0.000 2.131 652 L HA 0.364 4.697 4.340 -0.013 0.000 0.206 652 L C 2.652 179.520 176.870 -0.004 0.000 1.087 652 L CA 1.372 56.210 54.840 -0.004 0.000 0.767 652 L CB -1.458 40.650 42.059 0.082 0.000 0.917 652 L HN 0.347 nan 8.230 nan 0.000 0.441 653 A N -0.521 122.273 122.820 -0.043 0.000 1.908 653 A HA -0.229 4.084 4.320 -0.013 0.000 0.218 653 A C 2.084 179.708 177.584 0.068 0.000 1.181 653 A CA 1.772 53.851 52.037 0.070 0.000 0.627 653 A CB -0.645 18.364 19.000 0.014 0.000 0.818 653 A HN 0.605 nan 8.150 nan 0.000 0.445 654 E N -0.504 119.734 120.200 0.063 0.000 2.401 654 E HA -0.150 4.193 4.350 -0.013 0.000 0.199 654 E C 1.717 178.283 176.600 -0.057 0.000 1.023 654 E CA 1.038 57.443 56.400 0.009 0.000 0.859 654 E CB -0.035 29.584 29.700 -0.135 0.000 0.780 654 E HN 0.632 nan 8.360 nan 0.000 0.523 655 K N -0.185 120.155 120.400 -0.099 0.000 2.190 655 K HA -0.008 4.304 4.320 -0.013 0.000 0.202 655 K C 2.175 178.564 176.600 -0.353 0.000 1.045 655 K CA 0.767 56.971 56.287 -0.139 0.000 0.976 655 K CB 0.387 32.809 32.500 -0.130 0.000 0.849 655 K HN -0.015 nan 8.250 nan 0.000 0.468 656 V N 0.685 120.292 119.914 -0.513 0.000 2.323 656 V HA -0.161 3.951 4.120 -0.013 0.000 0.244 656 V C 2.182 178.018 176.094 -0.431 0.000 1.041 656 V CA 1.237 63.061 62.300 -0.793 0.000 1.025 656 V CB -0.798 30.675 31.823 -0.584 0.000 0.656 656 V HN 0.171 nan 8.190 nan 0.000 0.451 657 I N 1.019 121.364 120.570 -0.375 0.000 2.151 657 I HA -0.173 3.989 4.170 -0.013 0.000 0.243 657 I C -0.042 175.933 176.117 -0.236 0.000 1.080 657 I CA 2.005 63.000 61.300 -0.509 0.000 1.339 657 I CB -1.711 35.886 38.000 -0.671 0.000 1.039 657 I HN 0.367 nan 8.210 nan 0.000 0.409 658 P HA -0.099 nan 4.420 nan 0.000 0.222 658 P C 0.838 178.130 177.300 -0.013 0.000 1.147 658 P CA 1.256 64.325 63.100 -0.053 0.000 0.790 658 P CB 0.028 31.708 31.700 -0.032 0.000 0.780 659 A N -1.374 121.422 122.820 -0.039 0.000 2.345 659 A HA 0.541 4.854 4.320 -0.013 0.000 0.225 659 A C 1.065 178.757 177.584 0.180 0.000 1.243 659 A CA -0.030 52.046 52.037 0.064 0.000 0.875 659 A CB -0.556 18.502 19.000 0.096 0.000 0.929 659 A HN 0.188 nan 8.150 nan 0.000 0.502 660 A N -0.334 122.580 122.820 0.157 0.000 2.316 660 A HA 0.527 4.840 4.320 -0.013 0.000 0.284 660 A C 0.304 178.037 177.584 0.248 0.000 1.115 660 A CA -0.245 51.951 52.037 0.266 0.000 0.812 660 A CB 0.453 19.713 19.000 0.433 0.000 1.064 660 A HN 0.233 nan 8.150 nan 0.000 0.489 661 D N 0.304 120.846 120.400 0.236 0.000 2.525 661 D HA 0.143 4.775 4.640 -0.013 0.000 0.248 661 D C -0.005 176.478 176.300 0.304 0.000 1.000 661 D CA 0.678 54.850 54.000 0.288 0.000 0.923 661 D CB 0.276 41.163 40.800 0.146 0.000 1.101 661 D HN 0.357 nan 8.370 nan 0.000 0.493 662 L N 1.226 122.523 121.223 0.124 0.000 2.333 662 L HA 0.311 4.644 4.340 -0.013 0.000 0.280 662 L C -0.655 176.086 176.870 -0.215 0.000 1.004 662 L CA -0.289 54.549 54.840 -0.003 0.000 0.820 662 L CB 2.000 44.026 42.059 -0.056 0.000 1.247 662 L HN -0.145 nan 8.230 nan 0.000 0.416 663 S N 4.202 119.684 115.700 -0.365 0.000 2.442 663 S HA 0.353 4.815 4.470 -0.013 0.000 0.297 663 S C -0.475 173.840 174.600 -0.475 0.000 1.131 663 S CA -0.676 57.046 58.200 -0.796 0.000 1.092 663 S CB 0.849 63.494 63.200 -0.926 0.000 0.998 663 S HN 0.559 nan 8.310 nan 0.000 0.478 664 E N 4.052 123.984 120.200 -0.448 0.000 2.055 664 E HA 0.229 4.571 4.350 -0.013 0.000 0.274 664 E C -0.621 175.867 176.600 -0.186 0.000 0.949 664 E CA -0.491 55.779 56.400 -0.218 0.000 0.775 664 E CB 1.148 30.753 29.700 -0.159 0.000 1.097 664 E HN 0.607 nan 8.360 nan 0.000 0.404 665 Q N 2.915 122.658 119.800 -0.096 0.000 2.943 665 Q HA 0.256 4.588 4.340 -0.013 0.000 0.327 665 Q C 0.650 176.629 176.000 -0.035 0.000 0.937 665 Q CA -0.140 55.618 55.803 -0.075 0.000 0.914 665 Q CB 0.296 29.001 28.738 -0.055 0.000 1.339 665 Q HN 0.619 nan 8.270 nan 0.000 0.417 666 I N -1.353 119.190 120.570 -0.046 0.000 3.626 666 I HA 0.261 4.424 4.170 -0.013 0.000 0.345 666 I C 0.199 176.260 176.117 -0.094 0.000 1.502 666 I CA -0.537 60.742 61.300 -0.036 0.000 1.135 666 I CB 0.068 38.064 38.000 -0.007 0.000 1.456 666 I HN -0.033 nan 8.210 nan 0.000 0.460 667 S N 0.492 116.135 115.700 -0.095 0.000 2.593 667 S HA 0.263 4.725 4.470 -0.013 0.000 0.269 667 S C 0.523 175.101 174.600 -0.036 0.000 1.334 667 S CA -0.372 57.788 58.200 -0.066 0.000 1.015 667 S CB 0.726 63.929 63.200 0.005 0.000 0.912 667 S HN 0.416 nan 8.310 nan 0.000 0.541 668 T N 2.472 117.041 114.554 0.026 0.000 2.853 668 T HA 0.410 4.752 4.350 -0.013 0.000 0.298 668 T C 0.695 175.408 174.700 0.021 0.000 0.978 668 T CA 0.144 62.269 62.100 0.041 0.000 1.152 668 T CB 0.060 69.026 68.868 0.165 0.000 0.914 668 T HN 0.976 nan 8.240 nan 0.000 0.539 669 A N 2.853 125.654 122.820 -0.031 0.000 2.573 669 A HA 0.427 4.739 4.320 -0.013 0.000 0.250 669 A C 1.650 179.227 177.584 -0.011 0.000 1.049 669 A CA 0.378 52.392 52.037 -0.039 0.000 0.767 669 A CB -0.959 18.006 19.000 -0.058 0.000 0.965 669 A HN 1.677 nan 8.150 nan 0.000 0.514 670 G N 1.452 110.245 108.800 -0.012 0.000 2.176 670 G HA2 -0.240 3.712 3.960 -0.013 0.000 0.232 670 G HA3 -0.240 3.712 3.960 -0.013 0.000 0.232 670 G C 0.931 175.823 174.900 -0.015 0.000 0.986 670 G CA 1.098 46.194 45.100 -0.008 0.000 0.643 670 G HN 2.040 nan 8.290 nan 0.000 0.522 671 T N -2.353 112.193 114.554 -0.013 0.000 3.034 671 T HA 0.396 4.739 4.350 -0.013 0.000 0.248 671 T C 0.765 175.338 174.700 -0.211 0.000 1.040 671 T CA 1.120 63.154 62.100 -0.109 0.000 1.107 671 T CB 0.526 69.373 68.868 -0.035 0.000 0.932 671 T HN 0.278 nan 8.240 nan 0.000 0.474 672 E N 1.451 121.648 120.200 -0.004 0.000 2.052 672 E HA 0.659 5.001 4.350 -0.013 0.000 0.283 672 E C 1.185 177.744 176.600 -0.069 0.000 1.071 672 E CA 0.106 56.542 56.400 0.060 0.000 0.851 672 E CB 0.802 30.579 29.700 0.129 0.000 1.066 672 E HN 0.345 nan 8.360 nan 0.000 0.396 673 A N 3.487 126.194 122.820 -0.188 0.000 1.903 673 A HA -0.248 4.065 4.320 -0.013 0.000 0.219 673 A C 1.956 179.428 177.584 -0.188 0.000 1.191 673 A CA 2.433 54.233 52.037 -0.395 0.000 0.638 673 A CB -0.314 18.290 19.000 -0.661 0.000 0.823 673 A HN 0.635 nan 8.150 nan 0.000 0.451 674 S N -4.322 111.323 115.700 -0.091 0.000 4.428 674 S HA 0.449 4.912 4.470 -0.013 0.000 0.199 674 S C 0.682 175.268 174.600 -0.023 0.000 1.156 674 S CA 1.353 59.537 58.200 -0.027 0.000 1.134 674 S CB -0.184 63.023 63.200 0.013 0.000 1.531 674 S HN 2.369 nan 8.310 nan 0.000 0.551 675 G N 0.178 108.971 108.800 -0.012 0.000 2.690 675 G HA2 0.022 3.974 3.960 -0.013 0.000 0.686 675 G HA3 0.022 3.974 3.960 -0.013 0.000 0.686 675 G C 0.216 175.093 174.900 -0.039 0.000 1.277 675 G CA 0.438 45.527 45.100 -0.019 0.000 0.799 675 G HN 