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 2hrt_1_E 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 0.000 177.388 177.300 0.147 0.000 1.155 2 P CA 0.000 63.206 63.100 0.177 0.000 0.800 2 P CB 0.000 31.753 31.700 0.088 0.000 0.726 3 N N -0.577 118.181 118.700 0.097 0.000 2.223 3 N HA -0.004 4.736 4.740 -0.000 0.000 0.185 3 N C 1.527 177.068 175.510 0.051 0.000 1.016 3 N CA 1.044 54.130 53.050 0.060 0.000 0.863 3 N CB -0.497 38.013 38.487 0.038 0.000 0.983 3 N HN 0.208 nan 8.380 nan 0.000 0.429 4 F N 0.091 119.964 119.950 -0.127 0.000 2.069 4 F HA -0.156 4.371 4.527 -0.000 0.000 0.298 4 F C 1.497 177.073 175.800 -0.372 0.000 1.113 4 F CA 1.571 59.379 58.000 -0.319 0.000 1.214 4 F CB -0.351 38.319 39.000 -0.550 0.000 0.978 4 F HN -0.001 nan 8.300 nan 0.000 0.474 5 F N -0.552 119.409 119.950 0.017 0.000 2.664 5 F HA 0.070 4.597 4.527 0.000 0.000 0.296 5 F C 2.147 177.903 175.800 -0.074 0.000 1.125 5 F CA 0.315 58.270 58.000 -0.076 0.000 1.444 5 F CB -0.490 38.490 39.000 -0.033 0.000 1.114 5 F HN -0.092 nan 8.300 nan 0.000 0.576 6 I N 0.263 120.886 120.570 0.088 0.000 2.264 6 I HA -0.291 3.879 4.170 -0.000 0.000 0.248 6 I C 1.497 177.612 176.117 -0.003 0.000 1.111 6 I CA 1.438 62.760 61.300 0.037 0.000 1.382 6 I CB -0.271 37.743 38.000 0.024 0.000 1.060 6 I HN 0.101 nan 8.210 nan 0.000 0.418 7 D N 0.578 120.939 120.400 -0.064 0.000 2.348 7 D HA 0.032 4.672 4.640 -0.000 0.000 0.211 7 D C 0.635 176.869 176.300 -0.111 0.000 0.998 7 D CA 0.535 54.480 54.000 -0.092 0.000 0.873 7 D CB 0.172 40.895 40.800 -0.128 0.000 0.925 7 D HN 0.309 nan 8.370 nan 0.000 0.524 8 R N 1.031 121.459 120.500 -0.120 0.000 2.651 8 R HA 0.176 4.516 4.340 -0.000 0.000 0.282 8 R C -1.840 174.542 176.300 0.137 0.000 1.565 8 R CA -1.039 55.032 56.100 -0.047 0.000 1.661 8 R CB 1.523 31.693 30.300 -0.216 0.000 1.189 8 R HN -0.042 nan 8.270 nan 0.000 0.621 9 P HA -0.112 nan 4.420 nan 0.000 0.221 9 P C 0.930 178.424 177.300 0.322 0.000 1.150 9 P CA 0.935 64.152 63.100 0.195 0.000 0.800 9 P CB 0.395 32.205 31.700 0.183 0.000 0.787 10 I N -0.997 119.751 120.570 0.296 0.000 2.233 10 I HA -0.149 4.021 4.170 -0.000 0.000 0.243 10 I C 2.585 178.928 176.117 0.375 0.000 1.093 10 I CA 1.222 62.711 61.300 0.315 0.000 1.380 10 I CB -1.068 37.032 38.000 0.166 0.000 1.067 10 I HN -0.181 nan 8.210 nan 0.000 0.413 11 F N 1.178 121.244 119.950 0.192 0.000 2.065 11 F HA -0.388 4.139 4.527 -0.000 0.000 0.298 11 F C 2.552 178.520 175.800 0.280 0.000 1.112 11 F CA 1.276 59.425 58.000 0.248 0.000 1.212 11 F CB -0.048 39.114 39.000 0.270 0.000 0.975 11 F HN 0.099 nan 8.300 nan 0.000 0.476 12 A N -0.321 122.794 122.820 0.491 0.000 1.908 12 A HA -0.292 4.028 4.320 -0.000 0.000 0.218 12 A C 1.913 179.513 177.584 0.027 