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 2gif_1_C DATA FIRST_RESID 2 DATA SEQUENCE PNFFIDRPIF AWVIAIIIML AGGLAILKLP VAQYPTIAPP AVTISASYPG DATA SEQUENCE ADAKTVQDTV TQVIEQNMNG IDNLMYMSSN SDSTGTVQIT LTFESGTDAD DATA SEQUENCE IAQVQVQNKL QLAMPLLPQE VQQQGVSVEK SSSSFLMVVG VINTDGTMTQ DATA SEQUENCE EDISDYVAAN MKDAISRTSG VGDVQLFGSQ YAMRIWMNPN ELNKFQLTPV DATA SEQUENCE DVITAIKAQN AQVAAGQLGG TPPVKGQQLN ASIIAQTRLT STEEFGKILL DATA SEQUENCE KVNQDGSRVL LRDVAKIELG GENYDIIAEF NGQPASGLGI KLATGANALD DATA SEQUENCE TAAAIRAELA KMEPFFPSGL KIVYPYDTTP FVKISIHEVV KTLVEAIILV DATA SEQUENCE FLVMYLFLQN FRATLIPTIA VPVVLLGTFA VLAAFGFSIN TLTMFGMVLA DATA SEQUENCE IGLLVDDAIV VVENVERVMA EEGLPPKEAT RKSMGQIQGA LVGIAMVLSA DATA SEQUENCE VFVPMAFFGG STGAIYRQFS ITIVSAMALS VLVALILTPA LCATMLKPIA DATA SEQUENCE KGDHGEGKKG FFGWFNRMFE KSTHHYTDSV GGILRSTGRY LVLYLIIVVG DATA SEQUENCE MAYLFVRLPS SFLPDEDQGV FMTMVQLPAG ATQERTQKVL NEVTHYYLTK DATA SEQUENCE EKNNVESVFA VNGFGFAGRG QNTGIAFVSL KDWADRPGEE NKVEAITMRA DATA SEQUENCE TRAFSQIKDA MVFAFNLPAI VELGTATGFD FELIDQAGLG HEKLTQARNQ DATA SEQUENCE LLAEAAKHPD MLTSVRPNGL EDTPQFKIDI DQEKAQALGV SINDINTTLG DATA SEQUENCE AAWGGSYVND FIDRGRVKKV YVMSEAKYRM LPDDIGDWYV RAADGQMVPF DATA SEQUENCE SAFSSSRWEY GSPRLERYNG LPSMEILGQA APGKSTGEAM ELMEQLASKL DATA SEQUENCE PTGVGYDWTG MSYQERLSGN QAPSLYAISL IVVFLCLAAL YESWSIPFSV DATA SEQUENCE MLVVPLGVIG ALLAATFRGL TNDVYFQVGL LTTIGLSAKN AILIVEFAKD DATA SEQUENCE LMDKEGKGLI EATLDAVRMR LRPILMTSLA FILGVMPLVI STGAGSGAQN DATA SEQUENCE AVGTGVMGGM VTATVLAIFF VPVFFVVVRR RF 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 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.394 177.300 0.157 0.000 1.155 2 P CA 0.000 63.161 63.100 0.102 0.000 0.800 2 P CB 0.000 31.717 31.700 0.029 0.000 0.726 3 N N -0.624 118.195 118.700 0.198 0.000 2.463 3 N HA 0.100 4.838 4.740 -0.003 0.000 0.183 3 N C 1.256 176.771 175.510 0.009 0.000 1.064 3 N CA 0.450 53.533 53.050 0.056 0.000 0.879 3 N CB -0.207 38.233 38.487 -0.077 0.000 1.148 3 N HN 0.093 nan 8.380 nan 0.000 0.451 4 F N 0.928 120.907 119.950 0.048 0.000 2.293 4 F HA 0.036 4.561 4.527 -0.003 0.000 0.300 4 F C 2.117 177.945 175.800 0.048 0.000 1.086 4 F CA 0.410 58.432 58.000 0.036 0.000 1.375 4 F CB -0.603 38.418 39.000 0.035 0.000 1.045 4 F HN -0.055 nan 8.300 nan 0.000 0.516 5 F N 1.396 121.425 119.950 0.132 0.000 2.075 5 F HA -0.081 4.444 4.527 -0.003 0.000 0.297 5 F C 1.685 177.466 175.800 -0.031 0.000 1.113 5 F CA 1.369 59.382 58.000 0.021 0.000 1.218 5 F CB -0.389 38.591 39.000 -0.033 0.000 0.984 5 F HN -0.189 nan 8.300 nan 0.000 0.472 6 I N 1.246 121.791 120.570 -0.043 0.000 3.648 6 I HA -0.001 4.167 4.170 -0.003 0.000 0.305 6 I C -0.025 176.016 176.117 -0.128 0.000 1.345 6 I CA 0.350 61.552 61.300 -0.163 0.000 1.325 6 I CB -1.136 36.865 38.000 0.002 0.000 1.188 6 I HN 0.105 nan 8.210 nan 0.000 0.460 7 D N 2.013 122.327 120.400 -0.143 0.000 2.370 7 D HA 0.084 4.722 4.640 -0.003 0.000 0.230 7 D C 0.598 176.833 176.300 -0.109 0.000 1.143 7 D CA 0.212 54.151 54.000 -0.102 0.000 0.834 7 D CB 0.170 40.928 40.800 -0.069 0.000 0.944 7 D HN 0.328 nan 8.370 nan 0.000 0.504 8 R N 1.339 121.734 120.500 -0.175 0.000 2.287 8 R HA 0.180 4.518 4.340 -0.003 0.000 0.327 8 R C -1.470 174.831 176.300 0.001 0.000 1.109 8 R CA -1.191 54.841 56.100 -0.113 0.000 1.013 8 R CB 1.184 31.348 30.300 -0.227 0.000 1.126 8 R HN -0.024 nan 8.270 nan 0.000 0.503 9 P HA -0.112 nan 4.420 nan 0.000 0.221 9 P C 0.891 178.337 177.300 0.243 0.000 1.150 9 P CA 1.058 64.229 63.100 0.117 0.000 0.800 9 P CB 0.314 32.100 31.700 0.144 0.000 0.787 10 I N -1.743 118.956 120.570 0.215 0.000 2.406 10 I HA -0.146 4.022 4.170 -0.003 0.000 0.249 10 I C 2.459 178.710 176.117 0.224 0.000 1.122 10 I CA 1.019 62.455 61.300 0.228 0.000 1.431 10 I CB -0.598 37.476 38.000 0.124 0.000 1.087 10 I HN -0.207 nan 8.210 nan 0.000 0.424 11 F N 1.313 121.305 119.950 0.071 0.000 2.171 11 F HA -0.261 4.264 4.527 -0.003 0.000 0.300 11 F C 2.530 178.371 175.800 0.068 0.000 1.090 11 F CA 1.263 59.302 58.000 0.065 0.000 1.293 11 F CB -0.051 38.967 39.000 0.029 0.000 1.013 11 F HN 0.027 nan 8.300 nan 0.000 0.486 12 A N -0.299 122.691 122.820 0.283 0.000 1.865 12 A HA -0.269 4.049 4.320 -0.003 0.000 0.217 12 A C 1.987 179.590 177.584 0.033 0.000 1.191 12 A CA 1.814 53.908 52.037 0.096 0.000 0.623 12 A CB -1.611 17.346 19.000 -0.071 0.000 0.826 12 A HN 0.640 nan 8.150 nan 0.000 0.444 13 W N -0.460 120.883 121.300 0.072 0.000 2.363 13 W HA -0.105 4.553 4.660 -0.003 0.000 0.296 13 W C 2.329 178.860 176.519 0.020 0.000 1.212 13 W CA 1.188 58.556 57.345 0.039 0.000 1.260 13 W CB -0.338 29.135 29.460 0.022 0.000 1.131 13 W HN 0.142 nan 8.180 nan 0.000 0.530 14 V N 0.649 120.697 119.914 0.222 0.000 2.287 14 V HA -0.336 3.782 4.120 -0.003 0.000 0.248 14 V C 1.923 178.057 176.094 0.066 0.000 1.053 14 V CA 1.826 64.168 62.300 0.070 0.000 1.027 14 V CB -0.814 30.939 31.823 -0.116 0.000 0.646 14 V HN 0.159 nan 8.190 nan 0.000 0.447 15 I N 0.143 120.771 120.570 0.097 0.000 2.127 15 I HA -0.285 3.883 4.170 -0.003 0.000 0.241 15 I C 2.679 178.850 176.117 0.090 0.000 1.075 15 I CA 1.618 62.984 61.300 0.110 0.000 1.334 15 I CB -0.663 37.437 38.000 0.165 0.000 1.040 15 I HN 0.304 nan 8.210 nan 0.000 0.405 16 A N 1.201 124.071 122.820 0.085 0.000 1.859 16 A HA -0.234 4.084 4.320 -0.003 0.000 0.217 16 A C 2.288 179.949 177.584 0.128 0.000 1.198 16 A CA 1.972 54.057 52.037 0.081 0.000 0.629 16 A CB -1.072 17.947 19.000 0.032 0.000 0.830 16 A HN 0.385 nan 8.150 nan 0.000 0.446 17 I N -0.376 120.302 120.570 0.180 0.000 2.163 17 I HA -0.294 3.874 4.170 -0.003 0.000 0.243 17 I C 2.393 178.563 176.117 0.089 0.000 1.085 17 I CA 1.573 62.961 61.300 0.146 0.000 1.347 17 I CB -0.393 37.691 38.000 0.140 0.000 1.044 17 I HN 0.337 nan 8.210 nan 0.000 0.408 18 I N 0.570 121.184 120.570 0.072 0.000 2.151 18 I HA -0.340 3.828 4.170 -0.003 0.000 0.243 18 I C 2.512 178.665 176.117 0.060 0.000 1.080 18 I CA 1.783 63.114 61.300 0.052 0.000 1.339 18 I CB -0.291 37.732 38.000 0.039 0.000 1.039 18 I HN 0.179 nan 8.210 nan 0.000 0.409 19 I N -0.080 120.532 120.570 0.069 0.000 2.163 19 I HA -0.353 3.815 4.170 -0.003 0.000 0.243 19 I C 2.631 178.794 176.117 0.076 0.000 1.085 19 I CA 1.626 62.968 61.300 0.071 0.000 1.347 19 I CB -0.234 37.807 38.000 0.068 0.000 1.044 19 I HN 0.245 nan 8.210 nan 0.000 0.408 20 M N -0.236 119.413 119.600 0.081 0.000 2.117 20 M HA -0.233 4.245 4.480 -0.003 0.000 0.262 20 M C 2.416 178.755 176.300 0.065 0.000 1.065 20 M CA 1.778 57.128 55.300 0.083 0.000 1.114 20 M CB -0.289 32.367 32.600 0.095 0.000 1.361 20 M HN 0.288 nan 8.290 nan 0.000 0.408 21 L N 0.070 121.326 121.223 0.055 0.000 2.141 21 L HA -0.112 4.225 4.340 -0.003 0.000 0.209 21 L C 2.536 179.427 176.870 0.035 0.000 1.094 21 L CA 1.245 56.107 54.840 0.037 0.000 0.763 21 L CB -0.320 41.758 42.059 0.031 0.000 0.908 21 L HN 0.220 nan 8.230 nan 0.000 0.437 22 A N -0.370 122.479 122.820 0.047 0.000 1.902 22 A HA -0.104 4.214 4.320 -0.003 0.000 0.217 22 A C 2.269 179.889 177.584 0.059 0.000 1.181 22 A CA 1.512 53.580 52.037 0.051 0.000 0.623 22 A CB -1.332 17.704 19.000 0.061 0.000 0.818 22 A HN 0.511 nan 8.150 nan 0.000 0.443 23 G N -0.842 108.004 108.800 0.077 0.000 2.421 23 G HA2 0.135 4.093 3.960 -0.003 0.000 0.217 23 G HA3 0.135 4.093 3.960 -0.003 0.000 0.217 23 G C 1.461 176.370 174.900 0.015 0.000 1.143 23 G CA 1.149 46.310 45.100 0.102 0.000 0.784 23 G HN 0.662 nan 8.290 nan 0.000 0.541 24 G N 1.155 109.954 108.800 -0.001 0.000 2.433 24 G HA2 -0.130 3.828 3.960 -0.003 0.000 0.216 24 G HA3 -0.130 3.828 3.960 -0.003 0.000 0.216 24 G C 1.664 176.531 174.900 -0.055 0.000 1.186 24 G CA 0.847 45.919 45.100 -0.047 0.000 0.779 24 G HN 0.286 nan 8.290 nan 0.000 0.543 25 L N 1.540 122.750 121.223 -0.022 0.000 2.079 25 L HA 0.015 4.353 4.340 -0.003 0.000 0.210 25 L C 3.252 180.109 176.870 -0.021 0.000 1.081 25 L CA 1.551 56.380 54.840 -0.018 0.000 0.752 25 L CB -1.052 41.006 42.059 -0.000 0.000 0.896 25 L HN 0.306 nan 8.230 nan 0.000 0.433 26 A N 0.409 123.224 122.820 -0.008 0.000 1.858 26 A HA -0.204 4.114 4.320 -0.003 0.000 0.216 26 A C 2.187 179.738 177.584 -0.055 0.000 1.190 26 A CA 1.933 53.975 52.037 0.008 0.000 0.617 26 A CB -0.941 18.105 19.000 0.077 0.000 0.827 26 A HN 0.505 nan 8.150 nan 0.000 0.443 27 I N -2.610 117.856 120.570 -0.175 0.000 2.567 27 I HA -0.115 4.053 4.170 -0.003 0.000 0.257 27 I C 1.785 177.796 176.117 -0.176 0.000 1.184 27 I CA 1.149 62.261 61.300 -0.312 0.000 1.451 27 I CB -0.304 37.328 38.000 -0.614 0.000 1.089 27 I HN 0.194 nan 8.210 nan 0.000 0.441 28 L N 0.529 121.683 121.223 -0.115 0.000 2.240 28 L HA 0.072 4.410 4.340 -0.003 0.000 0.211 28 L C 1.118 177.957 176.870 -0.051 0.000 1.106 28 L CA 1.562 56.355 54.840 -0.078 0.000 0.793 28 L CB -0.449 41.575 42.059 -0.058 0.000 0.927 28 L HN 0.412 nan 8.230 nan 0.000 0.446 29 K N -0.345 120.032 120.400 -0.038 0.000 3.123 29 K HA 0.243 4.561 4.320 -0.003 0.000 0.209 29 K C -1.050 175.548 176.600 -0.003 0.000 1.132 29 K CA -0.215 56.061 56.287 -0.017 0.000 0.992 29 K CB 0.753 33.248 32.500 -0.009 0.000 0.773 29 K HN -0.088 nan 8.250 nan 0.000 0.458 30 L N 1.238 122.456 121.223 -0.008 0.000 2.356 30 L HA 0.517 4.855 4.340 -0.003 0.000 0.277 30 L C -2.563 174.317 176.870 0.017 0.000 0.996 30 L CA -2.210 52.643 54.840 0.020 0.000 0.822 30 L CB 1.026 43.106 42.059 0.035 0.000 1.256 30 L HN -0.007 nan 8.230 nan 0.000 0.413 31 P HA 0.141 nan 4.420 nan 0.000 0.267 31 P C -1.376 175.939 177.300 0.024 0.000 1.195 31 P CA -0.048 63.067 63.100 0.025 0.000 0.773 31 P CB 0.443 32.164 31.700 0.034 0.000 0.837 32 V N 0.949 120.869 119.914 0.010 0.000 2.577 32 V HA 0.785 4.903 4.120 -0.003 0.000 0.303 32 V C -0.063 176.026 176.094 -0.008 0.000 1.042 32 V CA -0.568 61.730 62.300 -0.003 0.000 0.872 32 V CB 1.418 33.228 31.823 -0.022 0.000 0.998 32 V HN 0.805 nan 8.190 nan 0.000 0.423 33 A N 2.758 125.568 122.820 -0.016 0.000 2.593 33 A HA 0.671 4.989 4.320 -0.003 0.000 0.290 33 A C 0.274 177.812 177.584 -0.077 0.000 1.126 33 A CA -0.335 51.692 52.037 -0.017 0.000 0.695 33 A CB 1.941 20.962 19.000 0.035 0.000 1.290 33 A HN 0.588 nan 8.150 nan 0.000 0.414 34 Q N -0.745 118.993 119.800 -0.102 0.000 2.245 34 Q HA 0.100 4.438 4.340 -0.003 0.000 0.201 34 Q C -0.886 174.903 176.000 -0.350 0.000 0.955 34 Q CA 1.336 56.974 55.803 -0.275 0.000 0.870 34 Q CB 0.079 28.655 28.738 -0.271 0.000 0.945 34 Q HN 0.669 nan 8.270 nan 0.000 0.461 35 Y N -0.256 120.065 120.300 0.035 0.000 2.552 35 Y HA 0.354 4.902 4.550 -0.004 0.000 0.337 35 Y C -2.076 173.853 175.900 0.048 0.000 1.094 35 Y CA -2.347 55.785 58.100 0.054 0.000 1.028 35 Y CB 2.042 40.563 38.460 0.102 0.000 1.321 35 Y HN 0.063 nan 8.280 nan 0.000 0.456 36 P HA 0.075 nan 4.420 nan 0.000 0.286 36 P C -0.581 176.789 177.300 0.117 0.000 1.293 36 P CA -0.352 62.829 63.100 0.136 0.000 0.770 36 P CB 0.475 32.244 31.700 0.116 0.000 1.206 37 T N 0.949 115.543 114.554 0.067 0.000 2.751 37 T HA 0.101 4.449 4.350 -0.003 0.000 0.279 37 T C 1.235 175.965 174.700 0.051 0.000 0.941 37 T CA 0.531 62.664 62.100 0.055 0.000 1.192 37 T CB -0.724 68.161 68.868 0.028 0.000 0.883 37 T HN 0.260 nan 8.240 nan 0.000 0.534 38 I N 1.727 122.328 120.570 0.051 0.000 3.812 38 I HA 0.258 4.426 4.170 -0.003 0.000 0.292 38 I C 1.565 177.707 176.117 0.041 0.000 1.206 38 I CA -0.067 61.248 61.300 0.025 0.000 1.370 38 I CB 0.103 38.071 38.000 -0.054 0.000 1.328 38 I HN 0.564 nan 8.210 nan 0.000 0.453 39 A N 2.948 125.798 122.820 0.050 0.000 2.386 39 A HA 0.337 4.655 4.320 -0.003 0.000 0.248 39 A C -2.266 175.352 177.584 0.057 0.000 1.082 39 A CA -0.883 51.189 52.037 0.058 0.000 0.789 39 A CB -0.705 18.332 19.000 0.062 0.000 1.025 39 A HN 0.023 nan 8.150 nan 0.000 0.490 40 P HA 0.214 nan 4.420 nan 0.000 0.271 40 P C -2.620 174.709 177.300 0.049 0.000 1.216 40 P CA -1.011 62.120 63.100 0.052 0.000 0.776 40 P CB -0.103 31.615 31.700 0.030 0.000 0.881 41 P HA 0.209 nan 4.420 nan 0.000 0.269 41 P C -0.833 176.544 177.300 0.128 0.000 1.215 41 P CA 0.043 63.186 63.100 0.072 0.000 0.780 41 P CB 0.577 32.298 31.700 0.035 0.000 0.898 42 A N 1.735 124.623 122.820 0.114 0.000 2.454 42 A HA 0.651 4.969 4.320 -0.003 0.000 0.302 42 A C -1.154 176.521 177.584 0.151 0.000 1.079 42 A CA -0.643 51.471 52.037 0.128 0.000 0.731 42 A CB 1.605 20.627 19.000 0.036 0.000 1.299 42 A HN 0.287 nan 8.150 nan 0.000 0.413 43 V N 1.298 121.328 119.914 0.193 0.000 2.531 43 V HA 0.568 4.686 4.120 -0.003 0.000 0.301 43 V C -0.200 175.948 176.094 0.090 0.000 1.034 43 V CA -0.382 62.008 62.300 0.149 0.000 0.865 43 V CB 1.896 33.848 31.823 0.214 0.000 0.995 43 V HN 0.926 nan 8.190 nan 0.000 0.424 44 T N 6.080 120.675 114.554 0.068 0.000 2.771 44 T HA 0.634 4.982 4.350 -0.003 0.000 0.281 44 T C -0.178 174.553 174.700 0.052 0.000 0.982 44 T CA -0.138 61.995 62.100 0.055 0.000 0.978 44 T CB 0.929 69.832 68.868 0.059 0.000 0.930 44 T HN 0.393 nan 8.240 nan 0.000 0.447 45 I N 2.598 123.195 120.570 0.045 0.000 2.331 45 I HA 0.334 4.502 4.170 -0.003 0.000 0.292 45 I C 0.401 176.545 176.117 0.045 0.000 0.998 45 I CA -0.280 61.045 61.300 0.042 0.000 1.267 45 I CB 1.268 39.289 38.000 0.035 0.000 1.386 45 I HN 0.475 nan 8.210 nan 0.000 0.476 46 S N 4.757 120.485 115.700 0.046 0.000 2.478 46 S HA 0.826 5.294 4.470 -0.003 0.000 0.312 46 S C -0.438 174.191 174.600 0.048 0.000 1.094 46 S CA -0.545 57.686 58.200 0.052 0.000 1.081 46 S CB 1.766 65.001 63.200 0.058 0.000 1.007 46 S HN 0.721 nan 8.310 nan 0.000 0.475 47 A N 2.125 124.977 122.820 0.054 0.000 2.469 47 A HA 0.902 5.219 4.320 -0.003 0.000 0.299 47 A C -0.682 176.945 177.584 0.071 0.000 1.098 47 A CA -0.755 51.313 52.037 0.053 0.000 0.737 47 A CB 1.922 20.951 19.000 0.048 0.000 1.312 47 A HN 0.612 nan 8.150 nan 0.000 0.414 48 S N -0.134 115.609 115.700 0.072 0.000 2.614 48 S HA 0.561 5.029 4.470 -0.003 0.000 0.288 48 S C -1.745 172.937 174.600 0.138 0.000 1.137 48 S CA -0.238 58.024 58.200 0.104 0.000 0.992 48 S CB 0.728 63.981 63.200 0.088 0.000 1.026 48 S HN 0.724 nan 8.310 nan 0.000 0.486 49 Y N 5.694 126.019 120.300 0.041 0.000 2.915 49 Y HA 0.376 4.925 4.550 -0.003 0.000 0.350 49 Y C -2.459 173.468 175.900 0.044 0.000 1.061 49 Y CA -2.766 55.357 58.100 0.039 0.000 1.179 49 Y CB 0.835 39.314 38.460 0.031 0.000 1.180 49 Y HN 0.482 nan 8.280 nan 0.000 0.605 50 P HA -0.007 nan 4.420 nan 0.000 0.261 50 P C 0.775 178.175 177.300 0.165 0.000 1.173 50 P CA 2.217 65.439 63.100 0.204 0.000 0.760 50 P CB 0.709 32.517 31.700 0.181 0.000 0.783 51 G N 1.856 110.710 108.800 0.090 0.000 2.267 51 G HA2 -0.264 3.694 3.960 -0.003 0.000 0.257 51 G HA3 -0.264 3.694 3.960 -0.003 0.000 0.257 51 G C 0.513 175.389 174.900 -0.039 0.000 0.998 51 G CA 0.144 45.268 45.100 0.041 0.000 0.620 51 G HN 0.881 nan 8.290 nan 0.000 0.529 52 A N 0.701 123.440 122.820 -0.135 0.000 2.407 52 A HA 0.569 4.887 4.320 -0.003 0.000 0.248 52 A C 0.547 178.034 177.584 -0.161 0.000 1.082 52 A CA 0.775 52.637 52.037 -0.291 0.000 0.785 52 A CB 0.162 18.699 19.000 -0.772 0.000 1.020 52 A HN 1.101 nan 8.150 nan 0.000 0.489 53 D N 0.507 120.823 120.400 -0.141 0.000 2.433 53 D HA 0.493 5.130 4.640 -0.003 0.000 0.255 53 D C 1.104 177.362 176.300 -0.070 0.000 1.226 53 D CA 0.083 54.037 54.000 -0.077 0.000 1.015 53 D CB 0.785 41.550 40.800 -0.059 0.000 1.091 53 D HN 0.434 nan 8.370 nan 0.000 0.527 54 A N -0.075 122.721 122.820 -0.040 0.000 1.877 54 A HA -0.204 4.114 4.320 -0.003 0.000 0.216 54 A C 2.074 179.639 177.584 -0.032 0.000 1.186 54 A CA 1.449 53.470 52.037 -0.027 0.000 0.620 54 A CB -0.894 18.092 19.000 -0.024 0.000 0.822 54 A HN 0.557 nan 8.150 nan 0.000 0.443 55 K N -0.347 120.027 120.400 -0.044 0.000 2.063 55 K HA -0.140 4.178 4.320 -0.003 0.000 0.208 55 K C 2.058 178.638 176.600 -0.034 0.000 1.048 55 K CA 2.086 58.352 56.287 -0.036 0.000 0.928 55 K CB -0.684 31.793 32.500 -0.038 0.000 0.713 55 K HN 0.603 nan 8.250 nan 0.000 0.442 56 T N 0.704 115.219 114.554 -0.065 0.000 2.788 56 T HA -0.122 4.226 4.350 -0.003 0.000 0.268 56 T C 1.956 176.616 174.700 -0.066 0.000 1.044 56 T CA 1.580 63.624 62.100 -0.093 0.000 1.139 56 T CB -0.547 68.207 68.868 -0.191 0.000 0.867 56 T HN 0.206 nan 8.240 nan 0.000 0.454 57 V N -0.183 119.698 119.914 -0.054 0.000 2.788 57 V HA -0.022 4.096 4.120 -0.003 0.000 0.251 57 V C 2.380 178.514 176.094 0.067 0.000 1.068 57 V CA 1.097 63.422 62.300 0.042 0.000 1.090 57 V CB -0.843 31.013 31.823 0.055 0.000 0.710 57 V HN 0.364 nan 8.190 nan 0.000 0.467 58 Q N 1.920 121.741 119.800 0.036 0.000 1.917 58 Q HA -0.263 4.075 4.340 -0.003 0.000 0.205 58 Q C 1.921 177.948 176.000 0.044 0.000 0.988 58 Q CA 2.585 58.412 55.803 0.039 0.000 0.851 58 Q CB -0.292 28.463 28.738 0.029 0.000 0.916 58 Q HN 0.880 nan 8.270 nan 0.000 0.424 59 D N -1.142 119.279 120.400 0.035 0.000 2.378 59 D HA -0.096 4.542 4.640 -0.003 0.000 0.222 59 D C 1.145 177.476 176.300 0.050 0.000 0.980 59 D CA 1.170 55.192 54.000 0.036 0.000 0.907 59 D CB -0.142 40.674 40.800 0.027 0.000 0.899 59 D HN 0.155 nan 8.370 nan 0.000 0.527 60 T N -1.163 113.435 114.554 0.074 0.000 3.046 60 T HA 0.119 4.467 4.350 -0.003 0.000 0.242 60 T C 1.727 176.492 174.700 0.107 0.000 1.018 60 T CA 0.473 62.640 62.100 0.111 0.000 1.131 60 T CB 0.359 69.342 68.868 0.191 0.000 0.904 60 T HN 0.051 nan 8.240 nan 0.000 0.459 61 V N 0.816 120.798 119.914 0.113 0.000 3.050 61 V HA 0.024 4.142 4.120 -0.003 0.000 0.223 61 V C 2.563 178.692 176.094 0.059 0.000 1.162 61 V CA 1.039 63.391 62.300 0.086 0.000 1.247 61 V CB -1.113 30.778 31.823 0.113 0.000 1.125 61 V HN 0.319 nan 8.190 nan 0.000 0.508 62 T N 0.274 114.864 114.554 0.060 0.000 2.536 62 T HA -0.407 3.941 4.350 -0.003 0.000 0.263 62 T C 1.864 176.582 174.700 0.031 0.000 1.115 62 T CA 2.562 64.688 62.100 0.044 0.000 1.180 62 T CB -0.491 68.403 68.868 0.044 0.000 0.864 62 T HN 0.429 nan 8.240 nan 0.000 0.419 63 Q N 0.171 119.990 119.800 0.032 0.000 2.152 63 Q HA -0.158 4.180 4.340 -0.003 0.000 0.206 63 Q C 2.409 178.420 176.000 0.019 0.000 0.985 63 Q CA 1.545 57.362 55.803 0.024 0.000 0.863 63 Q CB -0.286 28.468 28.738 0.027 0.000 0.904 63 Q HN 0.450 nan 8.270 nan 0.000 0.422 64 V N 0.473 120.402 119.914 0.025 0.000 2.307 64 V HA -0.265 3.853 4.120 -0.003 0.000 0.245 64 V C 2.180 178.283 176.094 0.014 0.000 1.045 64 V CA 1.606 63.917 62.300 0.020 0.000 1.024 64 V CB -0.457 31.380 31.823 0.024 0.000 0.651 64 V HN 0.364 nan 8.190 nan 0.000 0.449 65 I N -0.064 120.516 120.570 0.016 0.000 2.179 65 I HA -0.238 3.930 4.170 -0.003 0.000 0.242 65 I C 2.590 178.709 176.117 0.005 0.000 1.088 65 I CA 1.672 62.980 61.300 0.012 0.000 1.357 65 I CB -0.473 37.537 38.000 0.017 0.000 1.051 65 I HN 0.350 nan 8.210 nan 0.000 0.409 66 E N 0.463 120.664 120.200 0.002 0.000 2.118 66 E HA -0.281 4.067 4.350 -0.003 0.000 0.195 66 E C 2.238 178.831 176.600 -0.012 0.000 0.992 66 E CA 1.177 57.571 56.400 -0.011 0.000 0.804 66 E CB -0.115 29.578 29.700 -0.012 0.000 0.741 66 E HN 0.578 nan 8.360 nan 0.000 0.458 67 Q N 0.272 120.070 119.800 -0.004 0.000 2.084 67 Q HA -0.145 4.193 4.340 -0.003 0.000 0.202 67 Q C 1.444 177.442 176.000 -0.004 0.000 0.978 67 Q CA 1.355 57.156 55.803 -0.004 0.000 0.844 67 Q CB -0.133 28.606 28.738 0.002 0.000 0.898 67 Q HN 0.255 nan 8.270 nan 0.000 0.426 68 N N -0.473 118.227 118.700 -0.000 0.000 2.461 68 N HA -0.021 4.717 4.740 -0.003 0.000 0.188 68 N C 0.595 176.106 175.510 0.002 0.000 1.134 68 N CA 0.167 53.218 53.050 0.002 0.000 0.878 68 N CB 0.227 38.717 38.487 0.005 0.000 0.972 68 N HN 0.046 nan 8.380 nan 0.000 0.456 69 M N 1.304 120.901 119.600 -0.005 0.000 2.686 69 M HA 0.095 4.573 4.480 -0.003 0.000 0.216 69 M C -0.299 175.991 176.300 -0.018 0.000 1.221 69 M CA -0.506 54.788 55.300 -0.010 0.000 0.992 69 M CB -1.500 31.086 32.600 -0.023 0.000 1.739 69 M HN 0.176 nan 8.290 nan 0.000 0.461 70 N N -1.551 117.144 118.700 -0.010 0.000 2.495 70 N HA 0.529 5.267 4.740 -0.003 0.000 0.280 70 N C 0.695 176.207 175.510 0.005 0.000 1.168 70 N CA 0.014 53.058 53.050 -0.009 0.000 0.978 70 N CB 0.662 39.145 38.487 -0.008 0.000 1.191 70 N HN 0.171 nan 8.380 nan 0.000 0.497 71 G N 0.194 108.998 108.800 0.006 0.000 2.298 71 G HA2 -0.221 3.737 3.960 -0.003 0.000 0.287 71 G HA3 -0.221 3.737 3.960 -0.003 0.000 0.287 71 G C -0.482 174.438 174.900 0.034 0.000 1.075 71 G CA 0.064 45.174 45.100 0.017 0.000 0.960 71 G HN 0.577 nan 8.290 nan 0.000 0.502 72 I N 0.219 120.819 120.570 0.051 0.000 2.465 72 I HA 0.265 4.433 4.170 -0.003 0.000 0.291 72 I C -0.294 175.906 176.117 0.139 0.000 1.014 72 I CA -1.142 60.221 61.300 0.104 0.000 1.093 72 I CB 1.519 39.616 38.000 0.161 0.000 1.267 72 I HN -0.072 nan 8.210 nan 0.000 0.431 73 D N 5.939 126.416 120.400 0.128 0.000 2.472 73 D HA 0.004 4.642 4.640 -0.003 0.000 0.237 73 D C 0.378 176.805 176.300 0.212 0.000 1.141 73 D CA 0.786 54.855 54.000 0.115 0.000 0.875 73 D CB 0.287 41.120 40.800 0.054 0.000 1.192 73 D HN 0.464 nan 8.370 nan 0.000 0.450 74 N N 0.377 119.173 118.700 0.160 0.000 2.721 74 N HA -0.226 4.512 4.740 -0.003 0.000 0.249 74 N C -0.459 175.215 175.510 0.274 0.000 1.072 74 N CA 0.231 53.398 53.050 0.194 0.000 0.710 74 N CB -1.368 37.221 38.487 0.171 0.000 0.993 74 N HN 0.329 nan 8.380 nan 0.000 0.547 75 L N -0.126 121.148 121.223 0.084 0.000 2.305 75 L HA 0.312 4.650 4.340 -0.003 0.000 0.281 75 L C 1.441 178.193 176.870 -0.198 0.000 1.085 75 L CA 0.134 54.817 54.840 -0.261 0.000 0.813 75 L CB 0.823 42.693 42.059 -0.314 0.000 1.157 75 L HN 0.205 nan 8.230 nan 0.000 0.436 76 M N 4.137 123.543 119.600 -0.322 0.000 2.398 76 M HA 0.154 4.632 4.480 -0.003 0.000 0.261 76 M C -0.840 175.359 176.300 -0.167 0.000 1.125 76 M CA 0.868 56.044 55.300 -0.206 0.000 1.183 76 M CB 0.299 32.717 32.600 -0.304 0.000 1.322 76 M HN 0.705 nan 8.290 nan 0.000 0.467 77 Y N -3.219 116.871 120.300 -0.351 0.000 2.713 77 Y HA 0.659 5.207 4.550 -0.003 0.000 0.335 77 Y C -1.262 174.373 175.900 -0.441 0.000 1.222 77 Y CA -1.988 55.867 58.100 -0.408 0.000 1.061 77 Y CB 0.890 39.077 38.460 -0.455 0.000 1.314 77 Y HN -0.039 nan 8.280 nan 0.000 0.453 78 M N 2.836 122.273 119.600 -0.273 0.000 2.457 78 M HA 0.742 5.220 4.480 -0.003 0.000 0.300 78 M C -1.493 174.650 176.300 -0.261 0.000 1.141 78 M CA -0.469 54.680 55.300 -0.252 0.000 0.901 78 M CB 2.166 34.629 32.600 -0.228 0.000 1.687 78 M HN 1.035 nan 8.290 nan 0.000 0.449 79 S N 2.215 117.868 115.700 -0.078 0.000 2.546 79 S HA 0.931 5.399 4.470 -0.003 0.000 0.274 79 S C -1.200 173.421 174.600 0.036 0.000 1.121 79 S CA -0.461 57.752 58.200 0.022 0.000 0.887 79 S CB 1.985 65.309 63.200 0.208 0.000 1.094 79 S HN 0.867 nan 8.310 nan 0.000 0.474 80 S N 1.403 117.134 115.700 0.052 0.000 2.579 80 S HA 0.714 5.182 4.470 -0.003 0.000 0.272 80 S C -1.305 173.331 174.600 0.061 0.000 1.141 80 S CA -1.056 57.172 58.200 0.048 0.000 0.843 80 S CB 0.933 64.150 63.200 0.029 0.000 1.122 80 S HN 0.876 nan 8.310 nan 0.000 0.468 81 N N -0.250 118.485 118.700 0.059 0.000 2.265 81 N HA 0.723 5.461 4.740 -0.003 0.000 0.300 81 N C -1.678 173.865 175.510 0.055 0.000 1.148 81 N CA -0.926 52.160 53.050 0.060 0.000 0.772 81 N CB 2.225 40.749 38.487 0.061 0.000 1.434 81 N HN 0.591 nan 8.380 nan 0.000 0.481 82 S N 0.479 116.210 115.700 0.050 0.000 2.707 82 S HA 0.318 4.786 4.470 -0.003 0.000 0.303 82 S C -1.412 173.209 174.600 0.036 0.000 1.132 82 S CA -0.815 57.412 58.200 0.044 0.000 1.046 82 S CB 1.124 64.347 63.200 0.038 0.000 1.004 82 S HN 0.420 nan 8.310 nan 0.000 0.483 83 D N 1.613 122.036 120.400 0.038 0.000 2.294 83 D HA 0.289 4.927 4.640 -0.003 0.000 0.250 83 D C 1.224 177.537 176.300 0.022 0.000 1.058 83 D CA -0.292 53.728 54.000 0.034 0.000 0.950 83 D CB 1.498 42.325 40.800 0.044 0.000 1.158 83 D HN 0.483 nan 8.370 nan 0.000 0.453 84 S N -1.038 114.675 115.700 0.022 0.000 2.522 84 S HA -0.120 4.348 4.470 -0.003 0.000 0.227 84 S C 1.412 176.026 174.600 0.024 0.000 0.986 84 S CA 0.891 59.101 58.200 0.016 0.000 0.929 84 S CB -0.372 62.843 63.200 0.025 0.000 0.769 84 S HN 0.534 nan 8.310 nan 0.000 0.529 85 T N -2.554 112.023 114.554 0.038 0.000 3.144 85 T HA 0.508 4.856 4.350 -0.003 0.000 0.249 85 T C 1.474 176.210 174.700 0.060 0.000 1.089 85 T CA 0.355 62.485 62.100 0.051 0.000 0.989 85 T CB -0.285 68.619 68.868 0.059 0.000 0.992 85 T HN 1.031 nan 8.240 nan 0.000 0.540 86 G N 0.920 109.748 108.800 0.047 0.000 2.148 86 G HA2 -0.252 3.706 3.960 -0.003 0.000 0.254 86 G HA3 -0.252 3.706 3.960 -0.003 0.000 0.254 86 G C 0.146 175.110 174.900 0.107 0.000 0.981 86 G CA 0.222 45.365 45.100 0.070 0.000 0.670 86 G HN 0.674 nan 8.290 nan 0.000 0.528 87 T N 0.132 114.735 114.554 0.083 0.000 2.869 87 T HA 0.528 4.876 4.350 -0.003 0.000 0.295 87 T C 0.078 174.824 174.700 0.077 0.000 0.987 87 T CA 0.473 62.623 62.100 0.083 0.000 1.109 87 T CB 2.158 71.070 68.868 0.073 0.000 0.932 87 T HN 1.220 nan 8.240 nan 0.000 0.518 88 V N 4.480 124.441 119.914 0.078 0.000 2.638 88 V HA 0.570 4.688 4.120 -0.003 0.000 0.306 88 V C -1.451 174.681 176.094 0.063 0.000 1.052 88 V CA -0.580 61.762 62.300 0.069 0.000 0.885 88 V CB 1.891 33.757 31.823 0.072 0.000 0.999 88 V HN 0.881 nan 8.190 nan 0.000 0.424 89 Q N 6.729 126.565 119.800 0.060 0.000 2.290 89 Q HA 0.567 4.905 4.340 -0.003 0.000 0.269 89 Q C -1.283 174.747 176.000 0.049 0.000 1.016 89 Q CA -0.420 55.418 55.803 0.058 0.000 0.754 89 Q CB 2.656 31.434 28.738 0.068 0.000 1.247 89 Q HN 0.805 nan 8.270 nan 0.000 0.451 90 I N 2.104 122.697 120.570 0.039 0.000 2.355 90 I HA 0.309 4.477 4.170 -0.003 0.000 0.288 90 I C -0.198 175.928 176.117 0.016 0.000 0.999 90 I CA -0.422 60.891 61.300 0.023 0.000 1.163 90 I CB 1.797 39.804 38.000 0.012 0.000 1.316 90 I HN 0.355 nan 8.210 nan 0.000 0.454 91 T N 6.891 121.449 114.554 0.007 0.000 2.771 91 T HA 0.453 4.801 4.350 -0.003 0.000 0.281 91 T C -0.200 174.449 174.700 -0.085 0.000 0.982 91 T CA -0.532 61.563 62.100 -0.008 0.000 0.978 91 T CB 1.263 70.142 68.868 0.019 0.000 0.930 91 T HN 0.170 nan 8.240 nan 0.000 0.447 92 L N 4.613 125.764 121.223 -0.120 0.000 2.264 92 L HA 0.336 4.674 4.340 -0.003 0.000 0.287 92 L C 0.559 177.174 176.870 -0.426 0.000 1.039 92 L CA -0.338 54.300 54.840 -0.336 0.000 0.829 92 L CB 0.417 42.267 42.059 -0.348 0.000 1.211 92 L HN 0.714 nan 8.230 nan 0.000 0.427 93 T N 3.368 117.566 114.554 -0.593 0.000 2.780 93 T HA 0.500 4.848 4.350 -0.003 0.000 0.294 93 T C 0.088 174.372 174.700 -0.693 0.000 0.949 93 T CA -0.128 61.609 62.100 -0.604 0.000 1.074 93 T CB 0.542 68.825 68.868 -0.975 0.000 0.910 93 T HN 0.078 nan 8.240 nan 0.000 0.501 94 F N 0.863 120.654 119.950 -0.266 0.000 2.457 94 F HA 0.355 4.880 4.527 -0.003 0.000 0.330 94 F C 1.191 176.913 175.800 -0.130 0.000 1.069 94 F CA -1.216 56.678 58.000 -0.176 0.000 1.009 94 F CB 0.712 39.650 39.000 -0.103 0.000 1.276 94 F HN 0.362 nan 8.300 nan 0.000 0.492 95 E N 0.548 120.847 120.200 0.166 0.000 2.442 95 E HA -0.043 4.305 4.350 -0.003 0.000 0.262 95 E C -0.168 176.497 176.600 0.109 0.000 1.004 95 E CA 0.016 56.484 56.400 0.115 0.000 0.928 95 E CB 0.915 30.686 29.700 0.118 0.000 0.937 95 E HN 0.440 nan 8.360 nan 0.000 0.446 96 S N 1.037 116.800 115.700 0.104 0.000 2.563 96 S HA 0.177 4.645 4.470 -0.003 0.000 0.294 96 S C 1.157 175.806 174.600 0.081 0.000 1.279 96 S CA 0.986 59.242 58.200 0.093 0.000 1.069 96 S CB -0.022 63.242 63.200 0.107 0.000 0.828 96 S HN 0.710 nan 8.310 nan 0.000 0.497 97 G N 3.556 112.394 108.800 0.063 0.000 2.155 97 G HA2 -0.247 3.711 3.960 -0.003 0.000 0.257 97 G HA3 -0.247 3.711 3.960 -0.003 0.000 0.257 97 G C 0.255 175.174 174.900 0.032 0.000 0.983 97 G CA 0.471 45.600 45.100 0.048 0.000 0.676 97 G HN 0.865 nan 8.290 nan 0.000 0.528 98 T N 0.755 115.327 114.554 0.030 0.000 2.930 98 T HA 0.346 4.694 4.350 -0.003 0.000 0.306 98 T C 0.347 175.012 174.700 -0.059 0.000 1.045 98 T CA 0.580 62.673 62.100 -0.012 0.000 1.134 98 T CB 1.131 69.995 68.868 -0.007 0.000 0.961 98 T HN 0.329 nan 8.240 nan 0.000 0.545 99 D N 1.532 121.882 120.400 -0.083 0.000 2.342 99 D HA 0.298 4.936 4.640 -0.003 0.000 0.260 99 D C 1.080 177.286 176.300 -0.157 0.000 1.278 99 D CA -0.245 53.699 54.000 -0.093 0.000 0.910 99 D CB 0.426 41.182 40.800 -0.074 0.000 1.079 99 D HN 0.510 nan 8.370 nan 0.000 0.496 100 A N 4.242 126.983 122.820 -0.131 0.000 1.940 100 A HA -0.210 4.108 4.320 -0.003 0.000 0.219 100 A C 1.805 179.293 177.584 -0.161 0.000 1.176 100 A CA 1.379 53.320 52.037 -0.159 0.000 0.631 100 A CB -0.228 18.726 19.000 -0.077 0.000 0.814 100 A HN 0.591 nan 8.150 nan 0.000 0.446 101 D N -0.271 120.064 120.400 -0.108 0.000 2.178 101 D HA -0.092 4.545 4.640 -0.003 0.000 0.202 101 D C 1.792 178.028 176.300 -0.107 0.000 0.974 101 D CA 0.718 54.666 54.000 -0.087 0.000 0.841 101 D CB -0.161 40.606 40.800 -0.056 0.000 0.953 101 D HN 0.322 nan 8.370 nan 0.000 0.478 102 I N 1.092 121.583 120.570 -0.132 0.000 2.233 102 I HA -0.133 4.035 4.170 -0.003 0.000 0.243 102 I C 2.446 178.436 176.117 -0.211 0.000 1.093 102 I CA 0.521 61.739 61.300 -0.138 0.000 1.380 102 I CB -1.235 36.694 38.000 -0.119 0.000 1.067 102 I HN -0.132 nan 8.210 nan 0.000 0.413 103 A N 0.772 123.365 122.820 -0.378 0.000 1.873 103 A HA -0.327 3.991 4.320 -0.003 0.000 0.218 103 A C 2.251 179.628 177.584 -0.346 0.000 1.193 103 A CA 2.475 54.094 52.037 -0.696 0.000 0.629 103 A CB -0.890 17.270 19.000 -1.400 0.000 0.826 103 A HN 0.512 nan 8.150 nan 0.000 0.447 104 Q N 0.279 119.949 119.800 -0.216 0.000 2.062 104 Q HA -0.173 4.165 4.340 -0.003 0.000 0.209 104 Q C 1.751 177.723 176.000 -0.047 0.000 0.996 104 Q CA 2.947 58.703 55.803 -0.079 0.000 0.859 104 Q CB -1.124 27.579 28.738 -0.058 0.000 0.920 104 Q HN 0.311 nan 8.270 nan 0.000 0.415 105 V N 0.897 120.774 119.914 -0.062 0.000 2.237 105 V HA -0.313 3.805 4.120 -0.003 0.000 0.245 105 V C 2.565 178.645 176.094 -0.022 0.000 1.046 105 V CA 2.395 64.673 62.300 -0.037 0.000 1.007 105 V CB -0.849 30.950 31.823 -0.041 0.000 0.638 105 V HN 0.519 nan 8.190 nan 0.000 0.445 106 Q N -0.699 119.080 119.800 -0.034 0.000 2.152 106 Q HA -0.201 4.137 4.340 -0.003 0.000 0.206 106 Q C 2.314 178.336 176.000 0.036 0.000 0.985 106 Q CA 1.922 57.724 55.803 -0.001 0.000 0.863 106 Q CB -0.367 28.368 28.738 -0.004 0.000 0.904 106 Q HN 0.550 nan 8.270 nan 0.000 0.422 107 V N 1.380 121.327 119.914 0.056 0.000 2.261 107 V HA -0.323 3.795 4.120 -0.003 0.000 0.246 107 V C 2.411 178.534 176.094 0.047 0.000 1.047 107 V CA 2.332 64.686 62.300 0.089 0.000 1.015 107 V CB -0.718 31.188 31.823 0.139 0.000 0.642 107 V HN 0.529 nan 8.190 nan 0.000 0.446 108 Q N -0.121 119.697 119.800 0.029 0.000 2.224 108 Q HA -0.184 4.154 4.340 -0.003 0.000 0.203 108 Q C 1.814 177.823 176.000 0.014 0.000 0.970 108 Q CA 1.896 57.711 55.803 0.020 0.000 0.865 108 Q CB -0.429 28.317 28.738 0.012 0.000 0.922 108 Q HN 0.531 nan 8.270 nan 0.000 0.445 109 N N 0.699 119.407 118.700 0.012 0.000 2.120 109 N HA -0.104 4.634 4.740 -0.003 0.000 0.188 109 N C 1.393 176.910 175.510 0.012 0.000 1.024 109 N CA 1.233 54.288 53.050 0.009 0.000 0.852 109 N CB -0.035 38.456 38.487 0.006 0.000 1.003 109 N HN 0.224 nan 8.380 nan 0.000 0.424 110 K N 1.025 121.437 120.400 0.019 0.000 2.103 110 K HA 0.008 4.326 4.320 -0.003 0.000 0.204 110 K C 1.918 178.527 176.600 0.016 0.000 1.052 110 K CA 0.050 56.348 56.287 0.019 0.000 0.945 110 K CB -0.633 31.882 32.500 0.025 0.000 0.722 110 K HN 0.192 nan 8.250 nan 0.000 0.443 111 L N 1.347 122.582 121.223 0.019 0.000 1.970 111 L HA -0.242 4.096 4.340 -0.003 0.000 0.212 111 L C 1.822 178.698 176.870 0.010 0.000 1.071 111 L CA 1.913 56.762 54.840 0.016 0.000 0.751 111 L CB -0.560 41.511 42.059 0.019 0.000 0.889 111 L HN 0.162 nan 8.230 nan 0.000 0.432 112 Q N -0.163 119.642 119.800 0.009 0.000 2.515 112 Q HA -0.130 4.208 4.340 -0.003 0.000 0.215 112 Q C 2.023 178.025 176.000 0.004 0.000 0.983 112 Q CA 1.086 56.892 55.803 0.005 0.000 0.905 112 Q CB -0.314 28.427 28.738 0.004 0.000 0.961 112 Q HN 0.548 nan 8.270 nan 0.000 0.503 113 L N -1.694 119.532 121.223 0.005 0.000 2.307 113 L HA 0.073 4.411 4.340 -0.003 0.000 0.211 113 L C 1.799 178.672 176.870 0.004 0.000 1.099 113 L CA 0.740 55.583 54.840 0.004 0.000 0.816 113 L CB -0.148 41.914 42.059 0.005 0.000 0.952 113 L HN 0.134 nan 8.230 nan 0.000 0.455 114 A N -0.979 121.844 122.820 0.005 0.000 2.123 114 A HA -0.051 4.267 4.320 -0.003 0.000 0.214 114 A C 2.219 179.804 177.584 0.002 0.000 1.152 114 A CA 0.431 52.471 52.037 0.005 0.000 0.728 114 A CB -0.146 18.858 19.000 0.008 0.000 0.814 114 A HN 0.172 nan 8.150 nan 0.000 0.464 115 M N -0.069 119.531 119.600 -0.000 0.000 2.065 115 M HA -0.113 4.365 4.480 -0.003 0.000 0.259 115 M C -0.366 175.928 176.300 -0.010 0.000 1.071 115 M CA 1.907 57.204 55.300 -0.005 0.000 1.109 115 M CB -2.266 30.331 32.600 -0.005 0.000 1.313 115 M HN 0.101 nan 8.290 nan 0.000 0.408 116 P HA -0.155 nan 4.420 nan 0.000 0.216 116 P C 1.737 179.031 177.300 -0.009 0.000 1.154 116 P CA 1.294 64.389 63.100 -0.009 0.000 0.865 116 P CB -0.237 31.460 31.700 -0.005 0.000 0.789 117 L N -2.220 119.000 121.223 -0.005 0.000 2.549 117 L HA -0.059 4.279 4.340 -0.003 0.000 0.229 117 L C 1.064 177.932 176.870 -0.003 0.000 1.158 117 L CA 0.290 55.129 54.840 -0.001 0.000 0.842 117 L CB -0.599 41.462 42.059 0.004 0.000 0.952 117 L HN -0.032 nan 8.230 nan 0.000 0.452 118 L N -0.680 120.535 121.223 -0.013 0.000 2.399 118 L HA 0.331 4.669 4.340 -0.003 0.000 0.266 118 L C -2.010 174.824 176.870 -0.060 0.000 1.114 118 L CA -2.273 52.550 54.840 -0.028 0.000 0.804 118 L CB -0.056 41.984 42.059 -0.033 0.000 1.146 118 L HN -0.257 nan 8.230 nan 0.000 0.451 119 P HA -0.060 nan 4.420 nan 0.000 0.266 119 P C 0.080 177.277 177.300 -0.172 0.000 1.193 119 P CA 0.103 63.099 63.100 -0.173 0.000 0.770 119 P CB 0.520 31.967 31.700 -0.422 0.000 0.836 120 Q N 1.295 121.021 119.800 -0.124 0.000 2.096 120 Q HA -0.266 4.072 4.340 -0.003 0.000 0.204 120 Q C 1.452 177.381 176.000 -0.117 0.000 0.982 120 Q CA 1.790 57.537 55.803 -0.092 0.000 0.850 120 Q CB -0.092 28.613 28.738 -0.055 0.000 0.901 120 Q HN 0.419 nan 8.270 nan 0.000 0.422 121 E N -0.692 119.403 120.200 -0.174 0.000 2.085 121 E HA -0.178 4.170 4.350 -0.003 0.000 0.194 121 E C 1.910 178.397 176.600 -0.187 0.000 0.994 121 E CA 1.467 57.767 56.400 -0.168 0.000 0.801 121 E CB -0.086 29.496 29.700 -0.197 0.000 0.743 121 E HN 0.167 nan 8.360 nan 0.000 0.453 122 V N 0.721 120.449 119.914 -0.308 0.000 2.244 122 V HA -0.295 3.823 4.120 -0.003 0.000 0.244 122 V C 2.226 178.260 176.094 -0.100 0.000 1.042 122 V CA 1.966 64.141 62.300 -0.209 0.000 1.006 122 V CB -0.594 31.081 31.823 -0.246 0.000 0.641 122 V HN 0.287 nan 8.190 nan 0.000 0.446 123 Q N 0.128 119.871 119.800 -0.095 0.000 2.152 123 Q HA -0.316 4.022 4.340 -0.003 0.000 0.206 123 Q C 2.279 178.259 176.000 -0.035 0.000 0.985 123 Q CA 2.224 57.995 55.803 -0.053 0.000 0.863 123 Q CB -0.213 28.496 28.738 -0.049 0.000 0.904 123 Q HN 0.880 nan 8.270 nan 0.000 0.422 124 Q N -0.536 119.241 119.800 -0.039 0.000 2.398 124 Q HA -0.093 4.245 4.340 -0.003 0.000 0.204 124 Q C 1.678 177.678 176.000 -0.000 0.000 0.932 124 Q CA 0.600 56.392 55.803 -0.018 0.000 0.916 124 Q CB 0.089 28.816 28.738 -0.019 0.000 1.024 124 Q HN 0.125 nan 8.270 nan 0.000 0.504 125 Q N 1.462 121.260 119.800 -0.004 0.000 2.311 125 Q HA 0.145 4.483 4.340 -0.003 0.000 0.203 125 Q C 0.045 176.057 176.000 0.021 0.000 0.954 125 Q CA 1.251 57.066 55.803 0.021 0.000 0.885 125 Q CB 0.199 28.951 28.738 0.024 0.000 0.963 125 Q HN 0.544 nan 8.270 nan 0.000 0.471 126 G N -0.582 108.223 108.800 0.008 0.000 3.338 126 G HA2 -0.097 3.861 3.960 -0.003 0.000 0.686 126 G HA3 -0.097 3.861 3.960 -0.003 0.000 0.686 126 G C -1.034 173.876 174.900 0.015 0.000 1.053 126 G CA -0.309 44.797 45.100 0.011 0.000 0.852 126 G HN 0.245 nan 8.290 nan 0.000 0.545 127 V N 2.345 122.266 119.914 0.012 0.000 2.350 127 V HA 0.731 4.849 4.120 -0.003 0.000 0.276 127 V C 0.939 177.045 176.094 0.020 0.000 1.028 127 V CA -0.079 62.231 62.300 0.017 0.000 0.860 127 V CB 1.291 33.121 31.823 0.013 0.000 0.990 127 V HN 1.481 nan 8.190 nan 0.000 0.453 128 S N 4.186 119.902 115.700 0.027 0.000 2.585 128 S HA 0.773 5.241 4.470 -0.003 0.000 0.277 128 S C -0.496 174.122 174.600 0.030 0.000 1.241 128 S CA -0.691 57.525 58.200 0.028 0.000 1.041 128 S CB 1.749 64.969 63.200 0.033 0.000 0.987 128 S HN 0.612 nan 8.310 nan 0.000 0.512 129 V N 1.618 121.548 119.914 0.028 0.000 2.419 129 V HA 0.569 4.687 4.120 -0.003 0.000 0.287 129 V C -0.632 175.480 176.094 0.030 0.000 