1.441 nan 8.290 nan 0.000 0.613 676 T N -2.389 112.128 114.554 -0.060 0.000 3.074 676 T HA 0.386 4.728 4.350 -0.013 0.000 0.258 676 T C 2.298 176.898 174.700 -0.167 0.000 0.891 676 T CA 1.244 63.280 62.100 -0.107 0.000 0.867 676 T CB 0.307 69.108 68.868 -0.112 0.000 1.261 676 T HN 1.894 nan 8.240 nan 0.000 0.537 677 G N 3.255 111.986 108.800 -0.115 0.000 2.418 677 G HA2 -0.253 3.700 3.960 -0.013 0.000 0.217 677 G HA3 -0.253 3.700 3.960 -0.013 0.000 0.217 677 G C 1.458 176.409 174.900 0.085 0.000 1.158 677 G CA 1.181 46.236 45.100 -0.076 0.000 0.771 677 G HN 0.808 nan 8.290 nan 0.000 0.545 678 N N 0.292 119.024 118.700 0.052 0.000 2.094 678 N HA -0.196 4.536 4.740 -0.013 0.000 0.191 678 N C 2.240 177.761 175.510 0.020 0.000 1.023 678 N CA 1.542 54.623 53.050 0.050 0.000 0.857 678 N CB -0.393 38.073 38.487 -0.036 0.000 1.013 678 N HN 0.352 nan 8.380 nan 0.000 0.426 679 M N 0.794 120.334 119.600 -0.098 0.000 2.132 679 M HA -0.049 4.424 4.480 -0.013 0.000 0.263 679 M C 2.093 178.353 176.300 -0.067 0.000 1.065 679 M CA 1.509 56.735 55.300 -0.124 0.000 1.122 679 M CB -0.147 32.373 32.600 -0.134 0.000 1.365 679 M HN 0.098 nan 8.290 nan 0.000 0.411 680 K N 0.026 120.318 120.400 -0.180 0.000 2.063 680 K HA -0.133 4.179 4.320 -0.013 0.000 0.208 680 K C 1.678 178.174 176.600 -0.174 0.000 1.048 680 K CA 1.476 57.589 56.287 -0.290 0.000 0.928 680 K CB -0.257 31.846 32.500 -0.663 0.000 0.713 680 K HN 0.167 nan 8.250 nan 0.000 0.442 681 F N 0.780 120.661 119.950 -0.115 0.000 2.186 681 F HA -0.091 4.428 4.527 -0.013 0.000 0.299 681 F C 2.514 178.290 175.800 -0.041 0.000 1.090 681 F CA 1.061 59.018 58.000 -0.072 0.000 1.307 681 F CB -0.248 38.700 39.000 -0.087 0.000 1.019 681 F HN -0.008 nan 8.300 nan 0.000 0.489 682 M N -0.319 119.375 119.600 0.157 0.000 2.159 682 M HA -0.188 4.284 4.480 -0.013 0.000 0.263 682 M C 1.973 178.335 176.300 0.103 0.000 1.063 682 M CA 1.610 56.972 55.300 0.104 0.000 1.110 682 M CB -0.184 32.477 32.600 0.103 0.000 1.374 682 M HN 0.285 nan 8.290 nan 0.000 0.411 683 L N 0.268 121.551 121.223 0.099 0.000 2.492 683 L HA 0.043 4.375 4.340 -0.013 0.000 0.223 683 L C 0.947 177.866 176.870 0.081 0.000 1.132 683 L CA 1.149 56.051 54.840 0.103 0.000 0.850 683 L CB -0.307 41.825 42.059 0.123 0.000 0.966 683 L HN 0.276 nan 8.230 nan 0.000 0.454 684 N N 0.197 118.937 118.700 0.066 0.000 2.275 684 N HA 0.204 4.937 4.740 -0.013 0.000 0.236 684 N C 0.721 176.268 175.510 0.061 0.000 1.154 684 N CA 0.726 53.806 53.050 0.050 0.000 0.866 684 N CB 0.654 39.146 38.487 0.009 0.000 1.093 684 N HN 0.343 nan 8.380 nan 0.000 0.515 685 G N 0.726 109.567 108.800 0.069 0.000 2.212 685 G HA2 -0.196 3.757 3.960 -0.013 0.000 0.255 685 G HA3 -0.196 3.757 3.960 -0.013 0.000 0.255 685 G C -0.051 174.919 174.900 0.117 0.000 1.062 685 G CA 0.288 45.431 45.100 0.072 0.000 0.815 685 G HN 0.532 nan 8.290 nan 0.000 0.497 686 A N -0.766 122.130 122.820 0.128 0.000 2.356 686 A HA 0.911 5.224 4.320 -0.013 0.000 0.323 686 A C -0.355 177.241 177.584 0.021 0.000 1.119 686 A CA -0.762 51.371 52.037 0.160 0.000 0.790 686 A CB 1.559 20.721 19.000 0.270 0.000 1.273 686 A HN 0.795 nan 8.150 nan 0.000 0.452 687 L N 0.691 121.899 121.223 -0.024 0.000 2.343 687 L HA 0.572 4.904 4.340 -0.013 0.000 0.275 687 L C 0.402 177.149 176.870 -0.206 0.000 1.056 687 L CA 0.387 55.109 54.840 -0.195 0.000 0.804 687 L CB 1.674 43.537 42.059 -0.326 0.000 1.203 687 L HN 0.734 nan 8.230 nan 0.000 0.440 688 T N 4.397 118.698 114.554 -0.423 0.000 2.758 688 T HA 0.507 4.850 4.350 -0.013 0.000 0.285 688 T C -0.207 174.373 174.700 -0.201 0.000 0.981 688 T CA -0.138 61.699 62.100 -0.438 0.000 0.965 688 T CB 0.733 69.165 68.868 -0.727 0.000 0.927 688 T HN 0.440 nan 8.240 nan 0.000 0.448 689 I N 3.111 123.659 120.570 -0.037 0.000 2.339 689 I HA 0.721 4.883 4.170 -0.013 0.000 0.290 689 I C 0.129 176.402 176.117 0.259 0.000 0.994 689 I CA 0.104 61.502 61.300 0.163 0.000 1.191 689 I CB 0.281 38.301 38.000 0.033 0.000 1.343 689 I HN 0.787 nan 8.210 nan 0.000 0.458 690 G N 4.010 113.030 108.800 0.367 0.000 2.548 690 G HA2 0.434 4.387 3.960 -0.013 0.000 0.301 690 G HA3 0.434 4.387 3.960 -0.013 0.000 0.301 690 G C -0.971 173.824 174.900 -0.174 0.000 1.349 690 G CA -0.230 44.982 45.100 0.186 0.000 0.792 690 G HN 0.586 nan 8.290 nan 0.000 0.481 691 T N -1.774 112.573 114.554 -0.344 0.000 2.927 691 T HA 0.540 4.883 4.350 -0.013 0.000 0.281 691 T C 0.685 175.267 174.700 -0.197 0.000 0.998 691 T CA -0.706 61.131 62.100 -0.439 0.000 1.019 691 T CB 1.316 69.923 68.868 -0.435 0.000 1.061 691 T HN 0.270 nan 8.240 nan 0.000 0.518 692 M N 2.923 122.419 119.600 -0.174 0.000 3.596 692 M HA 0.300 4.773 4.480 -0.013 0.000 0.212 692 M C -0.415 175.829 176.300 -0.093 0.000 1.519 692 M CA -0.001 55.230 55.300 -0.115 0.000 1.670 692 M CB -1.951 30.591 32.600 -0.097 0.000 1.113 692 M HN 0.724 nan 8.290 nan 0.000 0.565 693 D N -0.305 120.045 120.400 -0.084 0.000 2.575 693 D HA 0.673 5.305 4.640 -0.013 0.000 0.236 693 D C 0.747 177.022 176.300 -0.042 0.000 1.075 693 D CA 0.711 54.677 54.000 -0.056 0.000 0.860 693 D CB 1.705 42.474 40.800 -0.052 0.000 1.475 693 D HN 0.574 nan 8.370 nan 0.000 0.474 694 G N 1.756 110.542 108.800 -0.024 0.000 2.614 694 G HA2 -0.259 3.693 3.960 -0.013 0.000 0.303 694 G HA3 -0.259 3.693 3.960 -0.013 0.000 0.303 694 G C 1.023 175.910 174.900 -0.020 0.000 1.270 694 G CA 1.057 46.147 45.100 -0.016 0.000 0.988 694 G HN 1.049 nan 8.290 nan 0.000 0.551 695 A N -0.293 122.507 122.820 -0.033 0.000 2.209 695 A HA 0.095 4.407 4.320 -0.013 0.000 0.212 695 A C 2.101 179.612 177.584 -0.122 0.000 1.158 695 A CA 1.840 53.846 52.037 -0.050 0.000 0.742 695 A CB -0.456 18.491 19.000 -0.087 0.000 0.790 695 A HN 0.617 nan 8.150 nan 0.000 0.472 696 N N 0.468 119.104 118.700 -0.107 0.000 2.137 696 N HA -0.150 4.582 4.740 -0.013 0.000 0.190 696 N C 1.582 176.954 175.510 -0.231 0.000 1.017 696 N CA 1.584 54.559 53.050 -0.125 0.000 0.859 696 N CB -0.563 37.898 38.487 -0.043 0.000 1.002 696 N HN 0.295 nan 8.380 nan 0.000 0.428 697 V N 1.275 121.100 119.914 -0.148 0.000 2.343 697 V HA -0.203 3.909 4.120 -0.013 0.000 0.247 697 V C 1.933 177.950 176.094 -0.129 0.000 1.051 697 V CA 1.646 63.859 62.300 -0.145 0.000 1.036 697 V CB -0.468 31.307 31.823 -0.079 0.000 0.654 697 V HN 0.358 nan 8.190 nan 0.000 0.451 698 E N -0.572 119.608 120.200 -0.034 0.000 2.208 698 E HA -0.122 4.221 4.350 -0.013 0.000 0.193 698 E C 2.185 178.908 176.600 0.205 0.000 0.988 698 E CA 1.014 57.474 56.400 0.101 0.000 0.828 698 E CB -0.153 29.690 29.700 0.238 0.000 0.763 698 E HN 0.565 nan 8.360 nan 0.000 0.478 699 M N 0.341 119.953 119.600 0.020 0.000 2.123 699 M HA -0.062 4.410 4.480 -0.013 0.000 