0.000 1.181 12 A CA 1.772 53.853 52.037 0.074 0.000 0.627 12 A CB -1.696 17.262 19.000 -0.070 0.000 0.818 12 A HN 0.701 nan 8.150 nan 0.000 0.445 13 W N -0.378 120.989 121.300 0.112 0.000 2.374 13 W HA -0.135 4.525 4.660 -0.000 0.000 0.288 13 W C 2.271 178.837 176.519 0.079 0.000 1.218 13 W CA 1.246 58.633 57.345 0.071 0.000 1.245 13 W CB -0.181 29.315 29.460 0.060 0.000 1.126 13 W HN 0.161 nan 8.180 nan 0.000 0.545 14 V N 0.434 120.567 119.914 0.366 0.000 2.307 14 V HA -0.311 3.809 4.120 -0.000 0.000 0.245 14 V C 1.862 178.087 176.094 0.218 0.000 1.045 14 V CA 1.732 64.189 62.300 0.262 0.000 1.024 14 V CB -0.782 31.175 31.823 0.223 0.000 0.651 14 V HN 0.140 nan 8.190 nan 0.000 0.449 15 I N 0.465 121.171 120.570 0.227 0.000 2.286 15 I HA -0.237 3.933 4.170 -0.000 0.000 0.248 15 I C 2.623 178.765 176.117 0.042 0.000 1.115 15 I CA 1.377 62.746 61.300 0.115 0.000 1.392 15 I CB -0.558 37.451 38.000 0.014 0.000 1.065 15 I HN 0.285 nan 8.210 nan 0.000 0.418 16 A N 1.107 123.946 122.820 0.032 0.000 1.877 16 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 16 A C 2.286 179.928 177.584 0.096 0.000 1.186 16 A CA 1.547 53.596 52.037 0.020 0.000 0.620 16 A CB -0.806 18.172 19.000 -0.036 0.000 0.822 16 A HN 0.372 nan 8.150 nan 0.000 0.443 17 I N -0.498 120.170 120.570 0.163 0.000 2.315 17 I HA -0.231 3.939 4.170 -0.000 0.000 0.248 17 I C 2.257 178.426 176.117 0.086 0.000 1.117 17 I CA 1.066 62.449 61.300 0.138 0.000 1.404 17 I CB -0.269 37.818 38.000 0.145 0.000 1.071 17 I HN 0.301 nan 8.210 nan 0.000 0.419 18 I N 0.578 121.197 120.570 0.082 0.000 2.179 18 I HA -0.303 3.867 4.170 -0.000 0.000 0.242 18 I C 2.454 178.595 176.117 0.040 0.000 1.088 18 I CA 1.623 62.959 61.300 0.059 0.000 1.357 18 I CB -0.189 37.851 38.000 0.067 0.000 1.051 18 I HN 0.124 nan 8.210 nan 0.000 0.409 19 I N 0.055 120.644 120.570 0.033 0.000 2.163 19 I HA -0.363 3.807 4.170 -0.000 0.000 0.243 19 I C 2.589 178.722 176.117 0.027 0.000 1.085 19 I CA 1.726 63.035 61.300 0.014 0.000 1.347 19 I CB -0.233 37.762 38.000 -0.009 0.000 1.044 19 I HN 0.212 nan 8.210 nan 0.000 0.408 20 M N -0.267 119.357 119.600 0.041 0.000 2.117 20 M HA -0.213 4.267 4.480 -0.000 0.000 0.262 20 M C 2.289 178.611 176.300 0.036 0.000 1.065 20 M CA 1.778 57.106 55.300 0.046 0.000 1.114 20 M CB -0.311 32.327 32.600 0.063 0.000 1.361 20 M HN 0.255 nan 8.290 nan 0.000 0.408 21 L N -0.554 120.689 121.223 0.034 0.000 2.109 21 L HA -0.094 4.246 4.340 -0.000 0.000 0.207 21 L C 2.817 179.696 176.870 0.016 0.000 1.086 21 L CA 0.895 55.748 54.840 0.022 0.000 0.760 21 L CB -0.851 41.222 42.059 0.023 0.000 0.910 21 L HN 0.279 nan 8.230 nan 0.000 0.437 22 A N 0.387 123.219 122.820 0.019 0.000 1.902 22 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 