1.017 129 V CA -0.544 61.775 62.300 0.031 0.000 0.844 129 V CB 0.604 32.443 31.823 0.026 0.000 1.011 129 V HN 1.000 nan 8.190 nan 0.000 0.429 130 E N 2.562 122.785 120.200 0.038 0.000 2.292 130 E HA 0.463 4.811 4.350 -0.003 0.000 0.272 130 E C -1.216 175.410 176.600 0.043 0.000 0.881 130 E CA -1.185 55.236 56.400 0.036 0.000 0.754 130 E CB 2.940 32.664 29.700 0.040 0.000 1.201 130 E HN 0.526 nan 8.360 nan 0.000 0.425 131 K N 1.490 121.910 120.400 0.033 0.000 2.472 131 K HA 0.078 4.396 4.320 -0.003 0.000 0.280 131 K C -0.097 176.532 176.600 0.048 0.000 1.028 131 K CA 0.253 56.562 56.287 0.037 0.000 1.045 131 K CB 0.296 32.808 32.500 0.019 0.000 0.902 131 K HN 0.448 nan 8.250 nan 0.000 0.478 132 S N 0.998 116.732 115.700 0.056 0.000 2.578 132 S HA 0.489 4.957 4.470 -0.003 0.000 0.301 132 S C 0.085 174.718 174.600 0.055 0.000 1.091 132 S CA -1.035 57.200 58.200 0.058 0.000 1.032 132 S CB 1.995 65.231 63.200 0.060 0.000 1.064 132 S HN 0.393 nan 8.310 nan 0.000 0.508 133 S N 1.000 116.734 115.700 0.056 0.000 2.218 133 S HA 0.601 5.069 4.470 -0.003 0.000 0.225 133 S C 0.895 175.514 174.600 0.031 0.000 1.243 133 S CA -0.221 58.009 58.200 0.050 0.000 1.057 133 S CB 0.276 63.512 63.200 0.060 0.000 0.985 133 S HN 0.852 nan 8.310 nan 0.000 0.434 134 S N -1.210 114.489 115.700 -0.001 0.000 2.501 134 S HA 0.201 4.669 4.470 -0.003 0.000 0.250 134 S C -0.396 174.114 174.600 -0.151 0.000 0.959 134 S CA 0.230 58.405 58.200 -0.042 0.000 1.250 134 S CB -0.362 62.825 63.200 -0.022 0.000 0.933 134 S HN 0.737 nan 8.310 nan 0.000 0.420 135 S N 0.452 116.076 115.700 -0.126 0.000 2.632 135 S HA 0.797 5.265 4.470 -0.003 0.000 0.289 135 S C -0.917 173.638 174.600 -0.074 0.000 1.115 135 S CA -0.699 57.391 58.200 -0.184 0.000 0.889 135 S CB 0.997 64.180 63.200 -0.029 0.000 1.116 135 S HN 0.226 nan 8.310 nan 0.000 0.486 136 F N 1.308 121.418 119.950 0.267 0.000 2.412 136 F HA 0.349 4.874 4.527 -0.004 0.000 0.348 136 F C 1.368 177.308 175.800 0.233 0.000 1.102 136 F CA -0.969 57.159 58.000 0.214 0.000 1.196 136 F CB 0.734 39.815 39.000 0.135 0.000 1.144 136 F HN 0.510 nan 8.300 nan 0.000 0.541 137 L N 3.839 125.284 121.223 0.371 0.000 1.994 137 L HA -0.010 4.328 4.340 -0.003 0.000 0.208 137 L C 0.421 177.463 176.870 0.286 0.000 1.071 137 L CA 1.814 56.819 54.840 0.275 0.000 0.745 137 L CB -0.265 41.910 42.059 0.194 0.000 0.892 137 L HN 0.650 nan 8.230 nan 0.000 0.431 138 M N -2.779 116.969 119.600 0.247 0.000 2.622 138 M HA 0.508 4.986 4.480 -0.003 0.000 0.276 138 M C -1.428 174.872 176.300 0.000 0.000 1.265 138 M CA -0.901 54.508 55.300 0.183 0.000 0.850 138 M CB 2.067 34.737 32.600 0.116 0.000 1.720 138 M HN -0.351 nan 8.290 nan 0.000 0.465 139 V N 2.374 122.205 119.914 -0.139 0.000 2.334 139 V HA 0.418 4.536 4.120 -0.003 0.000 0.281 139 V C -0.384 175.514 176.094 -0.327 0.000 1.016 139 V CA -0.695 61.363 62.300 -0.403 0.000 0.832 139 V CB 1.385 32.707 31.823 -0.835 0.000 0.999 139 V HN 0.677 nan 8.190 nan 0.000 0.439 140 V N 4.753 124.518 119.914 -0.249 0.000 2.385 140 V HA 0.609 4.727 4.120 -0.003 0.000 0.269 140 V C 0.936 176.818 176.094 -0.354 0.000 1.043 140 V CA -0.053 62.101 62.300 -0.242 0.000 0.906 140 V CB 1.287 33.050 31.823 -0.099 0.000 0.995 140 V HN 0.920 nan 8.190 nan 0.000 0.467 141 G N 3.742 112.249 108.800 -0.488 0.000 2.410 141 G HA2 0.635 4.593 3.960 -0.003 0.000 0.330 141 G HA3 0.635 4.593 3.960 -0.003 0.000 0.330 141 G C -1.044 173.657 174.900 -0.331 0.000 1.142 141 G CA -0.452 44.398 45.100 -0.417 0.000 0.902 141 G HN 0.572 nan 8.290 nan 0.000 0.491 142 V N 2.245 122.056 119.914 -0.170 0.000 2.577 142 V HA 0.610 4.728 4.120 -0.003 0.000 0.303 142 V C 0.066 176.083 176.094 -0.128 0.000 1.042 142 V CA -0.597 61.595 62.300 -0.179 0.000 0.872 142 V CB 1.007 32.738 31.823 -0.153 0.000 0.998 142 V HN 0.858 nan 8.190 nan 0.000 0.423 143 I N 0.589 121.064 120.570 -0.159 0.000 3.239 143 I HA 0.677 4.845 4.170 -0.003 0.000 0.314 143 I C -0.684 175.378 176.117 -0.092 0.000 1.126 143 I CA -0.813 60.434 61.300 -0.088 0.000 0.973 143 I CB 2.462 40.434 38.000 -0.046 0.000 1.252 143 I HN 0.523 nan 8.210 nan 0.000 0.463 144 N N 1.004 119.673 118.700 -0.052 0.000 2.392 144 N HA 0.258 4.996 4.740 -0.003 0.000 0.283 144 N C 0.341 175.841 175.510 -0.016 0.000 1.003 144 N CA -0.047 52.973 53.050 -0.051 0.000 0.892 144 N CB 2.048 40.505 38.487 -0.049 0.000 1.193 144 N HN 0.912 nan 8.380 nan 0.000 0.487 145 T N -0.251 114.295 114.554 -0.014 0.000 2.939 145 T HA -0.055 4.292 4.350 -0.003 0.000 0.254 145 T C 0.801 175.505 174.700 0.007 0.000 1.041 145 T CA 0.707 62.810 62.100 0.005 0.000 1.142 145 T CB -0.111 68.761 68.868 0.007 0.000 0.874 145 T HN 0.647 nan 8.240 nan 0.000 0.452 146 D N 1.591 121.991 120.400 -0.000 0.000 2.406 146 D HA 0.386 5.024 4.640 -0.003 0.000 0.288 146 D C 1.040 177.341 176.300 0.002 0.000 1.186 146 D CA -0.340 53.662 54.000 0.003 0.000 1.098 146 D CB -0.845 39.956 40.800 0.002 0.000 1.160 146 D HN 0.258 nan 8.370 nan 0.000 0.561 147 G N -0.259 108.543 108.800 0.003 0.000 2.317 147 G HA2 0.131 4.089 3.960 -0.003 0.000 0.286 147 G HA3 0.131 4.089 3.960 -0.003 0.000 0.286 147 G C 0.030 174.932 174.900 0.003 0.000 0.839 147 G CA 0.140 45.243 45.100 0.005 0.000 1.389 147 G HN 0.462 nan 8.290 nan 0.000 0.344 148 T N 5.092 119.649 114.554 0.005 0.000 2.784 148 T HA 0.269 4.617 4.350 -0.003 0.000 0.291 148 T C 1.198 175.903 174.700 0.009 0.000 0.942 148 T CA -0.094 62.008 62.100 0.003 0.000 1.161 148 T CB 0.317 69.190 68.868 0.009 0.000 0.885 148 T HN 0.599 nan 8.240 nan 0.000 0.534 149 M N 2.257 121.858 119.600 0.001 0.000 2.245 149 M HA 0.284 4.762 4.480 -0.003 0.000 0.330 149 M C 0.998 177.313 176.300 0.025 0.000 1.098 149 M CA -0.845 54.465 55.300 0.016 0.000 1.172 149 M CB -0.259 32.341 32.600 -0.000 0.000 1.467 149 M HN 0.617 nan 8.290 nan 0.000 0.454 150 T N -0.704 113.883 114.554 0.055 0.000 2.681 150 T HA 0.026 4.374 4.350 -0.003 0.000 0.333 150 T C 0.868 175.601 174.700 0.055 0.000 1.049 150 T CA 0.198 62.337 62.100 0.064 0.000 1.002 150 T CB 0.586 69.515 68.868 0.101 0.000 1.161 150 T HN 0.844 nan 8.240 nan 0.000 0.519 151 Q N 0.312 120.153 119.800 0.068 0.000 2.020 151 Q HA -0.099 4.239 4.340 -0.003 0.000 0.202 151 Q C 2.249 178.281 176.000 0.054 0.000 0.982 151 Q CA 2.102 57.941 55.803 0.060 0.000 0.838 151 Q CB -0.462 28.324 28.738 0.080 0.000 0.899 151 Q HN 0.849 nan 8.270 nan 0.000 0.423 152 E N 0.364 120.632 120.200 0.112 0.000 2.204 152 E HA -0.152 4.196 4.350 -0.003 0.000 0.194 152 E C 1.608 178.134 176.600 -0.123 0.000 0.989 152 E CA 1.066 57.515 56.400 0.081 0.000 0.824 152 E CB -0.101 29.802 29.700 0.338 0.000 0.756 152 E HN 0.365 nan 8.360 nan 0.000 0.477 153 D N 0.387 120.789 120.400 0.004 0.000 2.103 153 D HA -0.163 4.475 4.640 -0.003 0.000 0.190 153 D C 1.919 178.140 176.300 -0.131 0.000 0.997 153 D CA 1.107 55.075 54.000 -0.053 0.000 0.833 153 D CB -0.086 40.756 40.800 0.070 0.000 0.961 153 D HN 0.178 nan 8.370 nan 0.000 0.447 154 I N 0.603 121.127 120.570 -0.077 0.000 2.133 154 I HA -0.244 3.923 4.170 -0.003 0.000 0.238 154 I C 2.593 178.667 176.117 -0.072 0.000 1.074 154 I CA 0.682 61.937 61.300 -0.075 0.000 1.342 154 I CB -0.374 37.587 38.000 -0.065 0.000 1.053 154 I HN -0.112 nan 8.210 nan 0.000 0.404 155 S N 0.429 116.082 115.700 -0.078 0.000 2.381 155 S HA -0.349 4.119 4.470 -0.003 0.000 0.230 155 S C 1.696 176.204 174.600 -0.154 0.000 1.052 155 S CA 2.353 60.501 58.200 -0.085 0.000 1.068 155 S CB -0.575 62.585 63.200 -0.067 0.000 0.918 155 S HN 0.563 nan 8.310 nan 0.000 0.448 156 D N -0.565 119.654 120.400 -0.301 0.000 2.097 156 D HA -0.169 4.469 4.640 -0.003 0.000 0.195 156 D C 1.816 177.985 176.300 -0.218 0.000 0.989 156 D CA 1.211 54.974 54.000 -0.396 0.000 0.827 156 D CB -0.262 39.932 40.800 -1.010 0.000 0.966 156 D HN 0.509 nan 8.370 nan 0.000 0.456 157 Y N 0.406 120.555 120.300 -0.252 0.000 2.145 157 Y HA -0.205 4.342 4.550 -0.003 0.000 0.286 157 Y C 2.180 177.990 175.900 -0.150 0.000 1.145 157 Y CA 1.666 59.660 58.100 -0.175 0.000 1.148 157 Y CB -0.370 37.976 38.460 -0.189 0.000 0.981 157 Y HN -0.070 nan 8.280 nan 0.000 0.507 158 V N 0.416 120.331 119.914 0.001 0.000 2.282 158 V HA -0.386 3.732 4.120 -0.003 0.000 0.249 158 V C 2.627 178.648 176.094 -0.121 0.000 1.057 158 V CA 2.011 64.283 62.300 -0.047 0.000 1.032 158 V CB -1.713 30.092 31.823 -0.029 0.000 0.645 158 V HN 0.572 nan 8.190 nan 0.000 0.447 159 A N -0.255 122.488 122.820 -0.129 0.000 1.898 159 A HA 0.053 4.371 4.320 -0.003 0.000 0.216 159 A C 2.271 179.767 177.584 -0.147 0.000 1.181 159 A CA 1.873 53.835 52.037 -0.125 0.000 0.620 159 A CB -0.608 18.324 19.000 -0.113 0.000 0.819 159 A HN 0.597 nan 8.150 nan 0.000 0.442 160 A N -1.275 121.429 122.820 -0.193 0.000 2.178 160 A HA 0.099 4.417 4.320 -0.003 0.000 0.211 160 A C 1.545 178.970 177.584 -0.265 0.000 1.157 160 A CA 0.960 52.880 52.037 -0.196 0.000 0.780 160 A CB -0.099 18.803 19.000 -0.163 0.000 0.828 160 A HN 0.528 nan 8.150 nan 0.000 0.476 161 N N -1.998 116.465 118.700 -0.396 0.000 2.211 161 N HA 0.247 4.984 4.740 -0.003 0.000 0.216 161 N C 1.105 176.463 175.510 -0.252 0.000 1.240 161 N CA 0.414 53.193 53.050 -0.452 0.000 0.895 161 N CB 0.445 38.311 38.487 -1.035 0.000 1.102 161 N HN 0.391 nan 8.380 nan 0.000 0.498 162 M N 0.135 119.624 119.600 -0.184 0.000 2.817 162 M HA 0.147 4.625 4.480 -0.003 0.000 0.228 162 M C 2.011 178.287 176.300 -0.040 0.000 1.644 162 M CA 0.258 55.530 55.300 -0.047 0.000 1.177 162 M CB 0.413 33.023 32.600 0.017 0.000 1.302 162 M HN -0.168 nan 8.290 nan 0.000 0.565 163 K N 1.315 121.676 120.400 -0.065 0.000 2.034 163 K HA -0.245 4.073 4.320 -0.003 0.000 0.214 163 K C 1.124 177.699 176.600 -0.042 0.000 1.051 163 K CA 2.479 58.733 56.287 -0.055 0.000 0.931 163 K CB -0.051 32.405 32.500 -0.073 0.000 0.715 163 K HN 0.154 nan 8.250 nan 0.000 0.446 164 D N -0.183 120.186 120.400 -0.050 0.000 2.123 164 D HA -0.141 4.497 4.640 -0.003 0.000 0.196 164 D C 1.711 177.997 176.300 -0.023 0.000 0.992 164 D CA 1.485 55.462 54.000 -0.038 0.000 0.833 164 D CB -0.129 40.642 40.800 -0.048 0.000 0.954 164 D HN 0.405 nan 8.370 nan 0.000 0.455 165 A N 0.106 122.914 122.820 -0.020 0.000 1.872 165 A HA -0.099 4.219 4.320 -0.003 0.000 0.214 165 A C 2.116 179.705 177.584 0.008 0.000 1.187 165 A CA 0.767 52.802 52.037 -0.003 0.000 0.614 165 A CB -0.653 18.350 19.000 0.006 0.000 0.826 165 A HN 0.102 nan 8.150 nan 0.000 0.442 166 I N 1.145 121.722 120.570 0.012 0.000 2.151 166 I HA -0.253 3.915 4.170 -0.003 0.000 0.243 166 I C 2.770 178.896 176.117 0.016 0.000 1.080 166 I CA 2.101 63.412 61.300 0.019 0.000 1.339 166 I CB -0.333 37.678 38.000 0.020 0.000 1.039 166 I HN 0.469 nan 8.210 nan 0.000 0.409 167 S N 0.016 115.720 115.700 0.006 0.000 2.547 167 S HA -0.066 4.402 4.470 -0.003 0.000 0.235 167 S C 1.837 176.445 174.600 0.013 0.000 0.980 167 S CA 0.619 58.825 58.200 0.010 0.000 0.941 167 S CB -0.361 62.840 63.200 0.000 0.000 0.763 167 S HN 0.478 nan 8.310 nan 0.000 0.532 168 R N 0.480 120.986 120.500 0.010 0.000 2.446 168 R HA 0.185 4.523 4.340 -0.003 0.000 0.254 168 R C -0.098 176.210 176.300 0.013 0.000 0.918 168 R CA 0.160 56.266 56.100 0.010 0.000 1.069 168 R CB 0.310 30.612 30.300 0.003 0.000 1.194 168 R HN 0.345 nan 8.270 nan 0.000 0.534 169 T N 1.069 115.634 114.554 0.018 0.000 2.855 169 T HA -0.045 4.303 4.350 -0.003 0.000 0.314 169 T C 0.520 175.233 174.700 0.023 0.000 1.077 169 T CA 0.022 62.134 62.100 0.021 0.000 1.095 169 T CB 1.275 70.159 68.868 0.027 0.000 0.987 169 T HN 0.006 nan 8.240 nan 0.000 0.546 170 S N 0.695 116.408 115.700 0.021 0.000 2.525 170 S HA 0.387 4.855 4.470 -0.003 0.000 0.285 170 S C 1.527 176.144 174.600 0.028 0.000 1.283 170 S CA 0.336 58.549 58.200 0.021 0.000 1.072 170 S CB -0.814 62.396 63.200 0.017 0.000 0.867 170 S HN 1.453 nan 8.310 nan 0.000 0.492 171 G N 2.837 111.655 108.800 0.030 0.000 2.176 171 G HA2 -0.217 3.741 3.960 -0.003 0.000 0.253 171 G HA3 -0.217 3.741 3.960 -0.003 0.000 0.253 171 G C 0.021 174.951 174.900 0.049 0.000 0.979 171 G CA 0.047 45.170 45.100 0.039 0.000 0.641 171 G HN 1.121 nan 8.290 nan 0.000 0.530 172 V N 1.253 121.195 119.914 0.046 0.000 2.432 172 V HA 0.660 4.778 4.120 -0.003 0.000 0.275 172 V C 1.465 177.593 176.094 0.056 0.000 1.043 172 V CA 0.329 62.662 62.300 0.056 0.000 0.925 172 V CB 0.971 32.822 31.823 0.047 0.000 0.985 172 V HN 0.547 nan 8.190 nan 0.000 0.466 173 G N 3.614 112.457 108.800 0.073 0.000 3.229 173 G HA2 0.161 4.119 3.960 -0.003 0.000 0.165 173 G HA3 0.161 4.119 3.960 -0.003 0.000 0.165 173 G C -0.363 174.581 174.900 0.074 0.000 1.753 173 G CA -0.360 44.783 45.100 0.072 0.000 1.054 173 G HN 0.643 nan 8.290 nan 0.000 0.544 174 D N -0.900 119.554 120.400 0.091 0.000 2.372 174 D HA 0.433 5.071 4.640 -0.003 0.000 0.243 174 D C -0.249 176.115 176.300 0.105 0.000 1.121 174 D CA 0.292 54.347 54.000 0.092 0.000 0.898 174 D CB 1.766 42.631 40.800 0.107 0.000 1.202 174 D HN 0.062 nan 8.370 nan 0.000 0.428 175 V N 2.106 122.053 119.914 0.055 0.000 2.444 175 V HA 0.292 4.410 4.120 -0.003 0.000 0.294 175 V C -0.415 175.639 176.094 -0.066 0.000 1.022 175 V CA -0.880 61.423 62.300 0.005 0.000 0.850 175 V CB 1.496 33.305 31.823 -0.024 0.000 0.992 175 V HN 0.408 nan 8.190 nan 0.000 0.426 176 Q N 4.369 124.066 119.800 -0.172 0.000 2.331 176 Q HA 0.467 4.805 4.340 -0.003 0.000 0.257 176 Q C -0.982 174.637 176.000 -0.636 0.000 0.957 176 Q CA -0.176 55.397 55.803 -0.382 0.000 0.923 176 Q CB 1.503 29.954 28.738 -0.478 0.000 1.212 176 Q HN 0.790 nan 8.270 nan 0.000 0.443 177 L N 6.148 127.113 121.223 -0.430 0.000 2.278 177 L HA 0.361 4.699 4.340 -0.003 0.000 0.287 177 L C -1.106 175.522 176.870 -0.403 0.000 1.072 177 L CA -0.412 54.223 54.840 -0.341 0.000 0.819 177 L CB 0.104 42.061 42.059 -0.170 0.000 1.176 177 L HN 0.788 nan 8.230 nan 0.000 0.435 178 F N 5.222 125.111 119.950 -0.102 0.000 2.464 178 F HA 0.495 5.020 4.527 -0.003 0.000 0.353 178 F C 1.152 176.934 175.800 -0.030 0.000 1.191 178 F CA 0.562 58.519 58.000 -0.070 0.000 1.147 178 F CB 0.412 39.410 39.000 -0.005 0.000 1.294 178 F HN 0.712 nan 8.300 nan 0.000 0.583 179 G N 1.335 110.189 108.800 0.089 0.000 2.343 179 G HA2 0.128 4.086 3.960 -0.003 0.000 0.562 179 G HA3 0.128 4.086 3.960 -0.003 0.000 0.562 179 G C -1.334 173.548 174.900 -0.031 0.000 1.269 179 G CA -1.099 44.021 45.100 0.034 0.000 1.011 179 G HN 0.509 nan 8.290 nan 0.000 0.498 180 S N -0.704 114.956 115.700 -0.066 0.000 2.568 180 S HA 0.644 5.112 4.470 -0.003 0.000 0.293 180 S C -0.024 174.519 174.600 -0.096 0.000 1.089 180 S CA -0.335 57.809 58.200 -0.094 0.000 0.945 180 S CB 1.856 64.964 63.200 -0.153 0.000 1.077 180 S HN 0.897 nan 8.310 nan 0.000 0.485 181 Q N 1.291 121.047 119.800 -0.073 0.000 2.373 181 Q HA 0.190 4.528 4.340 -0.003 0.000 0.255 181 Q C -1.162 174.867 176.000 0.048 0.000 0.980 181 Q CA -0.235 55.535 55.803 -0.056 0.000 0.882 181 Q CB 0.271 28.985 28.738 -0.039 0.000 1.249 181 Q HN 0.595 nan 8.270 nan 0.000 0.438 182 Y N 1.191 121.500 120.300 0.015 0.000 2.712 182 Y HA 0.199 4.746 4.550 -0.004 0.000 0.333 182 Y C 0.350 176.322 175.900 0.120 0.000 1.225 182 Y CA 0.127 58.267 58.100 0.066 0.000 1.499 182 Y CB 0.309 38.836 38.460 0.111 0.000 1.288 182 Y HN 0.669 nan 8.280 nan 0.000 0.575 183 A N 4.067 127.063 122.820 0.293 0.000 2.384 183 A HA 0.647 4.965 4.320 -0.003 0.000 0.312 183 A C -0.663 176.961 177.584 0.067 0.000 1.113 183 A CA -1.090 51.110 52.037 0.272 0.000 0.779 183 A CB 1.101 20.274 19.000 0.288 0.000 1.307 183 A HN 0.704 nan 8.150 nan 0.000 0.436 184 M N 1.453 120.941 119.600 -0.186 0.000 2.350 184 M HA 0.326 4.804 4.480 -0.003 0.000 0.338 184 M C -0.117 175.924 176.300 -0.431 0.000 1.559 184 M CA 0.309 55.195 55.300 -0.690 0.000 1.217 184 M CB -0.521 31.154 32.600 -1.542 0.000 1.808 184 M HN 0.514 nan 8.290 nan 0.000 0.458 185 R N 5.101 125.392 120.500 -0.348 0.000 2.229 185 R HA 0.554 4.892 4.340 -0.003 0.000 0.332 185 R C -1.339 174.645 176.300 -0.526 0.000 0.989 185 R CA -0.102 55.737 56.100 -0.435 0.000 0.842 185 R CB 0.303 30.424 30.300 -0.297 0.000 1.119 185 R HN 0.790 nan 8.270 nan 0.000 0.456 186 I N 4.395 124.640 120.570 -0.542 0.000 2.371 186 I HA 0.273 4.441 4.170 -0.003 0.000 0.282 186 I C -0.646 175.302 176.117 -0.282 0.000 1.031 186 I CA -0.396 60.717 61.300 -0.311 0.000 1.180 186 I CB 0.897 38.795 38.000 -0.170 0.000 1.336 186 I HN 0.446 nan 8.210 nan 0.000 0.467 187 W N 7.422 128.748 121.300 0.043 0.000 2.357 187 W HA 0.475 5.133 4.660 -0.003 0.000 0.317 187 W C 0.093 176.668 176.519 0.093 0.000 1.101 187 W CA -0.652 56.732 57.345 0.065 0.000 1.380 187 W CB 0.523 30.010 29.460 0.045 0.000 1.266 187 W HN 0.247 nan 8.180 nan 0.000 0.419 188 M N 3.309 123.106 119.600 0.328 0.000 2.242 188 M HA 0.103 4.581 4.480 -0.003 0.000 0.344 188 M C 0.384 176.829 176.300 0.243 0.000 1.140 188 M CA 0.245 55.715 55.300 0.282 0.000 1.160 188 M CB 0.554 33.356 32.600 0.337 0.000 1.491 188 M HN 0.325 nan 8.290 nan 0.000 0.459 189 N N 3.594 122.336 118.700 0.070 0.000 2.479 189 N HA 0.298 5.036 4.740 -0.003 0.000 0.261 189 N C -2.192 173.056 175.510 -0.436 0.000 0.979 189 N CA -1.697 51.215 53.050 -0.230 0.000 0.930 189 N CB 1.995 40.427 38.487 -0.092 0.000 1.172 189 N HN 0.320 nan 8.380 nan 0.000 0.499 190 P HA -0.073 nan 4.420 nan 0.000 0.217 190 P C 0.610 177.589 177.300 -0.534 0.000 1.150 190 P CA 1.123 63.603 63.100 -1.034 0.000 0.832 190 P CB 0.587 31.053 31.700 -2.057 0.000 0.787 191 N N 0.340 118.710 118.700 -0.550 0.000 2.166 191 N HA -0.129 4.609 4.740 -0.003 0.000 0.186 191 N C 1.737 177.101 175.510 -0.244 0.000 1.019 191 N CA 1.162 54.029 53.050 -0.305 0.000 0.856 191 N CB -0.584 37.760 38.487 -0.237 0.000 0.993 191 N HN 0.409 nan 8.380 nan 0.000 0.426 192 E N 0.453 120.530 120.200 -0.205 0.000 2.051 192 E HA 0.002 4.350 4.350 -0.003 0.000 0.189 192 E C 2.045 178.626 176.600 -0.032 0.000 0.979 192 E CA 0.345 56.679 56.400 -0.109 0.000 0.803 192 E CB -0.145 29.583 29.700 0.046 0.000 0.761 192 E HN 0.239 nan 8.360 nan 0.000 0.451 193 L N 1.845 123.075 121.223 0.012 0.000 2.012 193 L HA -0.223 4.115 4.340 -0.003 0.000 0.210 193 L C 2.593 179.498 176.870 0.058 0.000 1.073 193 L CA 1.142 56.049 54.840 0.110 0.000 0.748 193 L CB -0.518 41.624 42.059 0.138 0.000 0.891 193 L HN 0.261 nan 8.230 nan 0.000 0.431 194 N N 0.476 119.155 118.700 -0.034 0.000 2.104 194 N HA -0.297 4.441 4.740 -0.003 0.000 0.190 194 N C 1.963 177.353 175.510 -0.199 0.000 1.024 194 N CA 1.662 54.646 53.050 -0.110 0.000 0.853 194 N CB 0.029 38.376 38.487 -0.233 0.000 1.008 194 N HN 0.259 nan 8.380 nan 0.000 0.424 195 K N -0.099 120.120 120.400 -0.301 0.000 2.063 195 K HA -0.123 4.195 4.320 -0.003 0.000 0.208 195 K C 0.961 177.292 176.600 -0.448 0.000 1.048 195 K CA 1.468 57.475 56.287 -0.467 0.000 0.928 195 K CB -0.170 31.902 32.500 -0.714 0.000 0.713 195 K HN 0.204 nan 8.250 nan 0.000 0.442 196 F N 0.856 120.785 119.950 -0.035 0.000 2.645 196 F HA 0.173 4.698 4.527 -0.003 0.000 0.300 196 F C -0.150 175.647 175.800 -0.006 0.000 1.115 196 F CA -0.526 57.464 58.000 -0.017 0.000 1.355 196 F CB 0.275 39.272 39.000 -0.005 0.000 1.026 196 F HN 0.027 nan 8.300 nan 0.000 0.536 197 Q N 1.006 120.861 119.800 0.090 0.000 2.463 197 Q HA -0.162 4.175 4.340 -0.003 0.000 0.299 197 Q C -1.213 174.853 176.000 0.109 0.000 1.353 197 Q CA 0.569 56.416 55.803 0.073 0.000 0.828 197 Q CB -1.503 27.270 28.738 0.058 0.000 1.157 197 Q HN 0.492 nan 8.270 nan 0.000 0.436 198 L N -0.567 120.739 121.223 0.137 0.000 2.388 198 L HA 0.795 5.133 4.340 -0.003 0.000 0.264 198 L C 0.222 177.196 176.870 0.174 0.000 0.998 198 L CA -0.633 54.295 54.840 0.147 0.000 0.817 198 L CB 2.281 44.434 42.059 0.156 0.000 1.338 198 L HN 0.194 nan 8.230 nan 0.000 0.414 199 T N -2.305 112.351 114.554 0.170 0.000 2.907 199 T HA 0.421 4.769 4.350 -0.003 0.000 0.292 199 T C -2.353 172.458 174.700 0.184 0.000 1.043 199 T CA -2.100 60.128 62.100 0.213 0.000 1.003 199 T CB 2.036 71.023 68.868 0.199 0.000 1.084 199 T HN 0.215 nan 8.240 nan 0.000 0.483 200 P HA -0.188 nan 4.420 nan 0.000 0.219 200 P C 1.704 179.067 177.300 0.105 0.000 1.151 200 P CA 0.746 63.937 63.100 0.151 0.000 0.850 200 P CB -0.230 31.545 31.700 0.125 0.000 0.784 201 V N 0.471 120.446 119.914 0.102 0.000 2.287 201 V HA -0.261 3.857 4.120 -0.003 0.000 0.248 201 V C 2.016 178.147 176.094 0.062 0.000 1.053 201 V CA 2.282 64.624 62.300 0.072 0.000 1.027 201 V CB -1.282 30.580 31.823 0.066 0.000 0.646 201 V HN 0.157 nan 8.190 nan 0.000 0.447 202 D N 0.296 120.740 120.400 0.073 0.000 2.149 202 D HA -0.135 4.503 4.640 -0.003 0.000 0.198 202 D C 2.208 178.543 176.300 0.058 0.000 0.990 202 D CA 1.416 55.453 54.000 0.061 0.000 0.839 202 D CB -0.362 40.480 40.800 0.071 0.000 0.948 202 D HN 0.385 nan 8.370 nan 0.000 0.460 203 V N 1.558 121.517 119.914 0.075 0.000 2.261 203 V HA -0.233 3.885 4.120 -0.003 0.000 0.246 203 V C 2.620 178.748 176.094 0.056 0.000 1.047 203 V CA 1.239 63.581 62.300 0.071 0.000 1.015 203 V CB -0.430 31.448 31.823 0.090 0.000 0.642 203 V HN 0.153 nan 8.190 nan 0.000 0.446 204 I N 0.180 120.780 120.570 0.050 0.000 2.179 204 I HA -0.240 3.928 4.170 -0.003 0.000 0.242 204 I C 2.588 178.719 176.117 0.022 0.000 1.088 204 I CA 1.988 63.307 61.300 0.032 0.000 1.357 204 I CB -0.757 37.258 38.000 0.025 0.000 1.051 204 I HN 0.343 nan 8.210 nan 0.000 0.409 205 T N 0.866 115.433 114.554 0.022 0.000 2.720 205 T HA -0.204 4.144 4.350 -0.003 0.000 0.268 205 T C 2.032 176.737 174.700 0.009 0.000 1.037 205 T CA 1.480 63.588 62.100 0.012 0.000 1.144 205 T CB -0.415 68.462 68.868 0.015 0.000 0.864 205 T HN 0.489 nan 8.240 nan 0.000 0.444 206 A N 1.132 123.961 122.820 0.016 0.000 1.873 206 A HA 0.029 4.346 4.320 -0.003 0.000 0.215 206 A C 2.319 179.906 177.584 0.005 0.000 1.186 206 A CA 1.118 53.159 52.037 0.007 0.000 0.616 206 A CB -0.760 18.247 19.000 0.012 0.000 0.823 206 A HN 0.513 nan 8.150 nan 0.000 0.442 207 I N -0.429 120.159 120.570 0.031 0.000 2.226 207 I HA -0.274 3.894 4.170 -0.003 0.000 0.245 207 I C 2.371 178.504 176.117 0.026 0.000 1.100 207 I CA 1.576 62.910 61.300 0.057 0.000 1.374 207 I CB -0.239 37.833 38.000 0.121 0.000 1.057 207 I HN 0.280 nan 8.210 nan 0.000 0.413 208 K N 0.703 121.109 120.400 0.009 0.000 2.211 208 K HA -0.066 4.252 4.320 -0.003 0.000 0.203 208 K C 2.160 178.750 176.600 -0.017 0.000 1.050 208 K CA 1.308 57.590 56.287 -0.009 0.000 0.945 208 K CB -0.134 32.354 32.500 -0.020 0.000 0.732 208 K HN 0.321 nan 8.250 nan 0.000 0.451 209 A N 0.989 123.798 122.820 -0.019 0.000 1.935 209 A HA -0.086 4.232 4.320 -0.003 0.000 0.214 209 A C 1.783 179.343 177.584 -0.041 0.000 1.178 209 A CA 0.873 52.894 52.037 -0.026 0.000 0.640 209 A CB -0.005 18.983 19.000 -0.021 0.000 0.825 209 A HN 0.219 nan 8.150 nan 0.000 0.447 210 Q N -1.321 118.445 119.800 -0.057 0.000 2.384 210 Q HA 0.072 4.410 4.340 -0.003 0.000 0.207 210 Q C -0.199 175.716 176.000 -0.143 0.000 0.904 210 Q CA 0.116 55.862 55.803 -0.094 0.000 0.933 210 Q CB 0.215 28.889 28.738 -0.106 0.000 1.077 210 Q HN 0.554 nan 8.270 nan 0.000 0.522 211 N N 0.894 119.522 118.700 -0.120 0.000 2.626 211 N HA 0.458 5.196 4.740 -0.003 0.000 0.242 211 N C -1.710 173.787 175.510 -0.022 0.000 1.005 211 N CA -0.137 52.843 53.050 -0.117 0.000 0.905 211 N CB 1.109 39.518 38.487 -0.129 0.000 1.128 211 N HN 0.120 nan 8.380 nan 0.000 0.512 212 A N 1.863 124.670 122.820 -0.023 0.000 2.608 212 A HA 0.534 4.852 4.320 -0.003 0.000 0.292 212 A C -1.625 175.955 177.584 -0.006 0.000 1.066 212 A CA -0.762 51.270 52.037 -0.008 0.000 0.676 212 A CB 1.438 20.427 19.000 -0.018 0.000 1.277 212 A HN 0.410 nan 8.150 nan 0.000 0.413 213 Q N 0.583 120.382 119.800 -0.002 0.000 2.293 213 Q HA 0.576 4.914 4.340 -0.003 0.000 0.261 213 Q C -1.219 174.776 176.000 -0.008 0.000 0.960 213 Q CA -0.442 55.359 55.803 -0.003 0.000 0.882 213 Q CB 2.095 30.833 28.738 0.001 0.000 1.275 213 Q HN 0.534 nan 8.270 nan 0.000 0.445 214 V N 1.726 121.634 119.914 -0.010 0.000 2.444 214 V HA 0.464 4.582 4.120 -0.003 0.000 0.294 214 V C -0.277 175.812 176.094 -0.009 0.000 1.022 214 V CA -0.938 61.355 62.300 -0.011 0.000 0.850 214 V CB 1.677 33.492 31.823 -0.013 0.000 0.992 214 V HN 0.854 nan 8.190 nan 0.000 0.426 215 A N 3.860 126.674 122.820 -0.009 0.000 2.454 215 A HA 0.643 4.961 4.320 -0.003 0.000 0.260 215 A C 0.941 178.520 177.584 -0.008 0.000 1.106 215 A CA 0.535 52.568 52.037 -0.008 0.000 0.780 215 A CB 0.621 19.616 19.000 -0.008 0.000 1.044 215 A HN 1.440 nan 8.150 nan 0.000 0.498 216 A N 2.426 125.241 122.820 -0.008 0.000 2.508 216 A HA 0.574 4.892 4.320 -0.003 0.000 0.250 216 A C 1.327 178.906 177.584 -0.007 0.000 1.208 216 A CA 1.008 53.040 52.037 -0.008 0.000 0.960 216 A CB -0.743 18.253 19.000 -0.008 0.000 1.099 216 A HN 2.777 nan 8.150 nan 0.000 0.542 217 G N 0.190 108.986 108.800 -0.007 0.000 2.562 217 G HA2 -0.069 3.889 3.960 -0.003 0.000 0.250 217 G HA3 -0.069 3.889 3.960 -0.003 0.000 0.250 217 G C -0.277 174.620 174.900 -0.006 0.000 1.269 217 G CA 0.204 45.301 45.100 -0.006 0.000 0.919 217 G HN 1.619 nan 8.290 nan 0.000 0.574 218 Q N -1.396 118.401 119.800 -0.005 0.000 2.426 218 Q HA 0.639 4.976 4.340 -0.003 0.000 0.278 218 Q C -1.019 174.978 176.000 -0.005 0.000 1.007 218 Q CA -1.139 54.661 55.803 -0.005 0.000 0.850 218 Q CB 1.342 30.077 28.738 -0.005 0.000 1.427 218 Q HN 0.841 nan 8.270 nan 0.000 0.391 219 L N 1.665 122.886 121.223 -0.004 0.000 2.426 219 L HA 0.422 4.760 4.340 -0.003 0.000 0.271 219 L C 1.372 178.239 176.870 -0.004 0.000 1.169 219 L CA 1.057 55.894 54.840 -0.004 0.000 0.836 219 L CB 0.364 42.420 42.059 -0.004 0.000 1.112 219 L HN 1.093 nan 8.230 nan 0.000 0.465 220 G N 2.021 110.819 108.800 -0.004 0.000 2.203 220 G HA2 -0.231 3.727 3.960 -0.003 0.000 0.263 220 G HA3 -0.231 3.727 3.960 -0.003 0.000 0.263 220 G C 0.590 175.488 174.900 -0.003 0.000 1.012 220 G CA 0.082 45.180 45.100 -0.003 0.000 0.749 220 G HN 1.089 nan 8.290 nan 0.000 0.512 221 G N -0.411 108.387 108.800 -0.004 0.000 2.432 221 G HA2 0.519 4.477 3.960 -0.003 0.000 0.239 221 G HA3 0.519 4.477 3.960 -0.003 0.000 0.239 221 G C 0.647 175.545 174.900 -0.004 0.000 1.291 221 G CA 0.893 45.990 45.100 -0.004 0.000 0.863 221 G HN 1.313 nan 8.290 nan 0.000 0.560 222 T N 2.174 116.726 114.554 -0.003 0.000 2.934 222 T HA 0.256 4.604 4.350 -0.003 0.000 0.306 222 T C -1.485 173.213 174.700 -0.003 0.000 1.042 222 T CA -0.998 61.100 62.100 -0.003 0.000 1.145 222 T CB 0.391 69.257 68.868 -0.003 0.000 0.982 222 T HN 0.432 nan 8.240 nan 0.000 0.544 223 P HA 0.435 nan 4.420 nan 0.000 0.287 223 P C -2.612 174.686 177.300 -0.003 0.000 1.281 223 P CA -1.407 61.691 63.100 -0.003 0.000 0.781 223 P CB 0.532 32.230 31.700 -0.003 0.000 0.903 224 P HA 0.193 nan 4.420 nan 0.000 0.284 224 P C -0.281 177.017 177.300 -0.003 0.000 1.287 224 P CA -0.646 62.452 63.100 -0.003 0.000 0.824 224 P CB 0.704 32.403 31.700 -0.003 0.000 1.180 225 V N -1.800 118.112 119.914 -0.003 0.000 2.881 225 V HA 0.287 4.405 4.120 -0.003 0.000 0.303 225 V C 0.312 176.405 176.094 -0.002 0.000 1.070 225 V CA -0.676 61.622 62.300 -0.002 0.000 1.074 225 V CB -0.272 31.550 31.823 -0.002 0.000 1.012 225 V HN 0.358 nan 8.190 nan 0.000 0.482 226 K N 2.625 123.024 120.400 -0.002 0.000 2.448 226 K HA 0.432 4.750 4.320 -0.003 0.000 0.278 226 K C 1.179 177.778 176.600 -0.002 0.000 1.009 226 K CA 0.953 57.238 56.287 -0.002 0.000 0.995 226 K CB 0.500 32.999 32.500 -0.002 0.000 0.917 226 K HN 1.464 nan 8.250 nan 0.000 0.481 227 G N 1.674 110.473 108.800 -0.002 0.000 2.175 227 G HA2 -0.282 3.676 3.960 -0.003 0.000 0.244 227 G HA3 -0.282 3.676 3.960 -0.003 0.000 0.244 227 G C 0.031 174.930 174.900 -0.002 0.000 0.982 227 G CA 0.074 45.173 45.100 -0.002 0.000 0.641 227 G HN 0.556 nan 8.290 nan 0.000 0.527 228 Q N 0.483 120.281 119.800 -0.002 0.000 2.315 228 Q HA 0.494 4.832 4.340 -0.003 0.000 0.289 228 Q C 1.349 177.348 176.000 -0.002 0.000 1.044 228 Q CA 1.130 56.932 55.803 -0.002 0.000 0.920 228 Q CB 0.475 29.211 28.738 -0.002 0.000 1.214 228 Q HN 0.595 nan 8.270 nan 0.000 0.392 229 Q N 2.580 122.379 119.800 -0.002 0.000 2.369 229 Q HA 0.264 4.602 4.340 -0.003 0.000 0.254 229 Q C -0.458 175.541 176.000 -0.002 0.000 0.858 229 Q CA -0.091 55.711 55.803 -0.002 0.000 0.961 229 Q CB 0.695 29.432 28.738 -0.002 0.000 1.119 229 Q HN 0.650 nan 8.270 nan 0.000 0.538 230 L N 1.313 122.535 121.223 -0.002 0.000 2.296 230 L HA 0.474 4.812 4.340 -0.003 0.000 0.286 230 L C -1.147 175.722 176.870 -0.003 0.000 1.023 230 L CA -0.393 54.445 54.840 -0.002 0.000 0.812 230 L CB 1.347 43.404 42.059 -0.002 0.000 1.223 230 L HN -0.053 nan 8.230 nan 0.000 0.421 231 N N 4.885 123.583 118.700 -0.003 0.000 2.461 231 N HA 0.733 5.471 4.740 -0.003 0.000 0.284 231 N C -1.835 173.673 175.510 -0.003 0.000 1.049 231 N CA -0.213 52.835 53.050 -0.003 0.000 0.889 231 N CB 1.988 40.474 38.487 -0.003 0.000 1.365 231 N HN 0.854 nan 8.380 nan 0.000 0.499 232 A N 2.328 125.146 122.820 -0.003 0.000 2.574 232 A HA 0.530 4.847 4.320 -0.003 0.000 0.297 232 A C -0.650 176.931 177.584 -0.004 0.000 1.062 232 A CA -0.578 51.457 52.037 -0.004 0.000 0.686 232 A CB 1.527 20.525 19.000 -0.003 0.000 1.285 232 A HN 0.498 nan 8.150 nan 0.000 0.403 233 S N 0.476 116.173 115.700 -0.004 0.000 2.562 233 S HA 0.428 4.896 4.470 -0.003 0.000 0.281 233 S C 0.029 174.626 174.600 -0.005 0.000 1.333 233 S CA 0.070 58.267 58.200 -0.005 0.000 1.052 233 S CB -0.032 63.165 63.200 -0.005 0.000 0.884 233 S HN 0.432 nan 8.310 nan 0.000 0.506 234 I N 3.960 124.527 120.570 -0.005 0.000 2.359 234 I HA 0.338 4.506 4.170 -0.003 0.000 0.294 234 I C -0.553 175.560 176.117 -0.006 0.000 0.987 234 I CA -0.552 60.745 61.300 -0.006 0.000 1.225 234 I CB 1.023 39.019 38.000 -0.006 0.000 1.366 234 I HN 0.325 nan 8.210 nan 0.000 0.466 235 I N 5.364 125.930 120.570 -0.007 0.000 2.378 235 I HA 0.539 4.707 4.170 -0.003 0.000 0.291 235 I C 0.565 176.677 176.117 -0.009 0.000 0.992 235 I CA -0.137 61.159 61.300 -0.007 0.000 1.154 235 I CB 1.119 39.115 38.000 -0.006 0.000 1.315 235 I HN 0.675 nan 8.210 nan 0.000 0.448 236 A N 6.238 129.052 122.820 -0.010 0.000 3.936 236 A HA 0.467 4.785 4.320 -0.003 0.000 0.160 236 A C 0.142 177.717 177.584 -0.014 0.000 1.286 236 A CA -0.352 51.678 52.037 -0.012 0.000 1.236 236 A CB 0.073 19.066 19.000 -0.012 0.000 1.604 236 A HN 0.639 nan 8.150 nan 0.000 0.674 237 Q N 0.569 120.359 119.800 -0.017 0.000 2.286 237 Q HA 0.281 4.619 4.340 -0.003 0.000 0.290 237 Q C -0.824 175.167 176.000 -0.016 0.000 1.049 237 Q CA 0.562 56.352 55.803 -0.021 0.000 0.923 237 Q CB 0.319 29.042 28.738 -0.026 0.000 1.183 237 Q HN 0.559 nan 8.270 nan 0.000 0.383 238 T N 3.099 117.643 114.554 -0.017 0.000 2.855 238 T HA 0.347 4.695 4.350 -0.003 0.000 0.281 238 T C -0.162 174.534 174.700 -0.006 0.000 1.007 238 T CA -0.811 61.285 62.100 -0.007 0.000 1.009 238 T CB 0.993 69.860 68.868 -0.002 0.000 0.983 238 T HN 0.443 nan 8.240 nan 0.000 0.455 239 R N 1.598 122.108 120.500 0.017 0.000 2.640 239 R HA 0.213 4.550 4.340 -0.003 0.000 0.270 239 R C 0.141 176.476 176.300 0.059 0.000 1.024 239 R CA -0.162 55.966 56.100 0.047 0.000 1.085 239 R CB 0.132 30.488 30.300 0.094 0.000 0.963 239 R HN 0.495 nan 8.270 nan 0.000 0.426 240 L N 1.567 122.807 121.223 0.028 0.000 2.467 240 L HA 0.059 4.397 4.340 -0.003 0.000 0.270 240 L C 1.110 178.154 176.870 0.289 0.000 1.205 240 L CA 0.204 55.045 54.840 0.001 0.000 0.828 240 L CB 0.790 42.587 42.059 -0.438 0.000 1.101 240 L HN 0.786 nan 8.230 nan 0.000 0.479 241 T N -1.514 113.191 114.554 0.252 0.000 3.125 241 T HA 0.046 4.394 4.350 -0.003 0.000 0.252 241 T C 0.675 175.581 174.700 0.344 0.000 0.981 241 T CA -0.114 62.185 62.100 0.331 0.000 1.069 241 T CB 0.386 69.358 68.868 0.173 0.000 1.091 241 T HN 0.528 nan 8.240 nan 0.000 0.460 242 S N 1.750 117.582 115.700 0.220 0.000 2.585 242 S HA 0.197 4.665 4.470 -0.003 0.000 0.273 242 S C 1.437 176.159 174.600 0.205 0.000 1.339 242 S CA -0.276 58.028 58.200 0.173 0.000 1.028 242 S CB 1.348 64.611 63.200 0.105 0.000 0.906 242 S HN 0.320 nan 8.310 nan 0.000 0.528 243 T N 0.751 115.374 114.554 0.115 0.000 2.833 243 T HA -0.145 4.203 4.350 -0.003 0.000 0.269 243 T C 1.645 176.410 174.700 0.108 0.000 1.054 243 T CA 1.596 63.734 62.100 0.064 0.000 1.135 243 T CB -0.263 68.606 68.868 0.002 0.000 0.869 243 T HN 0.718 nan 8.240 nan 0.000 0.466 244 E N -0.030 120.224 120.200 0.090 0.000 2.107 244 E HA -0.110 4.238 4.350 -0.003 0.000 0.191 244 E C 2.050 178.686 176.600 0.060 0.000 0.982 244 E CA 0.987 57.427 56.400 0.067 0.000 0.809 244 E CB 0.022 29.750 29.700 0.047 0.000 0.756 244 E HN 0.633 nan 8.360 nan 0.000 0.459 245 E N -0.502 119.734 120.200 0.060 0.000 2.150 245 E HA -0.148 4.200 4.350 -0.003 0.000 0.193 245 E C 1.680 178.224 176.600 -0.093 0.000 0.985 245 E CA 0.750 57.132 56.400 -0.030 0.000 0.814 245 E CB -0.075 29.583 29.700 -0.071 0.000 0.752 245 E HN 0.308 nan 8.360 nan 0.000 0.466 246 F N 0.440 120.362 119.950 -0.046 0.000 2.407 246 F HA -0.009 4.516 4.527 -0.003 0.000 0.299 246 F C 2.352 178.127 175.800 -0.043 0.000 1.097 246 F CA 0.939 58.903 58.000 -0.060 0.000 1.422 246 F CB -0.244 38.691 39.000 -0.108 0.000 1.067 246 F HN 0.059 nan 8.300 nan 0.000 0.539 247 G N -0.189 108.688 108.800 0.127 0.000 2.408 247 G HA2 -0.202 3.756 3.960 -0.003 0.000 0.217 247 G HA3 -0.202 3.756 3.960 -0.003 0.000 0.217 247 G C 1.575 176.490 174.900 0.025 0.000 1.150 247 G CA 0.356 45.497 45.100 0.068 0.000 0.776 247 G HN 0.264 nan 8.290 nan 0.000 0.542 248 K N 0.193 120.594 120.400 0.001 0.000 2.444 248 K HA 0.201 4.519 4.320 -0.003 0.000 0.193 248 K C 0.314 176.888 176.600 -0.043 0.000 1.024 248 K CA -0.325 55.947 56.287 -0.025 0.000 1.077 248 K CB 0.250 32.732 32.500 -0.030 0.000 0.833 248 K HN 0.226 nan 8.250 nan 0.000 0.517 249 I N 2.808 123.353 120.570 -0.043 0.000 2.828 249 I HA -0.136 4.032 4.170 -0.003 0.000 0.292 249 I C 0.421 176.514 176.117 -0.039 0.000 1.206 249 I CA 0.146 61.416 61.300 -0.050 0.000 1.420 249 I CB -0.490 37.498 38.000 -0.021 0.000 1.368 249 I HN 0.089 nan 8.210 nan 0.000 0.556 250 L N 7.760 128.956 121.223 -0.045 0.000 2.380 250 L HA 0.180 4.518 4.340 -0.003 0.000 0.273 250 L C 0.553 177.401 176.870 -0.037 0.000 1.138 250 L CA 0.405 55.218 54.840 -0.046 0.000 0.832 250 L CB 0.701 42.734 42.059 -0.043 0.000 1.124 250 L HN 0.552 nan 8.230 nan 0.000 0.454 251 L N 3.190 124.385 121.223 -0.046 0.000 2.526 251 L HA 0.389 4.727 4.340 -0.003 0.000 0.210 251 L C 0.335 177.188 176.870 -0.028 0.000 1.048 251 L CA -0.034 54.788 54.840 -0.030 0.000 0.852 251 L CB 0.127 42.165 42.059 -0.034 0.000 1.128 251 L HN 0.570 nan 8.230 nan 0.000 0.482 252 K N 0.084 120.453 120.400 -0.051 0.000 2.542 252 K HA 0.479 4.797 4.320 -0.003 0.000 0.259 252 K C -1.762 174.810 176.600 -0.047 0.000 0.932 252 K CA -0.474 55.792 56.287 -0.036 0.000 0.820 252 K CB 2.880 35.366 32.500 -0.023 0.000 1.345 252 K HN -0.304 nan 8.250 nan 0.000 0.432 253 V N 4.062 123.960 119.914 -0.026 0.000 2.384 253 V HA 0.327 4.445 4.120 -0.003 0.000 0.287 253 V C -0.217 175.872 176.094 -0.009 0.000 1.020 253 V CA -1.028 61.258 62.300 -0.024 0.000 0.850 253 V CB 1.321 33.132 31.823 -0.019 0.000 0.987 253 V HN 0.719 nan 8.190 nan 0.000 0.436 254 N N 3.140 121.836 118.700 -0.007 0.000 2.408 254 N HA 0.214 4.952 4.740 -0.003 0.000 0.260 254 N C 0.879 176.393 175.510 0.007 0.000 1.242 254 N CA -0.467 52.589 53.050 0.010 0.000 0.959 254 N CB 1.237 39.738 38.487 0.024 0.000 1.201 254 N HN 0.584 nan 8.380 nan 0.000 0.511 255 Q N 0.301 120.108 119.800 0.011 0.000 2.084 255 Q HA -0.122 4.216 4.340 -0.003 0.000 0.202 255 Q C 0.570 176.573 176.000 0.006 0.000 0.978 255 Q CA 1.281 57.089 55.803 0.008 0.000 0.844 255 Q CB -0.170 28.574 28.738 0.009 0.000 0.898 255 Q HN 0.639 nan 8.270 nan 0.000 0.426 256 D N -0.880 119.526 120.400 0.010 0.000 2.355 256 D HA 0.021 4.659 4.640 -0.003 0.000 0.253 256 D C 1.033 177.336 176.300 0.005 0.000 1.187 256 D CA 0.818 54.823 54.000 0.008 0.000 0.900 256 D CB -0.107 40.700 40.800 0.013 0.000 0.915 256 D HN 0.358 nan 8.370 nan 0.000 0.516 257 G N 1.042 109.842 108.800 0.001 0.000 2.498 257 G HA2 -0.362 3.596 3.960 -0.003 0.000 0.229 257 G HA3 -0.362 3.596 3.960 -0.003 0.000 0.229 257 G C 0.508 175.402 174.900 -0.010 0.000 1.156 257 G CA 0.404 45.502 45.100 -0.004 0.000 0.680 257 G HN 0.867 nan 8.290 nan 0.000 0.512 258 S N 1.758 117.454 115.700 -0.007 0.000 2.546 258 S HA 0.497 4.965 4.470 -0.003 0.000 0.290 258 S C 0.370 174.948 174.600 -0.037 