0.263 699 M C 2.489 178.587 176.300 -0.337 0.000 1.069 699 M CA 1.370 56.646 55.300 -0.040 0.000 1.133 699 M CB -0.101 32.349 32.600 -0.249 0.000 1.356 699 M HN 0.109 nan 8.290 nan 0.000 0.415 700 A N 0.044 122.349 122.820 -0.859 0.000 1.969 700 A HA -0.197 4.116 4.320 -0.013 0.000 0.218 700 A C 1.990 179.375 177.584 -0.331 0.000 1.169 700 A CA 1.855 53.322 52.037 -0.951 0.000 0.635 700 A CB -0.756 17.684 19.000 -0.935 0.000 0.810 700 A HN 0.584 nan 8.150 nan 0.000 0.445 701 E N -0.320 119.753 120.200 -0.212 0.000 2.106 701 E HA -0.199 4.143 4.350 -0.013 0.000 0.192 701 E C 1.695 178.264 176.600 -0.051 0.000 0.984 701 E CA 1.215 57.556 56.400 -0.100 0.000 0.806 701 E CB -0.064 29.598 29.700 -0.064 0.000 0.750 701 E HN 0.556 nan 8.360 nan 0.000 0.458 702 E N -0.105 120.089 120.200 -0.009 0.000 2.112 702 E HA -0.078 4.264 4.350 -0.013 0.000 0.190 702 E C 1.720 178.342 176.600 0.037 0.000 0.979 702 E CA 1.016 57.431 56.400 0.024 0.000 0.814 702 E CB 0.099 29.849 29.700 0.083 0.000 0.762 702 E HN 0.358 nan 8.360 nan 0.000 0.460 703 A N 0.371 123.224 122.820 0.054 0.000 2.147 703 A HA 0.398 4.711 4.320 -0.013 0.000 0.211 703 A C 0.974 178.583 177.584 0.040 0.000 1.160 703 A CA 0.906 52.992 52.037 0.082 0.000 0.781 703 A CB 0.257 19.371 19.000 0.189 0.000 0.842 703 A HN 0.209 nan 8.150 nan 0.000 0.475 704 G N -0.388 108.409 108.800 -0.004 0.000 3.055 704 G HA2 -0.094 3.858 3.960 -0.013 0.000 0.686 704 G HA3 -0.094 3.858 3.960 -0.013 0.000 0.686 704 G C -0.056 174.833 174.900 -0.018 0.000 1.087 704 G CA -0.025 45.063 45.100 -0.019 0.000 0.779 704 G HN 0.236 nan 8.290 nan 0.000 0.599 705 E N 0.812 120.985 120.200 -0.044 0.000 2.267 705 E HA -0.138 4.205 4.350 -0.013 0.000 0.197 705 E C 2.036 178.623 176.600 -0.022 0.000 0.998 705 E CA 1.682 58.063 56.400 -0.032 0.000 0.830 705 E CB 0.089 29.764 29.700 -0.042 0.000 0.751 705 E HN 0.784 nan 8.360 nan 0.000 0.491 706 E N 0.584 120.758 120.200 -0.042 0.000 2.274 706 E HA -0.079 4.264 4.350 -0.013 0.000 0.194 706 E C 0.962 177.474 176.600 -0.147 0.000 0.996 706 E CA 0.651 57.003 56.400 -0.081 0.000 0.840 706 E CB 0.056 29.721 29.700 -0.057 0.000 0.772 706 E HN 0.152 nan 8.360 nan 0.000 0.491 707 N N -0.256 118.390 118.700 -0.091 0.000 2.251 707 N HA 0.142 4.874 4.740 -0.013 0.000 0.217 707 N C -0.939 174.486 175.510 -0.141 0.000 1.124 707 N CA 0.123 53.089 53.050 -0.140 0.000 0.843 707 N CB 0.396 38.858 38.487 -0.043 0.000 1.024 707 N HN 0.038 nan 8.380 nan 0.000 0.501 708 F N -0.431 119.301 119.950 -0.364 0.000 2.588 708 F HA 0.412 4.931 4.527 -0.014 0.000 0.314 708 F C -0.796 174.767 175.800 -0.396 0.000 1.069 708 F CA -1.078 56.744 58.000 -0.296 0.000 0.931 708 F CB 1.412 40.335 39.000 -0.128 0.000 1.260 708 F HN -0.219 nan 8.300 nan 0.000 0.465 709 F N 4.824 124.798 119.950 0.040 0.000 2.318 709 F HA 0.435 4.955 4.527 -0.012 0.000 0.356 709 F C -0.434 175.506 175.800 0.233 0.000 1.109 709 F CA -0.492 57.563 58.000 0.092 0.000 1.234 709 F CB 0.028 39.028 39.000 0.000 0.000 1.545 709 F HN 0.037 nan 8.300 nan 0.000 0.534 710 I N 3.539 124.315 120.570 0.342 0.000 2.396 710 I HA 0.400 4.563 4.170 -0.013 0.000 0.292 710 I C -0.093 176.198 176.117 0.288 0.000 0.999 710 I CA -0.420 61.035 61.300 0.258 0.000 1.310 710 I CB 0.605 38.678 38.000 0.122 0.000 1.404 710 I HN 0.358 nan 8.210 nan 0.000 0.496 711 F N 3.215 123.234 119.950 0.114 0.000 2.754 711 F HA 0.927 5.446 4.527 -0.013 0.000 0.320 711 F C 0.193 176.036 175.800 0.072 0.000 1.156 711 F CA -0.607 57.451 58.000 0.096 0.000 0.950 711 F CB 0.660 39.732 39.000 0.119 0.000 1.388 711 F HN 0.842 nan 8.300 nan 0.000 0.485 712 G N 0.930 109.839 108.800 0.181 0.000 2.796 712 G HA2 -0.165 3.788 3.960 -0.013 0.000 0.226 712 G HA3 -0.165 3.788 3.960 -0.013 0.000 0.226 712 G C -0.695 174.190 174.900 -0.025 0.000 1.381 712 G CA -0.412 44.717 45.100 0.048 0.000 0.867 712 G HN 0.974 nan 8.290 nan 0.000 0.552 713 M N 0.585 120.179 119.600 -0.010 0.000 2.252 713 M HA 0.246 4.718 4.480 -0.013 0.000 0.333 713 M C 1.248 177.520 176.300 -0.048 0.000 1.111 713 M CA 0.186 55.482 55.300 -0.007 0.000 1.140 713 M CB 0.353 32.955 32.600 0.004 0.000 1.538 713 M HN 0.580 nan 8.290 nan 0.000 0.448 714 R N 1.328 121.812 120.500 -0.028 0.000 2.606 714 R HA 0.350 4.682 4.340 -0.013 0.000 0.249 714 R C 1.125 177.407 176.300 -0.029 0.000 1.127 714 R CA -0.682 55.395 56.100 -0.039 0.000 1.133 714 R CB -0.177 30.107 30.300 -0.027 0.000 1.243 714 R HN 0.559 nan 8.270 nan 0.000 0.558 715 V N 1.894 121.789 119.914 -0.030 0.000 2.332 715 V HA -0.246 3.866 4.120 -0.013 0.000 0.248 715 V C 2.119 178.204 176.094 -0.016 0.000 1.055 715 V CA 2.020 64.306 62.300 -0.024 0.000 1.038 715 V CB -0.472 31.335 31.823 -0.027 0.000 0.651 715 V HN 0.616 nan 8.190 nan 0.000 0.450 716 E N 0.224 120.416 120.200 -0.012 0.000 2.058 716 E HA -0.259 4.083 4.350 -0.013 0.000 0.194 716 E C 1.828 178.432 176.600 0.007 0.000 0.997 716 E CA 1.687 58.085 56.400 -0.004 0.000 0.801 716 E CB -0.863 28.836 29.700 -0.002 0.000 0.746 716 E HN 0.636 nan 8.360 nan 0.000 0.450 717 D N 1.068 121.476 120.400 0.012 0.000 2.149 717 D HA -0.101 4.532 4.640 -0.013 0.000 0.198 717 D C 2.207 178.525 176.300 0.030 0.000 0.990 717 D CA 1.156 55.173 54.000 0.029 0.000 0.839 717 D CB -0.019 40.802 40.800 0.036 0.000 0.948 717 D HN 0.058 nan 8.370 nan 0.000 0.460 718 V N 1.926 121.846 119.914 0.009 0.000 2.295 718 V HA -0.220 3.893 4.120 -0.013 0.000 0.246 718 V C 2.029 178.126 176.094 0.004 0.000 1.049 718 V CA 1.754 64.052 62.300 -0.004 0.000 1.024 718 V CB -0.414 31.396 31.823 -0.020 0.000 0.648 718 V HN 0.038 nan 8.190 nan 0.000 0.447 719 D N -0.405 119.997 120.400 0.003 0.000 2.144 719 D HA -0.144 4.489 4.640 -0.013 0.000 0.199 719 D C 2.362 178.675 176.300 0.021 0.000 0.984 719 D CA 1.128 55.131 54.000 0.006 0.000 0.834 719 D CB -0.237 40.562 40.800 -0.001 0.000 0.955 719 D HN 0.305 nan 8.370 nan 0.000 0.465 720 R N 0.216 120.733 120.500 0.029 0.000 2.083 720 R HA -0.053 4.280 4.340 -0.013 0.000 0.237 720 R C 2.484 178.820 176.300 0.060 0.000 1.137 720 R CA 0.674 56.798 56.100 0.041 0.000 0.951 720 R CB -0.414 29.913 30.300 0.045 0.000 0.851 720 R HN 0.172 nan 8.270 nan 0.000 0.434 721 L N 0.529 121.798 121.223 0.076 0.000 2.083 721 L HA -0.231 4.101 4.340 -0.013 0.000 0.209 721 L C 1.445 178.382 176.870 0.112 0.000 1.083 721 L CA 1.442 56.354 54.840 0.120 0.000 0.752 721 L CB -0.294 41.852 42.059 0.145 0.000 0.899 721 L HN 0.299 nan 8.230 nan 0.000 0.433 722 D N -0.976 119.465 120.400 0.068 0.000 2.183 722 D HA -0.152 4.480 4.640 -0.013 0.000 0.203 722 D C 2.291 178.623 176.300 0.053 0.000 0.969 722 D CA 0.721 54.754 54.000 0.056 0.000 0.842 722 D CB 0.077 40.889 