22 A C 2.354 179.949 177.584 0.018 0.000 1.181 22 A CA 1.736 53.781 52.037 0.013 0.000 0.623 22 A CB -1.041 17.964 19.000 0.008 0.000 0.818 22 A HN 0.430 nan 8.150 nan 0.000 0.443 23 G N -0.935 107.885 108.800 0.033 0.000 2.430 23 G HA2 0.156 4.116 3.960 -0.000 0.000 0.216 23 G HA3 0.156 4.116 3.960 -0.000 0.000 0.216 23 G C 1.444 176.359 174.900 0.024 0.000 1.146 23 G CA 1.104 46.244 45.100 0.068 0.000 0.793 23 G HN 0.659 nan 8.290 nan 0.000 0.537 24 G N 0.851 109.652 108.800 0.002 0.000 2.402 24 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.216 24 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.216 24 G C 1.637 176.510 174.900 -0.046 0.000 1.162 24 G CA 0.505 45.584 45.100 -0.034 0.000 0.777 24 G HN 0.280 nan 8.290 nan 0.000 0.539 25 L N 1.022 122.231 121.223 -0.022 0.000 2.083 25 L HA 0.015 4.355 4.340 -0.000 0.000 0.209 25 L C 3.171 180.026 176.870 -0.027 0.000 1.083 25 L CA 1.938 56.766 54.840 -0.021 0.000 0.752 25 L CB -1.139 40.916 42.059 -0.007 0.000 0.899 25 L HN 0.329 nan 8.230 nan 0.000 0.433 26 A N 0.064 122.873 122.820 -0.018 0.000 1.835 26 A HA -0.255 4.065 4.320 -0.000 0.000 0.215 26 A C 2.274 179.817 177.584 -0.068 0.000 1.199 26 A CA 1.758 53.791 52.037 -0.007 0.000 0.615 26 A CB -0.904 18.127 19.000 0.052 0.000 0.838 26 A HN 0.336 nan 8.150 nan 0.000 0.444 27 I N -0.733 119.730 120.570 -0.177 0.000 2.236 27 I HA -0.258 3.912 4.170 -0.000 0.000 0.249 27 I C 2.170 178.168 176.117 -0.198 0.000 1.102 27 I CA 1.221 62.309 61.300 -0.353 0.000 1.365 27 I CB 0.005 37.673 38.000 -0.553 0.000 1.051 27 I HN 0.302 nan 8.210 nan 0.000 0.420 28 L N 0.056 121.204 121.223 -0.125 0.000 1.993 28 L HA -0.092 4.248 4.340 -0.000 0.000 0.206 28 L C 1.023 177.858 176.870 -0.058 0.000 1.074 28 L CA 1.747 56.538 54.840 -0.083 0.000 0.746 28 L CB -0.872 41.151 42.059 -0.059 0.000 0.896 28 L HN 0.169 nan 8.230 nan 0.000 0.435 29 K N 0.233 120.609 120.400 -0.040 0.000 2.457 29 K HA 0.377 4.697 4.320 -0.000 0.000 0.226 29 K C -1.203 175.392 176.600 -0.009 0.000 1.114 29 K CA 0.075 56.349 56.287 -0.021 0.000 1.089 29 K CB 0.249 32.741 32.500 -0.013 0.000 1.739 29 K HN -0.060 nan 8.250 nan 0.000 0.473 30 L N 1.563 122.779 121.223 -0.010 0.000 2.482 30 L HA 0.566 4.906 4.340 -0.000 0.000 0.263 30 L C -2.751 174.129 176.870 0.016 0.000 0.957 30 L CA -2.140 52.708 54.840 0.014 0.000 0.836 30 L CB 1.895 43.966 42.059 0.020 0.000 1.324 30 L HN 0.175 nan 8.230 nan 0.000 0.406 31 P HA 0.266 nan 4.420 nan 0.000 0.268 31 P C -1.301 176.019 177.300 0.032 0.000 1.204 31 P CA -0.122 62.994 63.100 0.028 0.000 0.768 31 P CB 0.740 32.459 31.700 0.032 0.000 0.842 32 V N 0.061 119.988 119.914 0.021 0.000 2.540 32 V HA 0.957 5.077 4.120 -0.000 0.000 0.302 32 V C -0.743 175.365 