0.000 1.290 258 S CA 0.421 58.611 58.200 -0.017 0.000 1.069 258 S CB 0.705 63.903 63.200 -0.003 0.000 0.846 258 S HN 0.808 nan 8.310 nan 0.000 0.495 259 R N 1.896 122.361 120.500 -0.059 0.000 2.589 259 R HA 0.570 4.908 4.340 -0.003 0.000 0.293 259 R C -1.265 174.947 176.300 -0.148 0.000 0.963 259 R CA -1.020 55.030 56.100 -0.084 0.000 0.905 259 R CB 1.538 31.800 30.300 -0.063 0.000 1.144 259 R HN 0.495 nan 8.270 nan 0.000 0.459 260 V N 4.955 124.744 119.914 -0.207 0.000 2.385 260 V HA 0.247 4.364 4.120 -0.003 0.000 0.269 260 V C 0.323 176.291 176.094 -0.210 0.000 1.043 260 V CA -0.444 61.650 62.300 -0.343 0.000 0.906 260 V CB 0.749 32.232 31.823 -0.566 0.000 0.995 260 V HN 0.524 nan 8.190 nan 0.000 0.467 261 L N 4.081 125.199 121.223 -0.175 0.000 2.375 261 L HA 0.352 4.690 4.340 -0.003 0.000 0.268 261 L C 1.281 178.107 176.870 -0.074 0.000 1.058 261 L CA -0.702 54.081 54.840 -0.096 0.000 0.803 261 L CB 0.977 42.998 42.059 -0.064 0.000 1.212 261 L HN 0.487 nan 8.230 nan 0.000 0.451 262 L N 1.482 122.691 121.223 -0.023 0.000 2.079 262 L HA -0.166 4.172 4.340 -0.003 0.000 0.210 262 L C 2.611 179.500 176.870 0.032 0.000 1.081 262 L CA 1.711 56.562 54.840 0.018 0.000 0.752 262 L CB -0.819 41.272 42.059 0.054 0.000 0.896 262 L HN 0.638 nan 8.230 nan 0.000 0.433 263 R N -0.528 119.987 120.500 0.024 0.000 2.204 263 R HA -0.212 4.126 4.340 -0.003 0.000 0.253 263 R C 1.538 177.860 176.300 0.037 0.000 1.172 263 R CA 1.984 58.104 56.100 0.033 0.000 0.994 263 R CB -0.326 29.986 30.300 0.019 0.000 0.874 263 R HN 0.581 nan 8.270 nan 0.000 0.462 264 D N -0.479 119.928 120.400 0.012 0.000 2.214 264 D HA -0.104 4.534 4.640 -0.003 0.000 0.217 264 D C 1.826 178.195 176.300 0.116 0.000 0.973 264 D CA 1.480 55.502 54.000 0.037 0.000 0.880 264 D CB -0.235 40.518 40.800 -0.079 0.000 1.031 264 D HN 0.275 nan 8.370 nan 0.000 0.468 265 V N -1.196 118.784 119.914 0.111 0.000 3.141 265 V HA 0.378 4.496 4.120 -0.003 0.000 0.265 265 V C 0.675 176.844 176.094 0.126 0.000 1.126 265 V CA 0.592 62.990 62.300 0.164 0.000 1.141 265 V CB -0.735 31.193 31.823 0.175 0.000 0.743 265 V HN 0.168 nan 8.190 nan 0.000 0.492 266 A N -0.536 122.354 122.820 0.117 0.000 2.606 266 A HA 0.677 4.995 4.320 -0.003 0.000 0.293 266 A C -0.734 176.934 177.584 0.140 0.000 1.082 266 A CA -0.917 51.204 52.037 0.140 0.000 0.685 266 A CB 1.530 20.612 19.000 0.136 0.000 1.284 266 A HN 0.228 nan 8.150 nan 0.000 0.408 267 K N 0.764 121.281 120.400 0.195 0.000 2.172 267 K HA 0.687 5.005 4.320 -0.003 0.000 0.276 267 K C -1.402 175.327 176.600 0.215 0.000 1.013 267 K CA -0.267 56.136 56.287 0.194 0.000 0.913 267 K CB 0.596 33.216 32.500 0.200 0.000 1.055 267 K HN 0.545 nan 8.250 nan 0.000 0.461 268 I N 4.703 125.355 120.570 0.138 0.000 2.411 268 I HA 0.222 4.390 4.170 -0.003 0.000 0.284 268 I C -0.671 175.482 176.117 0.060 0.000 1.012 268 I CA -0.340 61.000 61.300 0.067 0.000 1.119 268 I CB 1.513 39.535 38.000 0.036 0.000 1.261 268 I HN 0.658 nan 8.210 nan 0.000 0.448 269 E N 5.904 126.139 120.200 0.058 0.000 2.390 269 E HA 0.469 4.817 4.350 -0.003 0.000 0.277 269 E C -1.511 175.054 176.600 -0.058 0.000 0.939 269 E CA -1.145 55.274 56.400 0.031 0.000 0.769 269 E CB 2.255 32.026 29.700 0.119 0.000 1.251 269 E HN 0.196 nan 8.360 nan 0.000 0.450 270 L N 1.696 122.822 121.223 -0.161 0.000 2.462 270 L HA 0.543 4.881 4.340 -0.003 0.000 0.272 270 L C 0.261 176.953 176.870 -0.296 0.000 1.166 270 L CA 1.402 56.044 54.840 -0.331 0.000 0.880 270 L CB 0.696 42.430 42.059 -0.543 0.000 1.142 270 L HN 0.793 nan 8.230 nan 0.000 0.473 271 G N 2.307 111.052 108.800 -0.092 0.000 2.600 271 G HA2 0.502 4.460 3.960 -0.003 0.000 0.293 271 G HA3 0.502 4.460 3.960 -0.003 0.000 0.293 271 G C -0.579 174.463 174.900 0.236 0.000 1.408 271 G CA -0.346 44.904 45.100 0.249 0.000 0.782 271 G HN 0.799 nan 8.290 nan 0.000 0.482 272 G N -0.850 107.949 108.800 -0.003 0.000 2.391 272 G HA2 0.307 4.265 3.960 -0.003 0.000 0.234 272 G HA3 0.307 4.265 3.960 -0.003 0.000 0.234 272 G C 0.703 175.355 174.900 -0.413 0.000 1.284 272 G CA 0.726 45.541 45.100 -0.475 0.000 0.873 272 G HN 0.767 nan 8.290 nan 0.000 0.549 273 E N 1.148 121.209 120.200 -0.231 0.000 2.031 273 E HA -0.119 4.229 4.350 -0.003 0.000 0.193 273 E C 0.885 177.268 176.600 -0.362 0.000 0.994 273 E CA 1.281 57.582 56.400 -0.165 0.000 0.800 273 E CB 0.063 29.744 29.700 -0.032 0.000 0.752 273 E HN 0.717 nan 8.360 nan 0.000 0.447 274 N N -1.064 117.456 118.700 -0.301 0.000 2.397 274 N HA 0.000 4.738 4.740 -0.003 0.000 0.291 274 N C -1.274 174.131 175.510 -0.175 0.000 1.065 274 N CA -0.464 52.459 53.050 -0.212 0.000 0.884 274 N CB 0.550 38.977 38.487 -0.100 0.000 1.551 274 N HN 0.008 nan 8.380 nan 0.000 0.487 275 Y N 0.863 121.184 120.300 0.034 0.000 2.506 275 Y HA 0.077 4.625 4.550 -0.003 0.000 0.333 275 Y C 1.102 177.031 175.900 0.049 0.000 1.177 275 Y CA -0.191 57.943 58.100 0.057 0.000 1.292 275 Y CB -0.076 38.430 38.460 0.077 0.000 1.124 275 Y HN 0.525 nan 8.280 nan 0.000 0.507 276 D N 0.432 120.912 120.400 0.132 0.000 2.091 276 D HA -0.029 4.609 4.640 -0.003 0.000 0.199 276 D C 0.503 176.874 176.300 0.119 0.000 0.980 276 D CA 1.209 55.279 54.000 0.117 0.000 0.831 276 D CB 0.287 41.145 40.800 0.097 0.000 0.987 276 D HN 0.235 nan 8.370 nan 0.000 0.460 277 I N 2.391 123.032 120.570 0.118 0.000 2.307 277 I HA 0.215 4.383 4.170 -0.003 0.000 0.289 277 I C -0.099 176.085 176.117 0.112 0.000 1.021 277 I CA -0.496 60.889 61.300 0.142 0.000 1.224 277 I CB 0.978 39.093 38.000 0.192 0.000 1.376 277 I HN -0.090 nan 8.210 nan 0.000 0.470 278 I N 3.900 124.519 120.570 0.082 0.000 2.378 278 I HA 0.847 5.015 4.170 -0.003 0.000 0.291 278 I C -0.176 175.921 176.117 -0.034 0.000 0.992 278 I CA -0.534 60.791 61.300 0.040 0.000 1.154 278 I CB 1.784 39.808 38.000 0.039 0.000 1.315 278 I HN 0.474 nan 8.210 nan 0.000 0.448 279 A N 4.417 127.194 122.820 -0.072 0.000 2.324 279 A HA 0.755 5.073 4.320 -0.003 0.000 0.330 279 A C -0.644 176.753 177.584 -0.311 0.000 1.165 279 A CA -0.464 51.413 52.037 -0.268 0.000 0.813 279 A CB 1.297 20.164 19.000 -0.222 0.000 1.197 279 A HN 0.804 nan 8.150 nan 0.000 0.484 280 E N 0.403 120.298 120.200 -0.508 0.000 2.210 280 E HA 0.563 4.911 4.350 -0.003 0.000 0.266 280 E C -1.889 174.492 176.600 -0.365 0.000 0.883 280 E CA -0.275 55.936 56.400 -0.315 0.000 0.761 280 E CB 1.443 31.015 29.700 -0.213 0.000 1.156 280 E HN 0.452 nan 8.360 nan 0.000 0.412 281 F N 4.762 124.592 119.950 -0.201 0.000 2.430 281 F HA 0.377 4.902 4.527 -0.003 0.000 0.362 281 F C -0.153 175.657 175.800 0.016 0.000 1.103 281 F CA -0.552 57.445 58.000 -0.005 0.000 1.045 281 F CB 0.283 39.381 39.000 0.163 0.000 1.276 281 F HN 0.670 nan 8.300 nan 0.000 0.444 282 N N 4.667 123.100 118.700 -0.445 0.000 2.705 282 N HA -0.237 4.501 4.740 -0.003 0.000 0.255 282 N C 1.051 176.530 175.510 -0.052 0.000 1.008 282 N CA 0.572 53.450 53.050 -0.286 0.000 0.742 282 N CB -0.799 37.453 38.487 -0.390 0.000 0.906 282 N HN 1.216 nan 8.380 nan 0.000 0.541 283 G N -0.482 108.315 108.800 -0.005 0.000 2.245 283 G HA2 -0.407 3.551 3.960 -0.003 0.000 0.264 283 G HA3 -0.407 3.551 3.960 -0.003 0.000 0.264 283 G C 0.010 174.929 174.900 0.032 0.000 0.985 283 G CA 0.821 45.950 45.100 0.048 0.000 0.625 283 G HN 0.588 nan 8.290 nan 0.000 0.536 284 Q N 1.580 121.411 119.800 0.052 0.000 2.259 284 Q HA 0.451 4.789 4.340 -0.003 0.000 0.249 284 Q C -2.133 173.901 176.000 0.057 0.000 0.914 284 Q CA -2.085 53.762 55.803 0.074 0.000 0.904 284 Q CB 1.276 30.095 28.738 0.135 0.000 1.213 284 Q HN 0.208 nan 8.270 nan 0.000 0.428 285 P HA -0.036 nan 4.420 nan 0.000 0.260 285 P C -1.526 175.794 177.300 0.034 0.000 1.185 285 P CA 0.466 63.578 63.100 0.022 0.000 0.763 285 P CB 0.510 32.222 31.700 0.020 0.000 0.776 286 A N 2.651 125.484 122.820 0.021 0.000 2.566 286 A HA 0.725 5.043 4.320 -0.003 0.000 0.292 286 A C -0.536 177.085 177.584 0.062 0.000 1.112 286 A CA -0.513 51.558 52.037 0.056 0.000 0.707 286 A CB 1.855 20.934 19.000 0.132 0.000 1.302 286 A HN 0.442 nan 8.150 nan 0.000 0.409 287 S N -1.444 114.322 115.700 0.110 0.000 2.740 287 S HA 0.942 5.410 4.470 -0.003 0.000 0.300 287 S C -0.175 174.582 174.600 0.261 0.000 1.147 287 S CA 0.134 58.428 58.200 0.158 0.000 0.871 287 S CB 1.855 65.092 63.200 0.062 0.000 1.173 287 S HN 2.319 nan 8.310 nan 0.000 0.510 288 G N 0.135 109.095 108.800 0.267 0.000 2.506 288 G HA2 0.524 4.482 3.960 -0.003 0.000 0.292 288 G HA3 0.524 4.482 3.960 -0.003 0.000 0.292 288 G C -2.403 172.581 174.900 0.141 0.000 1.425 288 G CA -0.698 44.515 45.100 0.189 0.000 0.788 288 G HN 0.738 nan 8.290 nan 0.000 0.490 289 L N 0.681 121.899 121.223 -0.008 0.000 2.376 289 L HA 0.607 4.945 4.340 -0.003 0.000 0.275 289 L C 0.572 177.328 176.870 -0.189 0.000 0.987 289 L CA -0.920 53.846 54.840 -0.123 0.000 0.828 289 L CB 2.318 44.317 42.059 -0.099 0.000 1.249 289 L HN 0.755 nan 8.230 nan 0.000 0.409 290 G N 4.114 112.675 108.800 -0.397 0.000 2.457 290 G HA2 0.527 4.485 3.960 -0.003 0.000 0.316 290 G HA3 0.527 4.485 3.960 -0.003 0.000 0.316 290 G C -0.454 174.314 174.900 -0.220 0.000 1.030 290 G CA -0.246 44.441 45.100 -0.688 0.000 1.073 290 G HN 0.390 nan 8.290 nan 0.000 0.430 291 I N 1.931 122.486 120.570 -0.026 0.000 2.325 291 I HA 0.212 4.380 4.170 -0.003 0.000 0.291 291 I C 0.512 176.810 176.117 0.302 0.000 1.019 291 I CA -0.099 61.279 61.300 0.130 0.000 1.302 291 I CB 1.423 39.471 38.000 0.080 0.000 1.401 291 I HN 0.259 nan 8.210 nan 0.000 0.485 292 K N 5.775 126.357 120.400 0.305 0.000 2.156 292 K HA 0.433 4.751 4.320 -0.003 0.000 0.271 292 K C -0.707 175.991 176.600 0.163 0.000 0.995 292 K CA -0.753 55.689 56.287 0.257 0.000 0.890 292 K CB 1.263 33.891 32.500 0.212 0.000 1.073 292 K HN 0.439 nan 8.250 nan 0.000 0.454 293 L N 3.530 124.842 121.223 0.147 0.000 2.361 293 L HA 0.231 4.569 4.340 -0.003 0.000 0.278 293 L C -0.269 176.656 176.870 0.092 0.000 1.113 293 L CA 0.057 54.965 54.840 0.114 0.000 0.849 293 L CB 0.452 42.582 42.059 0.118 0.000 1.155 293 L HN 0.798 nan 8.230 nan 0.000 0.452 294 A N 4.140 127.005 122.820 0.075 0.000 2.511 294 A HA 0.251 4.569 4.320 -0.003 0.000 0.242 294 A C 0.605 178.221 177.584 0.054 0.000 1.069 294 A CA -0.181 51.892 52.037 0.060 0.000 0.763 294 A CB -0.250 18.778 19.000 0.048 0.000 1.001 294 A HN 0.822 nan 8.150 nan 0.000 0.498 295 T N 1.765 116.348 114.554 0.048 0.000 2.822 295 T HA 0.393 4.740 4.350 -0.003 0.000 0.288 295 T C 1.537 176.257 174.700 0.033 0.000 0.991 295 T CA 0.977 63.102 62.100 0.042 0.000 1.176 295 T CB 0.266 69.153 68.868 0.033 0.000 0.951 295 T HN 2.107 nan 8.240 nan 0.000 0.526 296 G N 1.871 110.693 108.800 0.036 0.000 2.241 296 G HA2 -0.082 3.875 3.960 -0.003 0.000 0.244 296 G HA3 -0.082 3.875 3.960 -0.003 0.000 0.244 296 G C 0.318 175.235 174.900 0.029 0.000 0.998 296 G CA -0.084 45.032 45.100 0.026 0.000 0.621 296 G HN 1.242 nan 8.290 nan 0.000 0.519 297 A N 0.038 122.880 122.820 0.037 0.000 2.351 297 A HA 0.607 4.925 4.320 -0.003 0.000 0.257 297 A C 0.506 178.117 177.584 0.045 0.000 1.087 297 A CA 0.323 52.382 52.037 0.037 0.000 0.798 297 A CB 0.367 19.390 19.000 0.040 0.000 1.033 297 A HN 0.679 nan 8.150 nan 0.000 0.488 298 N N 1.275 119.998 118.700 0.039 0.000 2.420 298 N HA 0.234 4.972 4.740 -0.003 0.000 0.262 298 N C 1.128 176.667 175.510 0.049 0.000 1.144 298 N CA 0.521 53.596 53.050 0.042 0.000 0.952 298 N CB 1.085 39.590 38.487 0.030 0.000 1.081 298 N HN 0.608 nan 8.380 nan 0.000 0.480 299 A N 4.213 127.071 122.820 0.063 0.000 1.997 299 A HA -0.196 4.122 4.320 -0.003 0.000 0.221 299 A C 1.887 179.504 177.584 0.055 0.000 1.172 299 A CA 1.180 53.261 52.037 0.074 0.000 0.645 299 A CB -0.371 18.686 19.000 0.094 0.000 0.813 299 A HN 0.657 nan 8.150 nan 0.000 0.454 300 L N -0.359 120.887 121.223 0.037 0.000 2.084 300 L HA -0.038 4.300 4.340 -0.003 0.000 0.202 300 L C 1.794 178.673 176.870 0.015 0.000 1.074 300 L CA 2.068 56.920 54.840 0.020 0.000 0.757 300 L CB -0.528 41.535 42.059 0.006 0.000 0.918 300 L HN 0.311 nan 8.230 nan 0.000 0.444 301 D N -1.268 119.141 120.400 0.016 0.000 2.144 301 D HA -0.165 4.473 4.640 -0.003 0.000 0.199 301 D C 2.001 178.312 176.300 0.017 0.000 0.984 301 D CA 1.719 55.726 54.000 0.012 0.000 0.834 301 D CB -0.288 40.519 40.800 0.013 0.000 0.955 301 D HN 0.311 nan 8.370 nan 0.000 0.465 302 T N 0.927 115.498 114.554 0.028 0.000 2.684 302 T HA -0.149 4.199 4.350 -0.003 0.000 0.267 302 T C 2.058 176.778 174.700 0.033 0.000 1.036 302 T CA 1.725 63.846 62.100 0.035 0.000 1.148 302 T CB -0.346 68.551 68.868 0.049 0.000 0.863 302 T HN 0.226 nan 8.240 nan 0.000 0.436 303 A N 1.278 124.117 122.820 0.032 0.000 1.972 303 A HA 0.152 4.470 4.320 -0.003 0.000 0.219 303 A C 2.610 180.196 177.584 0.003 0.000 1.169 303 A CA 1.824 53.875 52.037 0.023 0.000 0.635 303 A CB -1.003 18.008 19.000 0.019 0.000 0.810 303 A HN 0.517 nan 8.150 nan 0.000 0.446 304 A N -0.091 122.727 122.820 -0.002 0.000 1.877 304 A HA 0.174 4.492 4.320 -0.003 0.000 0.216 304 A C 2.510 180.092 177.584 -0.002 0.000 1.186 304 A CA 2.035 54.065 52.037 -0.012 0.000 0.620 304 A CB -1.013 17.980 19.000 -0.012 0.000 0.822 304 A HN 1.038 nan 8.150 nan 0.000 0.443 305 A N -0.181 122.645 122.820 0.009 0.000 1.930 305 A HA -0.041 4.277 4.320 -0.003 0.000 0.217 305 A C 2.108 179.706 177.584 0.024 0.000 1.175 305 A CA 1.430 53.476 52.037 0.015 0.000 0.627 305 A CB -0.604 18.407 19.000 0.017 0.000 0.815 305 A HN 0.492 nan 8.150 nan 0.000 0.443 306 I N -1.036 119.553 120.570 0.031 0.000 2.127 306 I HA -0.271 3.897 4.170 -0.003 0.000 0.241 306 I C 2.679 178.830 176.117 0.056 0.000 1.075 306 I CA 1.787 63.115 61.300 0.047 0.000 1.334 306 I CB -0.241 37.793 38.000 0.056 0.000 1.040 306 I HN 0.249 nan 8.210 nan 0.000 0.405 307 R N 1.401 121.922 120.500 0.035 0.000 2.105 307 R HA -0.130 4.208 4.340 -0.003 0.000 0.239 307 R C 2.134 178.447 176.300 0.022 0.000 1.135 307 R CA 1.854 57.968 56.100 0.024 0.000 0.967 307 R CB -0.724 29.546 30.300 -0.049 0.000 0.861 307 R HN 0.400 nan 8.270 nan 0.000 0.442 308 A N -0.158 122.669 122.820 0.011 0.000 1.898 308 A HA -0.118 4.200 4.320 -0.003 0.000 0.216 308 A C 2.079 179.674 177.584 0.017 0.000 1.181 308 A CA 1.598 53.638 52.037 0.006 0.000 0.620 308 A CB -0.542 18.459 19.000 0.002 0.000 0.819 308 A HN 0.406 nan 8.150 nan 0.000 0.442 309 E N -0.293 119.926 120.200 0.032 0.000 2.051 309 E HA -0.146 4.202 4.350 -0.003 0.000 0.192 309 E C 1.761 178.394 176.600 0.056 0.000 0.991 309 E CA 0.928 57.354 56.400 0.044 0.000 0.799 309 E CB -0.290 29.438 29.700 0.047 0.000 0.748 309 E HN 0.323 nan 8.360 nan 0.000 0.449 310 L N 0.457 121.721 121.223 0.069 0.000 2.042 310 L HA -0.101 4.237 4.340 -0.003 0.000 0.210 310 L C 2.325 179.192 176.870 -0.006 0.000 1.076 310 L CA 2.017 56.906 54.840 0.083 0.000 0.749 310 L CB -1.572 40.571 42.059 0.139 0.000 0.893 310 L HN 0.241 nan 8.230 nan 0.000 0.432 311 A N -1.250 121.563 122.820 -0.012 0.000 1.940 311 A HA -0.212 4.106 4.320 -0.003 0.000 0.219 311 A C 2.296 179.824 177.584 -0.094 0.000 1.176 311 A CA 1.483 53.481 52.037 -0.065 0.000 0.631 311 A CB -0.384 18.592 19.000 -0.040 0.000 0.814 311 A HN 0.260 nan 8.150 nan 0.000 0.446 312 K N -1.139 119.242 120.400 -0.032 0.000 2.365 312 K HA 0.099 4.417 4.320 -0.003 0.000 0.199 312 K C 1.616 178.249 176.600 0.056 0.000 1.045 312 K CA 0.908 57.201 56.287 0.009 0.000 0.962 312 K CB -0.162 32.373 32.500 0.058 0.000 0.759 312 K HN 0.612 nan 8.250 nan 0.000 0.469 313 M N -0.514 119.091 119.600 0.009 0.000 2.501 313 M HA -0.012 4.466 4.480 -0.003 0.000 0.261 313 M C 1.445 177.576 176.300 -0.282 0.000 1.129 313 M CA 0.715 56.079 55.300 0.108 0.000 1.126 313 M CB 0.191 32.944 32.600 0.255 0.000 1.359 313 M HN 0.006 nan 8.290 nan 0.000 0.471 314 E N 0.780 120.528 120.200 -0.755 0.000 2.085 314 E HA -0.186 4.162 4.350 -0.003 0.000 0.194 314 E C -0.935 175.271 176.600 -0.657 0.000 0.994 314 E CA 1.294 56.957 56.400 -1.228 0.000 0.801 314 E CB -1.129 28.102 29.700 -0.783 0.000 0.743 314 E HN 0.360 nan 8.360 nan 0.000 0.453 315 P HA -0.149 nan 4.420 nan 0.000 0.226 315 P C 0.122 177.035 177.300 -0.645 0.000 1.146 315 P CA 1.189 63.900 63.100 -0.650 0.000 0.773 315 P CB -0.015 31.144 31.700 -0.902 0.000 0.772 316 F N -4.278 115.688 119.950 0.027 0.000 2.682 316 F HA 0.240 4.765 4.527 -0.004 0.000 0.308 316 F C 0.888 176.878 175.800 0.316 0.000 1.093 316 F CA -0.823 57.271 58.000 0.156 0.000 1.244 316 F CB -0.086 39.012 39.000 0.164 0.000 1.052 316 F HN -0.287 nan 8.300 nan 0.000 0.573 317 F N 4.003 124.029 119.950 0.127 0.000 2.602 317 F HA 0.131 4.656 4.527 -0.003 0.000 0.367 317 F C -1.388 174.357 175.800 -0.092 0.000 1.126 317 F CA -3.191 54.778 58.000 -0.052 0.000 1.321 317 F CB -0.448 38.489 39.000 -0.105 0.000 1.094 317 F HN -0.122 nan 8.300 nan 0.000 0.594 318 P HA 0.032 nan 4.420 nan 0.000 0.274 318 P C -0.506 176.765 177.300 -0.048 0.000 1.237 318 P CA -0.451 62.610 63.100 -0.065 0.000 0.793 318 P CB 0.706 32.312 31.700 -0.157 0.000 0.977 319 S N 0.214 115.905 115.700 -0.014 0.000 2.596 319 S HA 0.292 4.760 4.470 -0.003 0.000 0.298 319 S C 1.356 175.938 174.600 -0.030 0.000 1.255 319 S CA 1.117 59.313 58.200 -0.007 0.000 1.083 319 S CB -1.526 61.675 63.200 0.003 0.000 0.837 319 S HN 0.896 nan 8.310 nan 0.000 0.499 320 G N 3.963 112.751 108.800 -0.021 0.000 2.307 320 G HA2 -0.178 3.780 3.960 -0.003 0.000 0.210 320 G HA3 -0.178 3.780 3.960 -0.003 0.000 0.210 320 G C 0.098 174.966 174.900 -0.052 0.000 1.005 320 G CA -0.141 44.940 45.100 -0.031 0.000 0.634 320 G HN 0.698 nan 8.290 nan 0.000 0.496 321 L N 1.309 122.472 121.223 -0.099 0.000 2.453 321 L HA 0.484 4.822 4.340 -0.003 0.000 0.272 321 L C 0.504 177.367 176.870 -0.011 0.000 1.182 321 L CA 0.500 55.231 54.840 -0.181 0.000 0.858 321 L CB 1.232 42.971 42.059 -0.533 0.000 1.120 321 L HN 0.334 nan 8.230 nan 0.000 0.474 322 K N 3.740 124.105 120.400 -0.057 0.000 2.464 322 K HA 0.545 4.863 4.320 -0.003 0.000 0.253 322 K C -1.216 175.339 176.600 -0.074 0.000 0.933 322 K CA -0.717 55.572 56.287 0.004 0.000 0.801 322 K CB 1.956 34.434 32.500 -0.037 0.000 1.271 322 K HN 0.408 nan 8.250 nan 0.000 0.430 323 I N 4.040 124.581 120.570 -0.049 0.000 2.385 323 I HA 0.302 4.470 4.170 -0.003 0.000 0.294 323 I C -0.121 175.693 176.117 -0.504 0.000 0.988 323 I CA -0.919 60.224 61.300 -0.262 0.000 1.265 323 I CB 1.575 39.462 38.000 -0.188 0.000 1.388 323 I HN 0.326 nan 8.210 nan 0.000 0.480 324 V N 3.013 122.485 119.914 -0.736 0.000 3.001 324 V HA 0.501 4.619 4.120 -0.003 0.000 0.314 324 V C -1.295 174.278 176.094 -0.868 0.000 1.099 324 V CA -0.780 61.063 62.300 -0.763 0.000 0.989 324 V CB 1.769 32.960 31.823 -1.054 0.000 1.040 324 V HN 0.569 nan 8.190 nan 0.000 0.434 325 Y N 2.356 122.574 120.300 -0.135 0.000 2.747 325 Y HA 0.481 5.029 4.550 -0.003 0.000 0.362 325 Y C -1.740 174.152 175.900 -0.013 0.000 1.026 325 Y CA -1.735 56.314 58.100 -0.086 0.000 1.135 325 Y CB 1.250 39.678 38.460 -0.053 0.000 1.175 325 Y HN 0.555 nan 8.280 nan 0.000 0.643 326 P HA -0.088 nan 4.420 nan 0.000 0.242 326 P C -0.652 176.743 177.300 0.158 0.000 1.197 326 P CA 1.003 64.220 63.100 0.196 0.000 0.765 326 P CB 0.407 32.266 31.700 0.265 0.000 0.936 327 Y N -0.053 120.194 120.300 -0.089 0.000 2.390 327 Y HA 0.511 5.059 4.550 -0.004 0.000 0.324 327 Y C -1.800 174.072 175.900 -0.046 0.000 1.151 327 Y CA -1.023 57.016 58.100 -0.102 0.000 1.053 327 Y CB 1.477 39.759 38.460 -0.297 0.000 1.277 327 Y HN -0.290 nan 8.280 nan 0.000 0.432 328 D N 2.824 123.059 120.400 -0.276 0.000 2.614 328 D HA 0.131 4.769 4.640 -0.003 0.000 0.203 328 D C 0.225 176.450 176.300 -0.125 0.000 1.312 328 D CA 0.228 54.162 54.000 -0.109 0.000 0.889 328 D CB 1.615 42.402 40.800 -0.020 0.000 1.615 328 D HN 0.613 nan 8.370 nan 0.000 0.567 329 T N -0.432 114.102 114.554 -0.033 0.000 3.085 329 T HA -0.027 4.321 4.350 -0.003 0.000 0.263 329 T C 1.692 176.494 174.700 0.170 0.000 1.127 329 T CA 0.993 63.144 62.100 0.084 0.000 1.103 329 T CB 0.018 68.974 68.868 0.147 0.000 0.921 329 T HN 0.281 nan 8.240 nan 0.000 0.510 330 T N 3.197 117.813 114.554 0.103 0.000 2.652 330 T HA -0.051 4.297 4.350 -0.003 0.000 0.267 330 T C -0.429 174.333 174.700 0.103 0.000 1.039 330 T CA 1.653 63.802 62.100 0.082 0.000 1.153 330 T CB -1.175 67.713 68.868 0.033 0.000 0.863 330 T HN 0.431 nan 8.240 nan 0.000 0.428 331 P HA -0.162 nan 4.420 nan 0.000 0.216 331 P C 1.440 178.926 177.300 0.310 0.000 1.157 331 P CA 1.234 64.455 63.100 0.201 0.000 0.880 331 P CB -0.314 31.519 31.700 0.221 0.000 0.791 332 F N 1.102 121.220 119.950 0.281 0.000 2.120 332 F HA -0.198 4.327 4.527 -0.003 0.000 0.300 332 F C 2.060 177.866 175.800 0.010 0.000 1.095 332 F CA 1.297 59.426 58.000 0.215 0.000 1.249 332 F CB -1.072 38.092 39.000 0.273 0.000 0.995 332 F HN -0.306 nan 8.300 nan 0.000 0.480 333 V N 0.661 120.510 119.914 -0.108 0.000 2.255 333 V HA -0.341 3.777 4.120 -0.003 0.000 0.247 333 V C 2.429 178.374 176.094 -0.248 0.000 1.051 333 V CA 2.442 64.598 62.300 -0.241 0.000 1.018 333 V CB -0.755 31.029 31.823 -0.065 0.000 0.641 333 V HN 0.276 nan 8.190 nan 0.000 0.445 334 K N -0.644 119.681 120.400 -0.125 0.000 2.148 334 K HA -0.073 4.245 4.320 -0.003 0.000 0.204 334 K C 2.059 178.588 176.600 -0.118 0.000 1.050 334 K CA 1.483 57.712 56.287 -0.097 0.000 0.942 334 K CB -0.191 32.283 32.500 -0.045 0.000 0.724 334 K HN 0.414 nan 8.250 nan 0.000 0.446 335 I N 0.334 120.801 120.570 -0.172 0.000 2.584 335 I HA -0.195 3.973 4.170 -0.003 0.000 0.255 335 I C 1.800 177.743 176.117 -0.291 0.000 1.145 335 I CA 0.764 61.938 61.300 -0.209 0.000 1.462 335 I CB 0.192 37.994 38.000 -0.330 0.000 1.102 335 I HN 0.005 nan 8.210 nan 0.000 0.433 336 S N 0.887 116.293 115.700 -0.489 0.000 2.343 336 S HA -0.182 4.286 4.470 -0.003 0.000 0.219 336 S C 1.914 176.318 174.600 -0.326 0.000 1.033 336 S CA 1.841 59.728 58.200 -0.521 0.000 1.014 336 S CB -0.383 62.338 63.200 -0.798 0.000 0.915 336 S HN 0.372 nan 8.310 nan 0.000 0.435 337 I N 0.880 121.282 120.570 -0.281 0.000 2.163 337 I HA -0.258 3.910 4.170 -0.003 0.000 0.243 337 I C 2.397 178.439 176.117 -0.125 0.000 1.085 337 I CA 1.751 62.932 61.300 -0.199 0.000 1.347 337 I CB -0.444 37.464 38.000 -0.154 0.000 1.044 337 I HN 0.368 nan 8.210 nan 0.000 0.408 338 H N 1.029 119.997 119.070 -0.169 0.000 2.353 338 H HA -0.200 4.354 4.556 -0.003 0.000 0.298 338 H C 2.076 177.333 175.328 -0.118 0.000 1.103 338 H CA 1.914 57.886 56.048 -0.127 0.000 1.293 338 H CB 0.055 29.744 29.762 -0.120 0.000 1.372 338 H HN 0.220 nan 8.280 nan 0.000 0.501 339 E N -0.058 119.990 120.200 -0.254 0.000 2.106 339 E HA -0.091 4.257 4.350 -0.003 0.000 0.192 339 E C 2.571 179.056 176.600 -0.192 0.000 0.984 339 E CA 1.161 57.406 56.400 -0.258 0.000 0.806 339 E CB -0.230 29.366 29.700 -0.174 0.000 0.750 339 E HN 0.447 nan 8.360 nan 0.000 0.458 340 V N 0.752 120.572 119.914 -0.157 0.000 2.453 340 V HA -0.151 3.967 4.120 -0.003 0.000 0.247 340 V C 2.553 178.588 176.094 -0.099 0.000 1.048 340 V CA 0.904 63.149 62.300 -0.091 0.000 1.049 340 V CB -0.494 31.238 31.823 -0.153 0.000 0.672 340 V HN 0.032 nan 8.190 nan 0.000 0.457 341 V N 0.428 120.260 119.914 -0.135 0.000 2.343 341 V HA -0.300 3.818 4.120 -0.003 0.000 0.247 341 V C 2.521 178.532 176.094 -0.138 0.000 1.051 341 V CA 2.420 64.656 62.300 -0.106 0.000 1.036 341 V CB -0.653 31.118 31.823 -0.086 0.000 0.654 341 V HN 0.585 nan 8.190 nan 0.000 0.451 342 K N 0.213 120.463 120.400 -0.249 0.000 2.020 342 K HA -0.224 4.094 4.320 -0.003 0.000 0.212 342 K C 2.118 178.645 176.600 -0.122 0.000 1.050 342 K CA 2.477 58.626 56.287 -0.231 0.000 0.929 342 K CB -0.738 31.562 32.500 -0.334 0.000 0.714 342 K HN 0.460 nan 8.250 nan 0.000 0.443 343 T N 1.932 116.426 114.554 -0.099 0.000 2.708 343 T HA -0.135 4.213 4.350 -0.003 0.000 0.266 343 T C 1.515 176.192 174.700 -0.038 0.000 1.037 343 T CA 1.226 63.294 62.100 -0.054 0.000 1.146 343 T CB -0.299 68.554 68.868 -0.025 0.000 0.865 343 T HN 0.153 nan 8.240 nan 0.000 0.435 344 L N 1.584 122.788 121.223 -0.032 0.000 2.021 344 L HA -0.133 4.205 4.340 -0.003 0.000 0.215 344 L C 2.451 179.312 176.870 -0.015 0.000 1.074 344 L CA 1.893 56.724 54.840 -0.016 0.000 0.760 344 L CB -1.100 40.956 42.059 -0.004 0.000 0.889 344 L HN 0.180 nan 8.230 nan 0.000 0.433 345 V N -0.047 119.852 119.914 -0.026 0.000 2.307 345 V HA -0.254 3.864 4.120 -0.003 0.000 0.245 345 V C 2.458 178.540 176.094 -0.020 0.000 1.045 345 V CA 1.742 64.028 62.300 -0.023 0.000 1.024 345 V CB -0.560 31.242 31.823 -0.034 0.000 0.651 345 V HN 0.439 nan 8.190 nan 0.000 0.449 346 E N 0.394 120.578 120.200 -0.027 0.000 2.153 346 E HA -0.183 4.165 4.350 -0.003 0.000 0.194 346 E C 2.287 178.882 176.600 -0.009 0.000 0.988 346 E CA 1.260 57.649 56.400 -0.018 0.000 0.811 346 E CB -0.334 29.350 29.700 -0.026 0.000 0.746 346 E HN 0.617 nan 8.360 nan 0.000 0.466 347 A N 1.036 123.846 122.820 -0.016 0.000 1.873 347 A HA -0.172 4.146 4.320 -0.003 0.000 0.215 347 A C 2.157 179.748 177.584 0.013 0.000 1.186 347 A CA 1.074 53.102 52.037 -0.016 0.000 0.616 347 A CB -0.539 18.442 19.000 -0.032 0.000 0.823 347 A HN 0.125 nan 8.150 nan 0.000 0.442 348 I N -0.367 120.215 120.570 0.020 0.000 2.099 348 I HA -0.286 3.882 4.170 -0.003 0.000 0.239 348 I C 2.358 178.521 176.117 0.077 0.000 1.066 348 I CA 1.634 62.961 61.300 0.045 0.000 1.324 348 I CB -0.416 37.601 38.000 0.028 0.000 1.037 348 I HN 0.284 nan 8.210 nan 0.000 0.401 349 I N 0.110 120.707 120.570 0.044 0.000 2.194 349 I HA -0.329 3.839 4.170 -0.003 0.000 0.246 349 I C 2.400 178.595 176.117 0.130 0.000 1.093 349 I CA 1.485 62.820 61.300 0.059 0.000 1.355 349 I CB -0.218 37.786 38.000 0.008 0.000 1.046 349 I HN 0.214 nan 8.210 nan 0.000 0.413 350 L N -0.451 120.823 121.223 0.085 0.000 2.072 350 L HA -0.131 4.207 4.340 -0.003 0.000 0.205 350 L C 2.341 179.267 176.870 0.093 0.000 1.079 350 L CA 1.323 56.211 54.840 0.080 0.000 0.752 350 L CB -0.536 41.547 42.059 0.042 0.000 0.906 350 L HN 0.000 nan 8.230 nan 0.000 0.436 351 V N -0.987 118.982 119.914 0.092 0.000 2.490 351 V HA -0.304 3.814 4.120 -0.003 0.000 0.250 351 V C 2.249 178.411 176.094 0.114 0.000 1.061 351 V CA 1.565 63.917 62.300 0.087 0.000 1.064 351 V CB -0.728 31.140 31.823 0.075 0.000 0.670 351 V HN 0.401 nan 8.190 nan 0.000 0.461 352 F N 0.462 120.421 119.950 0.015 0.000 2.171 352 F HA -0.170 4.355 4.527 -0.003 0.000 0.300 352 F C 1.960 177.773 175.800 0.022 0.000 1.090 352 F CA 1.669 59.677 58.000 0.013 0.000 1.293 352 F CB -0.087 38.910 39.000 -0.004 0.000 1.013 352 F HN 0.054 nan 8.300 nan 0.000 0.486 353 L N -0.865 120.405 121.223 0.079 0.000 2.240 353 L HA -0.121 4.217 4.340 -0.003 0.000 0.211 353 L C 2.223 179.086 176.870 -0.010 0.000 1.106 353 L CA 0.564 55.408 54.840 0.005 0.000 0.793 353 L CB -0.769 41.336 42.059 0.076 0.000 0.927 353 L HN 0.015 nan 8.230 nan 0.000 0.446 354 V N -0.514 119.412 119.914 0.021 0.000 2.358 354 V HA -0.267 3.851 4.120 -0.003 0.000 0.246 354 V C 2.459 178.581 176.094 0.047 0.000 1.047 354 V CA 1.670 64.005 62.300 0.059 0.000 1.035 354 V CB -0.443 31.423 31.823 0.073 0.000 0.658 354 V HN 0.381 nan 8.190 nan 0.000 0.452 355 M N -1.406 118.164 119.600 -0.050 0.000 2.156 355 M HA -0.124 4.354 4.480 -0.003 0.000 0.264 355 M C 2.326 178.520 176.300 -0.175 0.000 1.067 355 M CA 2.033 57.268 55.300 -0.109 0.000 1.131 355 M CB -0.417 32.096 32.600 -0.144 0.000 1.368 355 M HN 0.404 nan 8.290 nan 0.000 0.416 356 Y N 1.002 121.035 120.300 -0.444 0.000 2.220 356 Y HA -0.064 4.484 4.550 -0.003 0.000 0.291 356 Y C 1.481 177.184 175.900 -0.327 0.000 1.129 356 Y CA 1.265 59.061 58.100 -0.507 0.000 1.161 356 Y CB 0.053 38.042 38.460 -0.786 0.000 0.997 356 Y HN 0.051 nan 8.280 nan 0.000 0.522 357 L N -0.026 121.132 121.223 -0.109 0.000 2.777 357 L HA 0.016 4.354 4.340 -0.003 0.000 0.244 357 L C 0.383 177.091 176.870 -0.270 0.000 1.235 357 L CA 0.424 55.130 54.840 -0.223 0.000 1.062 357 L CB -0.493 41.464 42.059 -0.170 0.000 1.340 357 L HN 0.310 nan 8.230 nan 0.000 0.439 358 F N -2.023 117.746 119.950 -0.301 0.000 1.975 358 F HA 0.132 4.657 4.527 -0.003 0.000 0.259 358 F C 1.619 177.249 175.800 -0.285 0.000 1.011 358 F CA -0.104 57.725 58.000 -0.286 0.000 1.196 358 F CB 0.467 39.316 39.000 -0.251 0.000 1.427 358 F HN -0.195 nan 8.300 nan 0.000 0.669 359 L N 1.086 122.278 121.223 -0.052 0.000 2.418 359 L HA -0.038 4.300 4.340 -0.003 0.000 0.218 359 L C 0.367 177.050 176.870 -0.312 0.000 1.125 359 L CA 0.573 55.323 54.840 -0.149 0.000 0.835 359 L CB -0.610 41.354 42.059 -0.158 0.000 0.953 359 L HN 0.261 nan 8.230 nan 0.000 0.454 360 Q N 0.734 120.198 119.800 -0.559 0.000 2.426 360 Q HA -0.294 4.044 4.340 -0.003 0.000 0.359 360 Q C -0.411 175.121 176.000 -0.779 0.000 1.381 360 Q CA 0.728 55.987 55.803 -0.906 0.000 1.060 360 Q CB -2.341 26.065 28.738 -0.554 0.000 1.253 360 Q HN 0.733 nan 8.270 nan 0.000 0.363 361 N N -0.950 117.258 118.700 -0.819 0.000 2.647 361 N HA 0.222 4.960 4.740 -0.003 0.000 0.259 361 N C -0.548 174.925 175.510 -0.063 0.000 1.098 361 N CA -0.578 52.292 53.050 -0.298 0.000 0.984 361 N CB 0.755 39.164 38.487 -0.131 0.000 1.683 361 N HN 0.042 nan 8.380 nan 0.000 0.501 362 F N 2.323 122.398 119.950 0.208 0.000 2.051 362 F HA -0.095 4.430 4.527 -0.003 0.000 0.296 362 F C 2.621 178.523 175.800 0.169 0.000 1.122 362 F CA 1.455 59.617 58.000 0.271 0.000 1.201 362 F CB -0.011 39.129 39.000 0.233 0.000 0.978 362 F HN 0.539 nan 8.300 nan 0.000 0.472 363 R N 0.733 121.418 120.500 0.309 0.000 2.159 363 R HA -0.101 4.237 4.340 -0.003 0.000 0.237 363 R C 2.070 178.446 176.300 0.127 0.000 1.131 363 R CA 1.333 57.549 56.100 0.193 0.000 0.982 363 R CB -1.280 29.103 30.300 0.138 0.000 0.868 363 R HN 0.330 nan 8.270 nan 0.000 0.453 364 A N 1.800 124.666 122.820 0.077 0.000 1.898 364 A HA -0.103 4.215 4.320 -0.003 0.000 0.214 364 A C 2.327 179.914 177.584 0.005 0.000 1.183 364 A CA 1.562 53.609 52.037 0.016 0.000 0.622 364 A CB -0.641 18.337 19.000 -0.038 0.000 0.824 364 A HN 0.553 nan 8.150 nan 0.000 0.444 365 T N -2.296 112.254 114.554 -0.007 0.000 3.067 365 T HA 0.163 4.511 4.350 -0.003 0.000 0.261 365 T C 1.685 176.445 174.700 0.101 0.000 1.110 365 T CA 0.775 62.853 62.100 -0.035 0.000 1.113 365 T CB -0.309 68.431 68.868 -0.214 0.000 0.917 365 T HN 0.227 nan 8.240 nan 0.000 0.499 366 L N 0.115 121.454 121.223 0.194 0.000 2.217 366 L HA 0.137 4.475 4.340 -0.003 0.000 0.211 366 L C 2.453 179.421 176.870 0.163 0.000 1.107 366 L CA 0.797 55.787 54.840 0.250 0.000 0.783 366 L CB -0.421 41.806 42.059 0.280 0.000 0.919 366 L HN 0.294 nan 8.230 nan 0.000 0.442 367 I N 0.305 120.938 120.570 0.105 0.000 2.142 367 I HA -0.197 3.971 4.170 -0.003 0.000 0.240 367 I C -0.424 175.711 176.117 0.031 0.000 1.078 367 I CA 1.324 62.656 61.300 0.053 0.000 1.343 367 I CB -1.483 36.530 38.000 0.022 0.000 1.046 367 I HN 0.225 nan 8.210 nan 0.000 0.405 368 P HA -0.025 nan 4.420 nan 0.000 0.229 368 P C 1.469 178.806 177.300 0.062 0.000 1.160 368 P CA 1.115 64.230 63.100 0.025 0.000 0.777 368 P CB -0.070 31.633 31.700 0.005 0.000 0.814 369 T N -0.136 114.485 114.554 0.112 0.000 2.770 369 T HA -0.038 4.310 4.350 -0.003 0.000 0.263 369 T C 1.743 176.512 174.700 0.116 0.000 1.039 369 T CA 0.890 63.085 62.100 0.158 0.000 1.142 369 T CB -0.859 68.179 68.868 0.283 0.000 0.868 369 T HN 0.051 nan 8.240 nan 0.000 0.435 370 I N 1.486 122.123 120.570 0.113 0.000 2.399 370 I HA -0.254 3.914 4.170 -0.003 0.000 0.254 370 I C 2.709 178.856 176.117 0.050 0.000 1.146 370 I CA 0.909 62.268 61.300 0.099 0.000 1.412 370 I CB -0.335 37.732 38.000 0.110 0.000 1.076 370 I HN 0.208 nan 8.210 nan 0.000 0.432 371 A N 0.142 122.977 122.820 0.026 0.000 1.933 371 A HA -0.155 4.163 4.320 -0.003 0.000 0.218 371 A C 2.387 179.989 177.584 0.029 0.000 1.175 371 A CA 1.658 53.701 52.037 0.010 0.000 0.628 371 A CB -0.831 18.170 19.000 0.002 0.000 0.814 371 A HN 0.247 nan 8.150 nan 0.000 0.444 372 V N 1.227 121.169 119.914 0.046 0.000 2.219 372 V HA -0.208 3.910 4.120 -0.003 0.000 0.248 372 V C 0.062 176.188 176.094 0.053 0.000 1.053 372 V CA 2.632 64.961 62.300 0.048 0.000 1.009 372 V CB -1.709 30.149 31.823 0.058 0.000 0.636 372 V HN 0.471 nan 8.190 nan 0.000 0.445 373 P HA -0.081 nan 4.420 nan 0.000 0.218 373 P C 1.835 179.185 177.300 0.083 0.000 1.149 373 P CA 1.359 64.508 63.100 0.081 0.000 0.817 373 P CB -0.090 31.660 31.700 0.084 0.000 0.785 374 V N 0.061 120.015 119.914 0.067 0.000 2.307 374 V HA -0.165 3.953 4.120 -0.003 0.000 0.245 374 V C 2.809 178.930 176.094 0.046 0.000 1.045 374 V CA 1.604 63.938 62.300 0.057 0.000 1.024 374 V CB -1.138 30.702 31.823 0.028 0.000 0.651 374 V HN -0.055 nan 8.190 nan 0.000 0.449 375 V N -0.315 119.616 119.914 0.028 0.000 2.307 375 V HA -0.204 3.914 4.120 -0.003 0.000 0.245 375 V C 2.328 178.421 176.094 -0.002 0.000 1.045 375 V CA 1.760 64.065 62.300 0.009 0.000 1.024 375 V CB -0.494 31.327 31.823 -0.003 0.000 0.651 375 V HN 0.397 nan 8.190 nan 0.000 0.449 376 L N -0.681 120.545 121.223 0.006 0.000 1.994 376 L HA -0.202 4.136 4.340 -0.003 0.000 0.208 376 L C 2.490 179.404 176.870 0.072 0.000 1.071 376 L CA 1.721 56.545 54.840 -0.027 0.000 0.745 376 L CB -0.586 41.485 42.059 0.019 0.000 0.892 376 L HN 0.306 nan 8.230 nan 0.000 0.431 377 L N -0.448 120.892 121.223 0.196 0.000 2.042 377 L HA -0.178 4.160 4.340 -0.003 0.000 0.210 377 L C 2.658 179.652 176.870 0.207 0.000 1.076 377 L CA 1.439 56.450 54.840 0.286 0.000 0.749 377 L CB -1.126 41.038 42.059 0.174 0.000 0.893 377 L HN 0.353 nan 8.230 nan 0.000 0.432 378 G N -0.977 107.890 108.800 0.112 0.000 2.440 378 G HA2 -0.254 3.704 3.960 -0.003 0.000 0.218 378 G HA3 -0.254 3.704 3.960 -0.003 0.000 0.218 378 G C 1.565 176.500 174.900 0.058 0.000 1.154 378 G CA 1.317 46.465 45.100 0.080 0.000 0.767 378 G HN 0.279 nan 8.290 nan 0.000 0.552 379 T N 0.829 115.376 114.554 -0.011 0.000 2.708 379 T HA -0.077 4.271 4.350 -0.003 0.000 0.266 379 T C 2.038 176.700 174.700 -0.063 0.000 1.037 379 T CA 0.988 63.029 62.100 -0.098 0.000 1.146 379 T CB -0.383 68.352 68.868 -0.223 0.000 0.865 379 T HN 0.289 nan 8.240 nan 0.000 0.435 380 F N 1.512 121.460 119.950 -0.005 0.000 2.147 380 F HA -0.197 4.328 4.527 -0.004 0.000 0.301 380 F C 2.657 178.479 175.800 0.036 0.000 1.084 380 F CA 0.879 58.884 58.000 0.009 0.000 1.268 380 F CB -0.362 38.642 39.000 0.007 0.000 1.009 380 F HN 0.156 nan 8.300 nan 0.000 0.486 381 A N -0.204 122.753 122.820 0.228 0.000 1.877 381 A HA -0.141 4.177 4.320 -0.003 0.000 0.216 381 A C 2.263 179.949 177.584 0.170 0.000 1.186 381 A CA 1.850 53.986 52.037 0.165 0.000 0.620 381 A CB -1.173 17.904 19.000 0.128 0.000 0.822 381 A HN 0.163 nan 8.150 nan 0.000 0.443 382 V N 0.356 120.360 119.914 0.151 0.000 2.343 382 V HA -0.276 3.842 4.120 -0.003 0.000 0.247 382 V C 2.561 178.811 176.094 0.260 0.000 1.051 382 V CA 1.932 64.352 62.300 0.201 0.000 1.036 382 V CB -0.962 30.898 31.823 0.061 0.000 0.654 382 V HN 0.562 nan 8.190 nan 0.000 0.451 383 L N 0.388 121.697 121.223 0.144 0.000 2.012 383 L HA -0.214 4.124 4.340 -0.003 0.000 0.210 383 L C 2.732 179.798 176.870 0.327 0.000 1.073 383 L CA 1.832 56.793 54.840 0.202 0.000 0.748 383 L CB -0.856 41.289 42.059 0.144 0.000 0.891 383 L HN 0.376 nan 8.230 nan 0.000 0.431 384 A N -0.269 122.700 122.820 0.248 0.000 1.969 384 A HA -0.051 4.267 4.320 -0.003 0.000 0.218 384 A C 2.487 180.174 177.584 0.171 0.000 1.169 384 A CA 1.444 53.596 52.037 0.192 0.000 0.635 384 A CB -0.560 18.524 19.000 0.141 0.000 0.810 384 A HN 0.400 nan 8.150 nan 0.000 0.445 385 A N -1.732 121.210 122.820 0.203 0.000 2.014 385 A HA 0.159 4.477 4.320 -0.003 0.000 0.218 385 A C 1.520 179.088 177.584 -0.026 0.000 1.163 385 A CA 1.057 53.149 52.037 0.091 0.000 0.652 385 A CB -0.472 18.604 19.000 0.126 0.000 0.808 385 A HN 0.490 nan 8.150 nan 0.000 0.449 386 F N -1.183 118.882 119.950 0.191 0.000 2.661 386 F HA 0.381 4.906 4.527 -0.003 0.000 0.306 386 F C 1.564 177.492 175.800 0.213 0.000 1.094 386 F CA 0.518 58.669 58.000 0.252 0.000 1.254 386 F CB 0.638 39.874 39.000 0.393 0.000 1.040 386 F HN 0.309 nan 8.300 nan 0.000 0.562 387 G N 0.685 109.661 108.800 0.294 0.000 2.182 387 G HA2 -0.308 3.650 3.960 -0.003 0.000 0.248 387 G HA3 -0.308 3.650 3.960 -0.003 0.000 0.248 387 G C 0.008 174.926 174.900 0.030 0.000 1.042 387 G CA -0.364 44.803 45.100 0.112 0.000 0.775 387 G HN 0.252 nan 8.290 nan 0.000 0.501 388 F N 0.773 120.790 119.950 0.113 0.000 2.362 388 F HA 0.699 5.224 4.527 -0.004 0.000 0.311 388 F C 1.188 177.030 175.800 0.069 0.000 1.161 388 F