40.800 0.019 0.000 0.957 722 D HN 0.361 nan 8.370 nan 0.000 0.484 723 Q N 0.591 120.418 119.800 0.044 0.000 2.020 723 Q HA -0.116 4.217 4.340 -0.013 0.000 0.202 723 Q C 2.279 178.307 176.000 0.047 0.000 0.982 723 Q CA 0.860 56.685 55.803 0.037 0.000 0.838 723 Q CB -0.466 28.291 28.738 0.032 0.000 0.899 723 Q HN 0.297 nan 8.270 nan 0.000 0.423 724 R N 0.227 120.762 120.500 0.058 0.000 2.094 724 R HA -0.087 4.245 4.340 -0.013 0.000 0.239 724 R C 0.248 176.590 176.300 0.071 0.000 1.137 724 R CA 1.342 57.480 56.100 0.063 0.000 0.943 724 R CB -0.212 30.136 30.300 0.079 0.000 0.850 724 R HN 0.430 nan 8.270 nan 0.000 0.433 725 G N -0.663 108.195 108.800 0.098 0.000 3.326 725 G HA2 -0.213 3.739 3.960 -0.013 0.000 0.681 725 G HA3 -0.213 3.739 3.960 -0.013 0.000 0.681 725 G C -1.452 173.549 174.900 0.169 0.000 1.255 725 G CA -0.474 44.692 45.100 0.110 0.000 0.976 725 G HN 0.305 nan 8.290 nan 0.000 0.563 726 Y N 3.909 124.247 120.300 0.062 0.000 2.436 726 Y HA 0.587 5.129 4.550 -0.013 0.000 0.343 726 Y C 0.285 176.247 175.900 0.103 0.000 1.008 726 Y CA -0.935 57.221 58.100 0.094 0.000 1.241 726 Y CB 0.940 39.437 38.460 0.061 0.000 1.153 726 Y HN 0.569 nan 8.280 nan 0.000 0.521 727 N N 5.071 123.549 118.700 -0.370 0.000 2.524 727 N HA 0.297 5.030 4.740 -0.013 0.000 0.261 727 N C 0.026 175.272 175.510 -0.439 0.000 0.998 727 N CA 0.280 53.126 53.050 -0.339 0.000 0.915 727 N CB 1.715 40.132 38.487 -0.118 0.000 1.187 727 N HN 0.874 nan 8.380 nan 0.000 0.507 728 A N 3.189 125.694 122.820 -0.525 0.000 2.015 728 A HA -0.177 4.135 4.320 -0.013 0.000 0.219 728 A C 1.930 179.656 177.584 0.236 0.000 1.163 728 A CA 1.204 53.188 52.037 -0.087 0.000 0.646 728 A CB -0.291 18.616 19.000 -0.154 0.000 0.806 728 A HN 0.761 nan 8.150 nan 0.000 0.448 729 Q N 0.345 120.174 119.800 0.048 0.000 2.112 729 Q HA -0.249 4.083 4.340 -0.013 0.000 0.206 729 Q C 1.883 177.954 176.000 0.120 0.000 0.987 729 Q CA 2.374 58.221 55.803 0.073 0.000 0.858 729 Q CB -0.373 28.365 28.738 -0.000 0.000 0.905 729 Q HN 0.754 nan 8.270 nan 0.000 0.420 730 E N -1.323 118.884 120.200 0.011 0.000 2.065 730 E HA -0.264 4.078 4.350 -0.013 0.000 0.201 730 E C 1.761 178.282 176.600 -0.131 0.000 1.016 730 E CA 1.770 58.102 56.400 -0.112 0.000 0.818 730 E CB -0.271 29.261 29.700 -0.279 0.000 0.749 730 E HN 0.580 nan 8.360 nan 0.000 0.453 731 Y N -1.223 119.123 120.300 0.076 0.000 2.224 731 Y HA -0.231 4.311 4.550 -0.013 0.000 0.289 731 Y C 2.211 178.076 175.900 -0.058 0.000 1.146 731 Y CA 1.562 59.688 58.100 0.043 0.000 1.182 731 Y CB -0.593 37.939 38.460 0.120 0.000 0.983 731 Y HN 0.269 nan 8.280 nan 0.000 0.524 732 Y N 1.096 121.392 120.300 -0.006 0.000 2.224 732 Y HA -0.242 4.301 4.550 -0.013 0.000 0.289 732 Y C 1.834 177.685 175.900 -0.081 0.000 1.146 732 Y CA 1.670 59.696 58.100 -0.123 0.000 1.182 732 Y CB -0.312 38.130 38.460 -0.030 0.000 0.983 732 Y HN 0.071 nan 8.280 nan 0.000 0.524 733 D N -0.194 120.272 120.400 0.110 0.000 2.149 733 D HA -0.103 4.530 4.640 -0.013 0.000 0.201 733 D C 1.879 178.139 176.300 -0.066 0.000 0.972 733 D CA 1.210 55.225 54.000 0.027 0.000 0.835 733 D CB -0.077 40.758 40.800 0.058 0.000 0.966 733 D HN 0.482 nan 8.370 nan 0.000 0.476 734 R N -0.005 120.454 120.500 -0.067 0.000 2.300 734 R HA 0.223 4.556 4.340 -0.013 0.000 0.199 734 R C 0.394 176.659 176.300 -0.057 0.000 0.920 734 R CA 0.104 56.167 56.100 -0.062 0.000 1.046 734 R CB 0.729 30.994 30.300 -0.058 0.000 0.984 734 R HN 0.162 nan 8.270 nan 0.000 0.493 735 I N 2.431 122.944 120.570 -0.094 0.000 2.437 735 I HA 0.217 4.380 4.170 -0.013 0.000 0.279 735 I C -1.876 174.135 176.117 -0.177 0.000 1.028 735 I CA -2.426 58.825 61.300 -0.082 0.000 1.142 735 I CB 2.301 40.283 38.000 -0.030 0.000 1.266 735 I HN -0.264 nan 8.210 nan 0.000 0.461 736 P HA -0.153 nan 4.420 nan 0.000 0.215 736 P C 1.213 178.416 177.300 -0.161 0.000 1.153 736 P CA 1.308 64.310 63.100 -0.164 0.000 0.853 736 P CB 0.301 31.939 31.700 -0.104 0.000 0.788 737 E N -0.872 119.274 120.200 -0.090 0.000 2.085 737 E HA -0.182 4.160 4.350 -0.013 0.000 0.194 737 E C 1.876 178.394 176.600 -0.136 0.000 0.994 737 E CA 0.852 57.221 56.400 -0.052 0.000 0.801 737 E CB -0.642 29.098 29.700 0.066 0.000 0.743 737 E HN 0.107 nan 8.360 nan 0.000 0.453 738 L N 1.396 122.453 121.223 -0.276 0.000 2.027 738 L HA -0.148 4.184 4.340 -0.013 0.000 0.206 738 L C 2.378 178.986 176.870 -0.437 0.000 1.074 738 L CA 1.688 56.192 54.840 -0.560 0.000 0.745 738 L CB -0.465 41.113 42.059 -0.802 0.000 0.898 738 L HN -0.068 nan 8.230 nan 0.000 0.433 739 R N -0.774 119.435 120.500 -0.486 0.000 2.083 739 R HA -0.252 4.080 4.340 -0.013 0.000 0.237 739 R C 2.405 178.548 176.300 -0.262 0.000 1.137 739 R CA 2.068 57.794 56.100 -0.623 0.000 0.951 739 R CB -0.438 29.406 30.300 -0.760 0.000 0.851 739 R HN 0.620 nan 8.270 nan 0.000 0.434 740 Q N 0.375 120.055 119.800 -0.201 0.000 2.152 740 Q HA -0.199 4.133 4.340 -0.013 0.000 0.206 740 Q C 2.035 177.995 176.000 -0.066 0.000 0.985 740 Q CA 1.972 57.704 55.803 -0.118 0.000 0.863 740 Q CB -0.106 28.562 28.738 -0.116 0.000 0.904 740 Q HN 0.505 nan 8.270 nan 0.000 0.422 741 I N -0.070 120.464 120.570 -0.059 0.000 2.202 741 I HA -0.264 3.899 4.170 -0.013 0.000 0.242 741 I C 2.103 178.267 176.117 0.078 0.000 1.091 741 I CA 0.720 62.033 61.300 0.022 0.000 1.368 741 I CB -0.143 37.851 38.000 -0.011 0.000 1.058 741 I HN 0.214 nan 8.210 nan 0.000 0.410 742 I N 0.739 121.350 120.570 0.068 0.000 2.286 742 I HA -0.269 3.893 4.170 -0.013 0.000 0.248 742 I C 2.318 178.544 176.117 0.181 0.000 1.115 742 I CA 1.610 63.012 61.300 0.170 0.000 1.392 742 I CB -0.310 37.871 38.000 0.302 0.000 1.065 742 I HN 0.194 nan 8.210 nan 0.000 0.418 743 E N -0.442 119.848 120.200 0.149 0.000 2.358 743 E HA -0.187 4.156 4.350 -0.013 0.000 0.195 743 E C 2.040 178.710 176.600 0.116 0.000 1.010 743 E CA 0.425 56.904 56.400 0.132 0.000 0.856 743 E CB -0.025 29.734 29.700 0.098 0.000 0.795 743 E HN 0.582 nan 8.360 nan 0.000 0.504 744 Q N 0.393 120.259 119.800 0.111 0.000 2.083 744 Q HA -0.036 4.297 4.340 -0.013 0.000 0.198 744 Q C 2.202 178.394 176.000 0.320 0.000 0.969 744 Q CA 0.735 56.619 55.803 0.134 0.000 0.838 744 Q CB 0.192 28.965 28.738 0.059 0.000 0.900 744 Q HN 0.277 nan 8.270 nan 0.000 0.436 745 L N -0.484 120.937 121.223 0.329 0.000 2.109 745 L HA -0.131 4.202 4.340 -0.013 0.000 0.207 745 L C 2.365 179.420 176.870 0.309 0.000 1.086 745 L CA 0.750 55.800 54.840 0.350 0.000 0.760 745 L CB -0.258 41.925 42.059 0.206 0.000 0.910 745 L HN 0.120 nan 8.230 nan 0.000 0.437 746 S N -0.404 115.434 115.700 0.229 0.000 2.402 746 S HA -0.120 4.343 4.470 -0.013 0.000 0.229 746 S C 2.004 176.705 174.600 0.168 0.000 1.021 746 S CA 