176.094 0.024 0.000 1.035 32 V CA -0.926 61.387 62.300 0.022 0.000 0.873 32 V CB 1.431 33.258 31.823 0.007 0.000 0.992 32 V HN 0.728 nan 8.190 nan 0.000 0.428 33 A N 3.246 126.083 122.820 0.027 0.000 2.609 33 A HA 0.620 4.940 4.320 -0.000 0.000 0.291 33 A C 0.381 177.970 177.584 0.009 0.000 1.096 33 A CA -0.058 52.000 52.037 0.035 0.000 0.684 33 A CB 1.804 20.836 19.000 0.052 0.000 1.282 33 A HN 0.925 nan 8.150 nan 0.000 0.412 34 Q N -0.857 118.950 119.800 0.011 0.000 2.084 34 Q HA -0.049 4.291 4.340 -0.000 0.000 0.202 34 Q C -0.696 175.066 176.000 -0.396 0.000 0.978 34 Q CA 1.759 57.483 55.803 -0.132 0.000 0.844 34 Q CB -0.038 28.695 28.738 -0.009 0.000 0.898 34 Q HN 0.677 nan 8.270 nan 0.000 0.426 35 Y N -0.905 119.467 120.300 0.120 0.000 2.588 35 Y HA 0.424 4.974 4.550 0.000 0.000 0.343 35 Y C -2.199 173.729 175.900 0.048 0.000 1.065 35 Y CA -2.571 55.584 58.100 0.090 0.000 1.038 35 Y CB 1.705 40.220 38.460 0.093 0.000 1.297 35 Y HN 0.094 nan 8.280 nan 0.000 0.467 36 P HA 0.163 nan 4.420 nan 0.000 0.276 36 P C -0.664 176.671 177.300 0.057 0.000 1.252 36 P CA -0.437 62.709 63.100 0.076 0.000 0.802 36 P CB 0.742 32.451 31.700 0.014 0.000 1.035 37 T N 1.402 115.960 114.554 0.007 0.000 2.908 37 T HA 0.088 4.438 4.350 -0.000 0.000 0.301 37 T C 1.267 175.954 174.700 -0.022 0.000 1.019 37 T CA 0.636 62.731 62.100 -0.008 0.000 1.152 37 T CB -0.146 68.706 68.868 -0.027 0.000 0.966 37 T HN 0.296 nan 8.240 nan 0.000 0.540 38 I N 1.215 121.769 120.570 -0.027 0.000 4.046 38 I HA 0.270 4.440 4.170 -0.000 0.000 0.285 38 I C 1.352 177.447 176.117 -0.037 0.000 1.183 38 I CA -0.208 61.066 61.300 -0.044 0.000 1.337 38 I CB 0.033 37.984 38.000 -0.080 0.000 1.478 38 I HN 0.605 nan 8.210 nan 0.000 0.452 39 A N 3.805 126.605 122.820 -0.033 0.000 2.477 39 A HA 0.345 4.665 4.320 -0.000 0.000 0.246 39 A C -2.200 175.385 177.584 0.002 0.000 1.078 39 A CA -0.850 51.178 52.037 -0.016 0.000 0.770 39 A CB -0.813 18.179 19.000 -0.013 0.000 1.011 39 A HN 0.046 nan 8.150 nan 0.000 0.494 40 P HA 0.172 nan 4.420 nan 0.000 0.266 40 P C -2.649 174.671 177.300 0.034 0.000 1.195 40 P CA -0.956 62.162 63.100 0.030 0.000 0.768 40 P CB -0.517 31.207 31.700 0.040 0.000 0.838 41 P HA 0.099 nan 4.420 nan 0.000 0.260 41 P C -0.560 176.830 177.300 0.150 0.000 1.185 41 P CA 0.760 63.889 63.100 0.048 0.000 0.763 41 P CB -0.004 31.687 31.700 -0.015 0.000 0.776 42 A N 3.590 126.473 122.820 0.105 0.000 2.342 42 A HA 0.632 4.952 4.320 -0.000 0.000 0.323 42 A C -0.771 176.894 177.584 0.134 0.000 1.125 42 A CA -0.588 51.531 52.037 0.137 0.000 0.785 42 A CB 1.236 20.272 19.000 0.061 0.000 1.221 42 A HN 0.320 nan 8.150 nan 0.000 0.463 43 V N 1.852 121.891 119.914 0.207 0.000 2.495 43 V HA 0.580 4.700 4.120 -0.000 0.000 