CA 0.250 58.298 58.000 0.079 0.000 1.085 388 F CB 1.459 40.496 39.000 0.061 0.000 1.311 388 F HN 0.335 nan 8.300 nan 0.000 0.524 389 S N -0.149 115.701 115.700 0.250 0.000 2.715 389 S HA 0.642 5.110 4.470 -0.003 0.000 0.307 389 S C -0.790 173.894 174.600 0.141 0.000 1.119 389 S CA -0.895 57.398 58.200 0.155 0.000 0.937 389 S CB 1.205 64.460 63.200 0.092 0.000 1.150 389 S HN 0.436 nan 8.310 nan 0.000 0.521 390 I N 3.021 123.658 120.570 0.112 0.000 2.278 390 I HA 0.242 4.410 4.170 -0.003 0.000 0.296 390 I C -0.211 175.910 176.117 0.007 0.000 1.121 390 I CA -0.275 61.083 61.300 0.096 0.000 1.267 390 I CB -0.812 37.260 38.000 0.120 0.000 1.447 390 I HN 0.705 nan 8.210 nan 0.000 0.509 391 N N 1.577 120.254 118.700 -0.039 0.000 2.381 391 N HA 0.324 5.061 4.740 -0.003 0.000 0.294 391 N C 0.952 176.311 175.510 -0.252 0.000 1.216 391 N CA -0.706 52.278 53.050 -0.109 0.000 0.803 391 N CB 0.846 39.315 38.487 -0.031 0.000 1.372 391 N HN 0.331 nan 8.380 nan 0.000 0.500 392 T N -1.785 112.547 114.554 -0.369 0.000 2.897 392 T HA -0.145 4.203 4.350 -0.003 0.000 0.271 392 T C 1.311 175.450 174.700 -0.936 0.000 1.084 392 T CA 1.008 62.685 62.100 -0.705 0.000 1.123 392 T CB -0.558 67.882 68.868 -0.714 0.000 0.865 392 T HN 0.461 nan 8.240 nan 0.000 0.496 393 L N 1.414 122.383 121.223 -0.423 0.000 2.049 393 L HA 0.005 4.343 4.340 -0.003 0.000 0.203 393 L C 3.368 179.900 176.870 -0.564 0.000 1.074 393 L CA 1.724 56.352 54.840 -0.352 0.000 0.749 393 L CB -1.171 40.825 42.059 -0.105 0.000 0.907 393 L HN 0.482 nan 8.230 nan 0.000 0.439 394 T N -3.136 111.194 114.554 -0.373 0.000 2.867 394 T HA -0.131 4.217 4.350 -0.003 0.000 0.268 394 T C 1.901 176.433 174.700 -0.280 0.000 1.057 394 T CA 0.697 62.602 62.100 -0.325 0.000 1.136 394 T CB -0.106 68.648 68.868 -0.191 0.000 0.874 394 T HN 0.011 nan 8.240 nan 0.000 0.466 395 M N 0.513 119.943 119.600 -0.283 0.000 2.175 395 M HA 0.199 4.676 4.480 -0.003 0.000 0.264 395 M C 2.061 178.299 176.300 -0.103 0.000 1.063 395 M CA 0.894 56.063 55.300 -0.218 0.000 1.119 395 M CB -1.403 31.045 32.600 -0.254 0.000 1.377 395 M HN 0.351 nan 8.290 nan 0.000 0.415 396 F N 0.174 120.055 119.950 -0.115 0.000 2.102 396 F HA -0.165 4.360 4.527 -0.004 0.000 0.298 396 F C 2.561 178.381 175.800 0.033 0.000 1.105 396 F CA 0.742 58.735 58.000 -0.011 0.000 1.239 396 F CB -1.000 38.078 39.000 0.129 0.000 0.991 396 F HN 0.266 nan 8.300 nan 0.000 0.474 397 G N 0.688 109.574 108.800 0.144 0.000 2.556 397 G HA2 -0.325 3.633 3.960 -0.003 0.000 0.220 397 G HA3 -0.325 3.633 3.960 -0.003 0.000 0.220 397 G C 1.543 176.440 174.900 -0.005 0.000 1.156 397 G CA 1.390 46.535 45.100 0.076 0.000 0.766 397 G HN 0.236 nan 8.290 nan 0.000 0.583 398 M N -0.140 119.417 119.600 -0.072 0.000 2.200 398 M HA -0.002 4.476 4.480 -0.003 0.000 0.265 398 M C 2.732 179.012 176.300 -0.032 0.000 1.066 398 M CA 0.783 56.022 55.300 -0.101 0.000 1.127 398 M CB -0.589 31.900 32.600 -0.185 0.000 1.379 398 M HN 0.126 nan 8.290 nan 0.000 0.420 399 V N 1.021 120.942 119.914 0.012 0.000 2.295 399 V HA -0.253 3.865 4.120 -0.003 0.000 0.246 399 V C 2.435 178.518 176.094 -0.019 0.000 1.049 399 V CA 1.545 63.850 62.300 0.008 0.000 1.024 399 V CB -0.675 31.175 31.823 0.045 0.000 0.648 399 V HN 0.307 nan 8.190 nan 0.000 0.447 400 L N 0.458 121.695 121.223 0.024 0.000 2.042 400 L HA -0.137 4.201 4.340 -0.003 0.000 0.210 400 L C 2.599 179.550 176.870 0.135 0.000 1.076 400 L CA 2.251 57.129 54.840 0.064 0.000 0.749 400 L CB -1.141 41.011 42.059 0.155 0.000 0.893 400 L HN 0.297 nan 8.230 nan 0.000 0.432 401 A N -0.615 122.243 122.820 0.063 0.000 1.972 401 A HA -0.172 4.146 4.320 -0.003 0.000 0.219 401 A C 2.314 179.934 177.584 0.060 0.000 1.169 401 A CA 1.503 53.567 52.037 0.046 0.000 0.635 401 A CB -0.725 18.258 19.000 -0.028 0.000 0.810 401 A HN 0.383 nan 8.150 nan 0.000 0.446 402 I N -0.051 120.541 120.570 0.037 0.000 2.091 402 I HA -0.235 3.933 4.170 -0.003 0.000 0.239 402 I C 2.178 178.337 176.117 0.071 0.000 1.061 402 I CA 1.370 62.691 61.300 0.035 0.000 1.317 402 I CB -0.507 37.500 38.000 0.012 0.000 1.031 402 I HN 0.402 nan 8.210 nan 0.000 0.401 403 G N -0.405 108.455 108.800 0.101 0.000 3.452 403 G HA2 0.289 4.247 3.960 -0.003 0.000 0.258 403 G HA3 0.289 4.247 3.960 -0.003 0.000 0.258 403 G C 0.539 175.618 174.900 0.297 0.000 1.305 403 G CA 0.084 45.298 45.100 0.190 0.000 1.514 403 G HN 0.229 nan 8.290 nan 0.000 0.593 404 L N -0.894 120.435 121.223 0.177 0.000 2.195 404 L HA 0.228 4.566 4.340 -0.003 0.000 0.222 404 L C 1.974 178.882 176.870 0.065 0.000 1.132 404 L CA 0.428 55.344 54.840 0.127 0.000 1.159 404 L CB -0.259 41.891 42.059 0.152 0.000 2.382 404 L HN 0.176 nan 8.230 nan 0.000 0.523 405 L N -0.779 120.476 121.223 0.054 0.000 2.275 405 L HA 0.060 4.398 4.340 -0.003 0.000 0.215 405 L C 1.959 178.843 176.870 0.025 0.000 1.119 405 L CA 1.939 56.796 54.840 0.028 0.000 0.790 405 L CB -1.428 40.640 42.059 0.014 0.000 0.919 405 L HN 0.118 nan 8.230 nan 0.000 0.443 406 V N -3.917 116.018 119.914 0.034 0.000 2.951 406 V HA -0.013 4.105 4.120 -0.003 0.000 0.255 406 V C 1.913 178.013 176.094 0.010 0.000 1.088 406 V CA 1.088 63.402 62.300 0.024 0.000 1.109 406 V CB -0.834 31.009 31.823 0.032 0.000 0.724 406 V HN 0.260 nan 8.190 nan 0.000 0.471 407 D N 1.851 122.260 120.400 0.015 0.000 2.126 407 D HA -0.217 4.421 4.640 -0.003 0.000 0.190 407 D C 1.810 178.106 176.300 -0.007 0.000 1.001 407 D CA 2.304 56.304 54.000 -0.000 0.000 0.841 407 D CB -0.400 40.402 40.800 0.004 0.000 0.949 407 D HN 0.507 nan 8.370 nan 0.000 0.446 408 D N -0.488 119.914 120.400 0.003 0.000 2.183 408 D HA 0.010 4.648 4.640 -0.003 0.000 0.203 408 D C 1.856 178.152 176.300 -0.006 0.000 0.969 408 D CA 1.169 55.171 54.000 0.004 0.000 0.842 408 D CB -0.293 40.512 40.800 0.008 0.000 0.957 408 D HN 0.194 nan 8.370 nan 0.000 0.484 409 A N -0.078 122.736 122.820 -0.011 0.000 2.066 409 A HA 0.005 4.323 4.320 -0.003 0.000 0.218 409 A C 2.148 179.717 177.584 -0.026 0.000 1.157 409 A CA 0.461 52.486 52.037 -0.019 0.000 0.670 409 A CB -0.403 18.588 19.000 -0.016 0.000 0.804 409 A HN 0.180 nan 8.150 nan 0.000 0.453 410 I N -1.053 119.498 120.570 -0.031 0.000 2.400 410 I HA -0.124 4.044 4.170 -0.003 0.000 0.248 410 I C 2.228 178.309 176.117 -0.060 0.000 1.109 410 I CA 0.561 61.827 61.300 -0.057 0.000 1.425 410 I CB 0.011 37.966 38.000 -0.075 0.000 1.094 410 I HN 0.127 nan 8.210 nan 0.000 0.425 411 V N 0.508 120.400 119.914 -0.037 0.000 2.343 411 V HA -0.244 3.874 4.120 -0.003 0.000 0.247 411 V C 2.360 178.458 176.094 0.006 0.000 1.051 411 V CA 1.538 63.830 62.300 -0.013 0.000 1.036 411 V CB -0.347 31.490 31.823 0.024 0.000 0.654 411 V HN 0.211 nan 8.190 nan 0.000 0.451 412 V N -0.486 119.426 119.914 -0.003 0.000 2.229 412 V HA -0.209 3.909 4.120 -0.003 0.000 0.243 412 V C 2.391 178.474 176.094 -0.018 0.000 1.042 412 V CA 1.997 64.292 62.300 -0.008 0.000 1.000 412 V CB -0.536 31.272 31.823 -0.025 0.000 0.637 412 V HN 0.369 nan 8.190 nan 0.000 0.446 413 V N 0.150 120.046 119.914 -0.029 0.000 2.282 413 V HA -0.288 3.830 4.120 -0.003 0.000 0.249 413 V C 2.661 178.735 176.094 -0.032 0.000 1.057 413 V CA 2.343 64.623 62.300 -0.032 0.000 1.032 413 V CB -0.717 31.084 31.823 -0.037 0.000 0.645 413 V HN 0.632 nan 8.190 nan 0.000 0.447 414 E N 0.805 120.979 120.200 -0.044 0.000 2.058 414 E HA -0.272 4.076 4.350 -0.003 0.000 0.194 414 E C 1.924 178.519 176.600 -0.009 0.000 0.997 414 E CA 1.892 58.265 56.400 -0.045 0.000 0.801 414 E CB -0.376 29.273 29.700 -0.087 0.000 0.746 414 E HN 0.651 nan 8.360 nan 0.000 0.450 415 N N -0.600 118.104 118.700 0.007 0.000 2.571 415 N HA -0.063 4.675 4.740 -0.003 0.000 0.189 415 N C 1.275 176.802 175.510 0.028 0.000 1.154 415 N CA 0.405 53.480 53.050 0.042 0.000 0.907 415 N CB 0.368 38.908 38.487 0.087 0.000 0.977 415 N HN -0.025 nan 8.380 nan 0.000 0.449 416 V N -0.417 119.501 119.914 0.006 0.000 2.922 416 V HA 0.076 4.194 4.120 -0.003 0.000 0.242 416 V C 1.848 177.940 176.094 -0.003 0.000 1.094 416 V CA 0.651 62.950 62.300 -0.003 0.000 1.106 416 V CB -0.041 31.771 31.823 -0.018 0.000 0.799 416 V HN 0.219 nan 8.190 nan 0.000 0.474 417 E N 0.477 120.674 120.200 -0.005 0.000 2.150 417 E HA -0.137 4.211 4.350 -0.003 0.000 0.193 417 E C 2.261 178.867 176.600 0.010 0.000 0.985 417 E CA 0.636 57.033 56.400 -0.005 0.000 0.814 417 E CB -0.184 29.510 29.700 -0.011 0.000 0.752 417 E HN 0.302 nan 8.360 nan 0.000 0.466 418 R N 0.900 121.418 120.500 0.030 0.000 2.153 418 R HA -0.015 4.323 4.340 -0.003 0.000 0.218 418 R C 2.139 178.467 176.300 0.046 0.000 1.072 418 R CA 0.422 56.559 56.100 0.062 0.000 0.990 418 R CB -0.092 30.253 30.300 0.075 0.000 0.889 418 R HN 0.038 nan 8.270 nan 0.000 0.452 419 V N 0.939 120.870 119.914 0.029 0.000 2.323 419 V HA -0.197 3.921 4.120 -0.003 0.000 0.244 419 V C 2.454 178.546 176.094 -0.004 0.000 1.041 419 V CA 1.518 63.831 62.300 0.021 0.000 1.025 419 V CB -0.306 31.529 31.823 0.021 0.000 0.656 419 V HN 0.280 nan 8.190 nan 0.000 0.451 420 M N -0.546 119.044 119.600 -0.017 0.000 2.296 420 M HA -0.108 4.370 4.480 -0.003 0.000 0.265 420 M C 2.163 178.423 176.300 -0.067 0.000 1.064 420 M CA 1.737 57.018 55.300 -0.032 0.000 1.109 420 M CB -0.400 32.184 32.600 -0.027 0.000 1.396 420 M HN 0.436 nan 8.290 nan 0.000 0.430 421 A N -0.297 122.460 122.820 -0.106 0.000 1.903 421 A HA -0.098 4.220 4.320 -0.003 0.000 0.213 421 A C 1.925 179.343 177.584 -0.277 0.000 1.185 421 A CA 1.163 53.050 52.037 -0.249 0.000 0.628 421 A CB -0.400 18.379 19.000 -0.368 0.000 0.830 421 A HN 0.427 nan 8.150 nan 0.000 0.446 422 E N -0.465 119.661 120.200 -0.123 0.000 2.046 422 E HA -0.149 4.199 4.350 -0.003 0.000 0.190 422 E C 1.868 178.472 176.600 0.006 0.000 0.982 422 E CA 1.419 57.821 56.400 0.003 0.000 0.800 422 E CB 0.038 29.790 29.700 0.087 0.000 0.756 422 E HN 0.740 nan 8.360 nan 0.000 0.449 423 E N -1.793 118.405 120.200 -0.003 0.000 2.256 423 E HA 0.146 4.494 4.350 -0.003 0.000 0.198 423 E C 0.626 177.223 176.600 -0.006 0.000 0.908 423 E CA 0.465 56.868 56.400 0.006 0.000 0.915 423 E CB 1.024 30.733 29.700 0.014 0.000 0.890 423 E HN 0.278 nan 8.360 nan 0.000 0.484 424 G N 1.916 110.705 108.800 -0.018 0.000 2.207 424 G HA2 -0.214 3.744 3.960 -0.003 0.000 0.216 424 G HA3 -0.214 3.744 3.960 -0.003 0.000 0.216 424 G C -0.100 174.795 174.900 -0.008 0.000 1.053 424 G CA -0.197 44.892 45.100 -0.018 0.000 0.764 424 G HN 0.034 nan 8.290 nan 0.000 0.495 425 L N 0.109 121.329 121.223 -0.005 0.000 2.439 425 L HA 0.469 4.807 4.340 -0.003 0.000 0.261 425 L C -1.386 175.483 176.870 -0.001 0.000 1.153 425 L CA -2.159 52.682 54.840 0.001 0.000 0.808 425 L CB 0.659 42.722 42.059 0.006 0.000 1.126 425 L HN -0.016 nan 8.230 nan 0.000 0.460 426 P HA 0.131 nan 4.420 nan 0.000 0.272 426 P C -2.159 175.141 177.300 -0.001 0.000 1.230 426 P CA -1.156 61.946 63.100 0.002 0.000 0.788 426 P CB 0.064 31.767 31.700 0.006 0.000 0.949 427 P HA -0.246 nan 4.420 nan 0.000 0.214 427 P C 1.249 178.542 177.300 -0.012 0.000 1.172 427 P CA 2.144 65.240 63.100 -0.006 0.000 0.925 427 P CB -0.154 31.546 31.700 -0.000 0.000 0.793 428 K N -0.752 119.643 120.400 -0.009 0.000 2.032 428 K HA -0.220 4.098 4.320 -0.003 0.000 0.209 428 K C 2.206 178.799 176.600 -0.013 0.000 1.048 428 K CA 1.665 57.943 56.287 -0.015 0.000 0.927 428 K CB -0.436 32.062 32.500 -0.003 0.000 0.712 428 K HN 0.101 nan 8.250 nan 0.000 0.441 429 E N 0.824 121.026 120.200 0.003 0.000 2.150 429 E HA -0.107 4.241 4.350 -0.003 0.000 0.193 429 E C 1.726 178.332 176.600 0.009 0.000 0.985 429 E CA 1.178 57.588 56.400 0.016 0.000 0.814 429 E CB -0.046 29.666 29.700 0.021 0.000 0.752 429 E HN 0.307 nan 8.360 nan 0.000 0.466 430 A N -0.440 122.378 122.820 -0.003 0.000 1.898 430 A HA -0.136 4.182 4.320 -0.003 0.000 0.216 430 A C 2.370 179.940 177.584 -0.023 0.000 1.181 430 A CA 1.927 53.960 52.037 -0.006 0.000 0.620 430 A CB -0.906 18.088 19.000 -0.009 0.000 0.819 430 A HN 0.348 nan 8.150 nan 0.000 0.442 431 T N -0.172 114.354 114.554 -0.046 0.000 2.668 431 T HA -0.120 4.228 4.350 -0.003 0.000 0.262 431 T C 2.077 176.688 174.700 -0.149 0.000 1.045 431 T CA 1.321 63.368 62.100 -0.090 0.000 1.152 431 T CB -0.275 68.532 68.868 -0.101 0.000 0.864 431 T HN 0.449 nan 8.240 nan 0.000 0.419 432 R N 0.890 121.297 120.500 -0.155 0.000 2.103 432 R HA -0.085 4.253 4.340 -0.003 0.000 0.242 432 R C 2.530 178.820 176.300 -0.018 0.000 1.142 432 R CA 1.309 57.272 56.100 -0.229 0.000 0.960 432 R CB -0.249 30.062 30.300 0.017 0.000 0.858 432 R HN 0.194 nan 8.270 nan 0.000 0.439 433 K N 0.549 120.976 120.400 0.045 0.000 2.057 433 K HA -0.064 4.254 4.320 -0.003 0.000 0.206 433 K C 2.112 178.745 176.600 0.054 0.000 1.050 433 K CA 1.757 58.094 56.287 0.084 0.000 0.935 433 K CB -0.082 32.452 32.500 0.057 0.000 0.715 433 K HN 0.185 nan 8.250 nan 0.000 0.439 434 S N -0.589 115.116 115.700 0.009 0.000 2.481 434 S HA -0.093 4.375 4.470 -0.003 0.000 0.231 434 S C 1.884 176.479 174.600 -0.009 0.000 0.996 434 S CA 0.708 58.912 58.200 0.007 0.000 0.942 434 S CB -0.161 63.041 63.200 0.004 0.000 0.768 434 S HN 0.106 nan 8.310 nan 0.000 0.520 435 M N 2.804 122.373 119.600 -0.052 0.000 2.156 435 M HA 0.250 4.728 4.480 -0.003 0.000 0.264 435 M C 1.937 178.259 176.300 0.036 0.000 1.067 435 M CA 1.278 56.530 55.300 -0.081 0.000 1.131 435 M CB -1.171 31.239 32.600 -0.317 0.000 1.368 435 M HN 0.408 nan 8.290 nan 0.000 0.416 436 G N -1.156 107.736 108.800 0.153 0.000 3.061 436 G HA2 -0.065 3.893 3.960 -0.003 0.000 0.208 436 G HA3 -0.065 3.893 3.960 -0.003 0.000 0.208 436 G C 1.224 176.151 174.900 0.044 0.000 1.175 436 G CA 0.202 45.404 45.100 0.169 0.000 0.812 436 G HN 0.552 nan 8.290 nan 0.000 0.523 437 Q N -0.798 118.999 119.800 -0.005 0.000 2.548 437 Q HA 0.182 4.520 4.340 -0.003 0.000 0.230 437 Q C 2.332 178.213 176.000 -0.198 0.000 0.899 437 Q CA 0.251 55.996 55.803 -0.096 0.000 0.936 437 Q CB 0.171 28.867 28.738 -0.070 0.000 1.114 437 Q HN 0.669 nan 8.270 nan 0.000 0.606 438 I N -1.562 118.946 120.570 -0.104 0.000 3.578 438 I HA 0.002 4.170 4.170 -0.003 0.000 0.295 438 I C 2.153 178.253 176.117 -0.029 0.000 1.280 438 I CA 0.283 61.540 61.300 -0.071 0.000 1.347 438 I CB -0.133 37.914 38.000 0.078 0.000 1.051 438 I HN 0.083 nan 8.210 nan 0.000 0.460 439 Q N 2.297 122.084 119.800 -0.022 0.000 2.133 439 Q HA -0.214 4.124 4.340 -0.003 0.000 0.208 439 Q C 2.175 178.181 176.000 0.009 0.000 0.991 439 Q CA 2.659 58.466 55.803 0.006 0.000 0.867 439 Q CB -0.359 28.395 28.738 0.027 0.000 0.911 439 Q HN 0.713 nan 8.270 nan 0.000 0.417 440 G N -0.205 108.596 108.800 0.002 0.000 2.403 440 G HA2 -0.115 3.843 3.960 -0.003 0.000 0.216 440 G HA3 -0.115 3.843 3.960 -0.003 0.000 0.216 440 G C 1.486 176.462 174.900 0.127 0.000 1.154 440 G CA 0.951 46.081 45.100 0.050 0.000 0.784 440 G HN 0.483 nan 8.290 nan 0.000 0.538 441 A N 0.823 123.709 122.820 0.110 0.000 1.902 441 A HA 0.081 4.399 4.320 -0.003 0.000 0.217 441 A C 2.427 180.095 177.584 0.139 0.000 1.181 441 A CA 1.266 53.414 52.037 0.186 0.000 0.623 441 A CB -0.446 18.735 19.000 0.301 0.000 0.818 441 A HN 0.343 nan 8.150 nan 0.000 0.443 442 L N -0.476 120.802 121.223 0.091 0.000 2.013 442 L HA -0.214 4.124 4.340 -0.003 0.000 0.212 442 L C 2.528 179.424 176.870 0.043 0.000 1.073 442 L CA 1.464 56.339 54.840 0.057 0.000 0.753 442 L CB -0.861 41.218 42.059 0.035 0.000 0.890 442 L HN 0.244 nan 8.230 nan 0.000 0.432 443 V N 0.339 120.270 119.914 0.029 0.000 2.343 443 V HA -0.222 3.896 4.120 -0.003 0.000 0.247 443 V C 2.659 178.755 176.094 0.004 0.000 1.051 443 V CA 2.041 64.340 62.300 -0.003 0.000 1.036 443 V CB -1.373 30.424 31.823 -0.043 0.000 0.654 443 V HN 0.590 nan 8.190 nan 0.000 0.451 444 G N -0.016 108.819 108.800 0.058 0.000 2.446 444 G HA2 -0.243 3.715 3.960 -0.003 0.000 0.217 444 G HA3 -0.243 3.715 3.960 -0.003 0.000 0.217 444 G C 1.580 176.534 174.900 0.089 0.000 1.168 444 G CA 1.181 46.359 45.100 0.131 0.000 0.771 444 G HN 0.488 nan 8.290 nan 0.000 0.551 445 I N 1.371 121.987 120.570 0.077 0.000 2.163 445 I HA -0.218 3.950 4.170 -0.003 0.000 0.243 445 I C 3.277 179.412 176.117 0.030 0.000 1.085 445 I CA 1.249 62.575 61.300 0.043 0.000 1.347 445 I CB -0.209 37.812 38.000 0.037 0.000 1.044 445 I HN 0.258 nan 8.210 nan 0.000 0.408 446 A N 1.106 123.943 122.820 0.028 0.000 1.897 446 A HA -0.196 4.122 4.320 -0.003 0.000 0.215 446 A C 2.369 179.968 177.584 0.026 0.000 1.181 446 A CA 1.729 53.781 52.037 0.026 0.000 0.620 446 A CB -0.651 18.359 19.000 0.018 0.000 0.821 446 A HN 0.546 nan 8.150 nan 0.000 0.443 447 M N -1.556 118.051 119.600 0.011 0.000 2.175 447 M HA 0.034 4.512 4.480 -0.003 0.000 0.264 447 M C 1.758 178.059 176.300 0.002 0.000 1.063 447 M CA 1.981 57.282 55.300 0.002 0.000 1.119 447 M CB -0.540 32.046 32.600 -0.024 0.000 1.377 447 M HN -0.011 nan 8.290 nan 0.000 0.415 448 V N 0.899 120.813 119.914 0.001 0.000 2.548 448 V HA -0.039 4.079 4.120 -0.003 0.000 0.249 448 V C 2.026 178.101 176.094 -0.032 0.000 1.055 448 V CA 1.370 63.658 62.300 -0.020 0.000 1.065 448 V CB -0.182 31.633 31.823 -0.012 0.000 0.681 448 V HN 0.591 nan 8.190 nan 0.000 0.462 449 L N 0.255 121.489 121.223 0.019 0.000 2.627 449 L HA 0.117 4.455 4.340 -0.003 0.000 0.232 449 L C 1.351 178.364 176.870 0.238 0.000 1.150 449 L CA 0.880 55.776 54.840 0.095 0.000 0.917 449 L CB 0.055 42.172 42.059 0.096 0.000 1.104 449 L HN 0.542 nan 8.230 nan 0.000 0.445 450 S N -3.798 111.990 115.700 0.146 0.000 2.820 450 S HA 0.239 4.707 4.470 -0.003 0.000 0.265 450 S C 1.311 175.970 174.600 0.098 0.000 1.043 450 S CA 0.202 58.527 58.200 0.208 0.000 1.245 450 S CB 0.518 63.785 63.200 0.112 0.000 1.187 450 S HN 0.122 nan 8.310 nan 0.000 0.673 451 A N 2.265 125.087 122.820 0.003 0.000 1.943 451 A HA 0.301 4.619 4.320 -0.003 0.000 0.213 451 A C 2.174 179.694 177.584 -0.107 0.000 1.181 451 A CA 1.245 53.263 52.037 -0.031 0.000 0.653 451 A CB -0.955 18.023 19.000 -0.037 0.000 0.833 451 A HN 0.958 nan 8.150 nan 0.000 0.451 452 V N -3.210 116.540 119.914 -0.274 0.000 2.594 452 V HA -0.167 3.951 4.120 -0.003 0.000 0.253 452 V C 1.933 177.714 176.094 -0.523 0.000 1.069 452 V CA 1.625 63.637 62.300 -0.481 0.000 1.082 452 V CB -1.431 29.928 31.823 -0.773 0.000 0.680 452 V HN 0.438 nan 8.190 nan 0.000 0.469 453 F N -0.588 119.323 119.950 -0.064 0.000 2.765 453 F HA 0.311 4.836 4.527 -0.004 0.000 0.302 453 F C 1.969 177.717 175.800 -0.088 0.000 1.111 453 F CA 0.120 58.072 58.000 -0.080 0.000 1.359 453 F CB -0.175 38.792 39.000 -0.055 0.000 1.097 453 F HN -0.058 nan 8.300 nan 0.000 0.577 454 V N 1.156 121.093 119.914 0.038 0.000 2.273 454 V HA -0.123 3.995 4.120 -0.003 0.000 0.242 454 V C -0.212 175.881 176.094 -0.001 0.000 1.035 454 V CA 1.555 63.858 62.300 0.005 0.000 1.013 454 V CB -1.444 30.423 31.823 0.074 0.000 0.652 454 V HN 0.137 nan 8.190 nan 0.000 0.452 455 P HA -0.215 nan 4.420 nan 0.000 0.215 455 P C 2.021 179.501 177.300 0.300 0.000 1.153 455 P CA 1.842 65.087 63.100 0.241 0.000 0.853 455 P CB -0.288 31.522 31.700 0.183 0.000 0.788 456 M N -1.213 118.432 119.600 0.075 0.000 2.279 456 M HA -0.076 4.402 4.480 -0.003 0.000 0.264 456 M C 1.839 178.278 176.300 0.233 0.000 1.062 456 M CA 2.387 57.694 55.300 0.012 0.000 1.099 456 M CB -1.053 31.305 32.600 -0.404 0.000 1.394 456 M HN -0.157 nan 8.290 nan 0.000 0.426 457 A N 0.376 123.208 122.820 0.019 0.000 2.019 457 A HA -0.039 4.279 4.320 -0.003 0.000 0.219 457 A C 1.485 179.005 177.584 -0.107 0.000 1.164 457 A CA 1.040 53.011 52.037 -0.111 0.000 0.644 457 A CB -1.079 17.677 19.000 -0.407 0.000 0.805 457 A HN 0.679 nan 8.150 nan 0.000 0.449 458 F N -2.082 118.023 119.950 0.258 0.000 2.732 458 F HA 0.310 4.835 4.527 -0.003 0.000 0.303 458 F C 0.289 176.164 175.800 0.125 0.000 1.110 458 F CA -0.720 57.376 58.000 0.159 0.000 1.355 458 F CB 0.053 39.098 39.000 0.075 0.000 1.081 458 F HN 0.016 nan 8.300 nan 0.000 0.565 459 F N 0.497 120.606 119.950 0.264 0.000 2.380 459 F HA 0.502 5.027 4.527 -0.003 0.000 0.325 459 F C 1.160 177.075 175.800 0.192 0.000 1.136 459 F CA -0.569 57.572 58.000 0.235 0.000 1.171 459 F CB 0.427 39.602 39.000 0.291 0.000 1.230 459 F HN -0.136 nan 8.300 nan 0.000 0.554 460 G N -0.097 108.879 108.800 0.293 0.000 2.531 460 G HA2 0.537 4.495 3.960 -0.003 0.000 0.313 460 G HA3 0.537 4.495 3.960 -0.003 0.000 0.313 460 G C -0.209 174.800 174.900 0.180 0.000 1.238 460 G CA -0.188 45.028 45.100 0.193 0.000 0.994 460 G HN 1.142 nan 8.290 nan 0.000 0.493 461 G N -1.405 107.481 108.800 0.143 0.000 2.814 461 G HA2 0.061 4.019 3.960 -0.003 0.000 0.677 461 G HA3 0.061 4.019 3.960 -0.003 0.000 0.677 461 G C 1.130 176.089 174.900 0.099 0.000 1.429 461 G CA 0.632 45.810 45.100 0.129 0.000 0.868 461 G HN 1.795 nan 8.290 nan 0.000 0.553 462 S N -0.971 114.791 115.700 0.104 0.000 2.493 462 S HA -0.107 4.361 4.470 -0.003 0.000 0.243 462 S C 2.317 176.956 174.600 0.064 0.000 0.991 462 S CA 2.636 60.892 58.200 0.094 0.000 0.957 462 S CB -0.397 62.874 63.200 0.119 0.000 0.756 462 S HN 1.094 nan 8.310 nan 0.000 0.521 463 T N 0.704 115.275 114.554 0.029 0.000 2.770 463 T HA 0.082 4.430 4.350 -0.003 0.000 0.263 463 T C 2.011 176.374 174.700 -0.561 0.000 1.039 463 T CA 1.117 63.075 62.100 -0.238 0.000 1.142 463 T CB -1.082 67.674 68.868 -0.186 0.000 0.868 463 T HN 0.547 nan 8.240 nan 0.000 0.435 464 G N 1.199 109.859 108.800 -0.233 0.000 2.462 464 G HA2 -0.052 3.906 3.960 -0.003 0.000 0.220 464 G HA3 -0.052 3.906 3.960 -0.003 0.000 0.220 464 G C 1.775 176.722 174.900 0.078 0.000 1.121 464 G CA 0.936 46.043 45.100 0.012 0.000 0.758 464 G HN 0.571 nan 8.290 nan 0.000 0.559 465 A N 1.324 124.167 122.820 0.038 0.000 1.883 465 A HA -0.032 4.286 4.320 -0.003 0.000 0.217 465 A C 2.347 179.993 177.584 0.103 0.000 1.186 465 A CA 1.522 53.605 52.037 0.077 0.000 0.624 465 A CB -0.304 18.727 19.000 0.051 0.000 0.822 465 A HN 0.291 nan 8.150 nan 0.000 0.444 466 I N -1.257 119.335 120.570 0.036 0.000 2.163 466 I HA -0.282 3.886 4.170 -0.003 0.000 0.243 466 I C 2.476 178.839 176.117 0.409 0.000 1.085 466 I CA 1.493 62.889 61.300 0.160 0.000 1.347 466 I CB -1.858 36.173 38.000 0.052 0.000 1.044 466 I HN 0.482 nan 8.210 nan 0.000 0.408 467 Y N 0.970 121.434 120.300 0.273 0.000 2.097 467 Y HA -0.281 4.267 4.550 -0.003 0.000 0.282 467 Y C 3.057 179.113 175.900 0.259 0.000 1.152 467 Y CA 1.006 59.274 58.100 0.279 0.000 1.136 467 Y CB -0.475 38.077 38.460 0.154 0.000 0.975 467 Y HN 0.072 nan 8.280 nan 0.000 0.498 468 R N 0.246 120.963 120.500 0.361 0.000 2.119 468 R HA -0.227 4.111 4.340 -0.003 0.000 0.246 468 R C 2.285 178.703 176.300 0.196 0.000 1.146 468 R CA 1.752 58.006 56.100 0.256 0.000 0.962 468 R CB -0.099 30.374 30.300 0.288 0.000 0.863 468 R HN 0.379 nan 8.270 nan 0.000 0.442 469 Q N -0.665 119.255 119.800 0.201 0.000 2.084 469 Q HA -0.167 4.171 4.340 -0.003 0.000 0.202 469 Q C 2.030 177.920 176.000 -0.183 0.000 0.978 469 Q CA 1.604 57.411 55.803 0.006 0.000 0.844 469 Q CB -0.326 28.377 28.738 -0.058 0.000 0.898 469 Q HN 0.373 nan 8.270 nan 0.000 0.426 470 F N 0.996 120.959 119.950 0.022 0.000 2.128 470 F HA -0.123 4.402 4.527 -0.004 0.000 0.295 470 F C 2.650 178.319 175.800 -0.217 0.000 1.100 470 F CA 1.036 58.987 58.000 -0.082 0.000 1.260 470 F CB -0.467 38.525 39.000 -0.013 0.000 1.009 470 F HN -0.054 nan 8.300 nan 0.000 0.476 471 S N 0.664 116.406 115.700 0.069 0.000 2.359 471 S HA -0.220 4.248 4.470 -0.003 0.000 0.223 471 S C 2.158 176.657 174.600 -0.169 0.000 1.039 471 S CA 1.315 59.500 58.200 -0.024 0.000 1.042 471 S CB -0.584 62.628 63.200 0.020 0.000 0.915 471 S HN 0.269 nan 8.310 nan 0.000 0.439 472 I N 1.650 122.052 120.570 -0.279 0.000 2.361 472 I HA -0.176 3.992 4.170 -0.003 0.000 0.251 472 I C 1.932 177.805 176.117 -0.405 0.000 1.133 472 I CA 1.478 62.495 61.300 -0.471 0.000 1.413 472 I CB -1.127 36.285 38.000 -0.981 0.000 1.073 472 I HN 0.325 nan 8.210 nan 0.000 0.424 473 T N 1.467 115.810 114.554 -0.351 0.000 2.706 473 T HA -0.032 4.316 4.350 -0.003 0.000 0.255 473 T C 2.022 176.576 174.700 -0.243 0.000 1.048 473 T CA 1.364 63.283 62.100 -0.301 0.000 1.153 473 T CB -0.235 68.462 68.868 -0.284 0.000 0.865 473 T HN 0.240 nan 8.240 nan 0.000 0.414 474 I N 1.165 121.579 120.570 -0.261 0.000 2.142 474 I HA -0.153 4.015 4.170 -0.003 0.000 0.240 474 I C 2.572 178.591 176.117 -0.164 0.000 1.078 474 I CA 0.965 62.101 61.300 -0.272 0.000 1.343 474 I CB -0.714 36.924 38.000 -0.603 0.000 1.046 474 I HN 0.054 nan 8.210 nan 0.000 0.405 475 V N 1.312 121.146 119.914 -0.134 0.000 2.324 475 V HA -0.307 3.811 4.120 -0.003 0.000 0.250 475 V C 2.723 178.774 176.094 -0.072 0.000 1.060 475 V CA 2.481 64.754 62.300 -0.044 0.000 1.042 475 V CB -0.824 30.977 31.823 -0.037 0.000 0.650 475 V HN 0.639 nan 8.190 nan 0.000 0.450 476 S N 0.452 116.077 115.700 -0.126 0.000 2.428 476 S HA -0.034 4.434 4.470 -0.003 0.000 0.230 476 S C 2.034 176.585 174.600 -0.083 0.000 1.014 476 S CA 1.107 59.240 58.200 -0.111 0.000 0.957 476 S CB -0.295 62.813 63.200 -0.155 0.000 0.784 476 S HN 0.556 nan 8.310 nan 0.000 0.499 477 A N 2.257 125.019 122.820 -0.098 0.000 1.873 477 A HA 0.123 4.441 4.320 -0.003 0.000 0.215 477 A C 2.321 179.883 177.584 -0.036 0.000 1.186 477 A CA 1.586 53.578 52.037 -0.074 0.000 0.616 477 A CB -0.619 18.325 19.000 -0.092 0.000 0.823 477 A HN 0.469 nan 8.150 nan 0.000 0.442 478 M N -0.141 119.444 119.600 -0.025 0.000 2.132 478 M HA -0.047 4.431 4.480 -0.003 0.000 0.263 478 M C 2.500 178.801 176.300 0.002 0.000 1.065 478 M CA 1.438 56.740 55.300 0.004 0.000 1.122 478 M CB -1.704 30.916 32.600 0.032 0.000 1.365 478 M HN 0.466 nan 8.290 nan 0.000 0.411 479 A N 0.049 122.865 122.820 -0.006 0.000 1.908 479 A HA -0.142 4.176 4.320 -0.003 0.000 0.218 479 A C 2.343 179.926 177.584 -0.001 0.000 1.181 479 A CA 1.445 53.480 52.037 -0.003 0.000 0.627 479 A CB -0.979 18.016 19.000 -0.008 0.000 0.818 479 A HN 0.472 nan 8.150 nan 0.000 0.445 480 L N 0.140 121.359 121.223 -0.007 0.000 2.217 480 L HA -0.127 4.211 4.340 -0.003 0.000 0.211 480 L C 2.969 179.838 176.870 -0.002 0.000 1.107 480 L CA 1.229 56.069 54.840 -0.001 0.000 0.783 480 L CB -0.266 41.790 42.059 -0.004 0.000 0.919 480 L HN 0.635 nan 8.230 nan 0.000 0.442 481 S N -0.070 115.628 115.700 -0.003 0.000 2.368 481 S HA -0.143 4.325 4.470 -0.003 0.000 0.224 481 S C 1.948 176.548 174.600 -0.001 0.000 1.029 481 S CA 1.326 59.525 58.200 -0.001 0.000 0.988 481 S CB -0.625 62.578 63.200 0.004 0.000 0.838 481 S HN 0.268 nan 8.310 nan 0.000 0.462 482 V N 0.894 120.810 119.914 0.002 0.000 2.515 482 V HA -0.006 4.112 4.120 -0.003 0.000 0.250 482 V C 2.560 178.654 176.094 -0.001 0.000 1.058 482 V CA 1.498 63.800 62.300 0.002 0.000 1.064 482 V CB -1.281 30.544 31.823 0.004 0.000 0.675 482 V HN 0.472 nan 8.190 nan 0.000 0.461 483 L N -0.049 121.175 121.223 0.002 0.000 2.093 483 L HA -0.075 4.263 4.340 -0.003 0.000 0.208 483 L C 2.624 179.490 176.870 -0.006 0.000 1.085 483 L CA 1.071 55.913 54.840 0.005 0.000 0.755 483 L CB -0.506 41.562 42.059 0.015 0.000 0.904 483 L HN 0.224 nan 8.230 nan 0.000 0.435 484 V N 0.037 119.942 119.914 -0.015 0.000 2.427 484 V HA -0.218 3.900 4.120 -0.003 0.000 0.248 484 V C 2.667 178.731 176.094 -0.049 0.000 1.051 484 V CA 1.685 63.963 62.300 -0.038 0.000 1.048 484 V CB -0.789 31.012 31.823 -0.036 0.000 0.666 484 V HN 0.461 nan 8.190 nan 0.000 0.456 485 A N -0.694 122.106 122.820 -0.032 0.000 2.066 485 A HA 0.018 4.336 4.320 -0.003 0.000 0.218 485 A C 2.028 179.590 177.584 -0.037 0.000 1.157 485 A CA 1.254 53.271 52.037 -0.034 0.000 0.670 485 A CB -0.300 18.689 19.000 -0.018 0.000 0.804 485 A HN 0.538 nan 8.150 nan 0.000 0.453 486 L N -1.645 119.562 121.223 -0.027 0.000 2.693 486 L HA 0.317 4.655 4.340 -0.003 0.000 0.235 486 L C 1.522 178.380 176.870 -0.020 0.000 1.127 486 L CA 0.105 54.932 54.840 -0.022 0.000 0.914 486 L CB 0.239 42.297 42.059 -0.002 0.000 1.193 486 L HN 0.327 nan 8.230 nan 0.000 0.502 487 I N -1.931 118.621 120.570 -0.030 0.000 3.650 487 I HA -0.031 4.137 4.170 -0.003 0.000 0.261 487 I C 1.643 177.714 176.117 -0.077 0.000 1.154 487 I CA 0.207 61.493 61.300 -0.023 0.000 1.418 487 I CB 0.357 38.366 38.000 0.014 0.000 1.539 487 I HN -0.000 nan 8.210 nan 0.000 0.449 488 L N 0.411 121.561 121.223 -0.123 0.000 2.145 488 L HA 0.024 4.362 4.340 -0.003 0.000 0.201 488 L C 2.350 179.092 176.870 -0.213 0.000 1.075 488 L CA 2.023 56.721 54.840 -0.237 0.000 0.773 488 L CB -0.537 41.325 42.059 -0.328 0.000 0.936 488 L HN 0.144 nan 8.230 nan 0.000 0.451 489 T N 0.781 115.248 114.554 -0.146 0.000 2.684 489 T HA -0.115 4.233 4.350 -0.003 0.000 0.267 489 T C -0.573 174.067 174.700 -0.099 0.000 1.036 489 T CA 1.981 64.015 62.100 -0.109 0.000 1.148 489 T CB -1.297 67.526 68.868 -0.075 0.000 0.863 489 T HN 0.284 nan 8.240 nan 0.000 0.436 490 P HA 0.009 nan 4.420 nan 0.000 0.216 490 P C 1.461 178.700 177.300 -0.102 0.000 1.150 490 P CA 1.224 64.255 63.100 -0.115 0.000 0.837 490 P CB -0.211 31.403 31.700 -0.143 0.000 0.786 491 A N -0.753 122.005 122.820 -0.103 0.000 1.969 491 A HA -0.106 4.212 4.320 -0.003 0.000 0.218 491 A C 2.138 179.698 177.584 -0.041 0.000 1.169 491 A CA 1.226 53.217 52.037 -0.076 0.000 0.635 491 A CB -1.477 17.470 19.000 -0.089 0.000 0.810 491 A HN 0.124 nan 8.150 nan 0.000 0.445 492 L N -1.158 120.027 121.223 -0.063 0.000 2.179 492 L HA -0.135 4.203 4.340 -0.003 0.000 0.208 492 L C 2.441 179.315 176.870 0.007 0.000 1.096 492 L CA 0.631 55.468 54.840 -0.004 0.000 0.779 492 L CB -0.635 41.407 42.059 -0.029 0.000 0.922 492 L HN 0.434 nan 8.230 nan 0.000 0.443 493 C N 0.051 119.337 119.300 -0.024 0.000 2.450 493 C HA -0.026 4.432 4.460 -0.003 0.000 0.279 493 C C 3.101 178.081 174.990 -0.017 0.000 1.335 493 C CA 0.732 59.737 59.018 -0.021 0.000 1.749 493 C CB -0.801 26.914 27.740 -0.042 0.000 1.963 493 C HN 0.589 nan 8.230 nan 0.000 0.501 494 A N 0.984 123.789 122.820 -0.024 0.000 1.897 494 A HA -0.120 4.198 4.320 -0.003 0.000 0.215 494 A C 2.255 179.843 177.584 0.007 0.000 1.181 494 A CA 2.403 54.430 52.037 -0.018 0.000 0.620 494 A CB -0.770 18.211 19.000 -0.032 0.000 0.821 494 A HN 0.642 nan 8.150 nan 0.000 0.443 495 T N -3.192 111.378 114.554 0.026 0.000 3.042 495 T HA 0.163 4.511 4.350 -0.003 0.000 0.245 495 T C 1.568 176.303 174.700 0.057 0.000 1.029 495 T CA 0.849 62.977 62.100 0.047 0.000 1.120 495 T CB -0.200 68.713 68.868 0.074 0.000 0.917 495 T HN 0.512 nan 8.240 nan 0.000 0.467 496 M N -0.061 119.580 119.600 0.068 0.000 2.346 496 M HA 0.541 5.019 4.480 -0.003 0.000 0.280 496 M C -0.372 175.964 176.300 0.060 0.000 1.075 496 M CA -0.480 54.866 55.300 0.077 0.000 0.989 496 M CB 0.232 32.904 32.600 0.120 0.000 1.447 496 M HN 0.032 nan 8.290 nan 0.000 0.511 497 L N 2.555 123.802 121.223 0.039 0.000 2.289 497 L HA 0.445 4.783 4.340 -0.003 0.000 0.285 497 L C -0.029 176.853 176.870 0.020 0.000 1.049 497 L CA -0.075 54.781 54.840 0.027 0.000 0.804 497 L CB 1.348 43.414 42.059 0.011 0.000 1.195 497 L HN 0.222 nan 8.230 nan 0.000 0.428 498 K N 6.650 127.061 120.400 0.018 0.000 2.368 498 K HA 0.285 4.603 4.320 -0.003 0.000 0.282 498 K C -2.226 174.375 176.600 0.002 0.000 1.035 498 K CA -1.409 54.886 56.287 0.012 0.000 0.973 498 K CB 0.607 33.116 32.500 0.014 0.000 0.957 498 K HN 0.418 nan 8.250 nan 0.000 0.474 499 P HA 0.072 nan 4.420 nan 0.000 0.268 499 P C -0.692 176.601 177.300 -0.010 0.000 1.205 499 P CA 0.276 63.374 63.100 -0.004 0.000 0.771 499 P CB 0.623 32.322 31.700 -0.001 0.000 0.858 500 I N 1.366 121.925 120.570 -0.018 0.000 2.533 500 I HA 0.420 4.588 4.170 -0.003 0.000 0.290 500 I C 0.382 176.479 176.117 -0.033 0.000 1.056 500 I CA -1.108 60.175 61.300 -0.028 0.000 1.057 500 I CB 2.138 40.113 38.000 -0.040 0.000 1.240 500 I HN 0.342 nan 8.210 nan 0.000 0.423 501 A N 6.044 128.845 122.820 -0.032 0.000 2.332 501 A HA 0.309 4.627 4.320 -0.003 0.000 0.258 501 A C 0.098 177.651 177.584 -0.051 0.000 1.087 501 A CA -0.327 51.692 52.037 -0.030 0.000 0.802 501 A CB 0.452 19.441 19.000 -0.018 0.000 1.042 501 A HN 0.760 nan 8.150 nan 0.000 0.489 502 K N 0.312 120.688 120.400 -0.040 0.000 2.436 502 K HA 0.290 4.608 4.320 -0.003 0.000 0.275 502 K C 1.062 177.629 176.600 -0.055 0.000 0.999 502 K CA 1.083 57.341 56.287 -0.048 0.000 0.980 502 K CB -0.047 32.443 32.500 -0.017 0.000 0.919 502 K HN 1.678 nan 8.250 nan 0.000 0.484 503 G N 3.108 111.856 108.800 -0.087 0.000 2.225 503 G HA2 -0.273 3.685 3.960 -0.003 0.000 0.267 503 G HA3 -0.273 3.685 3.960 -0.003 0.000 0.267 503 G C 0.474 175.347 174.900 -0.045 0.000 1.024 503 G CA 0.554 45.636 45.100 -0.031 0.000 0.784 503 G HN 0.898 nan 8.290 nan 0.000 0.507 504 D N -0.076 120.211 120.400 -0.189 0.000 2.165 504 D HA -0.051 4.587 4.640 -0.003 0.000 0.213 504 D C 1.558 177.848 176.300 -0.017 0.000 0.983 504 D CA 1.136 55.081 54.000 -0.092 0.000 0.881 504 D CB -0.146 40.598 40.800 -0.093 0.000 1.028 504 D HN 0.558 nan 8.370 nan 0.000 0.457 505 H N -1.217 117.869 119.070 0.027 0.000 2.971 505 H HA -0.178 4.376 4.556 -0.003 0.000 0.281 505 H C 1.216 176.570 175.328 0.043 0.000 1.131 505 H CA 1.111 57.182 56.048 0.038 0.000 1.166 505 H CB -1.840 27.941 29.762 0.032 0.000 1.311 505 H HN 0.492 nan 8.280 nan 0.000 0.349 506 G N 0.350 109.207 108.800 0.096 0.000 2.212 506 G HA2 -0.396 3.561 3.960 -0.003 0.000 0.267 506 G HA3 -0.396 3.561 3.960 -0.003 0.000 0.267 506 G C 0.903 175.862 174.900 0.097 0.000 1.002 506 G CA 0.993 46.140 45.100 0.078 0.000 0.729 506 G HN 0.659 nan 8.290 nan 0.000 0.517 507 E N -0.306 119.956 120.200 0.104 0.000 2.482 507 E HA 0.158 4.506 4.350 -0.003 0.000 0.196 507 E C 1.970 178.617 176.600 0.079 0.000 1.047 507 E CA 0.298 56.751 56.400 0.088 0.000 0.869 507 E CB 0.058 29.798 29.700 0.066 0.000 0.836 507 E HN 0.453 nan 8.360 nan 0.000 0.520 508 G N 1.955 110.801 108.800 0.077 0.000 3.458 508 G HA2 0.139 4.097 3.960 -0.003 0.000 0.256 508 G HA3 0.139 4.097 3.960 -0.003 0.000 0.256 508 G C -0.247 174.709 174.900 0.093 0.000 0.938 508 G CA -0.171 44.973 45.100 0.073 0.000 1.890 508 G HN -0.144 nan 8.290 nan 0.000 0.639 509 K N 0.871 121.346 120.400 0.124 0.000 2.535 509 K HA 0.434 4.752 4.320 -0.003 0.000 0.251 509 K C -0.555 176.171 176.600 0.209 0.000 0.942 509 K CA -0.898 55.491 56.287 0.169 0.000 0.798 509 K CB 1.823 34.444 32.500 0.202 0.000 1.267 509 K HN 0.180 nan 8.250 nan 0.000 0.434 510 K N 2.305 122.833 120.400 0.214 0.000 2.295 510 K HA 0.823 5.141 4.320 -0.003 0.000 0.239 510 K C 0.414 177.155 176.600 0.235 0.000 0.991 510 K CA 0.032 56.464 56.287 0.242 0.000 0.845 510 K CB 1.430 34.038 32.500 0.180 0.000 1.197 510 K HN 0.737 nan 8.250 nan 0.000 0.441 511 G N 0.972 109.898 108.800 0.211 0.000 4.244 511 G HA2 -0.280 3.677 3.960 -0.003 0.000 0.222 511 G HA3 -0.280 3.677 3.960 -0.003 0.000 0.222 511 G C 0.424 175.045 174.900 -0.465 0.000 1.665 511 G CA 0.273 45.363 45.100 -0.016 0.000 1.315 511 G HN 0.542 nan 8.290 nan 0.000 0.637 512 F N -0.961 118.738 119.950 -0.419 0.000 2.557 512 F HA 0.474 4.999 4.527 -0.003 0.000 0.300 512 F C 1.971 177.645 175.800 -0.209 0.000 0.867 512 F CA 0.381 58.017 58.000 -0.606 0.000 1.085 512 F CB 0.147 38.620 39.000 -0.877 0.000 0.907 512 F HN 0.173 nan 8.300 nan 0.000 0.700 513 F N -0.573 119.612 119.950 0.392 0.000 2.473 513 F HA 0.225 4.750 4.527 -0.003 0.000 0.294 513 F C 2.374 178.398 175.800 0.374 0.000 1.103 513 F CA 0.951 59.160 58.000 0.349 0.000 1.442 513 F CB -0.792 38.298 39.000 0.150 0.000 1.097 513 F HN -0.022 nan 8.300 nan 0.000 0.547 514 G N -1.249 107.838 108.800 0.478 0.000 2.683 514 G HA2 -0.150 3.808 3.960 -0.003 0.000 0.213 514 G HA3 -0.150 3.808 3.960 -0.003 0.000 0.213 514 G C 1.007 176.120 174.900 0.355 0.000 1.142 514 G CA -0.099 45.217 45.100 0.360 0.000 0.793 514 G HN 0.245 nan 8.290 nan 0.000 0.534 515 W N 0.856 122.205 121.300 0.082 0.000 2.350 515 W HA 0.044 4.702 4.660 -0.003 0.000 0.289 515 W C 1.951 178.393 176.519 -0.127 0.000 1.215 515 W CA 0.519 57.805 57.345 -0.099 0.000 1.236 515 W CB -0.568 28.719 29.460 -0.288 0.000 1.130 515 W HN 0.221 nan 8.180 nan 0.000 0.541 516 F N 0.099 120.145 119.950 0.161 0.000 2.163 516 F HA -0.172 4.353 4.527 -0.003 0.000 0.297 516 F C 1.982 177.793 175.800 0.018 0.000 1.094 516 F CA 1.569 59.595 58.000 0.044 0.000 1.290 516 F CB -1.122 37.874 39.000 -0.006 0.000 1.017 516 F HN -0.193 nan 8.300 nan 0.000 0.483 517 N N 0.141 118.986 118.700 0.241 0.000 2.109 517 N HA -0.079 4.659 4.740 -0.003 0.000 0.188 517 N C 1.747 177.333 175.510 0.125 0.000 1.034 517 N CA 1.072 54.226 53.050 0.174 0.000 0.846 517 N CB -0.347 38.232 38.487 