1.466 59.777 58.200 0.185 0.000 0.974 746 S CB -0.067 63.221 63.200 0.148 0.000 0.800 746 S HN 0.588 nan 8.310 nan 0.000 0.484 747 S N -0.224 115.579 115.700 0.172 0.000 2.575 747 S HA 0.404 4.866 4.470 -0.013 0.000 0.215 747 S C 1.290 175.982 174.600 0.154 0.000 0.966 747 S CA 0.589 58.875 58.200 0.143 0.000 0.911 747 S CB 0.361 63.633 63.200 0.122 0.000 0.780 747 S HN 0.688 nan 8.310 nan 0.000 0.514 748 G N 1.001 109.924 108.800 0.205 0.000 2.131 748 G HA2 -0.306 3.646 3.960 -0.013 0.000 0.223 748 G HA3 -0.306 3.646 3.960 -0.013 0.000 0.223 748 G C 0.214 175.201 174.900 0.145 0.000 0.990 748 G CA 0.114 45.322 45.100 0.180 0.000 0.671 748 G HN 0.566 nan 8.290 nan 0.000 0.521 749 F N 0.230 120.187 119.950 0.013 0.000 2.161 749 F HA 0.166 4.686 4.527 -0.013 0.000 0.300 749 F C 1.879 177.509 175.800 -0.282 0.000 1.089 749 F CA 2.025 59.917 58.000 -0.179 0.000 1.282 749 F CB -0.050 38.760 39.000 -0.318 0.000 1.010 749 F HN 0.156 nan 8.300 nan 0.000 0.485 750 F N -0.112 119.872 119.950 0.057 0.000 2.727 750 F HA 0.198 4.717 4.527 -0.013 0.000 0.302 750 F C 0.663 176.518 175.800 0.091 0.000 1.097 750 F CA 0.265 58.255 58.000 -0.017 0.000 1.330 750 F CB -0.043 38.992 39.000 0.060 0.000 1.084 750 F HN -0.016 nan 8.300 nan 0.000 0.578 751 S N -1.716 114.119 115.700 0.226 0.000 2.564 751 S HA 0.325 4.788 4.470 -0.013 0.000 0.141 751 S C -2.483 172.145 174.600 0.046 0.000 1.474 751 S CA -1.075 57.205 58.200 0.133 0.000 1.236 751 S CB 1.014 64.275 63.200 0.103 0.000 1.481 751 S HN -0.194 nan 8.310 nan 0.000 0.397 752 P HA -0.130 nan 4.420 nan 0.000 0.213 752 P C 1.277 178.576 177.300 -0.002 0.000 1.170 752 P CA 1.468 64.558 63.100 -0.016 0.000 0.902 752 P CB 0.077 31.748 31.700 -0.050 0.000 0.789 753 K N -0.812 119.585 120.400 -0.005 0.000 2.152 753 K HA -0.122 4.190 4.320 -0.013 0.000 0.206 753 K C 0.666 177.267 176.600 0.002 0.000 1.048 753 K CA 1.137 57.424 56.287 -0.001 0.000 0.933 753 K CB -0.310 32.191 32.500 0.001 0.000 0.721 753 K HN 0.357 nan 8.250 nan 0.000 0.447 754 Q N -0.268 119.531 119.800 -0.003 0.000 2.798 754 Q HA 0.156 4.489 4.340 -0.013 0.000 0.250 754 Q C -2.321 173.672 176.000 -0.012 0.000 1.006 754 Q CA -1.620 54.176 55.803 -0.012 0.000 0.759 754 Q CB 1.594 30.316 28.738 -0.026 0.000 1.201 754 Q HN -0.076 nan 8.270 nan 0.000 0.486 755 P HA -0.226 nan 4.420 nan 0.000 0.218 755 P C 0.574 177.912 177.300 0.063 0.000 1.146 755 P CA 1.384 64.516 63.100 0.052 0.000 0.813 755 P CB 0.229 31.960 31.700 0.052 0.000 0.778 756 D N -1.156 119.264 120.400 0.033 0.000 2.342 756 D HA -0.011 4.622 4.640 -0.013 0.000 0.221 756 D C 1.631 177.932 176.300 0.003 0.000 1.101 756 D CA -0.225 53.802 54.000 0.045 0.000 0.837 756 D CB -0.471 40.355 40.800 0.043 0.000 0.938 756 D HN 0.017 nan 8.370 nan 0.000 0.508 757 L N 0.205 121.368 121.223 -0.101 0.000 2.051 757 L HA -0.106 4.227 4.340 -0.013 0.000 0.214 757 L C 1.034 177.688 176.870 -0.359 0.000 1.076 757 L CA 1.708 56.367 54.840 -0.301 0.000 0.758 757 L CB -0.674 41.026 42.059 -0.599 0.000 0.890 757 L HN -0.012 nan 8.230 nan 0.000 0.433 758 F N -0.599 119.407 119.950 0.093 0.000 2.819 758 F HA 0.159 4.678 4.527 -0.012 0.000 0.294 758 F C 1.728 177.581 175.800 0.089 0.000 1.166 758 F CA -0.217 57.829 58.000 0.077 0.000 1.374 758 F CB -0.305 38.729 39.000 0.056 0.000 0.956 758 F HN 0.109 nan 8.300 nan 0.000 0.509 759 K N -0.771 119.749 120.400 0.200 0.000 2.148 759 K HA -0.134 4.178 4.320 -0.013 0.000 0.204 759 K C 0.985 177.691 176.600 0.177 0.000 1.050 759 K CA 1.684 58.073 56.287 0.169 0.000 0.942 759 K CB -0.149 32.426 32.500 0.125 0.000 0.724 759 K HN 0.046 nan 8.250 nan 0.000 0.446 760 D N 1.320 121.837 120.400 0.196 0.000 2.117 760 D HA -0.081 4.552 4.640 -0.013 0.000 0.198 760 D C 2.006 178.422 176.300 0.193 0.000 0.982 760 D CA 1.115 55.243 54.000 0.213 0.000 0.828 760 D CB -0.121 40.840 40.800 0.268 0.000 0.967 760 D HN 0.276 nan 8.370 nan 0.000 0.464 761 I N 0.433 121.115 120.570 0.186 0.000 2.179 761 I HA -0.221 3.941 4.170 -0.013 0.000 0.242 761 I C 2.448 178.620 176.117 0.092 0.000 1.088 761 I CA 0.602 61.978 61.300 0.128 0.000 1.357 761 I CB -0.167 37.900 38.000 0.111 0.000 1.051 761 I HN -0.123 nan 8.210 nan 0.000 0.409 762 V N 0.873 120.857 119.914 0.117 0.000 2.295 762 V HA -0.328 3.785 4.120 -0.013 0.000 0.246 762 V C 2.162 178.267 176.094 0.019 0.000 1.049 762 V CA 2.521 64.871 62.300 0.084 0.000 1.024 762 V CB -1.029 30.864 31.823 0.118 0.000 0.648 762 V HN 0.499 nan 8.190 nan 0.000 0.447 763 N N -0.384 118.362 118.700 0.076 0.000 2.036 763 N HA -0.264 4.468 4.740 -0.013 0.000 0.195 763 N C 2.006 177.487 175.510 -0.048 0.000 1.037 763 N CA 2.032 55.138 53.050 0.094 0.000 0.855 763 N CB -0.189 38.421 38.487 0.205 0.000 1.033 763 N HN 0.384 nan 8.380 nan 0.000 0.423 764 M N 0.142 119.775 119.600 0.055 0.000 2.086 764 M HA -0.153 4.320 4.480 -0.013 0.000 0.261 764 M C 1.633 177.857 176.300 -0.126 0.000 1.067 764 M CA 1.399 56.742 55.300 0.072 0.000 1.116 764 M CB -0.473 32.243 32.600 0.193 0.000 1.348 764 M HN 0.254 nan 8.290 nan 0.000 0.407 765 L N 0.827 121.957 121.223 -0.154 0.000 2.079 765 L HA -0.223 4.110 4.340 -0.013 0.000 0.210 765 L C 2.424 178.980 176.870 -0.524 0.000 1.081 765 L CA 1.717 56.346 54.840 -0.351 0.000 0.752 765 L CB -1.022 40.864 42.059 -0.289 0.000 0.896 765 L HN 0.401 nan 8.230 nan 0.000 0.433 766 M N -2.208 117.119 119.600 -0.453 0.000 2.334 766 M HA -0.033 4.439 4.480 -0.013 0.000 0.266 766 M C 1.793 177.624 176.300 -0.781 0.000 1.082 766 M CA 1.211 56.144 55.300 -0.611 0.000 1.141 766 M CB -0.672 31.461 32.600 -0.779 0.000 1.380 766 M HN 0.327 nan 8.290 nan 0.000 0.440 767 H N -1.730 117.119 119.070 -0.367 0.000 2.927 767 H HA 0.210 4.759 4.556 -0.012 0.000 0.255 767 H C 0.121 175.191 175.328 -0.429 0.000 0.974 767 H CA 0.618 56.394 56.048 -0.453 0.000 1.199 767 H CB 0.263 29.691 29.762 -0.556 0.000 1.447 767 H HN 0.543 nan 8.280 nan 0.000 0.467 768 H N -0.286 118.842 119.070 0.097 0.000 2.716 768 H HA 0.205 4.753 4.556 -0.013 0.000 0.230 768 H C -0.834 174.511 175.328 0.029 0.000 1.401 768 H CA -0.488 55.603 56.048 0.071 0.000 1.168 768 H CB 0.496 30.304 29.762 0.077 0.000 1.935 768 H HN -0.071 nan 8.280 nan 0.000 0.538 769 D N 1.454 121.890 120.400 0.060 0.000 2.393 769 D HA 0.098 4.730 4.640 -0.013 0.000 0.232 769 D C 0.940 177.173 176.300 -0.112 0.000 1.192 769 D CA -0.202 53.800 54.000 0.002 0.000 0.882 769 D CB 0.597 41.376 40.800 -0.034 0.000 1.038 769 D HN 0.396 nan 8.370 nan 0.000 0.499 770 R N 2.278 122.616 120.500 -0.269 0.000 2.235 770 R HA -0.030 4.303 4.340 -0.013 0.000 0.213 770 R C 0.496 176.243 176.300 -0.921 0.000 1.059 770 R CA 0.770 56.491 56.100 -0.632 0.000 0.997 770 