0.298 43 V C -0.121 176.039 176.094 0.110 0.000 1.031 43 V CA -0.377 62.011 62.300 0.146 0.000 0.871 43 V CB 1.894 33.830 31.823 0.189 0.000 0.988 43 V HN 0.930 nan 8.190 nan 0.000 0.432 44 T N 5.714 120.314 114.554 0.076 0.000 2.779 44 T HA 0.607 4.957 4.350 -0.000 0.000 0.280 44 T C -0.186 174.551 174.700 0.062 0.000 0.987 44 T CA -0.204 61.938 62.100 0.070 0.000 0.966 44 T CB 0.978 69.890 68.868 0.072 0.000 0.933 44 T HN 0.428 nan 8.240 nan 0.000 0.442 45 I N 2.729 123.335 120.570 0.060 0.000 2.291 45 I HA 0.286 4.456 4.170 -0.000 0.000 0.292 45 I C 0.554 176.706 176.117 0.059 0.000 1.064 45 I CA -0.376 60.956 61.300 0.054 0.000 1.269 45 I CB 0.553 38.582 38.000 0.048 0.000 1.418 45 I HN 0.475 nan 8.210 nan 0.000 0.485 46 S N 4.560 120.295 115.700 0.059 0.000 2.617 46 S HA 0.866 5.336 4.470 -0.000 0.000 0.283 46 S C -0.046 174.590 174.600 0.061 0.000 1.189 46 S CA -0.513 57.726 58.200 0.065 0.000 1.036 46 S CB 1.870 65.110 63.200 0.067 0.000 1.014 46 S HN 0.781 nan 8.310 nan 0.000 0.522 47 A N 1.540 124.402 122.820 0.070 0.000 2.612 47 A HA 0.810 5.130 4.320 -0.000 0.000 0.293 47 A C -1.063 176.575 177.584 0.091 0.000 1.075 47 A CA -0.811 51.268 52.037 0.071 0.000 0.680 47 A CB 1.400 20.440 19.000 0.067 0.000 1.279 47 A HN 1.031 nan 8.150 nan 0.000 0.411 48 S N 0.006 115.765 115.700 0.098 0.000 2.677 48 S HA 0.563 5.033 4.470 -0.000 0.000 0.283 48 S C -1.252 173.456 174.600 0.181 0.000 1.159 48 S CA -0.359 57.922 58.200 0.134 0.000 1.001 48 S CB 0.856 64.124 63.200 0.114 0.000 1.032 48 S HN 1.055 nan 8.310 nan 0.000 0.487 49 Y N 4.960 125.304 120.300 0.072 0.000 2.595 49 Y HA 0.381 4.931 4.550 -0.000 0.000 0.336 49 Y C -2.342 173.609 175.900 0.085 0.000 0.996 49 Y CA -2.764 55.382 58.100 0.078 0.000 1.260 49 Y CB 1.102 39.598 38.460 0.061 0.000 1.108 49 Y HN 0.508 nan 8.280 nan 0.000 0.509 50 P HA 0.032 nan 4.420 nan 0.000 0.265 50 P C 0.744 178.181 177.300 0.229 0.000 1.193 50 P CA 1.630 64.889 63.100 0.265 0.000 0.765 50 P CB 1.227 33.093 31.700 0.276 0.000 0.823 51 G N 1.753 110.628 108.800 0.125 0.000 2.284 51 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.247 51 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.247 51 G C 0.448 175.323 174.900 -0.041 0.000 1.012 51 G CA 0.185 45.323 45.100 0.064 0.000 0.618 51 G HN 0.892 nan 8.290 nan 0.000 0.521 52 A N 1.098 123.839 122.820 -0.132 0.000 2.386 52 A HA 0.538 4.858 4.320 -0.000 0.000 0.248 52 A C 0.581 178.082 177.584 -0.137 0.000 1.082 52 A CA 0.625 52.479 52.037 -0.304 0.000 0.789 52 A CB 0.205 18.830 19.000 -0.624 0.000 1.025 52 A HN 0.759 nan 8.150 nan 0.000 0.490 53 D N 0.333 120.648 120.400 -0.142 0.000 2.440 53 D HA 0.459 5.099 4.640 -0.000 0.000 0.258 53 D C 1.030 177.295 176.300 -0.058 0.000 