0.153 0.000 1.010 517 N HN 0.030 nan 8.380 nan 0.000 0.425 518 R N 0.196 120.730 120.500 0.056 0.000 2.096 518 R HA -0.004 4.334 4.340 -0.003 0.000 0.235 518 R C 2.174 178.439 176.300 -0.059 0.000 1.127 518 R CA 0.949 57.035 56.100 -0.025 0.000 0.968 518 R CB -0.261 29.996 30.300 -0.073 0.000 0.861 518 R HN 0.268 nan 8.270 nan 0.000 0.440 519 M N -0.257 119.310 119.600 -0.055 0.000 2.080 519 M HA -0.203 4.275 4.480 -0.003 0.000 0.260 519 M C 1.758 178.046 176.300 -0.020 0.000 1.068 519 M CA 1.848 57.103 55.300 -0.075 0.000 1.109 519 M CB -0.384 32.161 32.600 -0.092 0.000 1.342 519 M HN 0.157 nan 8.290 nan 0.000 0.405 520 F N 1.221 121.106 119.950 -0.107 0.000 2.163 520 F HA -0.129 4.396 4.527 -0.003 0.000 0.297 520 F C 2.202 177.944 175.800 -0.096 0.000 1.094 520 F CA 1.905 59.840 58.000 -0.107 0.000 1.290 520 F CB -0.455 38.498 39.000 -0.078 0.000 1.017 520 F HN 0.222 nan 8.300 nan 0.000 0.483 521 E N 0.584 120.738 120.200 -0.077 0.000 2.150 521 E HA -0.150 4.198 4.350 -0.003 0.000 0.193 521 E C 2.029 178.481 176.600 -0.246 0.000 0.985 521 E CA 1.377 57.666 56.400 -0.184 0.000 0.814 521 E CB -0.174 29.463 29.700 -0.105 0.000 0.752 521 E HN 0.368 nan 8.360 nan 0.000 0.466 522 K N -0.466 119.819 120.400 -0.192 0.000 2.076 522 K HA -0.027 4.291 4.320 -0.003 0.000 0.204 522 K C 2.191 178.728 176.600 -0.105 0.000 1.051 522 K CA 1.226 57.425 56.287 -0.147 0.000 0.949 522 K CB -0.028 32.400 32.500 -0.119 0.000 0.726 522 K HN 0.172 nan 8.250 nan 0.000 0.443 523 S N 0.107 115.677 115.700 -0.217 0.000 2.428 523 S HA -0.115 4.353 4.470 -0.003 0.000 0.230 523 S C 2.065 176.399 174.600 -0.443 0.000 1.014 523 S CA 1.508 59.525 58.200 -0.305 0.000 0.957 523 S CB -0.322 62.624 63.200 -0.424 0.000 0.784 523 S HN 0.188 nan 8.310 nan 0.000 0.499 524 T N 0.522 114.775 114.554 -0.501 0.000 2.951 524 T HA -0.061 4.287 4.350 -0.003 0.000 0.268 524 T C 1.627 176.280 174.700 -0.079 0.000 1.073 524 T CA 1.316 63.164 62.100 -0.420 0.000 1.134 524 T CB -0.422 68.087 68.868 -0.599 0.000 0.884 524 T HN 0.587 nan 8.240 nan 0.000 0.479 525 H N -0.702 118.272 119.070 -0.160 0.000 2.372 525 H HA 0.132 4.686 4.556 -0.003 0.000 0.301 525 H C 2.031 177.361 175.328 0.003 0.000 1.065 525 H CA 1.665 57.668 56.048 -0.076 0.000 1.364 525 H CB -0.395 29.320 29.762 -0.078 0.000 1.406 525 H HN 0.513 nan 8.280 nan 0.000 0.521 526 H N -0.975 118.144 119.070 0.082 0.000 2.387 526 H HA -0.162 4.392 4.556 -0.003 0.000 0.299 526 H C 1.418 176.876 175.328 0.217 0.000 1.090 526 H CA 1.654 57.771 56.048 0.115 0.000 1.332 526 H CB 0.047 29.873 29.762 0.107 0.000 1.386 526 H HN 0.257 nan 8.280 nan 0.000 0.516 527 Y N -0.560 119.798 120.300 0.098 0.000 2.133 527 Y HA -0.175 4.373 4.550 -0.003 0.000 0.287 527 Y C 3.014 178.884 175.900 -0.050 0.000 1.134 527 Y CA 1.630 59.755 58.100 0.040 0.000 1.133 527 Y CB -1.098 37.339 38.460 -0.039 0.000 0.987 527 Y HN 0.215 nan 8.280 nan 0.000 0.502 528 T N -0.426 114.166 114.554 0.063 0.000 2.849 528 T HA -0.158 4.190 4.350 -0.003 0.000 0.270 528 T C 1.463 176.112 174.700 -0.085 0.000 1.066 528 T CA 1.740 63.801 62.100 -0.065 0.000 1.130 528 T CB -0.298 68.483 68.868 -0.145 0.000 0.864 528 T HN 0.232 nan 8.240 nan 0.000 0.481 529 D N 0.716 121.069 120.400 -0.078 0.000 2.117 529 D HA -0.046 4.592 4.640 -0.003 0.000 0.198 529 D C 2.502 178.751 176.300 -0.085 0.000 0.982 529 D CA 1.616 55.555 54.000 -0.102 0.000 0.828 529 D CB -0.426 40.289 40.800 -0.140 0.000 0.967 529 D HN 0.593 nan 8.370 nan 0.000 0.464 530 S N -0.292 115.379 115.700 -0.049 0.000 2.489 530 S HA -0.035 4.433 4.470 -0.003 0.000 0.228 530 S C 2.101 176.690 174.600 -0.018 0.000 0.995 530 S CA 0.282 58.466 58.200 -0.026 0.000 0.934 530 S CB -0.255 62.963 63.200 0.029 0.000 0.771 530 S HN 0.045 nan 8.310 nan 0.000 0.522 531 V N 2.165 122.061 119.914 -0.029 0.000 2.453 531 V HA 0.022 4.140 4.120 -0.003 0.000 0.247 531 V C 2.831 178.855 176.094 -0.117 0.000 1.048 531 V CA 1.716 63.967 62.300 -0.081 0.000 1.049 531 V CB -1.459 30.285 31.823 -0.133 0.000 0.672 531 V HN 0.637 nan 8.190 nan 0.000 0.457 532 G N 0.117 108.856 108.800 -0.101 0.000 2.422 532 G HA2 -0.117 3.841 3.960 -0.003 0.000 0.218 532 G HA3 -0.117 3.841 3.960 -0.003 0.000 0.218 532 G C 1.604 176.445 174.900 -0.099 0.000 1.140 532 G CA 0.872 45.914 45.100 -0.097 0.000 0.775 532 G HN 0.568 nan 8.290 nan 0.000 0.545 533 G N 1.587 110.329 108.800 -0.097 0.000 2.408 533 G HA2 -0.102 3.856 3.960 -0.003 0.000 0.217 533 G HA3 -0.102 3.856 3.960 -0.003 0.000 0.217 533 G C 1.765 176.587 174.900 -0.128 0.000 1.150 533 G CA 1.157 46.203 45.100 -0.089 0.000 0.776 533 G HN 0.665 nan 8.290 nan 0.000 0.542 534 I N -1.629 118.808 120.570 -0.221 0.000 2.830 534 I HA 0.185 4.353 4.170 -0.003 0.000 0.263 534 I C 2.041 177.925 176.117 -0.388 0.000 1.230 534 I CA 0.923 61.939 61.300 -0.474 0.000 1.480 534 I CB -0.111 37.424 38.000 -0.775 0.000 1.095 534 I HN 0.039 nan 8.210 nan 0.000 0.455 535 L N -0.012 121.073 121.223 -0.231 0.000 2.529 535 L HA 0.207 4.545 4.340 -0.003 0.000 0.223 535 L C 2.520 179.329 176.870 -0.101 0.000 1.113 535 L CA 0.215 54.958 54.840 -0.162 0.000 0.861 535 L CB -0.421 41.565 42.059 -0.123 0.000 1.012 535 L HN 0.141 nan 8.230 nan 0.000 0.461 536 R N 0.326 120.773 120.500 -0.088 0.000 2.119 536 R HA -0.122 4.216 4.340 -0.003 0.000 0.246 536 R C 0.719 176.998 176.300 -0.034 0.000 1.146 536 R CA 1.513 57.582 56.100 -0.051 0.000 0.962 536 R CB -0.228 30.050 30.300 -0.038 0.000 0.863 536 R HN 0.431 nan 8.270 nan 0.000 0.442 537 S N -2.645 113.036 115.700 -0.032 0.000 2.537 537 S HA 0.184 4.652 4.470 -0.003 0.000 0.270 537 S C 0.510 175.107 174.600 -0.004 0.000 1.142 537 S CA -0.860 57.335 58.200 -0.008 0.000 0.870 537 S CB 1.998 65.208 63.200 0.017 0.000 1.112 537 S HN 0.018 nan 8.310 nan 0.000 0.466 538 T N 2.292 116.849 114.554 0.005 0.000 2.685 538 T HA 0.167 4.515 4.350 -0.003 0.000 0.268 538 T C 1.442 176.228 174.700 0.143 0.000 1.034 538 T CA 2.067 64.183 62.100 0.026 0.000 1.149 538 T CB -1.466 67.428 68.868 0.044 0.000 0.860 538 T HN 1.894 nan 8.240 nan 0.000 0.449 539 G N 0.697 109.582 108.800 0.143 0.000 2.641 539 G HA2 -0.356 3.602 3.960 -0.003 0.000 0.254 539 G HA3 -0.356 3.602 3.960 -0.003 0.000 0.254 539 G C 0.455 175.436 174.900 0.135 0.000 1.315 539 G CA 0.472 45.678 45.100 0.177 0.000 0.907 539 G HN 0.389 nan 8.290 nan 0.000 0.572 540 R N -0.658 119.832 120.500 -0.016 0.000 2.341 540 R HA 0.060 4.398 4.340 -0.003 0.000 0.213 540 R C 2.303 178.546 176.300 -0.096 0.000 1.082 540 R CA 2.166 58.201 56.100 -0.109 0.000 1.017 540 R CB -0.545 29.621 30.300 -0.223 0.000 0.860 540 R HN 0.629 nan 8.270 nan 0.000 0.473 541 Y N -1.185 119.134 120.300 0.032 0.000 2.242 541 Y HA -0.170 4.377 4.550 -0.003 0.000 0.291 541 Y C 1.785 177.858 175.900 0.289 0.000 1.137 541 Y CA 0.904 59.052 58.100 0.079 0.000 1.181 541 Y CB -0.285 38.061 38.460 -0.191 0.000 0.989 541 Y HN 0.054 nan 8.280 nan 0.000 0.527 542 L N -0.849 120.585 121.223 0.352 0.000 2.093 542 L HA -0.128 4.210 4.340 -0.003 0.000 0.208 542 L C 2.161 179.226 176.870 0.325 0.000 1.085 542 L CA 1.107 56.161 54.840 0.358 0.000 0.755 542 L CB -0.500 41.703 42.059 0.240 0.000 0.904 542 L HN 0.033 nan 8.230 nan 0.000 0.435 543 V N -0.925 119.111 119.914 0.203 0.000 2.358 543 V HA -0.256 3.862 4.120 -0.003 0.000 0.246 543 V C 2.370 178.542 176.094 0.131 0.000 1.047 543 V CA 1.524 63.902 62.300 0.130 0.000 1.035 543 V CB -0.643 31.217 31.823 0.061 0.000 0.658 543 V HN 0.409 nan 8.190 nan 0.000 0.452 544 L N -0.331 120.988 121.223 0.160 0.000 2.079 544 L HA -0.217 4.121 4.340 -0.003 0.000 0.210 544 L C 2.336 179.322 176.870 0.194 0.000 1.081 544 L CA 2.093 57.030 54.840 0.161 0.000 0.752 544 L CB -0.826 41.349 42.059 0.194 0.000 0.896 544 L HN 0.486 nan 8.230 nan 0.000 0.433 545 Y N -0.617 119.797 120.300 0.190 0.000 2.207 545 Y HA -0.267 4.281 4.550 -0.003 0.000 0.287 545 Y C 2.126 178.049 175.900 0.039 0.000 1.156 545 Y CA 1.927 60.076 58.100 0.082 0.000 1.182 545 Y CB -0.099 38.527 38.460 0.277 0.000 0.979 545 Y HN 0.201 nan 8.280 nan 0.000 0.521 546 L N -0.199 120.997 121.223 -0.044 0.000 2.093 546 L HA -0.196 4.142 4.340 -0.003 0.000 0.208 546 L C 2.248 179.032 176.870 -0.144 0.000 1.085 546 L CA 1.284 56.033 54.840 -0.153 0.000 0.755 546 L CB -0.504 41.548 42.059 -0.011 0.000 0.904 546 L HN 0.297 nan 8.230 nan 0.000 0.435 547 I N -0.354 120.172 120.570 -0.073 0.000 2.439 547 I HA -0.238 3.930 4.170 -0.003 0.000 0.251 547 I C 2.368 178.436 176.117 -0.083 0.000 1.139 547 I CA 1.131 62.393 61.300 -0.063 0.000 1.438 547 I CB -0.202 37.780 38.000 -0.031 0.000 1.085 547 I HN 0.151 nan 8.210 nan 0.000 0.427 548 I N 0.250 120.751 120.570 -0.115 0.000 2.226 548 I HA -0.241 3.927 4.170 -0.003 0.000 0.245 548 I C 2.504 178.520 176.117 -0.169 0.000 1.100 548 I CA 1.195 62.416 61.300 -0.132 0.000 1.374 548 I CB -0.258 37.643 38.000 -0.165 0.000 1.057 548 I HN 0.025 nan 8.210 nan 0.000 0.413 549 V N 0.116 119.860 119.914 -0.283 0.000 2.358 549 V HA -0.207 3.911 4.120 -0.003 0.000 0.246 549 V C 2.408 178.419 176.094 -0.138 0.000 1.047 549 V CA 1.333 63.476 62.300 -0.263 0.000 1.035 549 V CB -0.247 31.337 31.823 -0.399 0.000 0.658 549 V HN 0.220 nan 8.190 nan 0.000 0.452 550 V N 0.992 120.840 119.914 -0.111 0.000 2.332 550 V HA -0.212 3.906 4.120 -0.003 0.000 0.248 550 V C 2.622 178.723 176.094 0.011 0.000 1.055 550 V CA 2.278 64.550 62.300 -0.046 0.000 1.038 550 V CB -1.349 30.444 31.823 -0.050 0.000 0.651 550 V HN 0.618 nan 8.190 nan 0.000 0.450 551 G N -1.168 107.632 108.800 -0.000 0.000 2.418 551 G HA2 -0.317 3.641 3.960 -0.003 0.000 0.217 551 G HA3 -0.317 3.641 3.960 -0.003 0.000 0.217 551 G C 1.631 176.585 174.900 0.091 0.000 1.158 551 G CA 1.075 46.209 45.100 0.056 0.000 0.771 551 G HN 0.399 nan 8.290 nan 0.000 0.545 552 M N 0.879 120.497 119.600 0.031 0.000 2.159 552 M HA -0.033 4.445 4.480 -0.003 0.000 0.263 552 M C 2.769 179.116 176.300 0.079 0.000 1.063 552 M CA 1.726 57.050 55.300 0.041 0.000 1.110 552 M CB -0.226 32.356 32.600 -0.030 0.000 1.374 552 M HN 0.308 nan 8.290 nan 0.000 0.411 553 A N -0.682 122.167 122.820 0.047 0.000 1.873 553 A HA -0.241 4.077 4.320 -0.003 0.000 0.215 553 A C 1.921 179.604 177.584 0.164 0.000 1.186 553 A CA 1.523 53.597 52.037 0.062 0.000 0.616 553 A CB -1.248 17.765 19.000 0.021 0.000 0.823 553 A HN 0.683 nan 8.150 nan 0.000 0.442 554 Y N 0.114 120.445 120.300 0.051 0.000 2.200 554 Y HA -0.068 4.480 4.550 -0.004 0.000 0.290 554 Y C 1.945 177.891 175.900 0.076 0.000 1.137 554 Y CA 1.577 59.711 58.100 0.057 0.000 1.163 554 Y CB -0.287 38.190 38.460 0.029 0.000 0.988 554 Y HN 0.203 nan 8.280 nan 0.000 0.518 555 L N -1.316 119.962 121.223 0.092 0.000 2.131 555 L HA -0.217 4.121 4.340 -0.003 0.000 0.210 555 L C 2.204 179.070 176.870 -0.006 0.000 1.092 555 L CA 1.387 56.237 54.840 0.017 0.000 0.759 555 L CB -0.593 41.523 42.059 0.095 0.000 0.903 555 L HN 0.260 nan 8.230 nan 0.000 0.435 556 F N -0.538 119.374 119.950 -0.063 0.000 2.113 556 F HA -0.190 4.335 4.527 -0.003 0.000 0.297 556 F C 2.248 177.999 175.800 -0.082 0.000 1.103 556 F CA 1.469 59.442 58.000 -0.045 0.000 1.248 556 F CB -0.083 38.904 39.000 -0.023 0.000 0.999 556 F HN -0.265 nan 8.300 nan 0.000 0.475 557 V N 0.612 120.595 119.914 0.116 0.000 2.490 557 V HA -0.237 3.881 4.120 -0.003 0.000 0.250 557 V C 2.287 178.284 176.094 -0.162 0.000 1.061 557 V CA 1.662 63.963 62.300 0.002 0.000 1.064 557 V CB -0.648 31.176 31.823 0.002 0.000 0.670 557 V HN 0.257 nan 8.190 nan 0.000 0.461 558 R N -0.649 119.678 120.500 -0.288 0.000 2.276 558 R HA 0.224 4.562 4.340 -0.003 0.000 0.196 558 R C 0.780 176.949 176.300 -0.219 0.000 0.961 558 R CA 0.024 55.944 56.100 -0.300 0.000 1.024 558 R CB -0.137 29.883 30.300 -0.467 0.000 0.940 558 R HN 0.376 nan 8.270 nan 0.000 0.480 559 L N 4.753 125.832 121.223 -0.240 0.000 2.369 559 L HA 0.185 4.523 4.340 -0.003 0.000 0.279 559 L C -1.933 174.787 176.870 -0.250 0.000 1.108 559 L CA -1.559 53.124 54.840 -0.261 0.000 0.852 559 L CB 1.095 42.943 42.059 -0.352 0.000 1.169 559 L HN -0.148 nan 8.230 nan 0.000 0.452 560 P HA 0.075 nan 4.420 nan 0.000 0.272 560 P C -1.101 176.103 177.300 -0.161 0.000 1.223 560 P CA -0.313 62.697 63.100 -0.150 0.000 0.784 560 P CB 1.012 32.646 31.700 -0.110 0.000 0.923 561 S N 0.456 116.086 115.700 -0.117 0.000 2.473 561 S HA 0.629 5.097 4.470 -0.003 0.000 0.307 561 S C -0.117 174.459 174.600 -0.039 0.000 1.094 561 S CA -0.556 57.592 58.200 -0.087 0.000 1.070 561 S CB 1.158 64.317 63.200 -0.068 0.000 1.019 561 S HN 0.371 nan 8.310 nan 0.000 0.480 562 S N 0.947 116.642 115.700 -0.009 0.000 2.776 562 S HA 0.668 5.136 4.470 -0.003 0.000 0.306 562 S C -0.101 174.562 174.600 0.106 0.000 1.114 562 S CA -0.589 57.636 58.200 0.042 0.000 0.973 562 S CB 0.825 64.051 63.200 0.044 0.000 1.250 562 S HN 0.754 nan 8.310 nan 0.000 0.549 563 F N 0.138 120.071 119.950 -0.028 0.000 2.389 563 F HA 0.608 5.133 4.527 -0.004 0.000 0.275 563 F C -0.467 175.307 175.800 -0.044 0.000 1.009 563 F CA 0.331 58.306 58.000 -0.041 0.000 1.187 563 F CB 0.146 39.120 39.000 -0.043 0.000 1.139 563 F HN 0.334 nan 8.300 nan 0.000 0.613 564 L N 1.740 122.950 121.223 -0.023 0.000 2.493 564 L HA 0.466 4.804 4.340 -0.003 0.000 0.265 564 L C -2.544 174.412 176.870 0.143 0.000 0.954 564 L CA -2.047 52.740 54.840 -0.087 0.000 0.844 564 L CB 1.535 43.515 42.059 -0.133 0.000 1.302 564 L HN -0.016 nan 8.230 nan 0.000 0.405 565 P HA 0.178 nan 4.420 nan 0.000 0.271 565 P C -0.987 176.447 177.300 0.222 0.000 1.216 565 P CA -0.281 62.943 63.100 0.206 0.000 0.776 565 P CB 0.676 32.513 31.700 0.229 0.000 0.881 566 D N 1.800 122.305 120.400 0.175 0.000 2.360 566 D HA 0.199 4.837 4.640 -0.003 0.000 0.242 566 D C 0.524 176.916 176.300 0.153 0.000 1.184 566 D CA 0.367 54.463 54.000 0.161 0.000 0.930 566 D CB 0.895 41.771 40.800 0.127 0.000 1.161 566 D HN 0.381 nan 8.370 nan 0.000 0.447 567 E N 0.106 120.372 120.200 0.111 0.000 2.416 567 E HA 0.167 4.515 4.350 -0.003 0.000 0.273 567 E C -0.903 175.701 176.600 0.007 0.000 0.935 567 E CA -0.693 55.754 56.400 0.079 0.000 0.784 567 E CB 1.960 31.720 29.700 0.099 0.000 1.301 567 E HN 0.319 nan 8.360 nan 0.000 0.454 568 D N 1.303 121.751 120.400 0.080 0.000 2.317 568 D HA 0.049 4.687 4.640 -0.003 0.000 0.252 568 D C -0.053 176.313 176.300 0.110 0.000 1.174 568 D CA 0.280 54.374 54.000 0.156 0.000 0.866 568 D CB 0.735 41.722 40.800 0.313 0.000 1.127 568 D HN 0.270 nan 8.370 nan 0.000 0.467 569 Q N 2.138 121.921 119.800 -0.029 0.000 2.194 569 Q HA 0.207 4.545 4.340 -0.003 0.000 0.214 569 Q C 1.126 177.211 176.000 0.142 0.000 0.838 569 Q CA 0.012 55.712 55.803 -0.171 0.000 0.972 569 Q CB 1.157 29.598 28.738 -0.495 0.000 1.131 569 Q HN 0.801 nan 8.270 nan 0.000 0.498 570 G N 0.994 109.760 108.800 -0.056 0.000 2.155 570 G HA2 -0.261 3.696 3.960 -0.003 0.000 0.257 570 G HA3 -0.261 3.696 3.960 -0.003 0.000 0.257 570 G C -0.054 174.727 174.900 -0.199 0.000 0.983 570 G CA 0.493 45.346 45.100 -0.412 0.000 0.676 570 G HN 0.280 nan 8.290 nan 0.000 0.528 571 V N 0.137 120.010 119.914 -0.068 0.000 2.924 571 V HA 0.793 4.911 4.120 -0.003 0.000 0.300 571 V C -0.513 175.657 176.094 0.128 0.000 1.227 571 V CA -0.257 61.973 62.300 -0.116 0.000 0.954 571 V CB 1.982 33.580 31.823 -0.374 0.000 1.055 571 V HN 1.181 nan 8.190 nan 0.000 0.429 572 F N 3.500 123.494 119.950 0.074 0.000 2.985 572 F HA 0.904 5.429 4.527 -0.004 0.000 0.322 572 F C -1.032 174.858 175.800 0.149 0.000 1.187 572 F CA -1.285 56.780 58.000 0.110 0.000 0.910 572 F CB 1.815 40.819 39.000 0.007 0.000 1.411 572 F HN 0.508 nan 8.300 nan 0.000 0.492 573 M N 0.753 120.437 119.600 0.139 0.000 2.618 573 M HA 0.738 5.216 4.480 -0.003 0.000 0.281 573 M C -1.549 174.535 176.300 -0.360 0.000 1.267 573 M CA -0.656 54.562 55.300 -0.137 0.000 0.845 573 M CB 2.164 34.718 32.600 -0.076 0.000 1.732 573 M HN 0.823 nan 8.290 nan 0.000 0.461 574 T N 2.234 116.697 114.554 -0.152 0.000 2.921 574 T HA 0.705 5.053 4.350 -0.003 0.000 0.297 574 T C -0.900 173.890 174.700 0.150 0.000 1.013 574 T CA -0.834 61.298 62.100 0.054 0.000 0.990 574 T CB 1.304 70.359 68.868 0.312 0.000 1.023 574 T HN 0.841 nan 8.240 nan 0.000 0.447 575 M N 3.371 123.187 119.600 0.359 0.000 2.367 575 M HA 0.858 5.336 4.480 -0.003 0.000 0.339 575 M C -1.216 175.192 176.300 0.179 0.000 1.177 575 M CA -0.822 54.660 55.300 0.302 0.000 1.068 575 M CB 1.574 34.432 32.600 0.430 0.000 1.602 575 M HN 0.231 nan 8.290 nan 0.000 0.457 576 V N 1.652 121.621 119.914 0.092 0.000 2.656 576 V HA 0.544 4.662 4.120 -0.003 0.000 0.307 576 V C -0.704 175.414 176.094 0.041 0.000 1.051 576 V CA -0.481 61.832 62.300 0.022 0.000 0.893 576 V CB 1.594 33.389 31.823 -0.046 0.000 0.999 576 V HN 0.965 nan 8.190 nan 0.000 0.426 577 Q N 4.134 123.956 119.800 0.037 0.000 2.334 577 Q HA 0.481 4.819 4.340 -0.003 0.000 0.249 577 Q C -1.769 174.244 176.000 0.022 0.000 0.909 577 Q CA -0.438 55.389 55.803 0.040 0.000 0.823 577 Q CB 1.945 30.728 28.738 0.075 0.000 1.353 577 Q HN 0.752 nan 8.270 nan 0.000 0.433 578 L N 3.416 124.642 121.223 0.006 0.000 2.468 578 L HA 0.568 4.906 4.340 -0.003 0.000 0.254 578 L C -1.767 175.111 176.870 0.013 0.000 1.171 578 L CA -1.905 52.934 54.840 -0.002 0.000 0.809 578 L CB -0.106 41.945 42.059 -0.013 0.000 1.155 578 L HN 0.490 nan 8.230 nan 0.000 0.473 579 P HA -0.027 nan 4.420 nan 0.000 0.269 579 P C -0.633 176.680 177.300 0.021 0.000 1.211 579 P CA -0.300 62.810 63.100 0.017 0.000 0.781 579 P CB 0.311 32.015 31.700 0.007 0.000 0.877 580 A N 1.377 124.216 122.820 0.031 0.000 2.567 580 A HA 0.352 4.670 4.320 -0.003 0.000 0.240 580 A C 1.503 179.103 177.584 0.027 0.000 1.053 580 A CA 0.827 52.888 52.037 0.038 0.000 0.755 580 A CB -1.563 17.470 19.000 0.055 0.000 0.978 580 A HN 0.961 nan 8.150 nan 0.000 0.507 581 G N 0.661 109.479 108.800 0.031 0.000 2.143 581 G HA2 0.172 4.130 3.960 -0.003 0.000 0.249 581 G HA3 0.172 4.130 3.960 -0.003 0.000 0.249 581 G C 0.517 175.428 174.900 0.018 0.000 0.981 581 G CA 0.426 45.542 45.100 0.028 0.000 0.665 581 G HN 2.225 nan 8.290 nan 0.000 0.528 582 A N 0.456 123.285 122.820 0.015 0.000 2.407 582 A HA 0.724 5.042 4.320 -0.003 0.000 0.248 582 A C 1.047 178.638 177.584 0.011 0.000 1.082 582 A CA 1.037 53.077 52.037 0.006 0.000 0.785 582 A CB 0.255 19.256 19.000 0.000 0.000 1.020 582 A HN 1.683 nan 8.150 nan 0.000 0.489 583 T N -0.208 114.349 114.554 0.004 0.000 2.874 583 T HA 0.260 4.608 4.350 -0.003 0.000 0.281 583 T C 1.014 175.716 174.700 0.004 0.000 0.994 583 T CA 0.039 62.144 62.100 0.007 0.000 1.015 583 T CB 1.048 69.915 68.868 -0.001 0.000 1.028 583 T HN 0.723 nan 8.240 nan 0.000 0.523 584 Q N 0.035 119.840 119.800 0.009 0.000 2.096 584 Q HA -0.205 4.133 4.340 -0.003 0.000 0.204 584 Q C 2.101 178.098 176.000 -0.006 0.000 0.982 584 Q CA 1.719 57.528 55.803 0.010 0.000 0.850 584 Q CB -0.123 28.629 28.738 0.024 0.000 0.901 584 Q HN 0.895 nan 8.270 nan 0.000 0.422 585 E N -0.138 120.053 120.200 -0.015 0.000 2.204 585 E HA -0.176 4.172 4.350 -0.003 0.000 0.194 585 E C 2.048 178.630 176.600 -0.030 0.000 0.989 585 E CA 0.417 56.801 56.400 -0.027 0.000 0.824 585 E CB 0.172 29.851 29.700 -0.035 0.000 0.756 585 E HN 0.276 nan 8.360 nan 0.000 0.477 586 R N -0.243 120.241 120.500 -0.026 0.000 2.057 586 R HA -0.091 4.247 4.340 -0.003 0.000 0.229 586 R C 2.682 178.959 176.300 -0.037 0.000 1.136 586 R CA 1.886 57.968 56.100 -0.030 0.000 0.952 586 R CB -0.499 29.786 30.300 -0.025 0.000 0.848 586 R HN 0.282 nan 8.270 nan 0.000 0.430 587 T N -1.139 113.396 114.554 -0.032 0.000 2.788 587 T HA -0.205 4.143 4.350 -0.003 0.000 0.268 587 T C 1.860 176.530 174.700 -0.051 0.000 1.044 587 T CA 1.302 63.378 62.100 -0.041 0.000 1.139 587 T CB -0.248 68.604 68.868 -0.026 0.000 0.867 587 T HN 0.079 nan 8.240 nan 0.000 0.454 588 Q N 1.728 121.503 119.800 -0.041 0.000 2.152 588 Q HA -0.093 4.245 4.340 -0.003 0.000 0.206 588 Q C 2.120 178.087 176.000 -0.055 0.000 0.985 588 Q CA 1.800 57.575 55.803 -0.046 0.000 0.863 588 Q CB -0.405 28.311 28.738 -0.037 0.000 0.904 588 Q HN 0.675 nan 8.270 nan 0.000 0.422 589 K N -1.116 119.251 120.400 -0.055 0.000 2.025 589 K HA -0.053 4.265 4.320 -0.003 0.000 0.207 589 K C 2.026 178.582 176.600 -0.074 0.000 1.049 589 K CA 1.357 57.609 56.287 -0.059 0.000 0.933 589 K CB -0.126 32.342 32.500 -0.053 0.000 0.714 589 K HN 0.047 nan 8.250 nan 0.000 0.438 590 V N 1.887 121.748 119.914 -0.089 0.000 2.287 590 V HA -0.259 3.859 4.120 -0.003 0.000 0.248 590 V C 2.224 178.218 176.094 -0.165 0.000 1.053 590 V CA 1.672 63.890 62.300 -0.135 0.000 1.027 590 V CB -0.458 31.281 31.823 -0.139 0.000 0.646 590 V HN 0.275 nan 8.190 nan 0.000 0.447 591 L N 0.239 121.388 121.223 -0.123 0.000 2.131 591 L HA -0.166 4.172 4.340 -0.003 0.000 0.210 591 L C 2.422 179.253 176.870 -0.066 0.000 1.092 591 L CA 1.274 56.050 54.840 -0.107 0.000 0.759 591 L CB -0.571 41.438 42.059 -0.084 0.000 0.903 591 L HN 0.395 nan 8.230 nan 0.000 0.435 592 N N -0.167 118.501 118.700 -0.054 0.000 2.244 592 N HA -0.161 4.577 4.740 -0.003 0.000 0.183 592 N C 1.690 177.216 175.510 0.026 0.000 1.016 592 N CA 1.031 54.072 53.050 -0.015 0.000 0.866 592 N CB 0.017 38.477 38.487 -0.044 0.000 0.980 592 N HN 0.438 nan 8.380 nan 0.000 0.430 593 E N 0.152 120.340 120.200 -0.020 0.000 2.072 593 E HA -0.074 4.274 4.350 -0.003 0.000 0.191 593 E C 1.981 178.621 176.600 0.067 0.000 0.985 593 E CA 0.746 57.158 56.400 0.020 0.000 0.801 593 E CB 0.097 29.768 29.700 -0.049 0.000 0.750 593 E HN 0.049 nan 8.360 nan 0.000 0.452 594 V N 1.208 121.064 119.914 -0.097 0.000 2.287 594 V HA -0.293 3.825 4.120 -0.003 0.000 0.248 594 V C 2.275 178.527 176.094 0.265 0.000 1.053 594 V CA 2.244 64.528 62.300 -0.028 0.000 1.027 594 V CB -0.935 30.797 31.823 -0.152 0.000 0.646 594 V HN 0.335 nan 8.190 nan 0.000 0.447 595 T N -0.953 113.724 114.554 0.205 0.000 2.614 595 T HA -0.223 4.125 4.350 -0.003 0.000 0.263 595 T C 1.532 176.368 174.700 0.227 0.000 1.055 595 T CA 1.860 64.097 62.100 0.228 0.000 1.162 595 T CB -0.429 68.521 68.868 0.136 0.000 0.863 595 T HN 0.515 nan 8.240 nan 0.000 0.414 596 H N 0.010 119.146 119.070 0.110 0.000 2.832 596 H HA 0.193 4.747 4.556 -0.004 0.000 0.297 596 H C 0.805 176.219 175.328 0.144 0.000 1.103 596 H CA -0.023 56.080 56.048 0.092 0.000 1.201 596 H CB -0.357 29.435 29.762 0.049 0.000 1.291 596 H HN 0.532 nan 8.280 nan 0.000 0.614 597 Y N -2.002 118.354 120.300 0.094 0.000 2.673 597 Y HA -0.006 4.542 4.550 -0.004 0.000 0.278 597 Y C 1.117 177.008 175.900 -0.016 0.000 1.127 597 Y CA 0.161 58.274 58.100 0.022 0.000 1.261 597 Y CB -0.229 38.252 38.460 0.035 0.000 1.412 597 Y HN 0.029 nan 8.280 nan 0.000 0.496 598 Y N 1.276 121.582 120.300 0.010 0.000 2.181 598 Y HA -0.189 4.360 4.550 -0.002 0.000 0.288 598 Y C 2.222 178.017 175.900 -0.176 0.000 1.146 598 Y CA 2.006 60.035 58.100 -0.117 0.000 1.164 598 Y CB -0.604 37.904 38.460 0.081 0.000 0.982 598 Y HN 0.158 nan 8.280 nan 0.000 0.515 599 L N -1.363 119.860 121.223 0.001 0.000 2.376 599 L HA -0.140 4.198 4.340 -0.003 0.000 0.219 599 L C 1.765 178.552 176.870 -0.139 0.000 1.133 599 L CA 1.279 56.049 54.840 -0.116 0.000 0.816 599 L CB -0.586 41.321 42.059 -0.253 0.000 0.933 599 L HN 0.244 nan 8.230 nan 0.000 0.449 600 T N -1.632 112.835 114.554 -0.146 0.000 3.234 600 T HA 0.001 4.349 4.350 -0.003 0.000 0.235 600 T C 1.668 176.269 174.700 -0.166 0.000 0.971 600 T CA 0.180 62.205 62.100 -0.124 0.000 1.292 600 T CB 0.124 68.952 68.868 -0.066 0.000 0.994 600 T HN 0.066 nan 8.240 nan 0.000 0.412 601 K N 0.879 121.097 120.400 -0.303 0.000 2.525 601 K HA 0.113 4.431 4.320 -0.003 0.000 0.192 601 K C 0.531 176.949 176.600 -0.303 0.000 1.029 601 K CA 0.702 56.782 56.287 -0.346 0.000 1.029 601 K CB 0.210 32.397 32.500 -0.523 0.000 0.814 601 K HN 0.160 nan 8.250 nan 0.000 0.503 602 E N -0.175 119.884 120.200 -0.236 0.000 3.843 602 E HA 0.098 4.446 4.350 -0.003 0.000 0.189 602 E C -0.002 176.571 176.600 -0.046 0.000 1.013 602 E CA -0.016 56.325 56.400 -0.099 0.000 1.395 602 E CB 0.369 30.064 29.700 -0.007 0.000 1.136 602 E HN -0.030 nan 8.360 nan 0.000 0.444 603 K N -0.137 120.224 120.400 -0.065 0.000 2.020 603 K HA -0.183 4.135 4.320 -0.003 0.000 0.212 603 K C 1.345 177.925 176.600 -0.033 0.000 1.050 603 K CA 1.647 57.904 56.287 -0.050 0.000 0.929 603 K CB -0.057 32.413 32.500 -0.050 0.000 0.714 603 K HN 0.106 nan 8.250 nan 0.000 0.443 604 N N 0.604 119.288 118.700 -0.026 0.000 2.137 604 N HA -0.152 4.586 4.740 -0.003 0.000 0.190 604 N C 1.097 176.600 175.510 -0.011 0.000 1.017 604 N CA 1.615 54.657 53.050 -0.015 0.000 0.859 604 N CB -0.153 38.329 38.487 -0.008 0.000 1.002 604 N HN 0.331 nan 8.380 nan 0.000 0.428 605 N N -1.256 117.443 118.700 -0.001 0.000 2.420 605 N HA 0.098 4.836 4.740 -0.003 0.000 0.185 605 N C -0.384 175.123 175.510 -0.005 0.000 1.033 605 N CA -0.009 53.048 53.050 0.012 0.000 0.879 605 N CB 0.498 39.018 38.487 0.055 0.000 1.071 605 N HN -0.140 nan 8.380 nan 0.000 0.437 606 V N 1.871 121.786 119.914 0.001 0.000 2.555 606 V HA 0.023 4.141 4.120 -0.003 0.000 0.286 606 V C 1.084 177.134 176.094 -0.073 0.000 1.044 606 V CA 0.381 62.653 62.300 -0.047 0.000 1.026 606 V CB 1.450 33.255 31.823 -0.029 0.000 0.981 606 V HN 0.250 nan 8.190 nan 0.000 0.480 607 E N 3.599 123.741 120.200 -0.097 0.000 2.132 607 E HA 0.072 4.420 4.350 -0.003 0.000 0.193 607 E C 0.620 177.162 176.600 -0.096 0.000 0.951 607 E CA 0.899 57.254 56.400 -0.076 0.000 0.843 607 E CB 0.457 30.120 29.700 -0.061 0.000 0.807 607 E HN 0.835 nan 8.360 nan 0.000 0.467 608 S N -1.373 114.248 115.700 -0.131 0.000 2.550 608 S HA 0.650 5.118 4.470 -0.003 0.000 0.270 608 S C -1.239 173.233 174.600 -0.213 0.000 1.145 608 S CA -0.949 57.117 58.200 -0.222 0.000 0.852 608 S CB 1.997 65.094 63.200 -0.171 0.000 1.119 608 S HN -0.040 nan 8.310 nan 0.000 0.465 609 V N 2.321 122.080 119.914 -0.259 0.000 2.447 609 V HA 0.478 4.596 4.120 -0.003 0.000 0.292 609 V C -1.505 174.559 176.094 -0.050 0.000 1.021 609 V CA -0.437 61.779 62.300 -0.140 0.000 0.850 609 V CB 1.122 32.888 31.823 -0.094 0.000 1.005 609 V HN 0.893 nan 8.190 nan 0.000 0.426 610 F N 5.173 125.099 119.950 -0.040 0.000 2.334 610 F HA 0.722 5.247 4.527 -0.003 0.000 0.365 610 F C 0.611 176.401 175.800 -0.017 0.000 1.124 610 F CA -0.530 57.501 58.000 0.052 0.000 1.166 610 F CB 0.629 39.738 39.000 0.181 0.000 1.355 610 F HN 0.541 nan 8.300 nan 0.000 0.532 611 A N 5.738 128.368 122.820 -0.316 0.000 2.260 611 A HA 0.686 5.004 4.320 -0.003 0.000 0.308 611 A C -1.155 176.212 177.584 -0.361 0.000 1.254 611 A CA -0.552 51.331 52.037 -0.256 0.000 0.874 611 A CB 0.572 19.480 19.000 -0.152 0.000 1.153 611 A HN 0.470 nan 8.150 nan 0.000 0.527 612 V N 3.627 123.380 119.914 -0.268 0.000 2.384 612 V HA 0.328 4.446 4.120 -0.003 0.000 0.287 612 V C 0.184 176.245 176.094 -0.054 0.000 1.020 612 V CA -0.761 61.418 62.300 -0.202 0.000 0.850 612 V CB 1.426 33.116 31.823 -0.221 0.000 0.987 612 V HN 0.951 nan 8.190 nan 0.000 0.436 613 N N 3.129 121.817 118.700 -0.020 0.000 2.444 613 N HA 0.521 5.259 4.740 -0.003 0.000 0.262 613 N C 0.871 176.427 175.510 0.077 0.000 0.974 613 N CA 0.651 53.711 53.050 0.016 0.000 0.933 613 N CB 1.317 39.798 38.487 -0.010 0.000 1.137 613 N HN 1.012 nan 8.380 nan 0.000 0.498 614 G N 3.071 111.925 108.800 0.090 0.000 2.278 614 G HA2 -0.239 3.718 3.960 -0.003 0.000 0.210 614 G HA3 -0.239 3.718 3.960 -0.003 0.000 0.210 614 G C -0.258 174.739 174.900 0.162 0.000 1.000 614 G CA -0.397 44.771 45.100 0.113 0.000 0.635 614 G HN 0.554 nan 8.290 nan 0.000 0.495 615 F N 2.053 122.032 119.950 0.048 0.000 2.399 615 F HA 0.693 5.218 4.527 -0.004 0.000 0.328 615 F C 0.693 176.478 175.800 -0.025 0.000 1.084 615 F CA 0.809 58.841 58.000 0.053 0.000 1.053 615 F CB 1.795 40.902 39.000 0.177 0.000 1.209 615 F HN 0.473 nan 8.300 nan 0.000 0.502 616 G N 2.963 111.286 108.800 -0.795 0.000 2.619 616 G HA2 0.326 4.284 3.960 -0.003 0.000 0.305 616 G HA3 0.326 4.284 3.960 -0.003 0.000 0.305 616 G C -1.378 173.041 174.900 -0.800 0.000 1.330 616 G CA -0.587 44.190 45.100 -0.538 0.000 0.789 616 G HN 0.486 nan 8.290 nan 0.000 0.487 617 F N 0.238 120.115 119.950 -0.121 0.000 2.728 617 F HA 0.388 4.913 4.527 -0.004 0.000 0.314 617 F C 2.251 178.021 175.800 -0.051 0.000 1.094 617 F CA 0.471 58.429 58.000 -0.070 0.000 1.217 617 F CB 0.979 40.009 39.000 0.050 0.000 1.056 617 F HN 0.490 nan 8.300 nan 0.000 0.577 618 A N -0.179 122.698 122.820 0.095 0.000 2.178 618 A HA 0.582 4.900 4.320 -0.003 0.000 0.211 618 A C 1.284 178.883 177.584 0.024 0.000 1.157 618 A CA 0.934 53.007 52.037 0.060 0.000 0.780 618 A CB -0.585 18.450 19.000 0.058 0.000 0.828 618 A HN 0.417 nan 8.150 nan 0.000 0.476 619 G N -1.395 107.386 108.800 -0.031 0.000 2.359 619 G HA2 0.228 4.186 3.960 -0.003 0.000 0.303 619 G HA3 0.228 4.186 3.960 -0.003 0.000 0.303 619 G C -0.794 174.046 174.900 -0.099 0.000 1.293 619 G CA -0.888 44.185 45.100 -0.046 0.000 0.964 619 G HN 0.335 nan 8.290 nan 0.000 0.531 620 R N -0.636 119.831 120.500 -0.055 0.000 2.606 620 R HA 0.757 5.095 4.340 -0.003 0.000 0.249 620 R C 0.507 176.811 176.300 0.007 0.000 1.127 620 R CA 0.447 56.527 56.100 -0.034 0.000 1.133 620 R CB 1.270 31.574 30.300 0.006 0.000 1.243 620 R HN 2.268 nan 8.270 nan 0.000 0.558 621 G N -0.101 108.718 108.800 0.031 0.000 2.406 621 G HA2 -0.149 3.809 3.960 -0.003 0.000 0.680 621 G HA3 -0.149 3.809 3.960 -0.003 0.000 0.680 621 G C -0.063 174.864 174.900 0.044 0.000 1.338 621 G CA -0.699 44.425 45.100 0.042 0.000 0.941 621 G HN 0.579 nan 8.290 nan 0.000 0.633 622 Q N -0.119 119.709 119.800 0.047 0.000 2.170 622 Q HA -0.143 4.195 4.340 -0.003 0.000 0.203 622 Q C 2.178 178.195 176.000 0.028 0.000 0.976 622 Q CA 1.944 57.772 55.803 0.042 0.000 0.858 622 Q CB -0.099 28.663 28.738 0.040 0.000 0.907 622 Q HN 0.679 nan 8.270 nan 0.000 0.433 623 N N -0.123 118.593 118.700 0.026 0.000 2.449 623 N HA -0.056 4.682 4.740 -0.003 0.000 0.191 623 N C -0.213 175.306 175.510 0.016 0.000 1.161 623 N CA 0.545 53.606 53.050 0.018 0.000 0.863 623 N CB 0.106 38.607 38.487 0.023 0.000 0.980 623 N HN 0.053 nan 8.380 nan 0.000 0.458 624 T N -4.012 110.552 114.554 0.016 0.000 2.887 624 T HA 0.819 5.167 4.350 -0.003 0.000 0.288 624 T C -0.017 174.690 174.700 0.012 0.000 1.021 624 T CA -0.744 61.363 62.100 0.012 0.000 1.000 624 T CB 2.061 70.928 68.868 -0.003 0.000 1.034 624 T HN 0.163 nan 8.240 nan 0.000 0.467 625 G N 0.850 109.654 108.800 0.007 0.000 2.660 625 G HA2 0.708 4.666 3.960 -0.003 0.000 0.294 625 G HA3 0.708 4.666 3.960 -0.003 0.000 0.294 625 G C -1.950 172.948 174.900 -0.004 0.000 1.369 625 G CA -0.826 44.276 45.100 0.002 0.000 0.912 625 G HN 0.877 nan 8.290 nan 0.000 0.479 626 I N -0.096 120.452 120.570 -0.038 0.000 2.828 626 I HA 0.801 4.969 4.170 -0.003 0.000 0.302 626 I C -0.473 175.492 176.117 -0.254 0.000 1.101 626 I CA -0.808 60.415 61.300 -0.128 0.000 1.031 626 I CB 2.423 40.332 38.000 -0.151 0.000 1.231 626 I HN 0.840 nan 8.210 nan 0.000 0.427 627 A N 6.032 128.665 122.820 -0.312 0.000 2.499 627 A HA 0.626 4.944 4.320 -0.003 0.000 0.280 627 A C -1.469 175.937 177.584 -0.296 0.000 1.135 627 A CA -0.334 51.553 52.037 -0.250 0.000 0.744 627 A CB 0.027 18.988 19.000 -0.066 0.000 1.213 627 A HN 0.410 nan 8.150 nan 0.000 0.434 628 F N 1.629 121.570 119.950 -0.015 0.000 2.456 628 F HA 0.415 4.941 4.527 -0.003 0.000 0.358 628 F C 0.499 176.228 175.800 -0.118 0.000 1.095 628 F CA -0.047 57.930 58.000 -0.037 0.000 1.216 628 F CB 1.244 40.221 39.000 -0.037 0.000 1.125 628 F HN 0.247 nan 8.300 nan 0.000 0.549 629 V N 2.782 122.581 119.914 -0.193 0.000 2.384 629 V HA 0.382 4.500 4.120 -0.003 0.000 0.287 629 V C -0.136 175.712 176.094 -0.412 0.000 1.020 629 V CA -0.720 61.235 62.300 -0.575 0.000 0.850 629 V CB 1.503 32.441 31.823 -1.474 0.000 0.987 629 V HN 0.794 nan 8.190 nan 0.000 0.436 630 S N 5.636 121.199 115.700 -0.230 0.000 2.525 630 S HA 0.802 5.270 4.470 -0.003 0.000 0.290 630 S C -0.675 173.812 174.600 -0.189 0.000 1.152 630 S CA -0.518 57.581 58.200 -0.168 0.000 1.072 630 S CB 0.716 63.888 63.200 -0.047 0.000 1.027 630 S HN 0.544 nan 8.310 nan 0.000 0.500 631 L N 3.585 124.698 121.223 -0.182 0.000 2.313 631 L HA 0.577 4.915 4.340 -0.003 0.000 0.268 631 L C 0.332 177.094 176.870 -0.181 0.000 1.010 631 L CA -1.338 53.409 54.840 -0.155 0.000 0.814 631 L CB 1.014 42.999 42.059 -0.123 0.000 1.304 631 L HN 0.533 nan 8.230 nan 0.000 0.441 632 K N 1.501 121.816 120.400 -0.143 0.000 2.440 632 K HA 0.034 4.352 4.320 -0.003 0.000 0.270 632 K C -0.417 176.023 176.600 -0.266 0.000 0.980 632 K CA -0.184 56.015 56.287 -0.147 0.000 0.953 632 K CB 0.351 32.799 32.500 -0.088 0.000 0.925 632 K HN 0.659 nan 8.250 nan 0.000 0.497 633 D N 0.550 120.780 120.400 -0.283 0.000 2.372 633 D HA -0.066 4.572 4.640 -0.003 0.000 0.243 633 D C 0.766 176.855 176.300 -0.353 0.000 1.297 633 D CA -0.184 53.500 54.000 -0.526 0.000 0.958 633 D CB 0.247 40.870 40.800 -0.296 0.000 1.114 633 D HN 0.524 nan 8.370 nan 0.000 0.496 634 W N -0.450 120.882 121.300 0.054 0.000 2.467 634 W HA 0.190 4.848 4.660 -0.003 0.000 0.275 634 W C 2.573 179.121 176.519 0.049 0.000 1.239 634 W CA 0.651 58.033 57.345 0.062 0.000 1.266 634 W CB -1.070 28.438 29.460 0.081 0.000 1.112 634 W HN 0.522 nan 8.180 nan 0.000 0.576 635 A N 1.280 124.261 122.820 0.268 0.000 1.933 635 A HA -0.209 4.109 4.320 -0.003 0.000 0.218 635 A C 1.370 179.012 177.584 0.097 0.000 1.175 635 A CA 2.136 54.269 52.037 0.160 0.000 0.628 635 A CB -0.841 18.236 19.000 0.129 0.000 0.814 635 A HN 0.222 nan 8.150 nan 0.000 0.444 636 D N -0.943 119.493 120.400 0.061 0.000 2.355 636 D HA 0.065 4.703 4.640 -0.003 0.000 0.218 636 D C 0.613 176.932 176.300 0.032 0.000 1.004 636 D CA 0.447 54.465 54.000 0.030 0.000 0.880 636 D CB 0.070 40.869 40.800 -0.002 0.000 0.911 636 D HN 0.351 nan 8.370 nan 0.000 0.528 637 R N 0.664 121.199 120.500 0.058 0.000 2.724 637 R HA 0.215 4.553 4.340 -0.003 0.000 0.284 637 R C -1.966 174.391 176.300 0.096 0.000 1.481 637 R CA -1.039 55.100 56.100 0.065 0.000 1.652 637 R CB 1.149 31.483 30.300 0.056 0.000 1.175 637 R HN 0.026 nan 8.270 nan 0.000 0.613 638 P HA 0.001 nan 4.420 nan 0.000 0.236 638 P C 0.759 178.100 177.300 0.068 0.000 1.177 638 P CA 0.308 63.455 63.100 0.078 0.000 0.773 638 P CB 0.418 32.155 31.700 0.061 0.000 0.878 639 G N 0.540 109.375 108.800 0.059 0.000 2.491 639 G HA2 -0.030 3.928 3.960 -0.003 0.000 0.242 639 G HA3 -0.030 3.928 3.960 -0.003 0.000 0.242 639 G C 0.744 175.678 174.900 0.057 0.000 1.266 639 G CA -0.219 44.911 45.100 0.049 0.000 0.844 639 G HN -0.023 nan 8.290 nan 0.000 0.571 640 E N 0.503 120.732 120.200 0.048 0.000 2.216 640 E HA -0.116 4.232 4.350 -0.003 0.000 0.192 640 E C 2.180 178.806 176.600 0.042 0.000 0.988 640 E CA 0.757 57.186 56.400 0.048 0.000 0.834 640 E CB 0.174 29.898 29.700 0.039 0.000 0.772 640 E HN 0.799 nan 8.360 nan 0.000 0.479 641 E N -0.034 120.187 120.200 0.034 0.000 2.502 641 E HA -0.083 4.265 4.350 -0.003 0.000 0.194 641 E C 0.514 177.133 176.600 0.031 0.000 1.062 641 E CA 0.354 56.770 56.400 0.027 0.000 0.867 641 E CB -0.169 29.543 29.700 0.019 0.000 0.888 641 E HN 0.066 nan 8.360 nan 0.000 0.510 642 N N 1.133 119.859 118.700 0.043 0.000 2.299 642 N HA 0.021 4.759 4.740 -0.003 0.000 0.187 642 N C 0.185 175.735 175.510 0.066 0.000 1.099 642 N CA 0.088 53.169 53.050 0.051 0.000 0.867 642 N CB 0.225 38.744 38.487 0.053 0.000 0.974 642 N HN 0.113 nan 8.380 nan 0.000 0.477 643 K N 0.342 120.784 120.400 0.070 0.000 2.414 643 K HA 0.078 4.396 4.320 -0.003 0.000 0.272 643 K C 1.164 177.789 176.600 0.042 0.000 0.993 643 K CA -0.047 56.289 56.287 0.082 0.000 0.964 643 K CB 0.630 33.177 32.500 0.078 0.000 0.925 643 K HN -0.253 nan 8.250 nan 0.000 0.487 644 V N 3.107 123.046 119.914 0.042 0.000 2.252 644 V HA -0.257 3.861 4.120 -0.003 0.000 0.249 644 V C 2.247 178.283 176.094 -0.097 0.000 1.056 644 V CA 2.187 64.456 62.300 -0.051 0.000 1.022 644 V CB -0.721 31.100 31.823 -0.003 0.000 0.641 644 V HN 0.972 nan 8.190 nan 0.000 0.445 645 E N -0.054 120.133 120.200 -0.021 0.000 2.136 645 E HA -0.313 4.035 4.350 -0.003 0.000 0.202 645 E C 2.161 178.750 176.600 -0.019 0.000 1.019 645 E CA 2.100 58.496 56.400 -0.007 0.000 0.819 645 E CB -0.175 29.543 29.700 0.030 0.000 0.739 645 E HN 0.593 nan 8.360 nan 0.000 0.458 646 A N 0.134 122.945 122.820 -0.014 0.000 1.984 646 A HA 0.022 4.340 4.320 -0.003 0.000 0.214 646 A C 2.274 179.845 177.584 -0.023 0.000 1.173 646 A CA 0.414 52.447 52.037 -0.008 0.000 0.673 646 A CB -0.294 18.712 19.000 0.009 0.000 0.830 646 A HN 0.202 nan 8.150 nan 0.000 0.453 647 I N 0.669 121.210 120.570 -0.049 0.000 2.142 647 I HA -0.260 3.908 4.170 -0.003 0.000 0.240 647 I C 2.899 178.971 176.117 -0.074 0.000 1.078 647 I CA 1.988 63.261 61.300 -0.045 0.000 1.343 647 I CB -0.709 37.260 38.000 -0.052 0.000 1.046 647 I HN 0.512 nan 8.210 nan 0.000 0.405 648 T N -1.039 113.380 114.554 -0.226 0.000 2.788 648 T HA -0.227 4.121 4.350 -0.003 0.000 0.268 648 T C 1.912 176.600 174.700 -0.020 0.000 1.044 648 T CA 0.919 62.910 62.100 -0.182 0.000 1.139 648 T CB -0.340 68.363 68.868 -0.274 0.000 0.867 648 T HN 0.184 nan 8.240 nan 0.000 0.454 649 M N 2.048 121.639 119.600 -0.015 0.000 2.213 649 M HA -0.023 4.455 4.480 -0.003 0.000 0.263 649 M C 2.479 178.783 176.300 0.006 0.000 1.062 649 M CA 1.641 56.952 55.300 0.018 0.000 1.105 649 M CB -0.437 32.173 32.600 0.017 0.000 1.385 649 M HN 0.523 nan 8.290 nan 0.000 0.417 650 R N -0.814 119.682 120.500 -0.006 0.000 2.280 650 R HA 0.209 4.547 4.340 -0.003 0.000 0.195 650 R C 1.783 178.041 176.300 -0.069 0.000 0.935 650 R CA 0.872 56.958 56.100 -0.023 0.000 1.033 650 R CB -0.428 29.869 30.300 -0.004 0.000 0.964 650 R HN 0.198 nan 8.270 nan 0.000 0.489 651 A N 1.027 123.822 122.820 -0.042 0.000 1.929 651 A HA -0.024 4.294 4.320 -0.003 0.000 0.216 651 A C 1.895 179.328 177.584 -0.251 0.000 1.176 651 A CA 1.529 53.471 52.037 -0.158 0.000 0.628 651 A CB -0.608 18.459 19.000 0.113 0.000 0.816 651 A HN 0.378 nan 8.150 nan 0.000 0.444 652 T N -0.964 113.566 114.554 -0.040 0.000 3.055 652 T HA -0.003 4.345 4.350 -0.003 0.000 0.265 652 T C 1.910 176.566 174.700 -0.074 0.000 1.111 652 T CA 0.930 63.034 62.100 0.006 0.000 1.118 652 T CB -0.077 68.875 68.868 0.141 0.000 0.909 652 T HN 0.456 nan 8.240 nan 0.000 0.501 653 R N 0.902 121.338 120.500 -0.108 0.000 2.057 653 R HA 0.062 4.400 4.340 -0.003 0.000 0.229 653 R C 2.764 178.947 176.300 -0.195 0.000 1.136 653 R CA 1.255 57.289 56.100 -0.110 0.000 0.952 653 R CB -0.416 29.835 30.300 -0.081 0.000 0.848 653 R HN 0.362 nan 8.270 nan 0.000 0.430 654 A N 0.852 123.452 122.820 -0.367 0.000 1.865 654 A HA -0.130 4.188 4.320 -0.003 0.000 0.217 654 A C 0.474 177.776 177.584 -0.470 0.000 1.191 654 A CA 1.135 52.849 52.037 -0.539 0.000 0.623 654 A CB -0.494 17.903 19.000 -1.005 0.000 0.826 654 A HN 0.232 nan 8.150 nan 0.000 0.444 655 F N 0.474 120.266 119.950 -0.264 0.000 2.423 655 F HA 0.447 4.971 4.527 -0.004 0.000 0.356 655 F C 1.196 176.865 175.800 -0.218 0.000 1.170 655 F CA 0.039 57.894 58.000 -0.242 0.000 1.163 655 F CB 0.268 39.106 39.000 -0.269 0.000 1.318 655 F HN 0.277 nan 8.300 nan 0.000 0.569 656 S N -0.095 115.590 115.700 -0.026 0.000 5.433 656 S HA -0.016 4.452 4.470 -0.003 0.000 0.146 656 S C 1.269 175.840 174.600 -0.048 0.000 1.105 656 S CA -0.258 57.899 58.200 -0.072 0.000 1.385 656 S CB 0.213 63.370 63.200 -0.071 0.000 1.966 656 S HN 0.355 nan 8.310 nan 0.000 0.575 657 Q N 2.114 121.892 119.800 -0.036 0.000 1.822 657 Q HA 0.183 4.521 4.340 -0.003 0.000 0.251 657 Q C 0.664 176.652 176.000 -0.021 0.000 0.969 657 Q CA 1.460 57.247 55.803 -0.026 0.000 0.875 657 Q CB -0.841 27.883 28.738 -0.023 0.000 0.917 657 Q HN 0.801 nan 8.270 nan 0.000 0.428 658 I N 0.782 121.342 120.570 -0.017 0.000 2.886 658 I HA 0.142 4.310 4.170 -0.003 0.000 0.293 658 I C -0.113 176.001 176.117 -0.006 0.000 1.157 658 I CA 0.324 61.617 61.300 -0.011 0.000 1.472 658 I CB -0.498 37.497 38.000 -0.008 0.000 1.492 658 I HN 0.005 nan 8.210 nan 0.000 0.652 659 K N 3.959 124.350 120.400 -0.015 0.000 2.711 659 K HA 0.419 4.736 4.320 -0.003 0.000 0.294 659 K C -1.170 175.411 176.600 -0.030 0.000 1.037 659 K CA -0.289 55.982 56.287 -0.025 0.000 0.858 659 K CB 1.230 33.710 32.500 -0.033 0.000 1.521 659 K HN 0.501 nan 8.250 nan 0.000 0.386 660 D N -0.810 119.567 120.400 -0.039 0.000 2.562 660 D HA 0.417 5.055 4.640 -0.003 0.000 0.246 660 D C -0.207 176.070 176.300 -0.038 0.000 1.347 660 D CA -0.126 53.854 54.000 -0.033 0.000 0.800 660 D CB 0.634 41.416 40.800 -0.031 0.000 1.111 660 D HN 0.474 nan 8.370 nan 0.000 0.508 661 A N -0.069 122.720 122.820 -0.053 0.000 2.504 661 A HA 0.859 5.177 4.320 -0.003 0.000 0.285 661 A C -1.441 176.099 177.584 -0.074 0.000 1.261 661 A CA -0.899 51.103 52.037 -0.058 0.000 0.741 661 A CB 1.423 20.374 19.000 -0.081 0.000 1.327 661 A HN 0.051 nan 8.150 nan 0.000 0.441 662 M N 1.116 120.676 119.600 -0.067 0.000 2.053 662 M HA 0.474 4.952 4.480 -0.003 0.000 0.297 662 M C -1.506 174.720 176.300 -0.124 0.000 0.921 662 M CA -0.127 55.115 55.300 -0.097 0.000 0.918 662 M CB 1.861 34.479 32.600 0.029 0.000 1.499 662 M HN 0.313 nan 8.290 nan 0.000 0.422 663 V N 3.914 123.648 119.914 -0.300 0.000 2.483 663 V HA 0.609 4.727 4.120 -0.003 0.000 0.297 663 V C -1.028 174.874 176.094 -0.320 0.000 1.027 663 V CA -0.631 61.552 62.300 -0.195 0.000 0.855 663 V CB 1.575 33.260 31.823 -0.231 0.000 0.995 663 V HN 0.583 nan 8.190 nan 0.000 0.424 664 F N 2.325 122.390 119.950 0.192 0.000 2.532 664 F HA 0.850 5.375 4.527 -0.002 0.000 0.321 664 F C 0.394 176.412 175.800 0.362 0.000 1.089 664 F CA -0.665 57.489 58.000 0.256 0.000 0.926 664 F CB 2.134 41.272 39.000 0.229 0.000 1.168 664 F HN 0.561 nan 8.300 nan 0.000 0.459 665 A N 3.149 126.273 122.820 0.507 0.000 2.337 665 A HA 0.920 5.238 4.320 -0.003 0.000 0.329 665 A C -1.440 176.373 177.584 0.382 0.000 1.146 665 A CA -0.500 51.767 52.037 0.383 0.000 0.800 665 A CB 0.659 19.858 19.000 0.332 0.000 1.220 665 A HN 0.739 nan 8.150 nan 0.000 0.472 666 F N 0.085 120.180 119.950 0.242 0.000 2.654 666 F HA 0.519 5.044 4.527 -0.004 0.000 0.308 666 F C -0.793 175.120 175.800 0.189 0.000 1.108 666 F CA -1.052 57.044 58.000 0.160 0.000 0.957 666 F CB 1.121 40.204 39.000 0.139 0.000 1.309 666 F HN 0.572 nan 8.300 nan 0.000 0.446 667 N N 1.969 120.845 118.700 0.292 0.000 2.513 667 N HA 0.534 5.272 4.740 -0.003 0.000 0.274 667 N C -0.624 175.112 175.510 0.377 0.000 1.189 667 N CA -0.680 52.522 53.050 0.253 0.000 0.975 667 N CB 1.069 39.646 38.487 0.149 0.000 1.157 667 N HN 0.771 nan 8.380 nan 0.000 0.465 668 L N 0.692 122.108 121.223 0.322 0.000 2.453 668 L HA 0.551 4.889 4.340 -0.003 0.000 0.261 668 L C -2.088 174.926 176.870 0.240 0.000 1.179 668 L CA -1.681 53.356 54.840 0.327 0.000 0.813 668 L CB -0.132 42.120 42.059 0.321 0.000 1.110 668 L HN 0.422 nan 8.230 nan 0.000 0.466 669 P HA 0.088 nan 4.420 nan 0.000 0.274 669 P C -0.060 177.374 177.300 0.223 0.000 1.260 669 P CA -0.265 62.945 63.100 0.183 0.000 0.793 669 P CB 0.987 32.770 31.700 0.138 0.000 1.048 670 A N 1.012 123.981 122.820 0.249 0.000 1.878 670 A HA 0.054 4.372 4.320 -0.003 0.000 0.213 670 A C 1.447 179.217 177.584 0.309 0.000 1.192 670 A CA 0.840 53.076 52.037 0.330 0.000 0.619 670 A CB -0.993 18.212 19.000 0.341 0.000 0.837 670 A HN 0.524 nan 8.150 nan 0.000 0.446 671 I N 1.738 122.434 120.570 0.210 0.000 2.243 671 I HA 0.077 4.245 4.170 -0.003 0.000 0.297 671 I C 0.929 177.136 176.117 0.150 0.000 1.161 671 I CA -0.462 60.926 61.300 0.148 0.000 1.298 671 I CB 0.871 38.934 38.000 0.104 0.000 1.475 671 I HN 0.037 nan 8.210 nan 0.000 0.561 672 V N 4.008 124.034 119.914 0.188 0.000 2.469 672 V HA -0.232 3.886 4.120 -0.003 0.000 0.251 672 V C 2.198 178.358 176.094 0.110 0.000 1.064 672 V CA 1.732 64.133 62.300 0.168 0.000 1.066 672 V CB -0.797 31.152 31.823 0.210 0.000 0.667 672 V HN 0.861 nan 8.190 nan 0.000 0.461 673 E N -0.251 120.011 120.200 0.104 0.000 2.403 673 E HA 0.070 4.418 4.350 -0.003 0.000 0.187 673 E C 1.367 178.000 176.600 0.056 0.000 1.073 673 E CA 0.320 56.763 56.400 0.070 0.000 0.888 673 E CB 0.170 29.917 29.700 0.078 0.000 1.035 673 E HN 0.563 nan 8.360 nan 0.000 0.471 674 L N -0.233 121.026 121.223 0.060 0.000 2.919 674 L HA 0.306 4.644 4.340 -0.003 0.000 0.169 674 L C 1.427 178.322 176.870 0.041 0.000 1.228 674 L CA 0.461 55.337 54.840 0.060 0.000 0.862 674 L CB -0.458 41.642 42.059 0.068 0.000 1.313 674 L HN 0.143 nan 8.230 nan 0.000 0.526 675 G N -1.367 107.455 108.800 0.036 0.000 2.588 675 G HA2 0.283 4.240 3.960 -0.003 0.000 0.281 675 G HA3 0.283 4.240 3.960 -0.003 0.000 0.281 675 G C 0.309 175.191 174.900 -0.029 0.000 1.236 675 G CA 0.282 45.385 45.100 0.005 0.000 0.969 675 G HN 0.092 nan 8.290 nan 0.000 0.504 676 T N -1.745 112.762 114.554 -0.079 0.000 2.975 676 T HA 0.579 4.926 4.350 -0.003 0.000 0.261 676 T C 0.486 175.186 174.700 -0.000 0.000 0.984 676 T CA 0.973 62.997 62.100 -0.127 0.000 0.911 676 T CB -0.149 68.516 68.868 -0.338 0.000 1.127 676 T HN 0.997 nan 8.240 nan 0.000 0.514 677 A N 0.136 122.917 122.820 -0.064 0.000 2.569 677 A HA 0.712 5.030 4.320 -0.003 0.000 0.290 677 A C -0.188 177.400 177.584 0.008 0.000 1.136 677 A CA -0.597 51.392 52.037 -0.080 0.000 0.710 677 A CB 0.914 19.562 19.000 -0.587 0.000 1.303 677 A HN 0.171 nan 8.150 nan 0.000 0.413 678 T N 0.914 115.514 114.554 0.076 0.000 2.900 678 T HA 0.500 4.848 4.350 -0.003 0.000 0.307 678 T C 1.050 175.732 174.700 -0.031 0.000 1.065 678 T CA 1.439 63.580 62.100 0.068 0.000 1.105 678 T CB 0.389 69.325 68.868 0.113 0.000 0.979 678 T HN 2.391 nan 8.240 nan 0.000 0.544 679 G N 1.772 110.579 108.800 0.012 0.000 2.562 679 G HA2 -0.163 3.795 3.960 -0.003 0.000 0.250 679 G HA3 -0.163 3.795 3.960 -0.003 0.000 0.250 679 G C -0.274 174.623 174.900 -0.005 0.000 1.269 679 G CA -0.067 45.033 45.100 0.000 0.000 0.919 679 G HN 1.047 nan 8.290 nan 0.000 0.574 680 F N 1.049 121.004 119.950 0.008 0.000 2.389 680 F HA 0.627 5.152 4.527 -0.004 0.000 0.337 680 F C 0.249 176.125 175.800 0.127 0.000 1.112 680 F CA -0.709 57.327 58.000 0.060 0.000 1.192 680 F CB 1.071 40.138 39.000 0.111 0.000 1.185 680 F HN 0.727 nan 8.300 nan 0.000 0.552 681 D N 3.227 123.839 120.400 0.354 0.000 2.471 681 D HA 0.346 4.984 4.640 -0.003 0.000 0.245 681 D C -1.453 175.134 176.300 0.479 0.000 1.116 681 D CA -0.397 53.770 54.000 0.279 0.000 0.853 681 D CB 1.157 41.994 40.800 0.062 0.000 1.123 681 D HN 0.610 nan 8.370 nan 0.000 0.540 682 F N 1.657 121.782 119.950 0.292 0.000 2.443 682 F HA 0.579 5.104 4.527 -0.003 0.000 0.335 682 F C -0.391 175.277 175.800 -0.221 0.000 1.104 682 F CA -0.846 57.128 58.000 -0.043 0.000 1.013 682 F CB 1.824 40.770 39.000 -0.091 0.000 1.136 682 F HN 0.302 nan 8.300 nan 0.000 0.470 683 E N 4.283 123.811 120.200 -1.119 0.000 2.183 683 E HA 0.479 4.827 4.350 -0.003 0.000 0.271 683 E C -1.945 174.057 176.600 -0.997 0.000 0.919 683 E CA -0.713 55.151 56.400 -0.894 0.000 0.781 683 E CB 1.774 30.808 29.700 -1.110 0.000 1.140 683 E HN 0.663 nan 8.360 nan 0.000 0.402 684 L N 5.393 126.361 121.223 -0.425 0.000 2.318 684 L HA 0.520 4.858 4.340 -0.003 0.000 0.277 684 L C -1.640 175.158 176.870 -0.120 0.000 1.008 684 L CA -0.328 54.401 54.840 -0.186 0.000 0.846 684 L CB 0.721 42.818 42.059 0.063 0.000 1.220 684 L HN 0.512 nan 8.230 nan 0.000 0.423 685 I N 3.774 124.273 120.570 -0.119 0.000 2.321 685 I HA 0.261 4.429 4.170 -0.003 0.000 0.291 685 I C -0.074 176.026 176.117 -0.030 0.000 0.998 685 I CA -0.316 60.951 61.300 -0.055 0.000 1.227 685 I CB 1.438 39.414 38.000 -0.039 0.000 1.368 685 I HN 0.547 nan 8.210 nan 0.000 0.466 686 D N 4.492 124.885 120.400 -0.012 0.000 2.358 686 D HA 0.061 4.699 4.640 -0.003 0.000 0.258 686 D C 0.825 177.122 176.300 -0.006 0.000 1.223 686 D CA -0.087 53.909 54.000 -0.007 0.000 0.886 686 D CB 0.948 41.748 40.800 -0.000 0.000 1.120 686 D HN 0.502 nan 8.370 nan 0.000 0.482 687 Q N 4.528 124.321 119.800 -0.011 0.000 1.911 687 Q HA 0.146 4.484 4.340 -0.003 0.000 0.202 687 Q C 0.077 176.074 176.000 -0.005 0.000 0.976 687 Q CA 0.938 56.734 55.803 -0.012 0.000 0.845 687 Q CB -0.669 28.058 28.738 -0.018 0.000 0.903 687 Q HN 0.533 nan 8.270 nan 0.000 0.437 688 A N 0.188 123.006 122.820 -0.003 0.000 2.407 688 A HA 0.512 4.830 4.320 -0.003 0.000 0.248 688 A C 0.621 178.207 177.584 0.004 0.000 1.082 688 A CA 0.069 52.106 52.037 0.000 0.000 0.785 688 A CB -0.183 18.817 19.000 0.000 0.000 1.020 688 A HN 0.579 nan 8.150 nan 0.000 0.489 689 G N 1.108 109.912 108.800 0.007 0.000 2.687 689 G HA2 0.345 4.303 3.960 -0.003 0.000 0.288 689 G HA3 0.345 4.303 3.960 -0.003 0.000 0.288 689 G C 0.462 175.369 174.900 0.013 0.000 0.713 689 G CA -0.177 44.930 45.100 0.011 0.000 2.023 689 G HN 0.656 nan 8.290 nan 0.000 0.529 690 L N 1.515 122.746 121.223 0.012 0.000 2.416 690 L HA 0.313 4.651 4.340 -0.003 0.000 0.216 690 L C 1.624 178.506 176.870 0.020 0.000 1.098 690 L CA 0.539 55.386 54.840 0.011 0.000 0.840 690 L CB -0.502 41.559 42.059 0.003 0.000 0.981 690 L HN 0.669 nan 8.230 nan 0.000 0.462 691 G N -0.411 108.407 108.800 0.030 0.000 2.795 691 G HA2 -0.349 3.609 3.960 -0.003 0.000 0.664 691 G HA3 -0.349 3.609 3.960 -0.003 0.000 0.664 691 G C 0.167 175.109 174.900 0.070 0.000 1.381 691 G CA 0.288 45.422 45.100 0.057 0.000 0.853 691 G HN 0.378 nan 8.290 nan 0.000 0.545 692 H N -0.122 118.959 119.070 0.017 0.000 2.387 692 H HA -0.085 4.469 4.556 -0.004 0.000 0.299 692 H C 2.307 177.644 175.328 0.016 0.000 1.099 692 H CA 2.587 58.647 56.048 0.020 0.000 1.315 692 H CB 0.110 29.888 29.762 0.026 0.000 1.380 692 H HN 0.664 nan 8.280 nan 0.000 0.513 693 E N 0.492 120.751 120.200 0.097 0.000 2.012 693 E HA -0.249 4.099 4.350 -0.003 0.000 0.197 693 E C 1.911 178.487 176.600 -0.039 0.000 1.007 693 E CA 1.663 58.087 56.400 0.039 0.000 0.816 693 E CB 0.010 29.739 29.700 0.049 0.000 0.762 693 E HN 0.436 nan 8.360 nan 0.000 0.451 694 K N 0.432 120.817 120.400 -0.026 0.000 2.217 694 K HA 0.004 4.322 4.320 -0.003 0.000 0.202 694 K C 1.971 178.539 176.600 -0.054 0.000 1.051 694 K CA 0.381 56.649 56.287 -0.032 0.000 0.952 694 K CB -0.082 32.410 32.500 -0.014 0.000 0.736 694 K HN 0.191 nan 8.250 nan 0.000 0.453 695 L N 0.985 122.161 121.223 -0.079 0.000 2.376 695 L HA -0.106 4.231 4.340 -0.003 0.000 0.219 695 L C 1.137 177.919 176.870 -0.147 0.000 1.133 695 L CA 1.558 56.340 54.840 -0.096 0.000 0.816 695 L CB -0.463 41.542 42.059 -0.090 0.000 0.933 695 L HN 0.258 nan 8.230 nan 0.000 0.449 696 T N -0.674 113.758 114.554 -0.203 0.000 2.852 696 T HA -0.140 4.208 4.350 -0.003 0.000 0.256 696 T C 1.743 176.391 174.700 -0.086 0.000 1.038 696 T CA 0.890 62.882 62.100 -0.181 0.000 1.141 696 T CB 0.044 68.789 68.868 -0.205 0.000 0.869 696 T HN 0.375 nan 8.240 nan 0.000 0.439 697 Q N 0.570 120.330 119.800 -0.066 0.000 2.234 697 Q HA -0.091 4.247 4.340 -0.003 0.000 0.206 697 Q C 2.561 178.541 176.000 -0.033 0.000 0.980 697 Q CA 1.324 57.103 55.803 -0.040 0.000 0.869 697 Q CB -0.261 28.459 28.738 -0.031 0.000 0.912 697 Q HN 0.530 nan 8.270 nan 0.000 0.436 698 A N 1.198 123.996 122.820 -0.036 0.000 1.855 698 A HA -0.201 4.117 4.320 -0.003 0.000 0.215 698 A C 2.019 179.588 177.584 -0.024 0.000 1.191 698 A CA 1.348 53.370 52.037 -0.024 0.000 0.613 698 A CB -0.555 18.435 19.000 -0.016 0.000 0.829 698 A HN 0.222 nan 8.150 nan 0.000 0.442 699 R N -0.200 120.283 120.500 -0.029 0.000 2.117 699 R HA -0.202 4.136 4.340 -0.003 0.000 0.243 699 R C 1.693 177.979 176.300 -0.024 0.000 1.143 699 R CA 1.961 58.048 56.100 -0.021 0.000 0.968 699 R CB -0.344 29.941 30.300 -0.026 0.000 0.863 699 R HN 0.579 nan 8.270 nan 0.000 0.444 700 N N 0.504 119.190 118.700 -0.024 0.000 2.142 700 N HA -0.199 4.539 4.740 -0.003 0.000 0.186 700 N C 1.658 177.156 175.510 -0.019 0.000 1.023 700 N CA 1.073 54.113 53.050 -0.017 0.000 0.852 700 N CB -0.438 38.040 38.487 -0.016 0.000 0.998 700 N HN 0.387 nan 8.380 nan 0.000 0.424 701 Q N 0.487 120.274 119.800 -0.023 0.000 2.124 701 Q HA -0.058 4.280 4.340 -0.003 0.000 0.202 701 Q C 2.068 178.047 176.000 -0.035 0.000 0.977 701 Q CA 0.847 56.636 55.803 -0.024 0.000 0.850 701 Q CB -0.045 28.680 28.738 -0.022 0.000 0.901 701 Q HN 0.351 nan 8.270 nan 0.000 0.429 702 L N 0.129 121.321 121.223 -0.052 0.000 1.988 702 L HA -0.173 4.165 4.340 -0.003 0.000 0.207 702 L C 2.395 179.216 176.870 -0.080 0.000 1.071 702 L CA 0.964 55.749 54.840 -0.093 0.000 0.744 702 L CB -0.223 41.757 42.059 -0.131 0.000 0.893 702 L HN 0.325 nan 8.230 nan 0.000 0.433 703 L N -0.523 120.666 121.223 -0.056 0.000 2.127 703 L HA -0.202 4.136 4.340 -0.003 0.000 0.211 703 L C 2.511 179.377 176.870 -0.006 0.000 1.089 703 L CA 1.341 56.162 54.840 -0.030 0.000 0.757 703 L CB -0.273 41.778 42.059 -0.012 0.000 0.899 703 L HN 0.351 nan 8.230 nan 0.000 0.434 704 A N -1.124 121.693 122.820 -0.005 0.000 2.016 704 A HA -0.139 4.179 4.320 -0.003 0.000 0.217 704 A C 2.024 179.616 177.584 0.013 0.000 1.162 704 A CA 1.187 53.228 52.037 0.007 0.000 0.662 704 A CB -0.237 18.764 19.000 0.002 0.000 0.812 704 A HN 0.506 nan 8.150 nan 0.000 0.450 705 E N -0.522 119.682 120.200 0.007 0.000 2.447 705 E HA 0.193 4.541 4.350 -0.003 0.000 0.195 705 E C 1.970 178.612 176.600 0.070 0.000 1.028 705 E CA 0.420 56.840 56.400 0.034 0.000 0.876 705 E CB 0.009 29.717 29.700 0.013 0.000 0.885 705 E HN 0.587 nan 8.360 nan 0.000 0.500 706 A N 1.288 124.118 122.820 0.016 0.000 1.968 706 A HA -0.003 4.315 4.320 -0.003 0.000 0.217 706 A C 2.328 179.961 177.584 0.082 0.000 1.169 706 A CA 1.302 53.349 52.037 0.017 0.000 0.638 706 A CB -0.329 18.654 19.000 -0.028 0.000 0.812 706 A HN 0.269 nan 8.150 nan 0.000 0.446 707 A N -0.138 122.723 122.820 0.067 0.000 2.015 707 A HA -0.088 4.230 4.320 -0.003 0.000 0.219 707 A C 1.959 179.578 177.584 0.058 0.000 1.163 707 A CA 1.440 53.514 52.037 0.063 0.000 0.646 707 A CB -0.338 18.689 19.000 0.045 0.000 0.806 707 A HN 0.481 nan 8.150 nan 0.000 0.448 708 K N -0.719 119.723 120.400 0.070 0.000 2.504 708 K HA -0.061 4.257 4.320 -0.003 0.000 0.195 708 K C -0.476 176.015 176.600 -0.182 0.000 1.036 708 K CA 0.612 56.879 56.287 -0.033 0.000 0.984 708 K CB -0.111 32.358 32.500 -0.051 0.000 0.788 708 K HN 0.649 nan 8.250 nan 0.000 0.488 709 H N -0.242 118.821 119.070 -0.011 0.000 2.340 709 H HA 0.119 4.673 4.556 -0.003 0.000 0.233 709 H C -1.938 173.392 175.328 0.003 0.000 1.435 709 H CA -1.921 54.121 56.048 -0.010 0.000 1.389 709 H CB 0.856 30.605 29.762 -0.022 0.000 1.491 709 H HN 0.000 nan 8.280 nan 0.000 0.518 710 P HA -0.132 nan 4.420 nan 0.000 0.221 710 P C 0.838 178.175 177.300 0.061 0.000 1.150 710 P CA 0.946 64.083 63.100 0.062 0.000 0.800 710 P CB 0.504 32.225 31.700 0.034 0.000 0.787 711 D N -1.741 118.693 120.400 0.056 0.000 2.371 711 D HA -0.061 4.577 4.640 -0.003 0.000 0.234 711 D C 1.240 177.574 176.300 0.056 0.000 1.049 711 D CA 0.658 54.686 54.000 0.047 0.000 0.907 711 D CB -0.040 40.780 40.800 0.033 0.000 0.891 711 D HN 0.169 nan 8.370 nan 0.000 0.531 712 M N -0.761 118.883 119.600 0.075 0.000 2.146 712 M HA 0.130 4.608 4.480 -0.003 0.000 0.194 712 M C -0.397 175.947 176.300 0.073 0.000 1.652 712 M CA -0.011 55.324 55.300 0.058 0.000 0.986 712 M CB 0.384 33.005 32.600 0.035 0.000 1.496 712 M HN -0.101 nan 8.290 nan 0.000 0.576 713 L N 2.008 123.283 121.223 0.087 0.000 2.275 713 L HA 0.427 4.765 4.340 -0.003 0.000 0.288 713 L C -0.231 176.699 176.870 0.101 0.000 1.046 713 L CA 0.378 55.286 54.840 0.113 0.000 0.805 713 L CB 1.117 43.234 42.059 0.098 0.000 1.193 713 L HN 0.207 nan 8.230 nan 0.000 0.426 714 T N 0.356 114.967 114.554 0.096 0.000 2.887 714 T HA 0.386 4.734 4.350 -0.003 0.000 0.288 714 T C 0.422 175.147 174.700 0.041 0.000 1.021 714 T CA -0.810 61.339 62.100 0.080 0.000 1.000 714 T CB 1.500 70.415 68.868 0.078 0.000 1.034 714 T HN 0.438 nan 8.240 nan 0.000 0.467 715 S N 0.390 116.143 115.700 0.088 0.000 3.549 715 S HA -0.127 4.341 4.470 -0.003 0.000 0.366 715 S C 0.414 174.802 174.600 -0.354 0.000 1.012 715 S CA 0.022 58.214 58.200 -0.012 0.000 1.141 715 S CB -1.493 61.739 63.200 0.055 0.000 0.910 715 S HN 0.664 nan 8.310 nan 0.000 0.471 716 V N 3.172 122.982 119.914 -0.173 0.000 2.479 716 V HA 0.295 4.413 4.120 -0.003 0.000 0.281 716 V C 0.828 176.760 176.094 -0.270 0.000 1.031 716 V CA 0.333 62.526 62.300 -0.178 0.000 1.038 716 V CB 0.213 32.037 31.823 0.002 0.000 0.981 716 V HN 0.582 nan 8.190 nan 0.000 0.478 717 R N 5.820 126.112 120.500 -0.347 0.000 2.651 717 R HA 0.591 4.929 4.340 -0.003 0.000 0.278 717 R C -3.298 172.908 176.300 -0.157 0.000 1.010 717 R CA -2.047 53.863 56.100 -0.315 0.000 0.896 717 R CB 2.459 32.361 30.300 -0.665 0.000 1.211 717 R HN 0.357 nan 8.270 nan 0.000 0.456 718 P HA 0.097 nan 4.420 nan 0.000 0.280 718 P C -0.819 176.471 177.300 -0.016 0.000 1.244 718 P CA -0.458 62.631 63.100 -0.018 0.000 0.784 718 P CB 0.798 32.507 31.700 0.015 0.000 0.913 719 N N 1.676 120.368 118.700 -0.014 0.000 2.802 719 N HA 0.318 5.056 4.740 -0.003 0.000 0.288 719 N C 0.096 175.624 175.510 0.030 0.000 1.268 719 N CA -0.093 52.956 53.050 -0.001 0.000 1.035 719 N CB -0.342 38.133 38.487 -0.019 0.000 1.353 719 N HN 0.579 nan 8.380 nan 0.000 0.522 720 G N -0.800 108.024 108.800 0.040 0.000 2.749 720 G HA2 0.518 4.476 3.960 -0.003 0.000 0.300 720 G HA3 0.518 4.476 3.960 -0.003 0.000 0.300 720 G C -1.565 173.370 174.900 0.060 0.000 1.352 720 G CA -0.489 44.643 45.100 0.054 0.000 0.789 720 G HN 0.081 nan 8.290 nan 0.000 0.509 721 L N -0.550 120.714 121.223 0.068 0.000 2.298 721 L HA 0.737 5.075 4.340 -0.003 0.000 0.268 721 L C 0.078 177.000 176.870 0.087 0.000 1.010 721 L CA -0.894 53.987 54.840 0.069 0.000 0.812 721 L CB 1.253 43.346 42.059 0.057 0.000 1.331 721 L HN 0.533 nan 8.230 nan 0.000 0.450 722 E N -0.368 119.881 120.200 0.082 0.000 2.284 722 E HA 0.299 4.647 4.350 -0.003 0.000 0.255 722 E C -1.135 175.527 176.600 0.104 0.000 1.052 722 E CA -0.545 55.913 56.400 0.096 0.000 0.904 722 E CB 0.592 30.338 29.700 0.077 0.000 1.217 722 E HN 0.293 nan 8.360 nan 0.000 0.438 723 D N 1.097 121.572 120.400 0.124 0.000 2.359 723 D HA 0.122 4.760 4.640 -0.003 0.000 0.250 723 D C -0.576 175.816 176.300 0.153 0.000 1.264 723 D CA 0.041 54.123 54.000 0.137 0.000 0.911 723 D CB -0.048 40.850 40.800 0.165 0.000 1.056 723 D HN 0.284 nan 8.370 nan 0.000 0.499 724 T N 0.722 115.347 114.554 0.118 0.000 2.899 724 T HA 0.420 4.768 4.350 -0.003 0.000 0.295 724 T C -2.323 172.439 174.700 0.104 0.000 1.033 724 T CA -1.735 60.426 62.100 0.102 0.000 1.084 724 T CB 1.005 69.919 68.868 0.078 0.000 0.979 724 T HN 0.010 nan 8.240 nan 0.000 0.532 725 P HA 0.271 nan 4.420 nan 0.000 0.271 725 P C -0.779 176.624 177.300 0.171 0.000 1.218 725 P CA -0.419 62.658 63.100 -0.039 0.000 0.780 725 P CB 0.366 31.947 31.700 -0.199 0.000 0.901 726 Q N 1.240 121.157 119.800 0.196 0.000 2.309 726 Q HA 0.361 4.699 4.340 -0.003 0.000 0.270 726 Q C -1.229 174.843 176.000 0.120 0.000 1.023 726 Q CA -0.608 55.296 55.803 0.168 0.000 0.758 726 Q CB 1.330 30.090 28.738 0.036 0.000 1.247 726 Q HN 0.367 nan 8.270 nan 0.000 0.455 727 F N 3.471 123.294 119.950 -0.211 0.000 2.462 727 F HA 0.223 4.748 4.527 -0.004 0.000 0.360 727 F C -0.034 175.496 175.800 -0.450 0.000 1.134 727 F CA -0.325 57.248 58.000 -0.711 0.000 1.148 727 F CB 0.313 38.802 39.000 -0.851 0.000 1.147 727 F HN 0.207 nan 8.300 nan 0.000 0.550 728 K N 6.740 126.649 120.400 -0.820 0.000 2.227 728 K HA 0.492 4.810 4.320 -0.003 0.000 0.280 728 K C -1.148 175.019 176.600 -0.721 0.000 1.041 728 K CA -0.187 55.755 56.287 -0.574 0.000 0.905 728 K CB 0.507 32.790 32.500 -0.362 0.000 1.068 728 K HN 0.672 nan 8.250 nan 0.000 0.470 729 I N 4.065 124.355 120.570 -0.466 0.000 2.354 729 I HA 0.189 4.357 4.170 -0.003 0.000 0.286 729 I C -0.563 175.444 176.117 -0.183 0.000 1.007 729 I CA -0.604 60.489 61.300 -0.345 0.000 1.167 729 I CB 1.556 39.408 38.000 -0.247 0.000 1.320 729 I HN 0.508 nan 8.210 nan 0.000 0.458 730 D N 8.448 128.757 120.400 -0.151 0.000 2.479 730 D HA 0.253 4.891 4.640 -0.003 0.000 0.218 730 D C 0.188 176.480 176.300 -0.012 0.000 1.131 730 D CA -0.265 53.688 54.000 -0.079 0.000 0.916 730 D CB 1.022 41.773 40.800 -0.081 0.000 1.022 730 D HN 0.419 nan 8.370 nan 0.000 0.515 731 I N -0.711 119.872 120.570 0.020 0.000 2.505 731 I HA 0.086 4.254 4.170 -0.003 0.000 0.287 731 I C 0.511 176.650 176.117 0.036 0.000 1.104 731 I CA -0.397 60.950 61.300 0.079 0.000 1.387 731 I CB 0.344 38.385 38.000 0.067 0.000 1.404 731 I HN -0.084 nan 8.210 nan 0.000 0.528 732 D N 6.574 127.016 120.400 0.071 0.000 2.348 732 D HA 0.001 4.639 4.640 -0.003 0.000 0.259 732 D C 1.063 177.363 176.300 -0.000 0.000 1.296 732 D CA 0.076 54.098 54.000 0.038 0.000 0.931 732 D CB 0.943 41.780 40.800 0.062 0.000 1.067 732 D HN 0.571 nan 8.370 nan 0.000 0.503 733 Q N 2.519 122.303 119.800 -0.028 0.000 2.234 733 Q HA -0.207 4.131 4.340 -0.003 0.000 0.206 733 Q C 1.315 177.289 176.000 -0.045 0.000 0.980 733 Q CA 1.078 56.848 55.803 -0.055 0.000 0.869 733 Q CB 0.143 28.855 28.738 -0.044 0.000 0.912 733 Q HN 0.598 nan 8.270 nan 0.000 0.436 734 E N 1.253 121.442 120.200 -0.018 0.000 2.006 734 E HA -0.121 4.227 4.350 -0.003 0.000 0.192 734 E C 1.727 178.326 176.600 -0.001 0.000 0.993 734 E CA 1.235 57.629 56.400 -0.009 0.000 0.808 734 E CB 0.127 29.828 29.700 0.001 0.000 0.764 734 E HN 0.168 nan 8.360 nan 0.000 0.449 735 K N -0.095 120.319 120.400 0.024 0.000 2.280 735 K HA -0.072 4.246 4.320 -0.003 0.000 0.202 735 K C 1.994 178.628 176.600 0.055 0.000 1.047 735 K CA 0.771 57.090 56.287 0.053 0.000 0.942 735 K CB -0.060 32.495 32.500 0.091 0.000 0.739 735 K HN 0.156 nan 8.250 nan 0.000 0.457 736 A N 1.556 124.369 122.820 -0.012 0.000 1.873 736 A HA -0.199 4.119 4.320 -0.003 0.000 0.215 736 A C 2.044 179.562 177.584 -0.109 0.000 1.186 736 A CA 1.181 53.126 52.037 -0.153 0.000 0.616 736 A CB -0.368 18.409 19.000 -0.371 0.000 0.823 736 A HN 0.261 nan 8.150 nan 0.000 0.442 737 Q N -0.681 119.071 119.800 -0.080 0.000 2.170 737 Q HA -0.100 4.238 4.340 -0.003 0.000 0.203 737 Q C 2.382 178.367 176.000 -0.025 0.000 0.976 737 Q CA 1.152 56.923 55.803 -0.054 0.000 0.858 737 Q CB -0.362 28.349 28.738 -0.044 0.000 0.907 737 Q HN 0.691 nan 8.270 nan 0.000 0.433 738 A N 0.795 123.609 122.820 -0.009 0.000 1.902 738 A HA -0.154 4.164 4.320 -0.003 0.000 0.217 738 A C 1.981 179.576 177.584 0.018 0.000 1.181 738 A CA 1.126 53.167 52.037 0.008 0.000 0.623 738 A CB -0.512 18.499 19.000 0.018 0.000 0.818 738 A HN 0.293 nan 8.150 nan 0.000 0.443 739 L N -1.859 119.382 121.223 0.030 0.000 2.313 739 L HA 0.149 4.487 4.340 -0.003 0.000 0.214 739 L C 1.873 178.760 176.870 0.028 0.000 1.119 739 L CA 0.827 55.696 54.840 0.048 0.000 0.809 739 L CB -0.009 42.114 42.059 0.107 0.000 0.933 739 L HN 0.621 nan 8.230 nan 0.000 0.449 740 G N -0.393 108.406 108.800 -0.000 0.000 2.195 740 G HA2 -0.242 3.716 3.960 -0.003 0.000 0.224 740 G HA3 -0.242 3.716 3.960 -0.003 0.000 0.224 740 G C 0.390 175.274 174.900 -0.027 0.000 0.990 740 G CA 0.014 45.108 45.100 -0.009 0.000 0.639 740 G HN 0.191 nan 8.290 nan 0.000 0.514 741 V N -0.152 119.731 119.914 -0.051 0.000 2.811 741 V HA 0.734 4.852 4.120 -0.003 0.000 0.302 741 V C 0.977 176.992 176.094 -0.132 0.000 1.063 741 V CA 0.125 62.368 62.300 -0.095 0.000 1.088 741 V CB 1.508 33.230 31.823 -0.169 0.000 0.982 741 V HN 1.025 nan 8.190 nan 0.000 0.485 742 S N 2.343 117.980 115.700 -0.106 0.000 2.548 742 S HA 0.367 4.835 4.470 -0.003 0.000 0.277 742 S C 0.900 175.414 174.600 -0.143 0.000 1.315 742 S CA -0.554 57.588 58.200 -0.097 0.000 1.050 742 S CB 0.307 63.476 63.200 -0.053 0.000 0.918 742 S HN 0.618 nan 8.310 nan 0.000 0.497 743 I N 4.937 125.429 120.570 -0.130 0.000 2.208 743 I HA -0.178 3.990 4.170 -0.003 0.000 0.245 743 I C 2.349 178.408 176.117 -0.097 0.000 1.097 743 I CA 1.227 62.444 61.300 -0.138 0.000 1.363 743 I CB -0.520 37.422 38.000 -0.097 0.000 1.051 743 I HN 0.594 nan 8.210 nan 0.000 0.413 744 N N 0.588 119.252 118.700 -0.060 0.000 2.106 744 N HA -0.174 4.563 4.740 -0.003 0.000 0.188 744 N C 1.563 177.063 175.510 -0.017 0.000 1.029 744 N CA 1.453 54.486 53.050 -0.028 0.000 0.848 744 N CB -0.431 38.047 38.487 -0.016 0.000 1.007 744 N HN 0.370 nan 8.380 nan 0.000 0.423 745 D N 1.214 121.597 120.400 -0.028 0.000 2.116 745 D HA -0.147 4.491 4.640 -0.003 0.000 0.193 745 D C 2.074 178.382 176.300 0.013 0.000 0.998 745 D CA 0.847 54.847 54.000 -0.001 0.000 0.836 745 D CB -0.230 40.566 40.800 -0.007 0.000 0.951 745 D HN 0.451 nan 8.370 nan 0.000 0.449 746 I N -0.632 119.895 120.570 -0.071 0.000 2.315 746 I HA -0.146 4.022 4.170 -0.003 0.000 0.248 746 I C 1.689 177.867 176.117 0.101 0.000 1.117 746 I CA 1.266 62.525 61.300 -0.068 0.000 1.404 746 I CB -0.349 37.385 38.000 -0.445 0.000 1.071 746 I HN -0.224 nan 8.210 nan 0.000 0.419 747 N N 1.267 119.990 118.700 0.037 0.000 2.039 747 N HA -0.179 4.559 4.740 -0.003 0.000 0.193 747 N C 2.073 177.633 175.510 0.084 0.000 1.044 747 N CA 2.702 55.790 53.050 0.064 0.000 0.847 747 N CB -0.913 37.587 38.487 0.023 0.000 1.030 747 N HN 0.685 nan 8.380 nan 0.000 0.422 748 T N -1.533 113.061 114.554 0.065 0.000 3.163 748 T HA -0.031 4.317 4.350 -0.003 0.000 0.260 748 T C 1.619 176.365 174.700 0.078 0.000 1.156 748 T CA 1.527 63.665 62.100 0.063 0.000 1.072 748 T CB -0.452 68.444 68.868 0.046 0.000 0.937 748 T HN 0.356 nan 8.240 nan 0.000 0.528 749 T N -0.199 114.427 114.554 0.121 0.000 2.983 749 T HA 0.177 4.525 4.350 -0.003 0.000 0.250 749 T C 1.761 176.495 174.700 0.057 0.000 1.037 749 T CA 0.501 62.680 62.100 0.132 0.000 1.142 749 T CB -0.574 68.453 68.868 0.264 0.000 0.876 749 T HN 0.270 nan 8.240 nan 0.000 0.455 750 L N 2.248 123.565 121.223 0.157 0.000 2.083 750 L HA 0.274 4.612 4.340 -0.003 0.000 0.209 750 L C 2.498 179.401 176.870 0.055 0.000 1.083 750 L CA 1.975 56.840 54.840 0.041 0.000 0.752 750 L CB -1.096 41.003 42.059 0.067 0.000 0.899 750 L HN 0.366 nan 8.230 nan 0.000 0.433 751 G N -0.891 107.944 108.800 0.059 0.000 2.453 751 G HA2 -0.253 3.705 3.960 -0.003 0.000 0.215 751 G HA3 -0.253 3.705 3.960 -0.003 0.000 0.215 751 G C 1.601 176.532 174.900 0.052 0.000 1.201 751 G CA 0.788 45.927 45.100 0.065 0.000 0.784 751 G HN 0.602 nan 8.290 nan 0.000 0.545 752 A N 0.958 123.790 122.820 0.020 0.000 1.978 752 A HA 0.236 4.554 4.320 -0.003 0.000 0.220 752 A C 2.758 180.293 177.584 -0.081 0.000 1.170 752 A CA 2.359 54.397 52.037 0.002 0.000 0.636 752 A CB -0.680 18.328 19.000 0.013 0.000 0.810 752 A HN 0.776 nan 8.150 nan 0.000 0.448 753 A N -1.364 121.311 122.820 -0.241 0.000 1.840 753 A HA -0.046 4.272 4.320 -0.003 0.000 0.214 753 A C 1.933 179.300 177.584 -0.362 0.000 1.198 753 A CA 1.414 53.122 52.037 -0.549 0.000 0.608 753 A CB -0.770 17.395 19.000 -1.392 0.000 0.839 753 A HN 0.706 nan 8.150 nan 0.000 0.443 754 W N -0.994 120.161 121.300 -0.241 0.000 2.539 754 W HA 0.267 4.924 4.660 -0.004 0.000 0.281 754 W C 2.364 178.859 176.519 -0.039 0.000 1.220 754 W CA 0.725 57.999 57.345 -0.119 0.000 1.332 754 W CB -0.344 29.029 29.460 -0.145 0.000 1.095 754 W HN 0.356 nan 8.180 nan 0.000 0.571 755 G N -0.547 108.355 108.800 0.171 0.000 2.887 755 G HA2 0.405 4.363 3.960 -0.003 0.000 0.211 755 G HA3 0.405 4.363 3.960 -0.003 0.000 0.211 755 G C 0.764 175.718 174.900 0.091 0.000 1.152 755 G CA 0.310 45.486 45.100 0.125 0.000 0.769 755 G HN 0.408 nan 8.290 nan 0.000 0.541 756 G N -0.929 107.912 108.800 0.068 0.000 2.846 756 G HA2 0.156 4.114 3.960 -0.003 0.000 0.660 756 G HA3 0.156 4.114 3.960 -0.003 0.000 0.660 756 G C -0.363 174.628 174.900 0.153 0.000 1.464 756 G CA 0.046 45.187 45.100 0.068 0.000 0.891 756 G HN 1.121 nan 8.290 nan 0.000 0.552 757 S N -0.940 114.901 115.700 0.235 0.000 2.572 757 S HA 0.535 5.003 4.470 -0.003 0.000 0.274 757 S C -1.012 173.759 174.600 0.284 0.000 1.150 757 S CA -0.473 57.868 58.200 0.235 0.000 0.944 757 S CB 1.223 64.492 63.200 0.114 0.000 1.071 757 S HN 1.606 nan 8.310 nan 0.000 0.479 758 Y N 6.274 126.578 120.300 0.007 0.000 2.504 758 Y HA 0.411 4.959 4.550 -0.003 0.000 0.351 758 Y C 0.678 176.462 175.900 -0.192 0.000 0.988 758 Y CA -0.377 57.506 58.100 -0.362 0.000 1.239 758 Y CB -0.080 38.154 38.460 -0.376 0.000 1.128 758 Y HN 0.430 nan 8.280 nan 0.000 0.525 759 V N 5.153 124.929 119.914 -0.231 0.000 2.249 759 V HA -0.048 4.070 4.120 -0.003 0.000 0.239 759 V C 0.650 176.506 176.094 -0.397 0.000 1.038 759 V CA 1.781 63.943 62.300 -0.231 0.000 1.005 759 V CB -0.486 31.289 31.823 -0.080 0.000 0.646 759 V HN 0.872 nan 8.190 nan 0.000 0.455 760 N N -1.398 117.102 118.700 -0.335 0.000 3.441 760 N HA 0.158 4.896 4.740 -0.003 0.000 0.313 760 N C -2.018 173.506 175.510 0.024 0.000 1.526 760 N CA -0.601 52.294 53.050 -0.259 0.000 0.871 760 N CB 1.134 39.559 38.487 -0.102 0.000 1.779 760 N HN 0.062 nan 8.380 nan 0.000 0.529 761 D N -0.484 119.981 120.400 0.109 0.000 2.228 761 D HA 0.640 5.278 4.640 -0.003 0.000 0.247 761 D C -0.684 175.806 176.300 0.317 0.000 0.995 761 D CA -0.090 54.047 54.000 0.228 0.000 0.903 761 D CB 1.522 42.411 40.800 0.148 0.000 1.205 761 D HN 0.469 nan 8.370 nan 0.000 0.459 762 F N -1.075 118.947 119.950 0.120 0.000 2.664 762 F HA 0.686 5.211 4.527 -0.003 0.000 0.329 762 F C -1.297 174.564 175.800 0.102 0.000 1.090 762 F CA -1.144 56.947 58.000 0.152 0.000 0.978 762 F CB 0.974 40.138 39.000 0.273 0.000 1.378 762 F HN 0.093 nan 8.300 nan 0.000 0.495 763 I N 2.175 122.623 120.570 -0.202 0.000 2.359 763 I HA 0.197 4.365 4.170 -0.003 0.000 0.284 763 I C -1.088 174.826 176.117 -0.338 0.000 1.018 763 I CA -0.290 60.832 61.300 -0.296 0.000 1.173 763 I CB 1.004 38.967 38.000 -0.061 0.000 1.326 763 I HN 0.506 nan 8.210 nan 0.000 0.462 764 D N 7.476 127.555 120.400 -0.535 0.000 2.412 764 D HA 0.255 4.893 4.640 -0.003 0.000 0.224 764 D C 0.574 176.832 176.300 -0.071 0.000 1.093 764 D CA -0.307 53.568 54.000 -0.209 0.000 0.850 764 D CB 0.653 41.324 40.800 -0.215 0.000 1.046 764 D HN 0.476 nan 8.370 nan 0.000 0.507 765 R N 2.402 122.909 120.500 0.011 0.000 3.863 765 R HA -0.248 4.090 4.340 -0.003 0.000 0.313 765 R C 1.016 177.306 176.300 -0.016 0.000 1.202 765 R CA 0.848 56.960 56.100 0.019 0.000 0.852 765 R CB -1.684 28.642 30.300 0.044 0.000 1.292 765 R HN 0.748 nan 8.270 nan 0.000 0.519 766 G N -0.143 108.632 108.800 -0.041 0.000 2.163 766 G HA2 -0.310 3.648 3.960 -0.003 0.000 0.213 766 G HA3 -0.310 3.648 3.960 -0.003 0.000 0.213 766 G C -0.070 174.785 174.900 -0.076 0.000 0.991 766 G CA 0.121 45.192 45.100 -0.049 0.000 0.653 766 G HN 0.415 nan 8.290 nan 0.000 0.518 767 R N 0.097 120.531 120.500 -0.111 0.000 2.534 767 R HA 0.637 4.975 4.340 -0.003 0.000 0.301 767 R C -0.137 176.045 176.300 -0.197 0.000 0.961 767 R CA -0.598 55.425 56.100 -0.129 0.000 0.871 767 R CB 1.940 32.170 30.300 -0.118 0.000 1.170 767 R HN 0.398 nan 8.270 nan 0.000 0.446 768 V N 5.303 125.125 119.914 -0.154 0.000 2.479 768 V HA 0.250 4.368 4.120 -0.003 0.000 0.281 768 V C -0.717 175.272 176.094 -0.175 0.000 1.031 768 V CA 0.651 62.852 62.300 -0.165 0.000 1.038 768 V CB 0.358 32.136 31.823 -0.075 0.000 0.981 768 V HN 0.823 nan 8.190 nan 0.000 0.478 769 K N 5.072 125.306 120.400 -0.278 0.000 2.263 769 K HA 0.608 4.926 4.320 -0.003 0.000 0.249 769 K C -0.990 175.658 176.600 0.080 0.000 1.076 769 K CA -1.128 55.074 56.287 -0.142 0.000 0.884 769 K CB 1.893 34.286 32.500 -0.178 0.000 1.394 769 K HN 0.497 nan 8.250 nan 0.000 0.476 770 K N 0.872 121.381 120.400 0.182 0.000 2.087 770 K HA 0.432 4.750 4.320 -0.003 0.000 0.255 770 K C -0.790 175.972 176.600 0.270 0.000 0.988 770 K CA -0.685 55.700 56.287 0.164 0.000 0.915 770 K CB 1.522 33.888 32.500 -0.223 0.000 1.043 770 K HN 0.146 nan 8.250 nan 0.000 0.457 771 V N 3.012 123.016 119.914 0.151 0.000 2.409 771 V HA 0.295 4.413 4.120 -0.003 0.000 0.291 771 V C -1.254 174.771 176.094 -0.115 0.000 1.020 771 V CA -0.809 61.457 62.300 -0.057 0.000 0.848 771 V CB 0.567 32.358 31.823 -0.053 0.000 0.990 771 V HN 0.585 nan 8.190 nan 0.000 0.430 772 Y N 2.706 122.947 120.300 -0.097 0.000 2.468 772 Y HA 0.700 5.249 4.550 -0.003 0.000 0.342 772 Y C -0.049 175.729 175.900 -0.203 0.000 1.021 772 Y CA -0.776 57.266 58.100 -0.097 0.000 1.079 772 Y CB 2.277 40.645 38.460 -0.153 0.000 1.226 772 Y HN 0.396 nan 8.280 nan 0.000 0.460 773 V N 5.737 125.687 119.914 0.060 0.000 2.487 773 V HA 0.723 4.841 4.120 -0.003 0.000 0.298 773 V C -1.047 175.030 176.094 -0.028 0.000 1.028 773 V CA -0.501 61.778 62.300 -0.035 0.000 0.860 773 V CB 1.358 33.184 31.823 0.006 0.000 0.991 773 V HN 0.874 nan 8.190 nan 0.000 0.427 774 M N 5.315 124.849 119.600 -0.110 0.000 2.520 774 M HA 0.554 5.032 4.480 -0.003 0.000 0.280 774 M C -0.559 175.819 176.300 0.129 0.000 1.232 774 M CA -0.243 55.033 55.300 -0.040 0.000 0.892 774 M CB 2.320 34.848 32.600 -0.120 0.000 1.728 774 M HN 0.644 nan 8.290 nan 0.000 0.475 775 S N 1.670 117.466 115.700 0.161 0.000 2.568 775 S HA 0.146 4.614 4.470 -0.003 0.000 0.282 775 S C -0.267 174.621 174.600 0.480 0.000 1.338 775 S CA -0.105 58.295 58.200 0.334 0.000 1.045 775 S CB 0.316 63.657 63.200 0.235 0.000 0.873 775 S HN 0.762 nan 8.310 nan 0.000 0.516 776 E N 2.227 122.718 120.200 0.484 0.000 2.481 776 E HA 0.055 4.402 4.350 -0.003 0.000 0.263 776 E C 1.529 178.182 176.600 0.088 0.000 0.992 776 E CA 0.280 56.851 56.400 0.285 0.000 0.938 776 E CB 0.354 30.231 29.700 0.296 0.000 0.933 776 E HN 0.778 nan 8.360 nan 0.000 0.453 777 A N 4.959 127.671 122.820 -0.179 0.000 1.909 777 A HA -0.319 3.999 4.320 -0.003 0.000 0.221 777 A C 1.849 179.307 177.584 -0.209 0.000 1.223 777 A CA 2.492 54.402 52.037 -0.211 0.000 0.658 777 A CB -0.618 18.191 19.000 -0.319 0.000 0.831 777 A HN 0.752 nan 8.150 nan 0.000 0.462 778 K N -1.860 118.354 120.400 -0.310 0.000 2.574 778 K HA -0.067 4.251 4.320 -0.003 0.000 0.193 778 K C 0.447 176.708 176.600 -0.565 0.000 1.035 778 K CA 1.348 57.357 56.287 -0.463 0.000 0.982 778 K CB -0.347 31.800 32.500 -0.588 0.000 0.795 778 K HN 0.627 nan 8.250 nan 0.000 0.491 779 Y N 1.581 121.814 120.300 -0.112 0.000 2.636 779 Y HA 0.248 4.796 4.550 -0.003 0.000 0.260 779 Y C -0.088 175.665 175.900 -0.246 0.000 1.177 779 Y CA -0.928 57.115 58.100 -0.094 0.000 1.209 779 Y CB 0.695 39.126 38.460 -0.047 0.000 1.166 779 Y HN 0.094 nan 8.280 nan 0.000 0.531 780 R N -1.375 118.902 120.500 -0.370 0.000 2.570 780 R HA 0.344 4.682 4.340 -0.003 0.000 0.246 780 R C -0.464 175.619 176.300 -0.361 0.000 1.417 780 R CA -0.035 55.428 56.100 -1.062 0.000 1.525 780 R CB -0.249 29.337 30.300 -1.189 0.000 1.403 780 R HN 0.092 nan 8.270 nan 0.000 0.754 781 M N 0.103 119.661 119.600 -0.070 0.000 2.363 781 M HA 0.371 4.849 4.480 -0.003 0.000 0.243 781 M C -0.106 176.268 176.300 0.124 0.000 1.364 781 M CA 0.478 55.805 55.300 0.045 0.000 1.104 781 M CB 0.503 33.081 32.600 -0.037 0.000 1.570 781 M HN 0.265 nan 8.290 nan 0.000 0.564 782 L N -0.266 121.048 121.223 0.151 0.000 2.371 782 L HA 0.355 4.693 4.340 -0.003 0.000 0.262 782 L C -1.706 175.191 176.870 0.045 0.000 1.006 782 L CA -1.815 53.069 54.840 0.072 0.000 0.818 782 L CB 2.058 44.141 42.059 0.040 0.000 1.354 782 L HN -0.189 nan 8.230 nan 0.000 0.415 783 P HA -0.201 nan 4.420 nan 0.000 0.218 783 P C 0.559 177.831 177.300 -0.047 0.000 1.152 783 P CA 1.284 64.154 63.100 -0.384 0.000 0.857 783 P CB 0.226 31.695 31.700 -0.385 0.000 0.787 784 D N -1.309 119.108 120.400 0.029 0.000 2.350 784 D HA -0.107 4.531 4.640 -0.003 0.000 0.216 784 D C 1.094 177.466 176.300 0.119 0.000 0.968 784 D CA 0.849 54.890 54.000 0.068 0.000 0.894 784 D CB -0.531 40.302 40.800 0.055 0.000 0.909 784 D HN 0.202 nan 8.370 nan 0.000 0.520 785 D N -0.145 120.381 120.400 0.210 0.000 2.317 785 D HA -0.042 4.596 4.640 -0.003 0.000 0.211 785 D C 2.109 178.686 176.300 0.462 0.000 0.966 785 D CA 0.023 54.217 54.000 0.322 0.000 0.876 785 D CB 0.098 41.124 40.800 0.376 0.000 0.927 785 D HN 0.226 nan 8.370 nan 0.000 0.519 786 I N 0.978 121.767 120.570 0.364 0.000 2.335 786 I HA -0.164 4.004 4.170 -0.003 0.000 0.251 786 I C 2.447 178.650 176.117 0.144 0.000 1.129 786 I CA 1.149 62.576 61.300 0.210 0.000 1.402 786 I CB -1.515 36.469 38.000 -0.027 0.000 1.069 786 I HN 0.014 nan 8.210 nan 0.000 0.424 787 G N 1.216 110.072 108.800 0.093 0.000 2.442 787 G HA2 -0.277 3.681 3.960 -0.003 0.000 0.219 787 G HA3 -0.277 3.681 3.960 -0.003 0.000 0.219 787 G C 1.147 175.972 174.900 -0.125 0.000 1.141 787 G CA 0.976 46.072 45.100 -0.007 0.000 0.763 787 G HN 0.354 nan 8.290 nan 0.000 0.554 788 D N -0.613 119.755 120.400 -0.053 0.000 2.265 788 D HA -0.031 4.607 4.640 -0.003 0.000 0.208 788 D C 0.326 176.342 176.300 -0.472 0.000 0.977 788 D CA 0.492 54.353 54.000 -0.233 0.000 0.871 788 D CB 0.017 40.660 40.800 -0.262 0.000 0.925 788 D HN 0.512 nan 8.370 nan 0.000 0.485 789 W N -0.313 120.890 121.300 -0.162 0.000 2.496 789 W HA 0.496 5.154 4.660 -0.004 0.000 0.327 789 W C -0.576 175.907 176.519 -0.060 0.000 1.086 789 W CA -0.798 56.546 57.345 -0.002 0.000 1.222 789 W CB 0.648 30.148 29.460 0.067 0.000 1.304 789 W HN -0.222 nan 8.180 nan 0.000 0.547 790 Y N 1.179 121.793 120.300 0.524 0.000 2.462 790 Y HA 0.618 5.166 4.550 -0.003 0.000 0.346 790 Y C -0.234 175.872 175.900 0.344 0.000 0.976 790 Y CA -1.438 56.874 58.100 0.353 0.000 1.044 790 Y CB 1.563 40.126 38.460 0.170 0.000 1.230 790 Y HN -0.022 nan 8.280 nan 0.000 0.455 791 V N 2.623 122.771 119.914 0.390 0.000 2.495 791 V HA 0.482 4.600 4.120 -0.003 0.000 0.298 791 V C -0.264 175.951 176.094 0.200 0.000 1.031 791 V CA -1.236 61.218 62.300 0.258 0.000 0.871 791 V CB 1.607 33.514 31.823 0.140 0.000 0.988 791 V HN 0.721 nan 8.190 nan 0.000 0.432 792 R N 3.324 123.913 120.500 0.150 0.000 2.389 792 R HA 0.604 4.942 4.340 -0.003 0.000 0.295 792 R C 0.201 176.543 176.300 0.070 0.000 1.075 792 R CA 0.187 56.350 56.100 0.105 0.000 1.005 792 R CB 0.744 31.096 30.300 0.088 0.000 0.987 792 R HN 0.926 nan 8.270 nan 0.000 0.452 793 A N 3.543 126.400 122.820 0.063 0.000 2.259 793 A HA 0.485 4.803 4.320 -0.003 0.000 0.278 793 A C 1.159 178.758 177.584 0.025 0.000 1.107 793 A CA 0.087 52.147 52.037 0.038 0.000 0.828 793 A CB 0.359 19.387 19.000 0.046 0.000 1.111 793 A HN 0.999 nan 8.150 nan 0.000 0.498 794 A N -0.064 122.763 122.820 0.013 0.000 1.940 794 A HA -0.179 4.139 4.320 -0.003 0.000 0.219 794 A C 1.653 179.244 177.584 0.013 0.000 1.176 794 A CA 2.123 54.165 52.037 0.009 0.000 0.631 794 A CB -0.787 18.213 19.000 0.001 0.000 0.814 794 A HN 0.907 nan 8.150 nan 0.000 0.446 795 D N -2.083 118.327 120.400 0.016 0.000 2.103 795 D HA 0.131 4.769 4.640 -0.003 0.000 0.199 795 D C 1.360 177.671 176.300 0.018 0.000 0.978 795 D CA 1.709 55.718 54.000 0.015 0.000 0.829 795 D CB -0.429 40.381 40.800 0.015 0.000 0.981 795 D HN 0.790 nan 8.370 nan 0.000 0.464 796 G N 0.621 109.436 108.800 0.024 0.000 2.870 796 G HA2 -0.146 3.812 3.960 -0.003 0.000 0.216 796 G HA3 -0.146 3.812 3.960 -0.003 0.000 0.216 796 G C 0.082 174.998 174.900 0.028 0.000 0.973 796 G CA 0.145 45.261 45.100 0.026 0.000 0.807 796 G HN 0.616 nan 8.290 nan 0.000 0.573 797 Q N 0.920 120.737 119.800 0.029 0.000 2.260 797 Q HA 0.781 5.119 4.340 -0.003 0.000 0.242 797 Q C 0.068 176.099 176.000 0.051 0.000 0.932 797 Q CA -0.739 55.081 55.803 0.028 0.000 0.891 797 Q CB 1.024 29.777 28.738 0.025 0.000 1.222 797 Q HN 0.088 nan 8.270 nan 0.000 0.453 798 M N 2.184 121.808 119.600 0.041 0.000 2.233 798 M HA 0.366 4.844 4.480 -0.003 0.000 0.355 798 M C -0.906 175.495 176.300 0.169 0.000 1.191 798 M CA -0.720 54.636 55.300 0.094 0.000 1.101 798 M CB 1.294 33.892 32.600 -0.005 0.000 1.592 798 M HN 0.545 nan 8.290 nan 0.000 0.461 799 V N 5.642 125.715 119.914 0.266 0.000 2.448 799 V HA 0.445 4.563 4.120 -0.003 0.000 0.295 799 V C -2.049 174.210 176.094 0.274 0.000 1.025 799 V CA -1.556 60.897 62.300 0.254 0.000 0.859 799 V CB 1.929 33.898 31.823 0.244 0.000 0.988 799 V HN 0.667 nan 8.190 nan 0.000 0.431 800 P HA 0.184 nan 4.420 nan 0.000 0.272 800 P C 0.559 177.613 177.300 -0.410 0.000 1.223 800 P CA -0.113 62.900 63.100 -0.145 0.000 0.784 800 P CB 0.997 32.667 31.700 -0.051 0.000 0.923 801 F N 1.042 120.694 119.950 -0.497 0.000 2.186 801 F HA -0.177 4.348 4.527 -0.003 0.000 0.299 801 F C 2.556 177.900 175.800 -0.760 0.000 1.090 801 F CA 2.245 59.818 58.000 -0.712 0.000 1.307 801 F CB -0.478 38.393 39.000 -0.215 0.000 1.019 801 F HN 0.296 nan 8.300 nan 0.000 0.489 802 S N -0.312 115.247 115.700 -0.235 0.000 2.595 802 S HA 0.041 4.509 4.470 -0.003 0.000 0.235 802 S C 1.709 176.185 174.600 -0.207 0.000 0.974 802 S CA 0.458 58.560 58.200 -0.163 0.000 0.942 802 S CB -0.480 62.680 63.200 -0.067 0.000 0.766 802 S HN 0.247 nan 8.310 nan 0.000 0.536 803 A N 1.045 123.641 122.820 -0.372 0.000 2.132 803 A HA 0.426 4.744 4.320 -0.003 0.000 0.213 803 A C 1.236 178.745 177.584 -0.124 0.000 1.154 803 A CA 0.341 52.244 52.037 -0.224 0.000 0.753 803 A CB -0.486 18.414 19.000 -0.168 0.000 0.826 803 A HN 0.941 nan 8.150 nan 0.000 0.469 804 F N -1.664 118.269 119.950 -0.029 0.000 2.901 804 F HA 0.408 4.933 4.527 -0.003 0.000 0.329 804 F C 0.008 175.792 175.800 -0.028 0.000 1.185 804 F CA -0.142 57.831 58.000 -0.045 0.000 1.114 804 F CB -0.018 38.930 39.000 -0.087 0.000 1.199 804 F HN 0.054 nan 8.300 nan 0.000 0.513 805 S N 0.149 115.905 115.700 0.092 0.000 2.571 805 S HA 0.649 5.117 4.470 -0.003 0.000 0.284 805 S C -0.815 173.797 174.600 0.020 0.000 1.128 805 S CA -0.538 57.736 58.200 0.124 0.000 0.970 805 S CB 1.794 65.129 63.200 0.226 0.000 1.039 805 S HN 0.254 nan 8.310 nan 0.000 0.485 806 S N 1.804 117.497 115.700 -0.012 0.000 2.608 806 S HA 0.869 5.337 4.470 -0.003 0.000 0.291 806 S C -0.433 174.072 174.600 -0.159 0.000 1.146 806 S CA -0.271 57.888 58.200 -0.068 0.000 1.043 806 S CB 0.789 63.952 63.200 -0.062 0.000 1.037 806 S HN 1.530 nan 8.310 nan 0.000 0.520 807 S N 3.272 118.839 115.700 -0.222 0.000 2.536 807 S HA 0.816 5.284 4.470 -0.003 0.000 0.271 807 S C -0.833 173.481 174.600 -0.476 0.000 1.134 807 S CA -1.115 56.802 58.200 -0.471 0.000 0.897 807 S CB 1.588 64.462 63.200 -0.543 0.000 1.094 807 S HN 1.054 nan 8.310 nan 0.000 0.473 808 R N 0.294 120.384 120.500 -0.684 0.000 2.844 808 R HA 0.629 4.967 4.340 -0.003 0.000 0.264 808 R C -1.936 173.990 176.300 -0.624 0.000 1.077 808 R CA -1.216 54.608 56.100 -0.460 0.000 0.953 808 R CB 0.594 30.770 30.300 -0.207 0.000 1.272 808 R HN 0.586 nan 8.270 nan 0.000 0.447 809 W N 0.296 121.498 121.300 -0.164 0.000 2.606 809 W HA 0.490 5.149 4.660 -0.002 0.000 0.332 809 W C -0.114 176.269 176.519 -0.227 0.000 1.052 809 W CA -0.330 56.909 57.345 -0.178 0.000 1.223 809 W CB 1.985 31.361 29.460 -0.140 0.000 1.383 809 W HN 0.473 nan 8.180 nan 0.000 0.524 810 E N 0.593 120.779 120.200 -0.023 0.000 2.404 810 E HA 0.548 4.896 4.350 -0.003 0.000 0.264 810 E C -1.518 174.877 176.600 -0.342 0.000 0.946 810 E CA -1.128 55.214 56.400 -0.096 0.000 0.806 810 E CB 2.207 31.884 29.700 -0.038 0.000 1.334 810 E HN 0.310 nan 8.360 nan 0.000 0.429 811 Y N -1.017 119.331 120.300 0.080 0.000 2.633 811 Y HA 0.738 5.285 4.550 -0.004 0.000 0.339 811 Y C 0.411 176.324 175.900 0.022 0.000 1.045 811 Y CA -0.404 57.731 58.100 0.060 0.000 1.098 811 Y CB 2.681 41.171 38.460 0.050 0.000 1.296 811 Y HN 0.690 nan 8.280 nan 0.000 0.494 812 G N -0.022 108.886 108.800 0.180 0.000 2.352 812 G HA2 0.380 4.338 3.960 -0.003 0.000 0.302 812 G HA3 0.380 4.338 3.960 -0.003 0.000 0.302 812 G C -1.530 173.355 174.900 -0.025 0.000 1.370 812 G CA -0.651 44.463 45.100 0.024 0.000 0.918 812 G HN 0.852 nan 8.290 nan 0.000 0.610 813 S N -0.166 115.436 115.700 -0.163 0.000 2.617 813 S HA 0.798 5.266 4.470 -0.003 0.000 0.283 813 S C -1.586 172.984 174.600 -0.051 0.000 1.189 813 S CA -0.798 57.327 58.200 -0.126 0.000 1.036 813 S CB 2.553 65.582 63.200 -0.285 0.000 1.014 813 S HN 0.437 nan 8.310 nan 0.000 0.522 814 P HA 0.252 nan 4.420 nan 0.000 0.245 814 P C -0.012 177.299 177.300 0.018 0.000 1.199 814 P CA 0.283 63.391 63.100 0.013 0.000 0.807 814 P CB 0.212 31.931 31.700 0.032 0.000 1.002 815 R N 0.451 120.967 120.500 0.026 0.000 2.545 815 R HA 0.418 4.756 4.340 -0.003 0.000 0.289 815 R C -1.156 175.179 176.300 0.059 0.000 1.327 815 R CA -0.580 55.545 56.100 0.042 0.000 1.040 815 R CB 0.379 30.709 30.300 0.051 0.000 1.176 815 R HN 0.013 nan 8.270 nan 0.000 0.518 816 L N 3.941 125.192 121.223 0.047 0.000 2.261 816 L HA 0.295 4.633 4.340 -0.003 0.000 0.289 816 L C 0.074 176.992 176.870 0.081 0.000 1.059 816 L CA -0.018 54.865 54.840 0.072 0.000 0.816 816 L CB 1.211 43.295 42.059 0.042 0.000 1.191 816 L HN 0.419 nan 8.230 nan 0.000 0.431 817 E N 4.564 124.823 120.200 0.099 0.000 2.266 817 E HA 0.506 4.854 4.350 -0.003 0.000 0.277 817 E C -0.740 175.911 176.600 0.086 0.000 1.018 817 E CA -0.736 55.716 56.400 0.086 0.000 0.840 817 E CB 1.432 31.180 29.700 0.080 0.000 1.082 817 E HN 0.426 nan 8.360 nan 0.000 0.395 818 R N 2.299 122.850 120.500 0.085 0.000 2.532 818 R HA 0.295 4.633 4.340 -0.003 0.000 0.297 818 R C -1.464 174.908 176.300 0.121 0.000 0.984 818 R CA -0.855 55.294 56.100 0.082 0.000 0.884 818 R CB 1.531 31.861 30.300 0.049 0.000 1.182 818 R HN 0.526 nan 8.270 nan 0.000 0.442 819 Y N 3.038 123.321 120.300 -0.027 0.000 2.328 819 Y HA 0.158 4.706 4.550 -0.003 0.000 0.337 819 Y C -0.177 175.699 175.900 -0.040 0.000 0.966 819 Y CA -0.691 57.382 58.100 -0.045 0.000 1.136 819 Y CB 1.054 39.458 38.460 -0.094 0.000 1.170 819 Y HN 0.703 nan 8.280 nan 0.000 0.470 820 N N 3.909 122.368 118.700 -0.402 0.000 2.735 820 N HA -0.199 4.539 4.740 -0.003 0.000 0.248 820 N C 0.761 176.202 175.510 -0.115 0.000 1.083 820 N CA 1.634 54.520 53.050 -0.273 0.000 0.703 820 N CB -1.309 37.022 38.487 -0.260 0.000 1.005 820 N HN 1.259 nan 8.380 nan 0.000 0.550 821 G N -2.313 106.442 108.800 -0.075 0.000 2.175 821 G HA2 -0.280 3.678 3.960 -0.003 0.000 0.244 821 G HA3 -0.280 3.678 3.960 -0.003 0.000 0.244 821 G C -0.156 174.738 174.900 -0.010 0.000 0.982 821 G CA 0.426 45.504 45.100 -0.036 0.000 0.641 821 G HN 0.431 nan 8.290 nan 0.000 0.527 822 L N 0.186 121.412 121.223 0.004 0.000 2.388 822 L HA 0.519 4.857 4.340 -0.003 0.000 0.264 822 L C -2.387 174.507 176.870 0.041 0.000 0.998 822 L CA -2.633 52.219 54.840 0.020 0.000 0.817 822 L CB 2.417 44.485 42.059 0.015 0.000 1.338 822 L HN -0.219 nan 8.230 nan 0.000 0.414 823 P HA 0.005 nan 4.420 nan 0.000 0.260 823 P C -0.910 176.415 177.300 0.041 0.000 1.172 823 P CA 0.264 63.395 63.100 0.051 0.000 0.760 823 P CB 0.575 32.304 31.700 0.049 0.000 0.773 824 S N 2.823 118.552 115.700 0.049 0.000 2.685 824 S HA 0.856 5.324 4.470 -0.003 0.000 0.282 824 S C -0.932 173.677 174.600 0.015 0.000 1.159 824 S CA -0.892 57.322 58.200 0.022 0.000 0.833 824 S CB 1.565 64.794 63.200 0.048 0.000 1.151 824 S HN 0.233 nan 8.310 nan 0.000 0.485 825 M N 1.255 120.846 119.600 -0.014 0.000 2.238 825 M HA 0.390 4.868 4.480 -0.003 0.000 0.278 825 M C -1.278 175.016 176.300 -0.011 0.000 1.040 825 M CA -0.041 55.260 55.300 0.002 0.000 0.969 825 M CB 2.471 35.073 32.600 0.003 0.000 1.694 825 M HN 0.870 nan 8.290 nan 0.000 0.472 826 E N 4.020 124.217 120.200 -0.005 0.000 2.130 826 E HA 0.466 4.814 4.350 -0.003 0.000 0.284 826 E C -1.522 175.098 176.600 0.034 0.000 1.018 826 E CA -0.372 56.018 56.400 -0.016 0.000 0.817 826 E CB 0.801 30.486 29.700 -0.025 0.000 1.078 826 E HN 0.528 nan 8.360 nan 0.000 0.396 827 I N 5.796 126.436 120.570 0.116 0.000 2.378 827 I HA 0.288 4.456 4.170 -0.003 0.000 0.291 827 I C -0.207 175.982 176.117 0.119 0.000 0.992 827 I CA -0.423 60.944 61.300 0.112 0.000 1.154 827 I CB 1.254 39.342 38.000 0.147 0.000 1.315 827 I HN 0.361 nan 8.210 nan 0.000 0.448 828 L N 4.583 125.750 121.223 -0.094 0.000 2.298 828 L HA 1.077 5.415 4.340 -0.003 0.000 0.268 828 L C 0.346 176.841 176.870 -0.625 0.000 1.010 828 L CA -0.867 53.763 54.840 -0.352 0.000 0.812 828 L CB 1.624 43.462 42.059 -0.368 0.000 1.331 828 L HN 0.735 nan 8.230 nan 0.000 0.450 829 G N -0.286 107.813 108.800 -1.169 0.000 2.387 829 G HA2 0.414 4.372 3.960 -0.003 0.000 0.294 829 G HA3 0.414 4.372 3.960 -0.003 0.000 0.294 829 G C -1.994 172.421 174.900 -0.808 0.000 1.509 829 G CA -0.597 43.969 45.100 -0.890 0.000 0.806 829 G HN 0.499 nan 8.290 nan 0.000 0.546 830 Q N -0.835 118.798 119.800 -0.278 0.000 2.427 830 Q HA 0.778 5.116 4.340 -0.003 0.000 0.232 830 Q C 0.077 176.129 176.000 0.087 0.000 1.018 830 Q CA -0.684 55.071 55.803 -0.081 0.000 0.965 830 Q CB 2.008 30.734 28.738 -0.019 0.000 1.232 830 Q HN 0.929 nan 8.270 nan 0.000 0.510 831 A N 0.203 123.082 122.820 0.098 0.000 2.325 831 A HA 0.749 5.067 4.320 -0.003 0.000 0.333 831 A C -0.509 177.118 177.584 0.071 0.000 1.155 831 A CA -0.392 51.707 52.037 0.104 0.000 0.814 831 A CB 0.806 19.861 19.000 0.091 0.000 1.206 831 A HN 0.721 nan 8.150 nan 0.000 0.482 832 A N 2.792 125.650 122.820 0.064 0.000 2.387 832 A HA 0.499 4.817 4.320 -0.003 0.000 0.251 832 A C -0.953 176.654 177.584 0.039 0.000 1.113 832 A CA -0.497 51.571 52.037 0.052 0.000 0.794 832 A CB -0.761 18.268 19.000 0.048 0.000 1.069 832 A HN 0.625 nan 8.150 nan 0.000 0.506 833 P HA -0.220 nan 4.420 nan 0.000 0.222 833 P C 1.027 178.336 177.300 0.015 0.000 1.147 833 P CA 2.163 65.276 63.100 0.022 0.000 0.958 833 P CB -0.423 31.287 31.700 0.016 0.000 0.788 834 G N 0.949 109.755 108.800 0.010 0.000 2.852 834 G HA2 0.041 3.998 3.960 -0.003 0.000 0.280 834 G HA3 0.041 3.998 3.960 -0.003 0.000 0.280 834 G C -0.035 174.869 174.900 0.006 0.000 0.731 834 G CA -0.310 44.791 45.100 0.001 0.000 2.037 834 G HN 0.209 nan 8.290 nan 0.000 0.560 835 K N 0.752 121.158 120.400 0.010 0.000 2.249 835 K HA 0.454 4.772 4.320 -0.003 0.000 0.280 835 K C -0.569 176.036 176.600 0.008 0.000 1.033 835 K CA -0.368 55.932 56.287 0.021 0.000 0.946 835 K CB 0.762 33.282 32.500 0.033 0.000 1.005 835 K HN 0.262 nan 8.250 nan 0.000 0.469 836 S N 2.400 118.107 115.700 0.012 0.000 2.616 836 S HA 0.122 4.590 4.470 -0.003 0.000 0.276 836 S C 0.457 175.062 174.600 0.009 0.000 1.159 836 S CA -0.683 57.517 58.200 -0.001 0.000 1.000 836 S CB 1.100 64.281 63.200 -0.031 0.000 1.117 836 S HN 0.751 nan 8.310 nan 0.000 0.464 837 T N 3.735 118.304 114.554 0.025 0.000 2.665 837 T HA -0.088 4.260 4.350 -0.003 0.000 0.268 837 T C 2.071 176.740 174.700 -0.051 0.000 1.035 837 T CA 1.916 64.034 62.100 0.030 0.000 1.151 837 T CB -0.878 68.016 68.868 0.044 0.000 0.862 837 T HN 0.845 nan 8.240 nan 0.000 0.438 838 G N 1.226 109.985 108.800 -0.069 0.000 2.440 838 G HA2 -0.211 3.747 3.960 -0.003 0.000 0.218 838 G HA3 -0.211 3.747 3.960 -0.003 0.000 0.218 838 G C 1.482 176.318 174.900 -0.107 0.000 1.154 838 G CA 0.696 45.730 45.100 -0.111 0.000 0.767 838 G HN 0.548 nan 8.290 nan 0.000 0.552 839 E N 0.378 120.533 120.200 -0.074 0.000 2.150 839 E HA 0.023 4.371 4.350 -0.003 0.000 0.193 839 E C 2.852 179.404 176.600 -0.081 0.000 0.985 839 E CA 0.595 56.955 56.400 -0.068 0.000 0.814 839 E CB -0.079 29.593 29.700 -0.047 0.000 0.752 839 E HN 0.443 nan 8.360 nan 0.000 0.466 840 A N 0.884 123.660 122.820 -0.073 0.000 1.898 840 A HA -0.105 4.213 4.320 -0.003 0.000 0.214 840 A C 2.108 179.534 177.584 -0.264 0.000 1.183 840 A CA 0.857 52.835 52.037 -0.099 0.000 0.622 840 A CB -0.314 18.728 19.000 0.069 0.000 0.824 840 A HN 0.102 nan 8.150 nan 0.000 0.444 841 M N -0.895 118.537 119.600 -0.280 0.000 2.149 841 M HA -0.174 4.304 4.480 -0.003 0.000 0.261 841 M C 2.139 178.384 176.300 -0.092 0.000 1.064 841 M CA 1.796 56.887 55.300 -0.348 0.000 1.102 841 M CB -0.221 31.993 32.600 -0.643 0.000 1.369 841 M HN 0.556 nan 8.290 nan 0.000 0.408 842 E N 0.231 120.364 120.200 -0.113 0.000 2.076 842 E HA -0.143 4.205 4.350 -0.003 0.000 0.190 842 E C 1.951 178.490 176.600 -0.101 0.000 0.979 842 E CA 0.603 56.966 56.400 -0.062 0.000 0.807 842 E CB 0.069 29.735 29.700 -0.057 0.000 0.761 842 E HN 0.369 nan 8.360 nan 0.000 0.454 843 L N 0.772 121.904 121.223 -0.152 0.000 2.275 843 L HA -0.137 4.201 4.340 -0.003 0.000 0.215 843 L C 1.971 178.663 176.870 -0.296 0.000 1.119 843 L CA 1.040 55.748 54.840 -0.219 0.000 0.790 843 L CB -0.287 41.634 42.059 -0.230 0.000 0.919 843 L HN 0.306 nan 8.230 nan 0.000 0.443 844 M N -0.008 119.407 119.600 -0.308 0.000 2.123 844 M HA -0.149 4.329 4.480 -0.003 0.000 0.263 844 M C 2.052 178.093 176.300 -0.433 0.000 1.069 844 M CA 1.506 56.537 55.300 -0.448 0.000 1.133 844 M CB -0.821 31.460 32.600 -0.532 0.000 1.356 844 M HN 0.375 nan 8.290 nan 0.000 0.415 845 E N -0.824 119.218 120.200 -0.264 0.000 2.358 845 E HA -0.145 4.203 4.350 -0.003 0.000 0.195 845 E C 1.723 178.192 176.600 -0.218 0.000 1.010 845 E CA 0.542 56.705 56.400 -0.394 0.000 0.856 845 E CB -0.304 29.312 29.700 -0.139 0.000 0.795 845 E HN 0.572 nan 8.360 nan 0.000 0.504 846 Q N 0.250 119.956 119.800 -0.157 0.000 2.083 846 Q HA -0.074 4.264 4.340 -0.003 0.000 0.198 846 Q C 2.082 177.999 176.000 -0.138 0.000 0.969 846 Q CA 0.898 56.635 55.803 -0.111 0.000 0.838 846 Q CB 0.050 28.727 28.738 -0.102 0.000 0.900 846 Q HN 0.263 nan 8.270 nan 0.000 0.436 847 L N 0.097 121.190 121.223 -0.216 0.000 2.201 847 L HA -0.071 4.267 4.340 -0.003 0.000 0.212 847 L C 2.107 178.865 176.870 -0.186 0.000 1.105 847 L CA 1.361 56.075 54.840 -0.209 0.000 0.775 847 L CB -0.617 41.272 42.059 -0.283 0.000 0.913 847 L HN 0.106 nan 8.230 nan 0.000 0.440 848 A N -1.315 121.360 122.820 -0.243 0.000 2.119 848 A HA -0.100 4.218 4.320 -0.003 0.000 0.217 848 A C 2.401 179.983 177.584 -0.003 0.000 1.153 848 A CA 1.273 53.215 52.037 -0.158 0.000 0.692 848 A CB -0.543 18.280 19.000 -0.294 0.000 0.799 848 A HN 0.503 nan 8.150 nan 0.000 0.458 849 S N 0.415 116.115 115.700 -0.000 0.000 2.436 849 S HA -0.122 4.346 4.470 -0.003 0.000 0.228 849 S C 1.751 176.366 174.600 0.024 0.000 1.014 849 S CA 1.217 59.449 58.200 0.054 0.000 0.950 849 S CB -0.212 63.023 63.200 0.058 0.000 0.784 849 S HN 0.583 nan 8.310 nan 0.000 0.504 850 K N 1.736 122.133 120.400 -0.005 0.000 2.211 850 K HA 0.089 4.407 4.320 -0.003 0.000 0.203 850 K C 0.504 177.103 176.600 -0.002 0.000 1.050 850 K CA 0.402 56.685 56.287 -0.007 0.000 0.945 850 K CB -0.818 31.671 32.500 -0.019 0.000 0.732 850 K HN 0.452 nan 8.250 nan 0.000 0.451 851 L N 2.776 123.999 121.223 -0.000 0.000 2.482 851 L HA 0.160 4.498 4.340 -0.003 0.000 0.273 851 L C -1.633 175.244 176.870 0.011 0.000 1.228 851 L CA -2.095 52.748 54.840 0.004 0.000 0.827 851 L CB -0.396 41.669 42.059 0.010 0.000 1.099 851 L HN 0.193 nan 8.230 nan 0.000 0.494 852 P HA -0.028 nan 4.420 nan 0.000 0.270 852 P C -0.587 176.718 177.300 0.009 0.000 1.216 852 P CA -0.232 62.871 63.100 0.006 0.000 0.788 852 P CB -0.035 31.666 31.700 0.001 0.000 0.883 853 T N -0.295 114.263 114.554 0.007 0.000 2.930 853 T HA 0.379 4.727 4.350 -0.003 0.000 0.306 853 T C 1.277 175.979 174.700 0.004 0.000 1.045 853 T CA 0.796 62.900 62.100 0.006 0.000 1.134 853 T CB -0.085 68.786 68.868 0.004 0.000 0.961 853 T HN 0.851 nan 8.240 nan 0.000 0.545 854 G N 1.409 110.211 108.800 0.002 0.000 2.147 854 G HA2 -0.198 3.760 3.960 -0.003 0.000 0.244 854 G HA3 -0.198 3.760 3.960 -0.003 0.000 0.244 854 G C 0.048 174.947 174.900 -0.002 0.000 1.005 854 G CA -0.141 44.957 45.100 -0.002 0.000 0.713 854 G HN 0.831 nan 8.290 nan 0.000 0.515 855 V N 1.027 120.944 119.914 0.006 0.000 2.250 855 V HA 0.685 4.803 4.120 -0.003 0.000 0.268 855 V C 1.124 177.234 176.094 0.027 0.000 1.043 855 V CA -0.190 62.118 62.300 0.013 0.000 0.814 855 V CB 0.779 32.613 31.823 0.019 0.000 1.072 855 V HN 0.680 nan 8.190 nan 0.000 0.451 856 G N 2.850 111.646 108.800 -0.008 0.000 2.557 856 G HA2 0.612 4.570 3.960 -0.003 0.000 0.292 856 G HA3 0.612 4.570 3.960 -0.003 0.000 0.292 856 G C -0.947 173.934 174.900 -0.033 0.000 1.237 856 G CA -0.318 44.752 45.100 -0.050 0.000 0.978 856 G HN 0.755 nan 8.290 nan 0.000 0.498 857 Y N -2.243 117.931 120.300 -0.210 0.000 2.644 857 Y HA 0.780 5.328 4.550 -0.003 0.000 0.338 857 Y C -1.280 174.293 175.900 -0.546 0.000 1.119 857 Y CA -1.542 56.277 58.100 -0.469 0.000 1.060 857 Y CB 2.080 40.269 38.460 -0.450 0.000 1.294 857 Y HN 0.541 nan 8.280 nan 0.000 0.472 858 D N -0.264 119.732 120.400 -0.673 0.000 2.639 858 D HA 0.381 5.019 4.640 -0.003 0.000 0.271 858 D C -2.179 173.643 176.300 -0.797 0.000 1.254 858 D CA -0.615 53.038 54.000 -0.578 0.000 0.810 858 D CB 1.778 42.366 40.800 -0.353 0.000 1.351 858 D HN 0.665 nan 8.370 nan 0.000 0.427 859 W N 0.168 121.360 121.300 -0.179 0.000 2.627 859 W HA 0.604 5.262 4.660 -0.004 0.000 0.339 859 W C 0.376 176.802 176.519 -0.155 0.000 1.058 859 W CA -0.535 56.730 57.345 -0.134 0.000 1.223 859 W CB 2.071 31.536 29.460 0.009 0.000 1.389 859 W HN 0.152 nan 8.180 nan 0.000 0.541 860 T N -0.069 114.523 114.554 0.063 0.000 2.812 860 T HA 0.620 4.968 4.350 -0.003 0.000 0.294 860 T C 0.731 175.451 174.700 0.033 0.000 1.159 860 T CA 0.375 62.364 62.100 -0.185 0.000 1.008 860 T CB 0.747 69.345 68.868 -0.450 0.000 1.289 860 T HN 1.178 nan 8.240 nan 0.000 0.514 861 G N 2.243 111.081 108.800 0.064 0.000 2.665 861 G HA2 -0.319 3.639 3.960 -0.003 0.000 0.326 861 G HA3 -0.319 3.639 3.960 -0.003 0.000 0.326 861 G C 1.179 176.124 174.900 0.074 0.000 1.231 861 G CA 1.020 46.190 45.100 0.116 0.000 0.992 861 G HN 0.735 nan 8.290 nan 0.000 0.549 862 M N 1.499 121.110 119.600 0.017 0.000 2.099 862 M HA -0.029 4.449 4.480 -0.003 0.000 0.262 862 M C 2.999 179.186 176.300 -0.189 0.000 1.067 862 M CA 2.688 57.929 55.300 -0.098 0.000 1.124 862 M CB -1.646 30.932 32.600 -0.037 0.000 1.353 862 M HN 0.731 nan 8.290 nan 0.000 0.410 863 S N -0.903 114.761 115.700 -0.061 0.000 2.436 863 S HA -0.132 4.336 4.470 -0.003 0.000 0.228 863 S C 1.938 176.454 174.600 -0.140 0.000 1.014 863 S CA 0.471 58.561 58.200 -0.183 0.000 0.950 863 S CB -1.065 61.974 63.200 -0.268 0.000 0.784 863 S HN 0.482 nan 8.310 nan 0.000 0.504 864 Y N 2.260 122.530 120.300 -0.050 0.000 2.165 864 Y HA -0.201 4.347 4.550 -0.004 0.000 0.286 864 Y C 2.719 178.575 175.900 -0.074 0.000 1.155 864 Y CA 1.975 60.078 58.100 0.005 0.000 1.164 864 Y CB -0.369 38.117 38.460 0.043 0.000 0.978 864 Y HN 0.213 nan 8.280 nan 0.000 0.513 865 Q N 0.819 120.632 119.800 0.021 0.000 2.119 865 Q HA -0.194 4.144 4.340 -0.003 0.000 0.201 865 Q C 2.189 177.908 176.000 -0.468 0.000 0.972 865 Q CA 2.063 57.733 55.803 -0.222 0.000 0.847 865 Q CB -0.295 28.208 28.738 -0.392 0.000 0.903 865 Q HN 0.709 nan 8.270 nan 0.000 0.433 866 E N -0.429 119.439 120.200 -0.555 0.000 2.072 866 E HA -0.206 4.142 4.350 -0.003 0.000 0.191 866 E C 2.042 178.551 176.600 -0.153 0.000 0.985 866 E CA 0.797 57.007 56.400 -0.316 0.000 0.801 866 E CB -0.112 29.437 29.700 -0.251 0.000 0.750 866 E HN 0.212 nan 8.360 nan 0.000 0.452 867 R N 0.508 120.867 120.500 -0.235 0.000 2.091 867 R HA -0.182 4.156 4.340 -0.003 0.000 0.238 867 R C 2.607 178.834 176.300 -0.123 0.000 1.136 867 R CA 1.520 57.507 56.100 -0.188 0.000 0.959 867 R CB -0.460 29.710 30.300 -0.216 0.000 0.856 867 R HN 0.356 nan 8.270 nan 0.000 0.437 868 L N 0.248 121.374 121.223 -0.161 0.000 1.989 868 L HA -0.206 4.132 4.340 -0.003 0.000 0.211 868 L C 2.517 179.405 176.870 0.029 0.000 1.071 868 L CA 2.152 56.946 54.840 -0.077 0.000 0.749 868 L CB -0.543 41.468 42.059 -0.080 0.000 0.890 868 L HN 0.191 nan 8.230 nan 0.000 0.431 869 S N -0.343 115.399 115.700 0.070 0.000 2.368 869 S HA -0.211 4.257 4.470 -0.003 0.000 0.226 869 S C 1.990 176.651 174.600 0.102 0.000 1.044 869 S CA 1.735 60.016 58.200 0.136 0.000 1.062 869 S CB -0.988 62.385 63.200 0.289 0.000 0.931 869 S HN 0.698 nan 8.310 nan 0.000 0.440 870 G N 1.596 110.441 108.800 0.076 0.000 2.433 870 G HA2 -0.216 3.742 3.960 -0.003 0.000 0.216 870 G HA3 -0.216 3.742 3.960 -0.003 0.000 0.216 870 G C 1.454 176.400 174.900 0.076 0.000 1.186 870 G CA 0.987 46.131 45.100 0.072 0.000 0.779 870 G HN 0.582 nan 8.290 nan 0.000 0.543 871 N N 0.513 119.245 118.700 0.054 0.000 2.223 871 N HA -0.063 4.675 4.740 -0.003 0.000 0.185 871 N C 2.294 177.858 175.510 0.089 0.000 1.016 871 N CA 0.822 53.910 53.050 0.063 0.000 0.863 871 N CB -0.339 38.171 38.487 0.038 0.000 0.983 871 N HN 0.471 nan 8.380 nan 0.000 0.429 872 Q N 0.222 120.085 119.800 0.105 0.000 2.167 872 Q HA 0.069 4.407 4.340 -0.003 0.000 0.202 872 Q C 2.041 178.056 176.000 0.024 0.000 0.970 872 Q CA 1.049 56.951 55.803 0.165 0.000 0.855 872 Q CB -0.101 28.783 28.738 0.242 0.000 0.911 872 Q HN 0.388 nan 8.270 nan 0.000 0.438 873 A N 2.110 124.900 122.820 -0.050 0.000 1.884 873 A HA -0.192 4.126 4.320 -0.003 0.000 0.219 873 A C -0.382 177.039 177.584 -0.273 0.000 1.197 873 A CA 1.702 53.587 52.037 -0.253 0.000 0.637 873 A CB -1.714 17.280 19.000 -0.011 0.000 0.827 873 A HN 0.291 nan 8.150 nan 0.000 0.450 874 P HA -0.152 nan 4.420 nan 0.000 0.215 874 P C 1.583 178.914 177.300 0.052 0.000 1.157 874 P CA 2.022 65.193 63.100 0.118 0.000 0.874 874 P CB -0.366 31.401 31.700 0.113 0.000 0.790 875 S N 0.025 115.760 115.700 0.058 0.000 2.382 875 S HA -0.110 4.358 4.470 -0.003 0.000 0.228 875 S C 1.996 176.651 174.600 0.093 0.000 1.027 875 S CA 0.729 59.008 58.200 0.132 0.000 0.991 875 S CB -1.145 62.215 63.200 0.266 0.000 0.823 875 S HN 0.111 nan 8.310 nan 0.000 0.469 876 L N 0.180 121.272 121.223 -0.218 0.000 1.994 876 L HA -0.189 4.149 4.340 -0.003 0.000 0.208 876 L C 2.148 178.816 176.870 -0.337 0.000 1.071 876 L CA 1.795 56.297 54.840 -0.564 0.000 0.745 876 L CB -0.440 40.969 42.059 -1.083 0.000 0.892 876 L HN 0.388 nan 8.230 nan 0.000 0.431 877 Y N -0.403 119.817 120.300 -0.132 0.000 2.145 877 Y HA -0.264 4.284 4.550 -0.004 0.000 0.286 877 Y C 2.688 178.541 175.900 -0.079 0.000 1.145 877 Y CA 0.837 58.866 58.100 -0.119 0.000 1.148 877 Y CB -0.794 37.599 38.460 -0.111 0.000 0.981 877 Y HN 0.306 nan 8.280 nan 0.000 0.507 878 A N 0.764 123.642 122.820 0.097 0.000 1.873 878 A HA -0.228 4.090 4.320 -0.003 0.000 0.218 878 A C 2.173 179.777 177.584 0.034 0.000 1.193 878 A CA 2.278 54.345 52.037 0.050 0.000 0.629 878 A CB -1.150 17.880 19.000 0.050 0.000 0.826 878 A HN 0.530 nan 8.150 nan 0.000 0.447 879 I N -0.579 120.025 120.570 0.056 0.000 2.439 879 I HA -0.151 4.017 4.170 -0.003 0.000 0.251 879 I C 2.580 178.721 176.117 0.040 0.000 1.139 879 I CA 1.084 62.424 61.300 0.066 0.000 1.438 879 I CB -0.202 37.880 38.000 0.136 0.000 1.085 879 I HN 0.204 nan 8.210 nan 0.000 0.427 880 S N 1.041 116.747 115.700 0.010 0.000 2.356 880 S HA -0.097 4.371 4.470 -0.003 0.000 0.223 880 S C 2.015 176.594 174.600 -0.035 0.000 1.032 880 S CA 1.276 59.454 58.200 -0.037 0.000 1.005 880 S CB -0.324 62.819 63.200 -0.094 0.000 0.867 880 S HN 0.322 nan 8.310 nan 0.000 0.449 881 L N 0.920 122.133 121.223 -0.018 0.000 2.046 881 L HA -0.081 4.256 4.340 -0.003 0.000 0.208 881 L C 2.200 179.068 176.870 -0.002 0.000 1.077 881 L CA 1.057 55.885 54.840 -0.019 0.000 0.747 881 L CB -0.561 41.484 42.059 -0.023 0.000 0.896 881 L HN 0.284 nan 8.230 nan 0.000 0.432 882 I N -1.030 119.532 120.570 -0.014 0.000 2.163 882 I HA -0.289 3.878 4.170 -0.003 0.000 0.243 882 I C 2.465 178.604 176.117 0.036 0.000 1.085 882 I CA 1.133 62.421 61.300 -0.020 0.000 1.347 882 I CB -0.283 37.702 38.000 -0.026 0.000 1.044 882 I HN 0.006 nan 8.210 nan 0.000 0.408 883 V N 0.404 120.335 119.914 0.028 0.000 2.233 883 V HA -0.274 3.844 4.120 -0.003 0.000 0.247 883 V C 2.458 178.564 176.094 0.020 0.000 1.050 883 V CA 1.833 64.151 62.300 0.030 0.000 1.010 883 V CB -0.446 31.392 31.823 0.025 0.000 0.637 883 V HN 0.222 nan 8.190 nan 0.000 0.444 884 V N -0.514 119.399 119.914 -0.002 0.000 2.250 884 V HA -0.359 3.759 4.120 -0.003 0.000 0.250 884 V C 2.143 178.224 176.094 -0.021 0.000 1.060 884 V CA 2.774 65.060 62.300 -0.024 0.000 1.030 884 V CB -0.824 30.971 31.823 -0.046 0.000 0.643 884 V HN 0.569 nan 8.190 nan 0.000 0.445 885 F N -0.200 119.659 119.950 -0.151 0.000 2.063 885 F HA -0.256 4.269 4.527 -0.003 0.000 0.298 885 F C 2.207 177.867 175.800 -0.234 0.000 1.109 885 F CA 1.842 59.702 58.000 -0.234 0.000 1.212 885 F CB -0.215 38.614 39.000 -0.285 0.000 0.973 885 F HN 0.014 nan 8.300 nan 0.000 0.480 886 L N -0.335 120.951 121.223 0.105 0.000 2.083 886 L HA -0.267 4.071 4.340 -0.003 0.000 0.209 886 L C 2.619 179.461 176.870 -0.048 0.000 1.083 886 L CA 1.429 56.292 54.840 0.039 0.000 0.752 886 L CB -1.887 40.221 42.059 0.081 0.000 0.899 886 L HN 0.401 nan 8.230 nan 0.000 0.433 887 C N -0.575 118.693 119.300 -0.053 0.000 2.453 887 C HA -0.148 4.310 4.460 -0.003 0.000 0.277 887 C C 2.870 177.794 174.990 -0.110 0.000 1.262 887 C CA 0.224 59.202 59.018 -0.066 0.000 1.718 887 C CB -0.842 26.869 27.740 -0.049 0.000 2.031 887 C HN 0.425 nan 8.230 nan 0.000 0.480 888 L N 1.150 122.288 121.223 -0.141 0.000 2.056 888 L HA -0.124 4.214 4.340 -0.003 0.000 0.207 888 L C 2.887 179.670 176.870 -0.146 0.000 1.078 888 L CA 1.548 56.327 54.840 -0.103 0.000 0.749 888 L CB -0.753 41.214 42.059 -0.153 0.000 0.901 888 L HN 0.328 nan 8.230 nan 0.000 0.433 889 A N 0.062 122.695 122.820 -0.312 0.000 1.883 889 A HA -0.208 4.110 4.320 -0.003 0.000 0.217 889 A C 2.522 180.073 177.584 -0.055 0.000 1.186 889 A CA 1.916 53.805 52.037 -0.247 0.000 0.624 889 A CB -0.783 18.006 19.000 -0.353 0.000 0.822 889 A HN 0.404 nan 8.150 nan 0.000 0.444 890 A N -0.928 121.858 122.820 -0.056 0.000 1.898 890 A HA 0.052 4.370 4.320 -0.003 0.000 0.216 890 A C 2.158 179.692 177.584 -0.082 0.000 1.181 890 A CA 1.697 53.717 52.037 -0.029 0.000 0.620 890 A CB -0.552 18.433 19.000 -0.024 0.000 0.819 890 A HN 0.549 nan 8.150 nan 0.000 0.442 891 L N -1.447 119.670 121.223 -0.177 0.000 1.993 891 L HA 0.056 4.393 4.340 -0.003 0.000 0.206 891 L C 0.261 176.900 176.870 -0.385 0.000 1.074 891 L CA 1.256 55.887 54.840 -0.348 0.000 0.746 891 L CB -0.511 41.206 42.059 -0.570 0.000 0.896 891 L HN 0.422 nan 8.230 nan 0.000 0.435 892 Y N 0.259 120.528 120.300 -0.053 0.000 2.477 892 Y HA 0.178 4.726 4.550 -0.003 0.000 0.349 892 Y C 1.321 177.204 175.900 -0.028 0.000 0.977 892 Y CA -0.358 57.718 58.100 -0.040 0.000 1.214 892 Y CB 0.522 38.948 38.460 -0.057 0.000 1.124 892 Y HN 0.150 nan 8.280 nan 0.000 0.521 893 E N 1.490 121.763 120.200 0.121 0.000 2.393 893 E HA -0.158 4.190 4.350 -0.003 0.000 0.201 893 E C 0.703 177.398 176.600 0.159 0.000 1.025 893 E CA 0.525 56.995 56.400 0.116 0.000 0.856 893 E CB 0.065 29.829 29.700 0.108 0.000 0.771 893 E HN 0.436 nan 8.360 nan 0.000 0.526 894 S N -0.581 115.195 115.700 0.127 0.000 2.564 894 S HA -0.009 4.459 4.470 -0.003 0.000 0.278 894 S C 0.363 174.919 174.600 -0.074 0.000 1.333 894 S CA -0.523 57.702 58.200 0.041 0.000 1.048 894 S CB 0.209 63.367 63.200 -0.070 0.000 0.900 894 S HN 0.537 nan 8.310 nan 0.000 0.505 895 W N 3.661 124.726 121.300 -0.390 0.000 3.003 895 W HA 0.025 4.683 4.660 -0.003 0.000 0.257 895 W C 1.368 177.619 176.519 -0.445 0.000 1.308 895 W CA 0.846 58.012 57.345 -0.298 0.000 1.529 895 W CB -0.035 29.487 29.460 0.104 0.000 1.115 895 W HN 0.910 nan 8.180 nan 0.000 0.659 896 S N -0.965 114.346 115.700 -0.647 0.000 2.506 896 S HA -0.007 4.461 4.470 -0.003 0.000 0.219 896 S C 1.578 176.045 174.600 -0.222 0.000 1.031 896 S CA -0.052 57.966 58.200 -0.304 0.000 0.911 896 S CB -0.507 62.400 63.200 -0.487 0.000 0.812 896 S HN -0.054 nan 8.310 nan 0.000 0.497 897 I N 3.482 123.881 120.570 -0.284 0.000 2.118 897 I HA -0.048 4.120 4.170 -0.003 0.000 0.241 897 I C -0.689 175.298 176.117 -0.218 0.000 1.070 897 I CA 0.915 62.124 61.300 -0.152 0.000 1.327 897 I CB -2.550 35.372 38.000 -0.129 0.000 1.034 897 I HN 0.227 nan 8.210 nan 0.000 0.405 898 P HA -0.176 nan 4.420 nan 0.000 0.214 898 P C 2.122 179.210 177.300 -0.354 0.000 1.163 898 P CA 1.464 64.192 63.100 -0.620 0.000 0.883 898 P CB -0.219 30.582 31.700 -1.497 0.000 0.788 899 F N 0.622 120.434 119.950 -0.230 0.000 2.085 899 F HA -0.326 4.199 4.527 -0.003 0.000 0.299 899 F C 2.649 178.398 175.800 -0.085 0.000 1.096 899 F CA 1.906 59.888 58.000 -0.031 0.000 1.227 899 F CB -1.089 37.893 39.000 -0.030 0.000 0.983 899 F HN 0.023 nan 8.300 nan 0.000 0.482 900 S N -0.248 115.520 115.700 0.114 0.000 2.343 900 S HA -0.206 4.262 4.470 -0.003 0.000 0.219 900 S C 2.027 176.638 174.600 0.017 0.000 1.033 900 S CA 1.197 59.445 58.200 0.080 0.000 1.014 900 S CB -1.169 62.153 63.200 0.202 0.000 0.915 900 S HN 0.271 nan 8.310 nan 0.000 0.435 901 V N 1.717 121.640 119.914 0.015 0.000 2.594 901 V HA -0.097 4.021 4.120 -0.003 0.000 0.253 901 V C 2.309 178.381 176.094 -0.035 0.000 1.069 901 V CA 1.924 64.222 62.300 -0.004 0.000 1.082 901 V CB -0.743 31.054 31.823 -0.042 0.000 0.680 901 V HN 0.479 nan 8.190 nan 0.000 0.469 902 M N -0.534 119.042 119.600 -0.040 0.000 2.229 902 M HA -0.060 4.418 4.480 -0.003 0.000 0.264 902 M C 2.035 178.290 176.300 -0.075 0.000 1.063 902 M CA 1.722 57.012 55.300 -0.017 0.000 1.114 902 M CB -0.905 31.747 32.600 0.086 0.000 1.387 902 M HN 0.360 nan 8.290 nan 0.000 0.420 903 L N -0.424 120.672 121.223 -0.211 0.000 2.622 903 L HA -0.076 4.262 4.340 -0.003 0.000 0.233 903 L C 1.825 178.460 176.870 -0.392 0.000 1.156 903 L CA 0.019 54.589 54.840 -0.450 0.000 0.866 903 L CB -0.391 41.015 42.059 -1.088 0.000 0.980 903 L HN 0.032 nan 8.230 nan 0.000 0.448 904 V N -2.158 117.679 119.914 -0.130 0.000 3.608 904 V HA -0.044 4.074 4.120 -0.003 0.000 0.269 904 V C 2.180 178.309 176.094 0.058 0.000 1.245 904 V CA 0.311 62.670 62.300 0.098 0.000 1.138 904 V CB 0.430 32.344 31.823 0.152 0.000 0.841 904 V HN 0.168 nan 8.190 nan 0.000 0.451 905 V N 1.155 121.069 119.914 0.001 0.000 2.255 905 V HA -0.146 3.972 4.120 -0.003 0.000 0.247 905 V C 0.131 176.211 176.094 -0.022 0.000 1.051 905 V CA 2.525 64.808 62.300 -0.028 0.000 1.018 905 V