R CB 0.185 29.922 30.300 -0.937 0.000 0.884 770 R HN 0.388 nan 8.270 nan 0.000 0.462 771 F N 1.509 121.416 119.950 -0.072 0.000 2.772 771 F HA 0.201 4.720 4.527 -0.013 0.000 0.302 771 F C -0.027 175.648 175.800 -0.208 0.000 1.136 771 F CA -0.904 57.037 58.000 -0.099 0.000 1.322 771 F CB 0.119 39.118 39.000 -0.002 0.000 0.967 771 F HN -0.192 nan 8.300 nan 0.000 0.513 772 K N -0.717 119.465 120.400 -0.363 0.000 4.489 772 K HA -0.206 4.106 4.320 -0.013 0.000 0.276 772 K C 0.737 177.208 176.600 -0.214 0.000 0.763 772 K CA 0.212 56.116 56.287 -0.640 0.000 0.735 772 K CB -1.757 30.137 32.500 -1.011 0.000 1.902 772 K HN 0.298 nan 8.250 nan 0.000 0.411 773 V N 1.129 120.994 119.914 -0.083 0.000 2.261 773 V HA -0.250 3.863 4.120 -0.013 0.000 0.246 773 V C 2.230 178.446 176.094 0.203 0.000 1.047 773 V CA 2.096 64.424 62.300 0.047 0.000 1.015 773 V CB -0.607 31.238 31.823 0.038 0.000 0.642 773 V HN 0.636 nan 8.190 nan 0.000 0.446 774 F N 0.411 120.362 119.950 0.001 0.000 2.154 774 F HA -0.263 4.256 4.527 -0.013 0.000 0.301 774 F C 2.554 178.153 175.800 -0.335 0.000 1.087 774 F CA 0.792 58.737 58.000 -0.092 0.000 1.274 774 F CB -0.441 38.514 39.000 -0.075 0.000 1.009 774 F HN 0.213 nan 8.300 nan 0.000 0.485 775 A N -0.507 122.152 122.820 -0.267 0.000 2.024 775 A HA -0.220 4.092 4.320 -0.013 0.000 0.220 775 A C 1.466 179.052 177.584 0.003 0.000 1.164 775 A CA 2.070 53.886 52.037 -0.369 0.000 0.643 775 A CB -0.482 18.432 19.000 -0.144 0.000 0.806 775 A HN 0.263 nan 8.150 nan 0.000 0.451 776 D N -3.076 117.386 120.400 0.104 0.000 2.398 776 D HA 0.108 4.740 4.640 -0.013 0.000 0.210 776 D C 1.140 177.609 176.300 0.282 0.000 1.094 776 D CA -0.102 54.033 54.000 0.225 0.000 0.839 776 D CB -0.130 40.816 40.800 0.245 0.000 0.963 776 D HN 0.579 nan 8.370 nan 0.000 0.506 777 Y N 2.201 122.586 120.300 0.141 0.000 2.030 777 Y HA -0.257 4.285 4.550 -0.012 0.000 0.274 777 Y C 2.139 178.126 175.900 0.145 0.000 1.153 777 Y CA 1.964 60.158 58.100 0.156 0.000 1.115 777 Y CB 0.145 38.669 38.460 0.107 0.000 0.969 777 Y HN -0.119 nan 8.280 nan 0.000 0.488 778 E N -0.002 120.282 120.200 0.140 0.000 2.065 778 E HA -0.308 4.035 4.350 -0.013 0.000 0.201 778 E C 2.198 178.773 176.600 -0.041 0.000 1.016 778 E CA 1.854 58.261 56.400 0.012 0.000 0.818 778 E CB -0.287 29.516 29.700 0.171 0.000 0.749 778 E HN 0.633 nan 8.360 nan 0.000 0.453 779 E N -0.529 119.719 120.200 0.081 0.000 2.268 779 E HA -0.184 4.159 4.350 -0.013 0.000 0.195 779 E C 1.812 178.397 176.600 -0.024 0.000 0.995 779 E CA 0.461 56.925 56.400 0.106 0.000 0.836 779 E CB -0.011 29.843 29.700 0.257 0.000 0.763 779 E HN 0.247 nan 8.360 nan 0.000 0.491 780 Y N 0.542 120.632 120.300 -0.349 0.000 2.153 780 Y HA -0.180 4.362 4.550 -0.013 0.000 0.289 780 Y C 2.174 177.677 175.900 -0.661 0.000 1.127 780 Y CA 1.491 59.068 58.100 -0.872 0.000 1.131 780 Y CB -0.604 37.420 38.460 -0.726 0.000 0.995 780 Y HN -0.030 nan 8.280 nan 0.000 0.505 781 V N -0.460 119.082 119.914 -0.619 0.000 2.515 781 V HA -0.136 3.976 4.120 -0.013 0.000 0.250 781 V C 2.180 178.055 176.094 -0.366 0.000 1.058 781 V CA 2.143 64.114 62.300 -0.549 0.000 1.064 781 V CB -0.598 30.981 31.823 -0.406 0.000 0.675 781 V HN 0.208 nan 8.190 nan 0.000 0.461 782 K N 0.051 120.291 120.400 -0.267 0.000 2.026 782 K HA -0.115 4.197 4.320 -0.013 0.000 0.208 782 K C 2.292 178.802 176.600 -0.149 0.000 1.048 782 K CA 2.069 58.268 56.287 -0.147 0.000 0.929 782 K CB -1.345 31.114 32.500 -0.068 0.000 0.713 782 K HN 0.658 nan 8.250 nan 0.000 0.439 783 C N 0.871 120.056 119.300 -0.191 0.000 2.425 783 C HA -0.077 4.376 4.460 -0.013 0.000 0.277 783 C C 2.434 177.252 174.990 -0.286 0.000 1.280 783 C CA 0.679 59.612 59.018 -0.142 0.000 1.744 783 C CB -0.719 26.962 27.740 -0.098 0.000 1.989 783 C HN 0.455 nan 8.230 nan 0.000 0.491 784 Q N 0.352 119.846 119.800 -0.509 0.000 2.170 784 Q HA -0.178 4.155 4.340 -0.013 0.000 0.203 784 Q C 1.957 177.771 176.000 -0.310 0.000 0.976 784 Q CA 1.578 57.041 55.803 -0.566 0.000 0.858 784 Q CB -0.349 27.847 28.738 -0.903 0.000 0.907 784 Q HN 0.755 nan 8.270 nan 0.000 0.433 785 E N 0.142 120.217 120.200 -0.209 0.000 2.106 785 E HA -0.126 4.217 4.350 -0.013 0.000 0.192 785 E C 2.051 178.616 176.600 -0.059 0.000 0.984 785 E CA 0.567 56.902 56.400 -0.108 0.000 0.806 785 E CB 0.070 29.724 29.700 -0.077 0.000 0.750 785 E HN 0.245 nan 8.360 nan 0.000 0.458 786 R N 0.354 120.829 120.500 -0.041 0.000 2.115 786 R HA -0.096 4.237 4.340 -0.013 0.000 0.230 786 R C 2.642 178.987 176.300 0.074 0.000 1.111 786 R CA 1.351 57.498 56.100 0.077 0.000 0.976 786 R CB -0.440 29.974 30.300 0.189 0.000 0.870 786 R HN 0.215 nan 8.270 nan 0.000 0.445 787 V N -1.633 118.139 119.914 -0.235 0.000 2.548 787 V HA -0.091 4.021 4.120 -0.013 0.000 0.249 787 V C 1.927 178.049 176.094 0.045 0.000 1.055 787 V CA 1.751 63.846 62.300 -0.343 0.000 1.065 787 V CB -0.004 31.342 31.823 -0.795 0.000 0.681 787 V HN 0.065 nan 8.190 nan 0.000 0.462 788 S N 0.866 116.536 115.700 -0.051 0.000 2.383 788 S HA 0.009 4.471 4.470 -0.013 0.000 0.227 788 S C 2.268 176.921 174.600 0.087 0.000 1.026 788 S CA 1.575 59.762 58.200 -0.021 0.000 0.981 788 S CB -0.569 62.591 63.200 -0.066 0.000 0.818 788 S HN 0.951 nan 8.310 nan 0.000 0.472 789 A N 1.398 124.280 122.820 0.102 0.000 1.877 789 A HA -0.010 4.303 4.320 -0.013 0.000 0.216 789 A C 2.066 179.765 177.584 0.193 0.000 1.186 789 A CA 1.117 53.233 52.037 0.132 0.000 0.620 789 A CB -0.747 18.324 19.000 0.119 0.000 0.822 789 A HN 0.467 nan 8.150 nan 0.000 0.443 790 L N -1.918 119.487 121.223 0.304 0.000 2.201 790 L HA -0.120 4.212 4.340 -0.013 0.000 0.212 790 L C 2.350 179.521 176.870 0.502 0.000 1.105 790 L CA 1.536 56.638 54.840 0.436 0.000 0.775 790 L CB -0.384 42.041 42.059 0.610 0.000 0.913 790 L HN 0.622 nan 8.230 nan 0.000 0.440 791 Y N 0.751 121.138 120.300 0.146 0.000 2.439 791 Y HA -0.210 4.334 4.550 -0.011 0.000 0.292 791 Y C 2.395 178.194 175.900 -0.169 0.000 1.130 791 Y CA 1.394 59.272 58.100 -0.370 0.000 1.254 791 Y CB 0.024 38.041 38.460 -0.737 0.000 1.000 791 Y HN 0.022 nan 8.280 nan 0.000 0.554 792 K N 0.082 120.495 120.400 0.021 0.000 2.442 792 K HA -0.106 4.207 4.320 -0.013 0.000 0.198 792 K C 0.335 176.912 176.600 -0.038 0.000 1.042 792 K CA 0.607 56.900 56.287 0.008 0.000 0.958 792 K CB -0.054 32.502 32.500 0.093 0.000 0.766 792 K HN 0.041 nan 8.250 nan 0.000 0.474 793 N N 0.356 119.051 118.700 -0.009 0.000 3.012 793 N HA 0.140 4.872 4.740 -0.013 0.000 0.270 793 N C -2.435 173.080 175.510 0.008 0.000 1.469 793 N CA -2.227 50.831 53.050 0.013 0.000 0.928 793 N CB 0.989 39.521 38.487 0.075 0.000 1.219 793 N HN -0.178 nan 8.380 nan 0.000 0.492 794 P HA -0.242 nan 4.420 nan 