1.092 53 D CA 0.054 54.009 54.000 -0.075 0.000 1.016 53 D CB 1.500 42.255 40.800 -0.076 0.000 1.141 53 D HN 0.422 nan 8.370 nan 0.000 0.552 54 A N 0.476 123.276 122.820 -0.033 0.000 1.917 54 A HA -0.269 4.051 4.320 -0.000 0.000 0.219 54 A C 2.081 179.648 177.584 -0.028 0.000 1.182 54 A CA 2.093 54.118 52.037 -0.020 0.000 0.633 54 A CB -0.716 18.270 19.000 -0.022 0.000 0.819 54 A HN 0.692 nan 8.150 nan 0.000 0.448 55 K N -1.248 119.124 120.400 -0.048 0.000 2.116 55 K HA -0.086 4.234 4.320 -0.000 0.000 0.203 55 K C 1.921 178.500 176.600 -0.035 0.000 1.052 55 K CA 1.586 57.847 56.287 -0.042 0.000 0.952 55 K CB -0.230 32.239 32.500 -0.052 0.000 0.729 55 K HN 0.460 nan 8.250 nan 0.000 0.446 56 T N 1.200 115.712 114.554 -0.069 0.000 2.867 56 T HA -0.110 4.240 4.350 -0.000 0.000 0.268 56 T C 1.869 176.546 174.700 -0.039 0.000 1.057 56 T CA 1.473 63.516 62.100 -0.096 0.000 1.136 56 T CB -0.209 68.520 68.868 -0.231 0.000 0.874 56 T HN 0.248 nan 8.240 nan 0.000 0.466 57 V N 0.594 120.499 119.914 -0.016 0.000 2.283 57 V HA -0.166 3.954 4.120 -0.000 0.000 0.243 57 V C 2.500 178.642 176.094 0.079 0.000 1.039 57 V CA 1.666 64.016 62.300 0.082 0.000 1.016 57 V CB -1.210 30.668 31.823 0.091 0.000 0.650 57 V HN 0.351 nan 8.190 nan 0.000 0.449 58 Q N 0.537 120.364 119.800 0.045 0.000 2.045 58 Q HA -0.298 4.042 4.340 -0.000 0.000 0.206 58 Q C 1.831 177.858 176.000 0.045 0.000 0.991 58 Q CA 2.612 58.441 55.803 0.043 0.000 0.851 58 Q CB -0.274 28.480 28.738 0.028 0.000 0.911 58 Q HN 0.719 nan 8.270 nan 0.000 0.418 59 D N -1.046 119.376 120.400 0.038 0.000 2.349 59 D HA -0.006 4.634 4.640 -0.000 0.000 0.224 59 D C 0.939 177.271 176.300 0.054 0.000 1.029 59 D CA 0.657 54.679 54.000 0.037 0.000 0.879 59 D CB 0.356 41.170 40.800 0.023 0.000 0.906 59 D HN 0.193 nan 8.370 nan 0.000 0.528 60 T N -1.206 113.397 114.554 0.081 0.000 3.019 60 T HA 0.122 4.472 4.350 -0.000 0.000 0.247 60 T C 1.722 176.485 174.700 0.105 0.000 0.992 60 T CA 0.134 62.303 62.100 0.115 0.000 1.036 60 T CB 0.667 69.656 68.868 0.202 0.000 1.063 60 T HN -0.112 nan 8.240 nan 0.000 0.476 61 V N 0.543 120.524 119.914 0.110 0.000 2.870 61 V HA 0.048 4.168 4.120 -0.000 0.000 0.232 61 V C 2.572 178.705 176.094 0.064 0.000 1.161 61 V CA 1.120 63.472 62.300 0.087 0.000 1.204 61 V CB -0.719 31.170 31.823 0.111 0.000 1.003 61 V HN 0.323 nan 8.190 nan 0.000 0.499 62 T N 0.355 114.948 114.554 0.066 0.000 2.597 62 T HA -0.318 4.032 4.350 -0.000 0.000 0.267 62 T C 1.892 176.615 174.700 0.039 0.000 1.053 62 T CA 2.252 64.383 62.100 0.052 0.000 1.165 62 T CB -0.365 68.535 68.868 0.053 0.000 0.863 62 T HN 0.424 nan 8.240 nan 0.000 0.427 63 Q N 0.117 119.939 119.800 0.037 0.000 2.096 63 Q HA -0.092 4.248 4.340 -0.000 0.000 0.204 63 Q C 2.670 