CB -1.612 30.177 31.823 -0.058 0.000 0.641 905 V HN 0.524 nan 8.190 nan 0.000 0.445 906 P HA -0.079 nan 4.420 nan 0.000 0.225 906 P C 1.575 178.870 177.300 -0.008 0.000 1.148 906 P CA 0.940 64.019 63.100 -0.035 0.000 0.779 906 P CB -0.059 31.594 31.700 -0.079 0.000 0.780 907 L N -1.253 119.996 121.223 0.043 0.000 2.217 907 L HA 0.015 4.353 4.340 -0.003 0.000 0.211 907 L C 2.437 179.324 176.870 0.028 0.000 1.107 907 L CA 1.960 56.822 54.840 0.037 0.000 0.783 907 L CB -1.483 40.631 42.059 0.093 0.000 0.919 907 L HN 0.025 nan 8.230 nan 0.000 0.442 908 G N -1.583 107.226 108.800 0.014 0.000 2.441 908 G HA2 -0.057 3.901 3.960 -0.003 0.000 0.212 908 G HA3 -0.057 3.901 3.960 -0.003 0.000 0.212 908 G C 1.535 176.432 174.900 -0.004 0.000 1.164 908 G CA 0.592 45.693 45.100 0.001 0.000 0.811 908 G HN 0.155 nan 8.290 nan 0.000 0.535 909 V N 1.263 121.162 119.914 -0.024 0.000 2.392 909 V HA -0.176 3.942 4.120 -0.003 0.000 0.249 909 V C 2.603 178.721 176.094 0.041 0.000 1.059 909 V CA 1.543 63.831 62.300 -0.019 0.000 1.051 909 V CB -0.420 31.366 31.823 -0.061 0.000 0.658 909 V HN 0.362 nan 8.190 nan 0.000 0.455 910 I N 1.262 121.847 120.570 0.026 0.000 2.335 910 I HA -0.169 3.999 4.170 -0.003 0.000 0.251 910 I C 2.187 178.340 176.117 0.059 0.000 1.129 910 I CA 1.814 63.138 61.300 0.040 0.000 1.402 910 I CB -0.589 37.416 38.000 0.008 0.000 1.069 910 I HN 0.242 nan 8.210 nan 0.000 0.424 911 G N -0.509 108.326 108.800 0.057 0.000 2.396 911 G HA2 -0.137 3.821 3.960 -0.003 0.000 0.214 911 G HA3 -0.137 3.821 3.960 -0.003 0.000 0.214 911 G C 1.748 176.714 174.900 0.110 0.000 1.166 911 G CA 0.528 45.669 45.100 0.068 0.000 0.793 911 G HN 0.544 nan 8.290 nan 0.000 0.533 912 A N 0.635 123.536 122.820 0.134 0.000 1.902 912 A HA 0.076 4.394 4.320 -0.003 0.000 0.217 912 A C 2.417 180.232 177.584 0.385 0.000 1.181 912 A CA 1.274 53.461 52.037 0.249 0.000 0.623 912 A CB -0.398 18.671 19.000 0.114 0.000 0.818 912 A HN 0.349 nan 8.150 nan 0.000 0.443 913 L N -1.210 120.188 121.223 0.291 0.000 2.056 913 L HA -0.143 4.195 4.340 -0.003 0.000 0.207 913 L C 2.437 179.370 176.870 0.106 0.000 1.078 913 L CA 0.495 55.455 54.840 0.199 0.000 0.749 913 L CB -0.516 41.646 42.059 0.171 0.000 0.901 913 L HN 0.266 nan 8.230 nan 0.000 0.433 914 L N 0.107 121.389 121.223 0.100 0.000 1.989 914 L HA -0.214 4.124 4.340 -0.003 0.000 0.211 914 L C 2.788 179.717 176.870 0.098 0.000 1.071 914 L CA 2.223 57.102 54.840 0.066 0.000 0.749 914 L CB -1.312 40.750 42.059 0.006 0.000 0.890 914 L HN 0.210 nan 8.230 nan 0.000 0.431 915 A N -1.049 121.836 122.820 0.108 0.000 1.883 915 A HA -0.171 4.146 4.320 -0.003 0.000 0.217 915 A C 2.437 180.089 177.584 0.112 0.000 1.186 915 A CA 2.128 54.238 52.037 0.122 0.000 0.624 915 A CB -0.993 18.087 19.000 0.132 0.000 0.822 915 A HN 0.440 nan 8.150 nan 0.000 0.444 916 A N -1.308 121.550 122.820 0.064 0.000 1.897 916 A HA -0.027 4.291 4.320 -0.003 0.000 0.215 916 A C 2.298 179.843 177.584 -0.065 0.000 1.181 916 A CA 2.157 54.149 52.037 -0.075 0.000 0.620 916 A CB -1.180 17.581 19.000 -0.398 0.000 0.821 916 A HN 0.426 nan 8.150 nan 0.000 0.443 917 T N -1.067 113.475 114.554 -0.019 0.000 2.821 917 T HA -0.073 4.275 4.350 -0.003 0.000 0.267 917 T C 1.505 176.264 174.700 0.098 0.000 1.046 917 T CA 1.405 63.513 62.100 0.014 0.000 1.139 917 T CB -0.327 68.570 68.868 0.048 0.000 0.871 917 T HN 0.370 nan 8.240 nan 0.000 0.454 918 F N 1.217 121.152 119.950 -0.024 0.000 2.456 918 F HA 0.252 4.778 4.527 -0.003 0.000 0.298 918 F C 1.552 177.347 175.800 -0.008 0.000 1.104 918 F CA 0.237 58.233 58.000 -0.007 0.000 1.435 918 F CB 0.076 39.082 39.000 0.010 0.000 1.078 918 F HN -0.123 nan 8.300 nan 0.000 0.546 919 R N -0.968 119.595 120.500 0.105 0.000 2.541 919 R HA 0.320 4.658 4.340 -0.003 0.000 0.263 919 R C 0.979 177.264 176.300 -0.024 0.000 1.112 919 R CA 0.225 56.343 56.100 0.029 0.000 1.170 919 R CB 0.359 30.686 30.300 0.044 0.000 1.167 919 R HN 0.108 nan 8.270 nan 0.000 0.582 920 G N 1.309 110.094 108.800 -0.026 0.000 3.374 920 G HA2 0.152 4.110 3.960 -0.003 0.000 0.252 920 G HA3 0.152 4.110 3.960 -0.003 0.000 0.252 920 G C 0.174 175.053 174.900 -0.035 0.000 1.326 920 G CA 0.001 45.080 45.100 -0.035 0.000 1.133 920 G HN 0.202 nan 8.290 nan 0.000 0.528 921 L N -0.888 120.304 121.223 -0.051 0.000 2.376 921 L HA 0.763 5.101 4.340 -0.003 0.000 0.267 921 L C 0.414 177.196 176.870 -0.147 0.000 1.035 921 L CA -0.692 54.106 54.840 -0.070 0.000 0.800 921 L CB 2.373 44.402 42.059 -0.051 0.000 1.290 921 L HN 0.080 nan 8.230 nan 0.000 0.462 922 T N -1.412 113.038 114.554 -0.174 0.000 2.883 922 T HA 0.213 4.561 4.350 -0.003 0.000 0.301 922 T C -0.462 174.057 174.700 -0.302 0.000 1.158 922 T CA -0.696 61.274 62.100 -0.216 0.000 1.007 922 T CB 1.372 70.179 68.868 -0.102 0.000 1.186 922 T HN 0.505 nan 8.240 nan 0.000 0.499 923 N N 3.103 121.613 118.700 -0.317 0.000 3.193 923 N HA 0.093 4.830 4.740 -0.003 0.000 0.312 923 N C -0.234 175.283 175.510 0.011 0.000 1.261 923 N CA -0.051 52.885 53.050 -0.190 0.000 1.208 923 N CB -0.486 37.867 38.487 -0.222 0.000 1.471 923 N HN 0.717 nan 8.380 nan 0.000 0.548 924 D N -2.045 118.385 120.400 0.050 0.000 2.469 924 D HA 0.037 4.675 4.640 -0.003 0.000 0.278 924 D C 1.582 177.896 176.300 0.025 0.000 1.231 924 D CA -0.698 53.317 54.000 0.026 0.000 1.075 924 D CB 0.277 41.079 40.800 0.003 0.000 1.121 924 D HN -0.140 nan 8.370 nan 0.000 0.571 925 V N -1.044 118.754 119.914 -0.193 0.000 2.343 925 V HA -0.273 3.845 4.120 -0.003 0.000 0.247 925 V C 2.086 178.124 176.094 -0.094 0.000 1.051 925 V CA 1.590 63.747 62.300 -0.238 0.000 1.036 925 V CB -1.063 30.388 31.823 -0.621 0.000 0.654 925 V HN 0.512 nan 8.190 nan 0.000 0.451 926 Y N -1.579 118.743 120.300 0.037 0.000 2.224 926 Y HA -0.260 4.288 4.550 -0.004 0.000 0.289 926 Y C 2.307 178.231 175.900 0.040 0.000 1.146 926 Y CA 1.820 59.933 58.100 0.021 0.000 1.182 926 Y CB -0.396 38.081 38.460 0.029 0.000 0.983 926 Y HN 0.254 nan 8.280 nan 0.000 0.524 927 F N 1.311 121.325 119.950 0.106 0.000 2.171 927 F HA -0.245 4.280 4.527 -0.003 0.000 0.300 927 F C 2.166 178.010 175.800 0.072 0.000 1.090 927 F CA 1.567 59.605 58.000 0.063 0.000 1.293 927 F CB -0.446 38.573 39.000 0.033 0.000 1.013 927 F HN 0.052 nan 8.300 nan 0.000 0.486 928 Q N -0.609 119.262 119.800 0.118 0.000 2.124 928 Q HA -0.162 4.176 4.340 -0.003 0.000 0.202 928 Q C 2.296 178.276 176.000 -0.034 0.000 0.977 928 Q CA 1.768 57.630 55.803 0.098 0.000 0.850 928 Q CB -0.397 28.442 28.738 0.169 0.000 0.901 928 Q HN 0.333 nan 8.270 nan 0.000 0.429 929 V N 0.429 120.301 119.914 -0.070 0.000 2.307 929 V HA -0.191 3.927 4.120 -0.003 0.000 0.245 929 V C 2.265 178.281 176.094 -0.129 0.000 1.045 929 V CA 1.960 64.157 62.300 -0.172 0.000 1.024 929 V CB -1.219 30.357 31.823 -0.412 0.000 0.651 929 V HN 0.533 nan 8.190 nan 0.000 0.449 930 G N -0.174 108.534 108.800 -0.153 0.000 2.469 930 G HA2 -0.239 3.719 3.960 -0.003 0.000 0.219 930 G HA3 -0.239 3.719 3.960 -0.003 0.000 0.219 930 G C 1.599 176.368 174.900 -0.219 0.000 1.150 930 G CA 1.046 46.052 45.100 -0.157 0.000 0.763 930 G HN 0.458 nan 8.290 nan 0.000 0.561 931 L N -0.211 120.808 121.223 -0.341 0.000 2.093 931 L HA 0.023 4.361 4.340 -0.003 0.000 0.208 931 L C 2.887 179.654 176.870 -0.171 0.000 1.085 931 L CA 0.527 55.184 54.840 -0.305 0.000 0.755 931 L CB -0.318 41.532 42.059 -0.348 0.000 0.904 931 L HN 0.211 nan 8.230 nan 0.000 0.435 932 L N -1.021 120.132 121.223 -0.117 0.000 2.141 932 L HA -0.150 4.188 4.340 -0.003 0.000 0.209 932 L C 2.546 179.253 176.870 -0.271 0.000 1.094 932 L CA 1.160 55.883 54.840 -0.194 0.000 0.763 932 L CB -0.790 41.119 42.059 -0.250 0.000 0.908 932 L HN 0.264 nan 8.230 nan 0.000 0.437 933 T N -1.361 113.154 114.554 -0.066 0.000 2.737 933 T HA -0.153 4.195 4.350 -0.003 0.000 0.265 933 T C 1.928 176.580 174.700 -0.081 0.000 1.038 933 T CA 1.777 63.926 62.100 0.081 0.000 1.144 933 T CB -0.303 68.694 68.868 0.215 0.000 0.866 933 T HN 0.295 nan 8.240 nan 0.000 0.434 934 T N 2.530 117.018 114.554 -0.110 0.000 2.665 934 T HA -0.081 4.267 4.350 -0.003 0.000 0.268 934 T C 1.973 176.590 174.700 -0.138 0.000 1.035 934 T CA 1.234 63.256 62.100 -0.129 0.000 1.151 934 T CB -0.592 68.202 68.868 -0.123 0.000 0.862 934 T HN 0.327 nan 8.240 nan 0.000 0.438 935 I N 1.189 121.667 120.570 -0.153 0.000 2.151 935 I HA -0.203 3.965 4.170 -0.003 0.000 0.243 935 I C 2.896 178.924 176.117 -0.148 0.000 1.080 935 I CA 1.584 62.796 61.300 -0.146 0.000 1.339 935 I CB -0.803 37.100 38.000 -0.161 0.000 1.039 935 I HN 0.338 nan 8.210 nan 0.000 0.409 936 G N 0.718 109.405 108.800 -0.189 0.000 2.422 936 G HA2 -0.148 3.810 3.960 -0.003 0.000 0.218 936 G HA3 -0.148 3.810 3.960 -0.003 0.000 0.218 936 G C 1.666 176.492 174.900 -0.123 0.000 1.146 936 G CA 0.528 45.533 45.100 -0.159 0.000 0.769 936 G HN 0.259 nan 8.290 nan 0.000 0.547 937 L N 1.328 122.457 121.223 -0.158 0.000 1.973 937 L HA -0.077 4.261 4.340 -0.003 0.000 0.208 937 L C 3.276 180.073 176.870 -0.123 0.000 1.073 937 L CA 1.612 56.336 54.840 -0.193 0.000 0.746 937 L CB -0.793 41.087 42.059 -0.299 0.000 0.891 937 L HN 0.368 nan 8.230 nan 0.000 0.433 938 S N 0.098 115.740 115.700 -0.095 0.000 2.469 938 S HA -0.112 4.356 4.470 -0.003 0.000 0.238 938 S C 1.936 176.517 174.600 -0.032 0.000 0.998 938 S CA 0.809 58.981 58.200 -0.046 0.000 0.957 938 S CB -0.396 62.789 63.200 -0.026 0.000 0.764 938 S HN 0.383 nan 8.310 nan 0.000 0.514 939 A N 2.358 125.147 122.820 -0.053 0.000 1.903 939 A HA 0.112 4.430 4.320 -0.003 0.000 0.213 939 A C 2.179 179.740 177.584 -0.038 0.000 1.185 939 A CA 1.166 53.177 52.037 -0.043 0.000 0.628 939 A CB -0.535 18.432 19.000 -0.055 0.000 0.830 939 A HN 0.480 nan 8.150 nan 0.000 0.446 940 K N -0.143 120.229 120.400 -0.047 0.000 2.097 940 K HA -0.192 4.126 4.320 -0.003 0.000 0.206 940 K C 1.480 178.053 176.600 -0.044 0.000 1.049 940 K CA 1.622 57.887 56.287 -0.037 0.000 0.933 940 K CB -0.271 32.201 32.500 -0.046 0.000 0.717 940 K HN 0.340 nan 8.250 nan 0.000 0.442 941 N N 0.969 119.638 118.700 -0.052 0.000 2.120 941 N HA -0.112 4.626 4.740 -0.003 0.000 0.188 941 N C 1.622 177.098 175.510 -0.056 0.000 1.024 941 N CA 1.486 54.503 53.050 -0.055 0.000 0.852 941 N CB -0.355 38.108 38.487 -0.040 0.000 1.003 941 N HN 0.321 nan 8.380 nan 0.000 0.424 942 A N 0.494 123.294 122.820 -0.034 0.000 1.969 942 A HA 0.001 4.319 4.320 -0.003 0.000 0.218 942 A C 2.285 179.826 177.584 -0.072 0.000 1.169 942 A CA 0.657 52.677 52.037 -0.028 0.000 0.635 942 A CB -0.507 18.503 19.000 0.018 0.000 0.810 942 A HN 0.228 nan 8.150 nan 0.000 0.445 943 I N -0.480 120.049 120.570 -0.068 0.000 2.179 943 I HA -0.264 3.904 4.170 -0.003 0.000 0.242 943 I C 2.321 178.403 176.117 -0.059 0.000 1.088 943 I CA 1.085 62.334 61.300 -0.086 0.000 1.357 943 I CB -0.327 37.665 38.000 -0.014 0.000 1.051 943 I HN 0.286 nan 8.210 nan 0.000 0.409 944 L N 0.306 121.494 121.223 -0.059 0.000 2.043 944 L HA -0.270 4.068 4.340 -0.003 0.000 0.212 944 L C 2.410 179.156 176.870 -0.208 0.000 1.075 944 L CA 1.678 56.443 54.840 -0.125 0.000 0.752 944 L CB -0.444 41.497 42.059 -0.198 0.000 0.891 944 L HN 0.230 nan 8.230 nan 0.000 0.432 945 I N -1.653 118.805 120.570 -0.187 0.000 2.206 945 I HA -0.211 3.957 4.170 -0.003 0.000 0.239 945 I C 2.381 178.347 176.117 -0.253 0.000 1.078 945 I CA 0.830 61.999 61.300 -0.218 0.000 1.367 945 I CB -0.289 37.591 38.000 -0.200 0.000 1.078 945 I HN -0.063 nan 8.210 nan 0.000 0.413 946 V N 1.160 120.899 119.914 -0.293 0.000 2.295 946 V HA -0.288 3.830 4.120 -0.003 0.000 0.246 946 V C 2.548 178.408 176.094 -0.391 0.000 1.049 946 V CA 2.303 64.317 62.300 -0.477 0.000 1.024 946 V CB -0.725 30.931 31.823 -0.278 0.000 0.648 946 V HN 0.504 nan 8.190 nan 0.000 0.447 947 E N 0.434 120.478 120.200 -0.260 0.000 2.085 947 E HA -0.235 4.112 4.350 -0.003 0.000 0.194 947 E C 1.852 178.397 176.600 -0.092 0.000 0.994 947 E CA 1.909 58.168 56.400 -0.234 0.000 0.801 947 E CB -0.462 29.133 29.700 -0.175 0.000 0.743 947 E HN 0.509 nan 8.360 nan 0.000 0.453 948 F N 0.519 120.349 119.950 -0.201 0.000 2.206 948 F HA 0.128 4.653 4.527 -0.003 0.000 0.298 948 F C 2.400 178.102 175.800 -0.164 0.000 1.090 948 F CA 1.072 58.986 58.000 -0.143 0.000 1.323 948 F CB -0.826 38.099 39.000 -0.125 0.000 1.028 948 F HN 0.192 nan 8.300 nan 0.000 0.492 949 A N -0.255 122.508 122.820 -0.095 0.000 1.969 949 A HA -0.190 4.128 4.320 -0.003 0.000 0.218 949 A C 2.143 179.664 177.584 -0.106 0.000 1.169 949 A CA 1.774 53.686 52.037 -0.208 0.000 0.635 949 A CB -0.554 18.100 19.000 -0.576 0.000 0.810 949 A HN 0.284 nan 8.150 nan 0.000 0.445 950 K N 0.349 120.687 120.400 -0.104 0.000 2.062 950 K HA -0.115 4.203 4.320 -0.003 0.000 0.205 950 K C 1.156 177.781 176.600 0.042 0.000 1.051 950 K CA 1.830 58.157 56.287 0.067 0.000 0.941 950 K CB -0.248 32.286 32.500 0.056 0.000 0.719 950 K HN 0.315 nan 8.250 nan 0.000 0.440 951 D N 0.465 120.853 120.400 -0.019 0.000 2.144 951 D HA -0.102 4.536 4.640 -0.003 0.000 0.200 951 D C 1.897 178.192 176.300 -0.008 0.000 0.978 951 D CA 1.051 55.035 54.000 -0.027 0.000 0.833 951 D CB -0.057 40.684 40.800 -0.099 0.000 0.961 951 D HN 0.220 nan 8.370 nan 0.000 0.470 952 L N -0.006 121.216 121.223 -0.002 0.000 2.141 952 L HA -0.077 4.261 4.340 -0.003 0.000 0.209 952 L C 2.506 179.398 176.870 0.037 0.000 1.094 952 L CA 0.690 55.540 54.840 0.017 0.000 0.763 952 L CB -0.202 41.870 42.059 0.022 0.000 0.908 952 L HN 0.009 nan 8.230 nan 0.000 0.437 953 M N -0.728 118.908 119.600 0.060 0.000 2.200 953 M HA -0.160 4.317 4.480 -0.003 0.000 0.265 953 M C 1.266 177.608 176.300 0.070 0.000 1.066 953 M CA 1.682 57.033 55.300 0.085 0.000 1.127 953 M CB 0.106 32.796 32.600 0.150 0.000 1.379 953 M HN 0.163 nan 8.290 nan 0.000 0.420 954 D N -0.509 119.929 120.400 0.062 0.000 2.468 954 D HA -0.006 4.632 4.640 -0.003 0.000 0.243 954 D C 1.635 177.956 176.300 0.035 0.000 0.994 954 D CA 0.999 55.032 54.000 0.055 0.000 0.932 954 D CB -0.009 40.830 40.800 0.065 0.000 1.078 954 D HN 0.169 nan 8.370 nan 0.000 0.473 955 K N 0.412 120.827 120.400 0.024 0.000 2.305 955 K HA 0.053 4.371 4.320 -0.003 0.000 0.199 955 K C 1.280 177.887 176.600 0.011 0.000 1.047 955 K CA 0.676 56.971 56.287 0.013 0.000 0.976 955 K CB 0.446 32.947 32.500 0.002 0.000 0.765 955 K HN 0.135 nan 8.250 nan 0.000 0.474 956 E N -0.525 119.684 120.200 0.015 0.000 2.340 956 E HA 0.032 4.380 4.350 -0.003 0.000 0.198 956 E C 0.752 177.363 176.600 0.019 0.000 0.961 956 E CA 0.460 56.869 56.400 0.015 0.000 0.905 956 E CB 0.760 30.469 29.700 0.015 0.000 0.884 956 E HN 0.340 nan 8.360 nan 0.000 0.491 957 G N 2.852 111.667 108.800 0.026 0.000 2.289 957 G HA2 -0.272 3.686 3.960 -0.003 0.000 0.280 957 G HA3 -0.272 3.686 3.960 -0.003 0.000 0.280 957 G C 0.039 174.956 174.900 0.027 0.000 1.089 957 G CA 0.659 45.775 45.100 0.027 0.000 0.939 957 G HN 0.073 nan 8.290 nan 0.000 0.499 958 K N -0.220 120.200 120.400 0.033 0.000 2.127 958 K HA 0.654 4.972 4.320 -0.003 0.000 0.240 958 K C 1.464 178.087 176.600 0.038 0.000 1.024 958 K CA 0.588 56.894 56.287 0.032 0.000 0.918 958 K CB 0.454 32.974 32.500 0.032 0.000 1.108 958 K HN 0.482 nan 8.250 nan 0.000 0.485 959 G N 0.553 109.373 108.800 0.032 0.000 2.634 959 G HA2 0.073 4.031 3.960 -0.003 0.000 0.255 959 G HA3 0.073 4.031 3.960 -0.003 0.000 0.255 959 G C 0.552 175.484 174.900 0.054 0.000 1.205 959 G CA -0.356 44.764 45.100 0.034 0.000 0.884 959 G HN 0.553 nan 8.290 nan 0.000 0.549 960 L N 0.968 122.223 121.223 0.054 0.000 1.976 960 L HA -0.038 4.300 4.340 -0.003 0.000 0.209 960 L C 2.576 179.504 176.870 0.096 0.000 1.071 960 L CA 1.766 56.656 54.840 0.083 0.000 0.746 960 L CB -0.594 41.491 42.059 0.042 0.000 0.890 960 L HN 0.534 nan 8.230 nan 0.000 0.432 961 I N -0.256 120.343 120.570 0.050 0.000 2.439 961 I HA -0.191 3.977 4.170 -0.003 0.000 0.251 961 I C 2.392 178.519 176.117 0.018 0.000 1.139 961 I CA 1.090 62.408 61.300 0.030 0.000 1.438 961 I CB -0.708 37.293 38.000 0.001 0.000 1.085 961 I HN 0.315 nan 8.210 nan 0.000 0.427 962 E N 1.064 121.275 120.200 0.017 0.000 2.058 962 E HA -0.250 4.098 4.350 -0.003 0.000 0.194 962 E C 2.404 179.009 176.600 0.009 0.000 0.997 962 E CA 1.519 57.922 56.400 0.006 0.000 0.801 962 E CB -0.292 29.413 29.700 0.009 0.000 0.746 962 E HN 0.568 nan 8.360 nan 0.000 0.450 963 A N 1.250 124.090 122.820 0.032 0.000 1.897 963 A HA -0.163 4.155 4.320 -0.003 0.000 0.215 963 A C 2.470 180.050 177.584 -0.005 0.000 1.181 963 A CA 2.027 54.081 52.037 0.028 0.000 0.620 963 A CB -0.987 18.050 19.000 0.061 0.000 0.821 963 A HN 0.417 nan 8.150 nan 0.000 0.443 964 T N -1.214 113.345 114.554 0.009 0.000 2.708 964 T HA -0.108 4.240 4.350 -0.003 0.000 0.266 964 T C 1.860 176.516 174.700 -0.074 0.000 1.037 964 T CA 1.532 63.601 62.100 -0.052 0.000 1.146 964 T CB -0.620 68.267 68.868 0.033 0.000 0.865 964 T HN 0.267 nan 8.240 nan 0.000 0.435 965 L N 0.883 122.074 121.223 -0.054 0.000 2.056 965 L HA -0.039 4.299 4.340 -0.003 0.000 0.207 965 L C 2.792 179.618 176.870 -0.074 0.000 1.078 965 L CA 1.646 56.441 54.840 -0.074 0.000 0.749 965 L CB -0.667 41.351 42.059 -0.068 0.000 0.901 965 L HN 0.237 nan 8.230 nan 0.000 0.433 966 D N -0.259 120.112 120.400 -0.048 0.000 2.182 966 D HA -0.161 4.477 4.640 -0.003 0.000 0.201 966 D C 2.041 178.324 176.300 -0.029 0.000 0.986 966 D CA 1.318 55.298 54.000 -0.032 0.000 0.847 966 D CB 0.187 40.983 40.800 -0.007 0.000 0.942 966 D HN 0.326 nan 8.370 nan 0.000 0.467 967 A N -0.506 122.287 122.820 -0.046 0.000 1.861 967 A HA -0.012 4.305 4.320 -0.003 0.000 0.212 967 A C 2.432 179.935 177.584 -0.136 0.000 1.199 967 A CA 0.784 52.785 52.037 -0.060 0.000 0.613 967 A CB -0.670 18.291 19.000 -0.065 0.000 0.846 967 A HN 0.110 nan 8.150 nan 0.000 0.446 968 V N 0.713 120.540 119.914 -0.144 0.000 2.324 968 V HA -0.297 3.821 4.120 -0.003 0.000 0.250 968 V C 2.676 178.685 176.094 -0.142 0.000 1.060 968 V CA 2.447 64.651 62.300 -0.161 0.000 1.042 968 V CB -0.848 30.878 31.823 -0.162 0.000 0.650 968 V HN 0.578 nan 8.190 nan 0.000 0.450 969 R N 0.375 120.802 120.500 -0.121 0.000 2.092 969 R HA -0.188 4.150 4.340 -0.003 0.000 0.226 969 R C 2.513 178.759 176.300 -0.090 0.000 1.140 969 R CA 2.480 58.514 56.100 -0.112 0.000 0.910 969 R CB -0.523 29.705 30.300 -0.121 0.000 0.822 969 R HN 0.652 nan 8.270 nan 0.000 0.433 970 M N -0.547 119.013 119.600 -0.067 0.000 2.446 970 M HA -0.065 4.413 4.480 -0.003 0.000 0.263 970 M C 1.535 177.801 176.300 -0.058 0.000 1.066 970 M CA 1.717 56.999 55.300 -0.030 0.000 1.087 970 M CB 0.033 32.639 32.600 0.010 0.000 1.406 970 M HN -0.027 nan 8.290 nan 0.000 0.459 971 R N 1.012 121.426 120.500 -0.143 0.000 2.642 971 R HA 0.198 4.536 4.340 -0.003 0.000 0.435 971 R C 1.075 177.240 176.300 -0.224 0.000 1.046 971 R CA -0.106 55.847 56.100 -0.246 0.000 1.103 971 R CB 0.361 30.334 30.300 -0.545 0.000 1.425 971 R HN 0.488 nan 8.270 nan 0.000 0.586 972 L N 0.897 122.046 121.223 -0.123 0.000 2.109 972 L HA -0.053 4.285 4.340 -0.003 0.000 0.207 972 L C 2.086 178.964 176.870 0.013 0.000 1.086 972 L CA 1.623 56.420 54.840 -0.071 0.000 0.760 972 L CB -0.526 41.505 42.059 -0.046 0.000 0.910 972 L HN 0.294 nan 8.230 nan 0.000 0.437 973 R N 0.943 121.496 120.500 0.088 0.000 2.094 973 R HA -0.144 4.194 4.340 -0.003 0.000 0.239 973 R C -0.507 175.696 176.300 -0.162 0.000 1.137 973 R CA 2.438 58.627 56.100 0.149 0.000 0.943 973 R CB -1.288 29.158 30.300 0.242 0.000 0.850 973 R HN 0.318 nan 8.270 nan 0.000 0.433 974 P HA -0.123 nan 4.420 nan 0.000 0.221 974 P C 1.279 178.467 177.300 -0.187 0.000 1.150 974 P CA 1.315 64.281 63.100 -0.223 0.000 0.800 974 P CB -0.109 31.484 31.700 -0.178 0.000 0.787 975 I N -1.094 119.387 120.570 -0.148 0.000 2.226 975 I HA -0.227 3.941 4.170 -0.003 0.000 0.245 975 I C 2.267 178.345 176.117 -0.065 0.000 1.100 975 I CA 1.145 62.382 61.300 -0.106 0.000 1.374 975 I CB -0.647 37.293 38.000 -0.101 0.000 1.057 975 I HN -0.107 nan 8.210 nan 0.000 0.413 976 L N -0.380 120.817 121.223 -0.043 0.000 2.072 976 L HA -0.127 4.211 4.340 -0.003 0.000 0.205 976 L C 2.457 179.272 176.870 -0.091 0.000 1.079 976 L CA 1.663 56.514 54.840 0.018 0.000 0.752 976 L CB -0.658 41.508 42.059 0.179 0.000 0.906 976 L HN 0.212 nan 8.230 nan 0.000 0.436 977 M N -1.403 117.974 119.600 -0.371 0.000 2.108 977 M HA -0.253 4.225 4.480 -0.003 0.000 0.261 977 M C 2.100 178.280 176.300 -0.200 0.000 1.066 977 M CA 1.930 56.918 55.300 -0.521 0.000 1.107 977 M CB -0.153 31.993 32.600 -0.756 0.000 1.356 977 M HN 0.233 nan 8.290 nan 0.000 0.406 978 T N -0.133 114.336 114.554 -0.141 0.000 2.701 978 T HA -0.082 4.266 4.350 -0.003 0.000 0.263 978 T C 1.783 176.492 174.700 0.014 0.000 1.040 978 T CA 1.823 63.890 62.100 -0.055 0.000 1.147 978 T CB -0.128 68.703 68.868 -0.062 0.000 0.865 978 T HN 0.433 nan 8.240 nan 0.000 0.426 979 S N 1.228 116.936 115.700 0.015 0.000 2.383 979 S HA 0.045 4.513 4.470 -0.003 0.000 0.227 979 S C 1.926 176.605 174.600 0.133 0.000 1.026 979 S CA 0.679 58.919 58.200 0.067 0.000 0.981 979 S CB -0.344 62.883 63.200 0.045 0.000 0.818 979 S HN 0.201 nan 8.310 nan 0.000 0.472 980 L N 1.219 122.507 121.223 0.108 0.000 2.201 980 L HA 0.030 4.368 4.340 -0.003 0.000 0.212 980 L C 2.445 179.384 176.870 0.115 0.000 1.105 980 L CA 1.040 55.955 54.840 0.125 0.000 0.775 980 L CB -0.576 41.567 42.059 0.141 0.000 0.913 980 L HN 0.296 nan 8.230 nan 0.000 0.440 981 A N -1.019 121.862 122.820 0.102 0.000 1.930 981 A HA -0.234 4.084 4.320 -0.003 0.000 0.217 981 A C 2.179 179.835 177.584 0.121 0.000 1.175 981 A CA 1.381 53.472 52.037 0.090 0.000 0.627 981 A CB -0.783 18.255 19.000 0.064 0.000 0.815 981 A HN 0.390 nan 8.150 nan 0.000 0.443 982 F N 0.714 120.674 119.950 0.018 0.000 2.084 982 F HA -0.129 4.396 4.527 -0.003 0.000 0.296 982 F C 2.011 177.826 175.800 0.026 0.000 1.111 982 F CA 1.782 59.794 58.000 0.021 0.000 1.224 982 F CB -0.290 38.722 39.000 0.019 0.000 0.991 982 F HN 0.165 nan 8.300 nan 0.000 0.471 983 I N 0.286 120.969 120.570 0.189 0.000 2.194 983 I HA -0.346 3.822 4.170 -0.003 0.000 0.246 983 I C 2.033 178.142 176.117 -0.013 0.000 1.093 983 I CA 1.548 62.900 61.300 0.086 0.000 1.355 983 I CB -0.584 37.499 38.000 0.138 0.000 1.046 983 I HN 0.188 nan 8.210 nan 0.000 0.413 984 L N -0.059 121.169 121.223 0.010 0.000 2.591 984 L HA 0.118 4.456 4.340 -0.003 0.000 0.228 984 L C 2.208 179.057 176.870 -0.035 0.000 1.133 984 L CA 0.380 55.220 54.840 0.001 0.000 0.880 984 L CB -0.335 41.747 42.059 0.038 0.000 1.033 984 L HN 0.248 nan 8.230 nan 0.000 0.450 985 G N -0.989 107.756 108.800 -0.091 0.000 2.656 985 G HA2 -0.018 3.940 3.960 -0.003 0.000 0.211 985 G HA3 -0.018 3.940 3.960 -0.003 0.000 0.211 985 G C 1.342 176.118 174.900 -0.206 0.000 1.137 985 G CA 0.225 45.251 45.100 -0.122 0.000 0.802 985 G HN 0.127 nan 8.290 nan 0.000 0.527 986 V N 1.104 120.822 119.914 -0.327 0.000 3.174 986 V HA 0.081 4.199 4.120 -0.003 0.000 0.254 986 V C 2.484 178.468 176.094 -0.184 0.000 1.120 986 V CA 0.862 62.950 62.300 -0.354 0.000 1.114 986 V CB 0.217 31.664 31.823 -0.627 0.000 0.756 986 V HN 0.377 nan 8.190 nan 0.000 0.467 987 M N 0.924 120.450 119.600 -0.123 0.000 2.108 987 M HA -0.133 4.345 4.480 -0.003 0.000 0.261 987 M C -0.458 175.811 176.300 -0.052 0.000 1.066 987 M CA 2.374 57.638 55.300 -0.061 0.000 1.107 987 M CB -1.132 31.452 32.600 -0.027 0.000 1.356 987 M HN 0.242 nan 8.290 nan 0.000 0.406 988 P HA -0.149 nan 4.420 nan 0.000 0.218 988 P C 1.481 178.750 177.300 -0.051 0.000 1.146 988 P CA 1.258 64.332 63.100 -0.044 0.000 0.813 988 P CB -0.219 31.454 31.700 -0.044 0.000 0.778 989 L N -1.587 119.590 121.223 -0.075 0.000 2.072 989 L HA -0.117 4.221 4.340 -0.003 0.000 0.205 989 L C 2.341 179.164 176.870 -0.078 0.000 1.079 989 L CA 1.153 55.936 54.840 -0.094 0.000 0.752 989 L CB -1.107 40.857 42.059 -0.158 0.000 0.906 989 L HN -0.143 nan 8.230 nan 0.000 0.436 990 V N -0.221 119.656 119.914 -0.062 0.000 2.332 990 V HA -0.178 3.940 4.120 -0.003 0.000 0.248 990 V C 1.166 177.252 176.094 -0.014 0.000 1.055 990 V CA 1.056 63.337 62.300 -0.033 0.000 1.038 990 V CB -0.227 31.587 31.823 -0.014 0.000 0.651 990 V HN 0.247 nan 8.190 nan 0.000 0.450 991 I N 0.483 121.047 120.570 -0.012 0.000 2.355 991 I HA 0.508 4.676 4.170 -0.003 0.000 0.288 991 I C -0.638 175.475 176.117 -0.006 0.000 0.999 991 I CA 0.483 61.783 61.300 -0.000 0.000 1.163 991 I CB 1.254 39.259 38.000 0.008 0.000 1.316 991 I HN 0.122 nan 8.210 nan 0.000 0.454 992 S N 4.893 120.593 115.700 -0.001 0.000 2.775 992 S HA 0.363 4.831 4.470 -0.003 0.000 0.277 992 S C 0.031 174.638 174.600 0.011 0.000 1.156 992 S CA -0.396 57.803 58.200 -0.003 0.000 1.081 992 S CB 0.655 63.849 63.200 -0.011 0.000 1.054 992 S HN 0.672 nan 8.310 nan 0.000 0.482 993 T N 2.936 117.498 114.554 0.014 0.000 3.607 993 T HA 0.494 4.842 4.350 -0.003 0.000 0.225 993 T C 0.588 175.307 174.700 0.031 0.000 0.904 993 T CA -0.208 61.909 62.100 0.029 0.000 0.962 993 T CB -0.071 68.816 68.868 0.031 0.000 1.221 993 T HN 0.641 nan 8.240 nan 0.000 0.641 994 G N 0.140 108.953 108.800 0.021 0.000 2.788 994 G HA2 0.688 4.646 3.960 -0.003 0.000 0.293 994 G HA3 0.688 4.646 3.960 -0.003 0.000 0.293 994 G C -1.286 173.602 174.900 -0.019 0.000 1.392 994 G CA -0.827 44.271 45.100 -0.004 0.000 0.810 994 G HN 0.438 nan 8.290 nan 0.000 0.508 995 A N -1.260 121.476 122.820 -0.140 0.000 2.388 995 A HA 0.604 4.922 4.320 -0.003 0.000 0.257 995 A C 1.427 178.955 177.584 -0.093 0.000 1.095 995 A CA 1.110 53.030 52.037 -0.194 0.000 0.791 995 A CB 0.058 18.561 19.000 -0.829 0.000 1.029 995 A HN 2.698 nan 8.150 nan 0.000 0.489 996 G N 1.071 109.955 108.800 0.140 0.000 2.159 996 G HA2 -0.278 3.680 3.960 -0.003 0.000 0.256 996 G HA3 -0.278 3.680 3.960 -0.003 0.000 0.256 996 G C 1.261 176.230 174.900 0.115 0.000 0.977 996 G CA 1.331 46.531 45.100 0.167 0.000 0.652 996 G HN 2.028 nan 8.290 nan 0.000 0.531 997 S N -0.158 115.590 115.700 0.078 0.000 2.399 997 S HA 0.090 4.558 4.470 -0.003 0.000 0.231 997 S C 2.571 177.203 174.600 0.053 0.000 1.022 997 S CA 1.589 59.818 58.200 0.049 0.000 0.983 997 S CB -0.788 62.435 63.200 0.037 0.000 0.803 997 S HN 1.660 nan 8.310 nan 0.000 0.480 998 G N 1.832 110.691 108.800 0.099 0.000 2.513 998 G HA2 -0.114 3.844 3.960 -0.003 0.000 0.219 998 G HA3 -0.114 3.844 3.960 -0.003 0.000 0.219 998 G C 1.642 176.596 174.900 0.090 0.000 1.160 998 G CA 1.269 46.434 45.100 0.108 0.000 0.767 998 G HN 0.837 nan 8.290 nan 0.000 0.571 999 A N 0.189 123.069 122.820 0.099 0.000 1.832 999 A HA -0.036 4.282 4.320 -0.003 0.000 0.214 999 A C 2.328 179.676 177.584 -0.393 0.000 1.200 999 A CA 1.859 53.845 52.037 -0.086 0.000 0.610 999 A CB -0.631 18.438 19.000 0.116 0.000 0.842 999 A HN 0.412 nan 8.150 nan 0.000 0.444 1000 Q N -0.060 119.582 119.800 -0.264 0.000 2.156 1000 Q HA -0.260 4.078 4.340 -0.003 0.000 0.211 1000 Q C 1.980 177.811 176.000 -0.281 0.000 0.995 1000 Q CA 1.909 57.489 55.803 -0.371 0.000 0.877 1000 Q CB -0.458 28.226 28.738 -0.091 0.000 0.920 1000 Q HN 0.771 nan 8.270 nan 0.000 0.416 1001 N N 0.066 118.680 118.700 -0.143 0.000 2.058 1001 N HA -0.137 4.601 4.740 -0.003 0.000 0.191 1001 N C 1.795 177.263 175.510 -0.070 0.000 1.037 1001 N CA 0.878 53.883 53.050 -0.076 0.000 0.848 1001 N CB -0.140 38.336 38.487 -0.017 0.000 1.021 1001 N HN 0.199 nan 8.380 nan 0.000 0.422 1002 A N 0.825 123.609 122.820 -0.060 0.000 2.067 1002 A HA -0.023 4.295 4.320 -0.003 0.000 0.219 1002 A C 2.334 179.918 177.584 0.002 0.000 1.158 1002 A CA 0.832 52.889 52.037 0.032 0.000 0.661 1002 A CB -0.338 18.758 19.000 0.160 0.000 0.801 1002 A HN 0.087 nan 8.150 nan 0.000 0.452 1003 V N -0.475 119.283 119.914 -0.261 0.000 2.346 1003 V HA -0.086 4.032 4.120 -0.003 0.000 0.244 1003 V C 2.770 178.769 176.094 -0.159 0.000 1.037 1003 V CA 1.897 64.014 62.300 -0.306 0.000 1.029 1003 V CB -1.310 30.061 31.823 -0.754 0.000 0.663 1003 V HN 0.548 nan 8.190 nan 0.000 0.454 1004 G N -0.475 108.219 108.800 -0.177 0.000 2.404 1004 G HA2 -0.185 3.773 3.960 -0.003 0.000 0.214 1004 G HA3 -0.185 3.773 3.960 -0.003 0.000 0.214 1004 G C 1.692 176.585 174.900 -0.011 0.000 1.189 1004 G CA 1.357 46.392 45.100 -0.107 0.000 0.789 1004 G HN 0.411 nan 8.290 nan 0.000 0.533 1005 T N 1.207 115.770 114.554 0.015 0.000 2.570 1005 T HA -0.159 4.189 4.350 -0.003 0.000 0.266 1005 T C 2.460 177.238 174.700 0.130 0.000 1.071 1005 T CA 1.991 64.130 62.100 0.066 0.000 1.172 1005 T CB -0.953 67.953 68.868 0.063 0.000 0.864 1005 T HN 0.370 nan 8.240 nan 0.000 0.421 1006 G N 0.347 109.275 108.800 0.213 0.000 2.491 1006 G HA2 -0.216 3.742 3.960 -0.003 0.000 0.218 1006 G HA3 -0.216 3.742 3.960 -0.003 0.000 0.218 1006 G C 1.744 176.755 174.900 0.185 0.000 1.180 1006 G CA 1.037 46.345 45.100 0.347 0.000 0.774 1006 G HN 0.448 nan 8.290 nan 0.000 0.562 1007 V N 0.654 120.646 119.914 0.131 0.000 2.453 1007 V HA -0.017 4.101 4.120 -0.003 0.000 0.247 1007 V C 2.602 178.848 176.094 0.253 0.000 1.048 1007 V CA 2.072 64.470 62.300 0.163 0.000 1.049 1007 V CB -0.036 31.916 31.823 0.217 0.000 0.672 1007 V HN 0.463 nan 8.190 nan 0.000 0.457 1008 M N -0.148 119.564 119.600 0.188 0.000 2.117 1008 M HA -0.087 4.391 4.480 -0.003 0.000 0.262 1008 M C 1.994 178.386 176.300 0.152 0.000 1.065 1008 M CA 2.270 57.671 55.300 0.169 0.000 1.114 1008 M CB -0.792 31.847 32.600 0.065 0.000 1.361 1008 M HN 0.440 nan 8.290 nan 0.000 0.408 1009 G N -0.772 108.105 108.800 0.128 0.000 2.402 1009 G HA2 -0.146 3.812 3.960 -0.003 0.000 0.216 1009 G HA3 -0.146 3.812 3.960 -0.003 0.000 0.216 1009 G C 1.407 176.369 174.900 0.103 0.000 1.162 1009 G CA 0.875 46.041 45.100 0.110 0.000 0.777 1009 G HN 0.596 nan 8.290 nan 0.000 0.539 1010 G N 0.798 109.662 108.800 0.107 0.000 2.446 1010 G HA2 -0.248 3.710 3.960 -0.003 0.000 0.217 1010 G HA3 -0.248 3.710 3.960 -0.003 0.000 0.217 1010 G C 1.765 176.700 174.900 0.057 0.000 1.168 1010 G CA 1.473 46.613 45.100 0.067 0.000 0.771 1010 G HN 0.417 nan 8.290 nan 0.000 0.551 1011 M N 0.581 120.234 119.600 0.089 0.000 2.296 1011 M HA 0.097 4.575 4.480 -0.003 0.000 0.265 1011 M C 2.340 178.696 176.300 0.094 0.000 1.064 1011 M CA 0.925 56.267 55.300 0.070 0.000 1.109 1011 M CB -0.286 32.406 32.600 0.153 0.000 1.396 1011 M HN 0.016 nan 8.290 nan 0.000 0.430 1012 V N 0.294 120.275 119.914 0.111 0.000 2.233 1012 V HA -0.310 3.808 4.120 -0.003 0.000 0.247 1012 V C 2.528 178.678 176.094 0.093 0.000 1.050 1012 V CA 2.516 64.878 62.300 0.103 0.000 1.010 1012 V CB -1.477 30.402 31.823 0.093 0.000 0.637 1012 V HN 0.748 nan 8.190 nan 0.000 0.444 1013 T N -1.212 113.390 114.554 0.081 0.000 2.951 1013 T HA -0.025 4.323 4.350 -0.003 0.000 0.268 1013 T C 1.725 176.476 174.700 0.085 0.000 1.073 1013 T CA 1.131 63.280 62.100 0.082 0.000 1.134 1013 T CB -0.432 68.473 68.868 0.061 0.000 0.884 1013 T HN 0.454 nan 8.240 nan 0.000 0.479 1014 A N 1.557 124.414 122.820 0.062 0.000 2.248 1014 A HA 0.127 4.445 4.320 -0.003 0.000 0.210 1014 A C 2.389 180.006 177.584 0.055 0.000 1.174 1014 A CA 1.562 53.627 52.037 0.048 0.000 0.750 1014 A CB -0.974 18.029 19.000 0.005 0.000 0.780 1014 A HN 0.789 nan 8.150 nan 0.000 0.478 1015 T N -5.138 109.461 114.554 0.076 0.000 3.238 1015 T HA 0.029 4.377 4.350 -0.003 0.000 0.242 1015 T C 1.597 176.364 174.700 0.113 0.000 0.980 1015 T CA 0.938 63.083 62.100 0.075 0.000 1.235 1015 T CB -0.745 68.171 68.868 0.079 0.000 1.069 1015 T HN 0.003 nan 8.240 nan 0.000 0.407 1016 V N 2.284 122.289 119.914 0.153 0.000 2.332 1016 V HA -0.083 4.035 4.120 -0.003 0.000 0.248 1016 V C 2.707 179.005 176.094 0.340 0.000 1.055 1016 V CA 1.551 63.985 62.300 0.224 0.000 1.038 1016 V CB -0.980 30.962 31.823 0.198 0.000 0.651 1016 V HN 0.284 nan 8.190 nan 0.000 0.450 1017 L N 0.350 121.747 121.223 0.291 0.000 2.044 1017 L HA 0.057 4.395 4.340 -0.003 0.000 0.205 1017 L C 2.615 179.760 176.870 0.458 0.000 1.075 1017 L CA 2.102 57.188 54.840 0.411 0.000 0.747 1017 L CB -1.358 40.835 42.059 0.225 0.000 0.903 1017 L HN 0.260 nan 8.230 nan 0.000 0.435 1018 A N 0.299 123.270 122.820 0.251 0.000 1.972 1018 A HA -0.144 4.174 4.320 -0.003 0.000 0.219 1018 A C 2.037 179.655 177.584 0.056 0.000 1.169 1018 A CA 1.588 53.731 52.037 0.177 0.000 0.635 1018 A CB -1.020 18.044 19.000 0.107 0.000 0.810 1018 A HN 0.550 nan 8.150 nan 0.000 0.446 1019 I N -5.403 115.138 120.570 -0.049 0.000 3.528 1019 I HA 0.154 4.322 4.170 -0.003 0.000 0.298 1019 I C 1.136 176.876 176.117 -0.629 0.000 1.281 1019 I CA 0.929 62.043 61.300 -0.311 0.000 1.269 1019 I CB -0.294 37.491 38.000 -0.359 0.000 1.013 1019 I HN 0.173 nan 8.210 nan 0.000 0.512 1020 F N -1.110 118.784 119.950 -0.094 0.000 2.658 1020 F HA 0.305 4.830 4.527 -0.003 0.000 0.293 1020 F C 1.546 177.082 175.800 -0.439 0.000 0.986 1020 F CA -0.059 57.775 58.000 -0.276 0.000 1.182 1020 F CB -0.031 38.789 39.000 -0.301 0.000 0.965 1020 F HN -0.130 nan 8.300 nan 0.000 0.659 1021 F N -0.288 119.588 119.950 -0.123 0.000 2.446 1021 F HA 0.004 4.529 4.527 -0.003 0.000 0.292 1021 F C 2.100 177.401 175.800 -0.832 0.000 1.096 1021 F CA 0.567 58.261 58.000 -0.511 0.000 1.438 1021 F CB -0.425 38.339 39.000 -0.395 0.000 1.107 1021 F HN -0.311 nan 8.300 nan 0.000 0.546 1022 V N 1.894 121.719 119.914 -0.148 0.000 2.255 1022 V HA -0.230 3.888 4.120 -0.003 0.000 0.247 1022 V C -0.331 175.730 176.094 -0.054 0.000 1.051 1022 V CA 2.067 64.371 62.300 0.008 0.000 1.018 1022 V CB -1.914 29.941 31.823 0.053 0.000 0.641 1022 V HN 0.148 nan 8.190 nan 0.000 0.445 1023 P HA -0.105 nan 4.420 nan 0.000 0.219 1023 P C 1.870 179.126 177.300 -0.073 0.000 1.146 1023 P CA 1.319 64.369 63.100 -0.085 0.000 0.808 1023 P CB -0.060 31.552 31.700 -0.147 0.000 0.779 1024 V N -0.497 119.274 119.914 -0.238 0.000 2.270 1024 V HA -0.208 3.910 4.120 -0.003 0.000 0.245 1024 V C 2.510 178.556 176.094 -0.080 0.000 1.043 1024 V CA 1.748 63.900 62.300 -0.247 0.000 1.014 1024 V CB -1.453 30.109 31.823 -0.436 0.000 0.645 1024 V HN -0.025 nan 8.190 nan 0.000 0.447 1025 F N -0.861 119.100 119.950 0.019 0.000 2.091 1025 F HA -0.267 4.257 4.527 -0.003 0.000 0.299 1025 F C 2.297 178.129 175.800 0.053 0.000 1.103 1025 F CA 2.010 60.015 58.000 0.008 0.000 1.228 1025 F CB -0.572 38.426 39.000 -0.004 0.000 0.984 1025 F HN 0.159 nan 8.300 nan 0.000 0.477 1026 F N 0.860 120.885 119.950 0.125 0.000 2.095 1026 F HA -0.211 4.314 4.527 -0.003 0.000 0.298 1026 F C 2.222 178.045 175.800 0.038 0.000 1.104 1026 F CA 1.388 59.422 58.000 0.056 0.000 1.232 1026 F CB -0.696 38.310 39.000 0.011 0.000 0.987 1026 F HN -0.288 nan 8.300 nan 0.000 0.475 1027 V N -0.573 119.389 119.914 0.080 0.000 2.358 1027 V HA -0.278 3.840 4.120 -0.003 0.000 0.246 1027 V C 2.354 178.417 176.094 -0.052 0.000 1.047 1027 V CA 1.588 63.875 62.300 -0.021 0.000 1.035 1027 V CB -0.731 31.106 31.823 0.024 0.000 0.658 1027 V HN 0.260 nan 8.190 nan 0.000 0.452 1028 V N -0.388 119.525 119.914 -0.001 0.000 2.261 1028 V HA -0.218 3.900 4.120 -0.003 0.000 0.246 1028 V C 2.402 178.488 176.094 -0.013 0.000 1.047 1028 V CA 2.021 64.329 62.300 0.012 0.000 1.015 1028 V CB -0.461 31.401 31.823 0.066 0.000 0.642 1028 V HN 0.382 nan 8.190 nan 0.000 0.446 1029 V N -0.431 119.474 119.914 -0.015 0.000 2.307 1029 V HA -0.199 3.919 4.120 -0.003 0.000 0.245 1029 V C 2.676 178.726 176.094 -0.073 0.000 1.045 1029 V CA 1.752 64.030 62.300 -0.036 0.000 1.024 1029 V CB -0.811 31.009 31.823 -0.005 0.000 0.651 1029 V HN 0.394 nan 8.190 nan 0.000 0.449 1030 R N 0.195 120.563 120.500 -0.220 0.000 2.154 1030 R HA -0.146 4.192 4.340 -0.003 0.000 0.248 1030 R C 2.221 178.479 176.300 -0.070 0.000 1.155 1030 R CA 1.375 57.327 56.100 -0.247 0.000 0.979 1030 R CB -0.483 29.461 30.300 -0.593 0.000 0.869 1030 R HN 0.483 nan 8.270 nan 0.000 0.452 1031 R N -0.140 120.324 120.500 -0.060 0.000 2.323 1031 R HA 0.023 4.361 4.340 -0.003 0.000 0.198 1031 R C 0.606 176.914 176.300 0.014 0.000 0.988 1031 R CA 0.496 56.585 56.100 -0.018 0.000 1.041 1031 R CB 0.175 30.461 30.300 -0.022 0.000 0.926 1031 R HN 0.026 nan 8.270 nan 0.000 0.476 1032 R N -0.504 120.023 120.500 0.046 0.000 2.727 1032 R HA 0.230 4.568 4.340 -0.003 0.000 0.410 1032 R C -1.201 175.219 176.300 0.201 0.000 1.101 1032 R CA -0.200 55.945 56.100 0.075 0.000 1.045 1032 R CB 0.520 30.843 30.300 0.038 0.000 1.380 1032 R HN -0.028 nan 8.270 nan 0.000 0.587 1033 F N 0.000 119.952 119.950 0.003 0.000 2.286 1033 F HA 0.000 4.525 4.527 -0.003 0.000 0.279 1033 F CA 0.000 58.023 58.000 0.039 0.000 1.383 1033 F CB 0.000 39.045 39.000 0.075 0.000 1.145 1033 F HN 0.000 nan 8.300 nan 0.000 0.574