0.000 0.219 794 P C 1.386 178.701 177.300 0.025 0.000 1.158 794 P CA 1.370 64.402 63.100 -0.113 0.000 0.895 794 P CB 0.332 31.938 31.700 -0.156 0.000 0.792 795 R N -0.411 120.103 120.500 0.023 0.000 2.096 795 R HA -0.151 4.181 4.340 -0.013 0.000 0.235 795 R C 1.952 178.296 176.300 0.074 0.000 1.127 795 R CA 1.336 57.461 56.100 0.043 0.000 0.968 795 R CB -0.253 30.062 30.300 0.026 0.000 0.861 795 R HN 0.123 nan 8.270 nan 0.000 0.440 796 E N -0.353 119.904 120.200 0.094 0.000 2.170 796 E HA -0.186 4.157 4.350 -0.013 0.000 0.191 796 E C 1.534 178.216 176.600 0.136 0.000 0.981 796 E CA 0.469 56.928 56.400 0.098 0.000 0.830 796 E CB -0.348 29.408 29.700 0.094 0.000 0.775 796 E HN 0.488 nan 8.360 nan 0.000 0.470 797 W N 2.151 123.454 121.300 0.005 0.000 2.354 797 W HA -0.167 4.485 4.660 -0.014 0.000 0.315 797 W C 1.541 178.074 176.519 0.023 0.000 1.206 797 W CA 2.040 59.404 57.345 0.033 0.000 1.290 797 W CB -0.332 29.122 29.460 -0.011 0.000 1.152 797 W HN 0.026 nan 8.180 nan 0.000 0.489 798 T N 1.098 115.795 114.554 0.238 0.000 2.833 798 T HA -0.166 4.176 4.350 -0.013 0.000 0.269 798 T C 1.817 176.540 174.700 0.039 0.000 1.054 798 T CA 1.485 63.658 62.100 0.122 0.000 1.135 798 T CB -0.271 68.650 68.868 0.089 0.000 0.869 798 T HN 0.180 nan 8.240 nan 0.000 0.466 799 R N 0.249 120.773 120.500 0.040 0.000 2.090 799 R HA 0.184 4.516 4.340 -0.013 0.000 0.228 799 R C 2.475 178.769 176.300 -0.010 0.000 1.110 799 R CA 0.918 57.037 56.100 0.033 0.000 0.973 799 R CB -0.279 30.044 30.300 0.039 0.000 0.869 799 R HN 0.355 nan 8.270 nan 0.000 0.440 800 M N 0.458 120.014 119.600 -0.072 0.000 2.175 800 M HA -0.132 4.341 4.480 -0.013 0.000 0.264 800 M C 1.901 178.113 176.300 -0.146 0.000 1.063 800 M CA 1.292 56.509 55.300 -0.139 0.000 1.119 800 M CB 0.202 32.652 32.600 -0.251 0.000 1.377 800 M HN -0.027 nan 8.290 nan 0.000 0.415 801 V N 0.861 120.677 119.914 -0.163 0.000 2.255 801 V HA -0.317 3.795 4.120 -0.013 0.000 0.247 801 V C 2.186 178.269 176.094 -0.017 0.000 1.051 801 V CA 2.093 64.329 62.300 -0.107 0.000 1.018 801 V CB -0.587 31.205 31.823 -0.052 0.000 0.641 801 V HN 0.501 nan 8.190 nan 0.000 0.445 802 I N -0.577 120.006 120.570 0.021 0.000 2.335 802 I HA -0.286 3.876 4.170 -0.013 0.000 0.251 802 I C 2.655 178.819 176.117 0.079 0.000 1.129 802 I CA 1.489 62.844 61.300 0.092 0.000 1.402 802 I CB -0.307 37.792 38.000 0.164 0.000 1.069 802 I HN 0.182 nan 8.210 nan 0.000 0.424 803 R N 0.744 121.267 120.500 0.038 0.000 2.148 803 R HA -0.059 4.273 4.340 -0.013 0.000 0.223 803 R C 2.015 178.346 176.300 0.051 0.000 1.088 803 R CA 1.102 57.223 56.100 0.035 0.000 0.985 803 R CB -0.201 30.103 30.300 0.006 0.000 0.880 803 R HN 0.431 nan 8.270 nan 0.000 0.451 804 N N -0.259 118.467 118.700 0.042 0.000 2.132 804 N HA -0.068 4.664 4.740 -0.013 0.000 0.187 804 N C 1.785 177.354 175.510 0.099 0.000 1.038 804 N CA 1.371 54.469 53.050 0.080 0.000 0.846 804 N CB -0.019 38.486 38.487 0.030 0.000 1.012 804 N HN 0.123 nan 8.380 nan 0.000 0.429 805 I N 1.815 122.432 120.570 0.078 0.000 2.151 805 I HA -0.269 3.893 4.170 -0.013 0.000 0.243 805 I C 2.387 178.553 176.117 0.081 0.000 1.080 805 I CA 1.149 62.499 61.300 0.083 0.000 1.339 805 I CB -0.317 37.726 38.000 0.072 0.000 1.039 805 I HN 0.101 nan 8.210 nan 0.000 0.409 806 A N -1.199 121.667 122.820 0.077 0.000 2.125 806 A HA -0.176 4.137 4.320 -0.013 0.000 0.219 806 A C 2.194 179.810 177.584 0.054 0.000 1.156 806 A CA 2.069 54.140 52.037 0.058 0.000 0.671 806 A CB -0.569 18.469 19.000 0.064 0.000 0.794 806 A HN 0.400 nan 8.150 nan 0.000 0.459 807 T N -0.975 113.625 114.554 0.077 0.000 3.129 807 T HA 0.136 4.479 4.350 -0.013 0.000 0.267 807 T C 1.448 176.222 174.700 0.123 0.000 1.018 807 T CA 0.690 62.837 62.100 0.078 0.000 0.903 807 T CB -0.383 68.534 68.868 0.080 0.000 1.067 807 T HN 0.607 nan 8.240 nan 0.000 0.549 808 S N -0.881 114.913 115.700 0.157 0.000 2.558 808 S HA 0.188 4.651 4.470 -0.013 0.000 0.217 808 S C 2.303 177.002 174.600 0.165 0.000 0.975 808 S CA 0.497 58.859 58.200 0.270 0.000 0.912 808 S CB -0.287 63.071 63.200 0.264 0.000 0.776 808 S HN 0.428 nan 8.310 nan 0.000 0.526 809 G N 2.952 111.788 108.800 0.060 0.000 2.547 809 G HA2 -0.348 3.604 3.960 -0.013 0.000 0.221 809 G HA3 -0.348 3.604 3.960 -0.013 0.000 0.221 809 G C 1.334 176.185 174.900 -0.081 0.000 1.140 809 G CA 1.198 46.307 45.100 0.015 0.000 0.760 809 G HN 0.578 nan 8.290 nan 0.000 0.583 810 K N -0.027 120.210 120.400 -0.272 0.000 2.281 810 K HA -0.038 4.275 4.320 -0.013 0.000 0.203 810 K C 1.178 177.462 176.600 -0.528 0.000 1.046 810 K CA 0.642 56.644 56.287 -0.475 0.000 0.938 810 K CB -0.271 31.789 32.500 -0.733 0.000 0.737 810 K HN 0.448 nan 8.250 nan 0.000 0.458 811 F N 0.996 120.978 119.950 0.054 0.000 2.663 811 F HA 0.094 4.613 4.527 -0.013 0.000 0.299 811 F C 0.839 176.688 175.800 0.081 0.000 1.143 811 F CA -0.635 57.404 58.000 0.064 0.000 1.387 811 F CB 0.433 39.468 39.000 0.058 0.000 1.019 811 F HN -0.113 nan 8.300 nan 0.000 0.523 812 S N 0.047 115.840 115.700 0.155 0.000 2.562 812 S HA 0.116 4.578 4.470 -0.013 0.000 0.275 812 S C 1.340 176.031 174.600 0.151 0.000 1.281 812 S CA -0.356 57.932 58.200 0.146 0.000 1.045 812 S CB 1.121 64.377 63.200 0.093 0.000 0.962 812 S HN 0.283 nan 8.310 nan 0.000 0.503 813 S N 3.011 118.823 115.700 0.186 0.000 2.507 813 S HA -0.069 4.393 4.470 -0.013 0.000 0.235 813 S C 0.860 175.527 174.600 0.111 0.000 0.988 813 S CA 0.642 58.974 58.200 0.221 0.000 0.944 813 S CB -0.376 63.020 63.200 0.327 0.000 0.762 813 S HN 0.794 nan 8.310 nan 0.000 0.526 814 D N 1.778 122.224 120.400 0.077 0.000 2.144 814 D HA -0.049 4.583 4.640 -0.013 0.000 0.200 814 D C 2.091 178.404 176.300 0.021 0.000 0.978 814 D CA 0.660 54.682 54.000 0.038 0.000 0.833 814 D CB -0.282 40.536 40.800 0.030 0.000 0.961 814 D HN 0.277 nan 8.370 nan 0.000 0.470 815 R N 0.773 121.289 120.500 0.026 0.000 2.066 815 R HA -0.088 4.245 4.340 -0.013 0.000 0.232 815 R C 1.888 178.190 176.300 0.002 0.000 1.131 815 R CA 1.401 57.502 56.100 0.002 0.000 0.955 815 R CB -0.682 29.610 30.300 -0.015 0.000 0.851 815 R HN 0.120 nan 8.270 nan 0.000 0.432 816 T N 2.253 116.834 114.554 0.045 0.000 2.652 816 T HA -0.139 4.203 4.350 -0.013 0.000 0.267 816 T C 1.945 176.667 174.700 0.037 0.000 1.039 816 T CA 1.452 63.598 62.100 0.077 0.000 1.153 816 T CB -0.161 68.834 68.868 0.212 0.000 0.863 816 T HN 0.106 nan 8.240 nan 0.000 0.428 817 I N 1.812 122.331 120.570 -0.085 0.000 2.286 817 I HA -0.101 4.062 4.170 -0.013 0.000 0.248 817 I C 2.933 179.021 176.117 -0.049 0.000 1.115 817 I CA 0.969 62.180 61.300 -0.148 0.000 1.392 817 I CB -1.713 36.203 38.000 -0.141 0.000 1.065 817 I HN 0.205 nan 8.210 nan 0.000 0.418 818 A N 0.036 122.841 122.820 -0.025 0.000 1.940 818 A HA -0.238 4.074 4.320 -0.013 0.000 0.219 818 A C 2.276 179.827 177.584 -0.055 0.000 1.176 818 A CA 1.468 53.495 52.037 -0.016 0.000 0.631 818 A CB -0.563 18.431 19.000 -0.010 0.000 0.814 818 A HN 0.506 nan 8.150 nan 0.000 0.446 819 Q N -2.003 117.743 119.800 -0.089 0.000 2.083 819 Q HA -0.145 4.187 4.340 -0.013 0.000 0.198 819 Q C 1.906 177.744 176.000 -0.271 0.000 0.969 819 Q CA 1.523 57.230 55.803 -0.160 0.000 0.838 819 Q CB -0.247 28.381 28.738 -0.183 0.000 0.900 819 Q HN 0.822 nan 8.270 nan 0.000 0.436 820 Y N 0.441 120.468 120.300 -0.455 0.000 2.114 820 Y HA -0.283 4.259 4.550 -0.013 0.000 0.284 820 Y C 2.443 177.829 175.900 -0.856 0.000 1.143 820 Y CA 1.303 58.895 58.100 -0.846 0.000 1.135 820 Y CB -0.493 37.154 38.460 -1.355 0.000 0.980 820 Y HN 0.155 nan 8.280 nan 0.000 0.499 821 A N 0.444 123.072 122.820 -0.321 0.000 1.873 821 A HA -0.278 4.035 4.320 -0.013 0.000 0.218 821 A C 2.259 179.866 177.584 0.038 0.000 1.193 821 A CA 2.390 54.469 52.037 0.070 0.000 0.629 821 A CB -0.651 18.445 19.000 0.161 0.000 0.826 821 A HN 0.458 nan 8.150 nan 0.000 0.447 822 R N -0.679 119.802 120.500 -0.031 0.000 2.062 822 R HA -0.039 4.293 4.340 -0.013 0.000 0.226 822 R C 1.905 178.184 176.300 -0.035 0.000 1.125 822 R CA 1.460 57.550 56.100 -0.016 0.000 0.966 822 R CB -0.305 29.980 30.300 -0.025 0.000 0.861 822 R HN 0.670 nan 8.270 nan 0.000 0.433 823 E N -0.178 119.963 120.200 -0.098 0.000 2.478 823 E HA 0.056 4.399 4.350 -0.013 0.000 0.194 823 E C 1.377 177.930 176.600 -0.078 0.000 1.045 823 E CA 0.541 56.886 56.400 -0.091 0.000 0.868 823 E CB 0.427 30.047 29.700 -0.132 0.000 0.885 823 E HN 0.380 nan 8.360 nan 0.000 0.505 824 I N -1.592 118.906 120.570 -0.119 0.000 3.990 824 I HA 0.028 4.190 4.170 -0.013 0.000 0.275 824 I C 1.280 177.520 176.117 0.206 0.000 1.157 824 I CA -0.110 61.173 61.300 -0.028 0.000 1.338 824 I CB 0.125 37.958 38.000 -0.277 0.000 1.588 824 I HN 0.106 nan 8.210 nan 0.000 0.441 825 W N 1.850 123.241 121.300 0.151 0.000 2.576 825 W HA 0.287 4.940 4.660 -0.013 0.000 0.270 825 W C 1.550 178.104 176.519 0.059 0.000 1.255 825 W CA 1.028 58.443 57.345 0.116 0.000 1.314 825 W CB -0.975 28.541 29.460 0.092 0.000 1.101 825 W HN 0.351 nan 8.180 nan 0.000 0.595 826 G N 0.901 109.838 108.800 0.229 0.000 2.212 826 G HA2 -0.100 3.853 3.960 -0.013 0.000 0.255 826 G HA3 -0.100 3.853 3.960 -0.013 0.000 0.255 826 G C -0.312 174.662 174.900 0.124 0.000 1.062 826 G CA 0.184 45.362 45.100 0.130 0.000 0.815 826 G HN 0.416 nan 8.290 nan 0.000 0.497 827 V N -4.430 115.576 119.914 0.153 0.000 3.040 827 V HA 0.936 5.048 4.120 -0.013 0.000 0.312 827 V C -0.445 175.707 176.094 0.097 0.000 1.115 827 V CA -1.641 60.730 62.300 0.117 0.000 0.998 827 V CB 2.364 34.267 31.823 0.133 0.000 1.042 827 V HN 0.119 nan 8.190 nan 0.000 0.433 828 E N 3.325 123.566 120.200 0.069 0.000 2.133 828 E HA 0.525 4.868 4.350 -0.013 0.000 0.274 828 E C -2.522 174.112 176.600 0.055 0.000 0.930 828 E CA -1.742 54.691 56.400 0.055 0.000 0.770 828 E CB 1.864 31.588 29.700 0.041 0.000 1.104 828 E HN 0.754 nan 8.360 nan 0.000 0.403 829 P HA 0.053 nan 4.420 nan 0.000 0.271 829 P C -0.467 176.858 177.300 0.042 0.000 1.233 829 P CA -0.233 62.897 63.100 0.051 0.000 0.789 829 P CB 0.752 32.479 31.700 0.044 0.000 0.951 830 S N 0.533 116.258 115.700 0.041 0.000 2.603 830 S HA 0.315 4.777 4.470 -0.013 0.000 0.274 830 S C -0.063 174.557 174.600 0.033 0.000 1.168 830 S CA -0.873 57.350 58.200 0.037 0.000 0.963 830 S CB 1.038 64.264 63.200 0.043 0.000 1.078 830 S HN 0.299 nan 8.310 nan 0.000 0.477 831 R N 2.836 123.353 120.500 0.028 0.000 2.978 831 R HA 0.213 4.545 4.340 -0.013 0.000 0.298 831 R C -0.205 176.105 176.300 0.016 0.000 1.296 831 R CA -0.093 56.023 56.100 0.026 0.000 1.181 831 R CB 0.181 30.498 30.300 0.030 0.000 1.348 831 R HN 0.657 nan 8.270 nan 0.000 0.585 832 Q N 0.957 120.765 119.800 0.013 0.000 2.274 832 Q HA 0.207 4.539 4.340 -0.013 0.000 0.256 832 Q C -0.399 175.592 176.000 -0.016 0.000 0.927 832 Q CA -0.489 55.316 55.803 0.003 0.000 0.939 832 Q CB 1.402 30.146 28.738 0.010 0.000 1.201 832 Q HN -0.102 nan 8.270 nan 0.000 0.426 833 R N 1.751 122.236 120.500 -0.025 0.000 2.484 833 R HA 0.043 4.375 4.340 -0.013 0.000 0.293 833 R C -0.531 175.734 176.300 -0.059 0.000 1.023 833 R CA -0.146 55.928 56.100 -0.044 0.000 1.037 833 R CB 0.087 30.361 30.300 -0.043 0.000 0.951 833 R HN 0.417 nan 8.270 nan 0.000 0.418 834 L N 6.659 127.831 121.223 -0.085 0.000 2.461 834 L HA 0.195 4.527 4.340 -0.013 0.000 0.272 834 L C -1.666 175.149 176.870 -0.091 0.000 1.197 834 L CA -1.800 52.961 54.840 -0.132 0.000 0.836 834 L CB 0.484 42.438 42.059 -0.175 0.000 1.105 834 L HN 0.612 nan 8.230 nan 0.000 0.477 835 P HA 0.024 nan 4.420 nan 0.000 0.208 835 P C 0.016 177.297 177.300 -0.032 0.000 1.341 835 P CA 0.694 63.769 63.100 -0.041 0.000 1.235 835 P CB -0.673 31.015 31.700 -0.020 0.000 1.764 836 A N 4.672 127.472 122.820 -0.032 0.000 6.759 836 A HA -0.175 4.137 4.320 -0.013 0.000 0.308 836 A C -1.389 176.186 177.584 -0.015 0.000 2.086 836 A CA 0.477 52.502 52.037 -0.021 0.000 1.123 836 A CB -1.901 17.093 19.000 -0.010 0.000 1.078 836 A HN 0.373 nan 8.150 nan 0.000 0.457 837 P HA 0.180 nan 4.420 nan 0.000 0.252 837 P C 0.098 177.408 177.300 0.016 0.000 1.211 837 P CA 0.558 63.666 63.100 0.013 0.000 0.824 837 P CB -0.353 31.366 31.700 0.031 0.000 1.077 838 D N 1.902 122.310 120.400 0.013 0.000 5.561 838 D HA -0.190 4.443 4.640 -0.013 0.000 0.166 838 D C 1.462 177.769 176.300 0.011 0.000 1.127 838 D CA 0.778 54.785 54.000 0.013 0.000 0.720 838 D CB 0.170 40.975 40.800 0.009 0.000 1.322 838 D HN 0.090 nan 8.370 nan 0.000 0.745 839 E N 2.974 123.180 120.200 0.010 0.000 2.965 839 E HA -0.448 3.895 4.350 -0.013 0.000 0.215 839 E C 0.151 176.755 176.600 0.006 0.000 0.862 839 E CA 2.757 59.160 56.400 0.006 0.000 1.372 839 E CB -0.267 29.435 29.700 0.003 0.000 1.425 839 E HN 0.894 nan 8.360 nan 0.000 0.458 840 K N -0.584 119.818 120.400 0.004 0.000 7.396 840 K HA -0.163 4.149 4.320 -0.013 0.000 0.647 840 K C -0.587 176.014 176.600 0.001 0.000 2.584 840 K CA 1.255 57.544 56.287 0.004 0.000 1.938 840 K CB -0.637 31.868 32.500 0.009 0.000 1.962 840 K HN 0.334 nan 8.250 nan 0.000 0.295 841 I N 3.312 123.882 120.570 -0.001 0.000 2.642 841 I HA 0.295 4.457 4.170 -0.013 0.000 0.273 841 I C -1.967 174.148 176.117 -0.004 0.000 1.208 841 I CA -1.591 59.707 61.300 -0.005 0.000 1.037 841 I CB 0.389 38.384 38.000 -0.009 0.000 1.253 841 I HN 0.933 nan 8.210 nan 0.000 0.504 842 P HA 0.000 nan 4.420 nan 0.000 0.216 842 P CA 0.000 63.101 63.100 0.001 0.000 0.800 842 P CB 0.000 31.704 31.700 0.007 0.000 0.726