178.684 176.000 0.024 0.000 0.982 63 Q CA 1.306 57.126 55.803 0.028 0.000 0.850 63 Q CB -0.521 28.233 28.738 0.027 0.000 0.901 63 Q HN 0.376 nan 8.270 nan 0.000 0.422 64 V N 1.270 121.202 119.914 0.028 0.000 2.255 64 V HA -0.291 3.829 4.120 -0.000 0.000 0.247 64 V C 2.237 178.343 176.094 0.020 0.000 1.051 64 V CA 1.762 64.076 62.300 0.024 0.000 1.018 64 V CB -0.572 31.268 31.823 0.027 0.000 0.641 64 V HN 0.332 nan 8.190 nan 0.000 0.445 65 I N -0.236 120.348 120.570 0.024 0.000 2.127 65 I HA -0.298 3.872 4.170 -0.000 0.000 0.241 65 I C 2.622 178.747 176.117 0.014 0.000 1.075 65 I CA 1.909 63.221 61.300 0.021 0.000 1.334 65 I CB -0.539 37.477 38.000 0.027 0.000 1.040 65 I HN 0.386 nan 8.210 nan 0.000 0.405 66 E N 0.457 120.664 120.200 0.012 0.000 2.086 66 E HA -0.316 4.034 4.350 -0.000 0.000 0.200 66 E C 2.093 178.690 176.600 -0.004 0.000 1.012 66 E CA 1.389 57.788 56.400 -0.001 0.000 0.812 66 E CB -0.189 29.510 29.700 -0.001 0.000 0.743 66 E HN 0.543 nan 8.360 nan 0.000 0.453 67 Q N -0.169 119.632 119.800 0.002 0.000 2.561 67 Q HA -0.063 4.277 4.340 -0.000 0.000 0.217 67 Q C 1.118 177.119 176.000 0.001 0.000 0.980 67 Q CA 0.436 56.239 55.803 0.001 0.000 0.927 67 Q CB 0.111 28.852 28.738 0.005 0.000 0.980 67 Q HN 0.275 nan 8.270 nan 0.000 0.525 68 N N -0.956 117.746 118.700 0.003 0.000 2.257 68 N HA 0.071 4.811 4.740 -0.000 0.000 0.200 68 N C -0.152 175.361 175.510 0.006 0.000 1.163 68 N CA 0.011 53.064 53.050 0.005 0.000 0.891 68 N CB 0.597 39.089 38.487 0.009 0.000 1.067 68 N HN 0.189 nan 8.380 nan 0.000 0.497 69 M N 3.168 122.768 119.600 0.001 0.000 3.282 69 M HA 0.087 4.567 4.480 -0.000 0.000 0.242 69 M C -0.193 176.104 176.300 -0.005 0.000 1.568 69 M CA 0.499 55.800 55.300 0.001 0.000 1.668 69 M CB -1.821 30.772 32.600 -0.012 0.000 1.236 69 M HN 0.171 nan 8.290 nan 0.000 0.527 70 N N -1.072 117.631 118.700 0.006 0.000 2.416 70 N HA 0.568 5.308 4.740 -0.000 0.000 0.276 70 N C 0.371 175.890 175.510 0.015 0.000 1.261 70 N CA -0.291 52.762 53.050 0.005 0.000 0.790 70 N CB 1.819 40.305 38.487 -0.001 0.000 1.554 70 N HN 0.484 nan 8.380 nan 0.000 0.481 71 G N 0.358 109.168 108.800 0.016 0.000 2.160 71 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.251 71 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.251 71 G C -0.376 174.546 174.900 0.035 0.000 1.008 71 G CA 0.214 45.327 45.100 0.022 0.000 0.724 71 G HN 0.622 nan 8.290 nan 0.000 0.514 72 I N 1.301 121.903 120.570 0.052 0.000 2.336 72 I HA 0.269 4.439 4.170 -0.000 0.000 0.292 72 I C -0.098 176.092 176.117 0.121 0.000 0.991 72 I CA -0.973 60.385 61.300 0.097 0.000 1.227 72 I CB 0.990 39.078 38.000 0.148 0.000 1.366 72 I HN -0.037 nan 8.210 nan 0.000 0.466 73 D N 6.493 126.963 120.400 0.117 0.000 2.372 73 D HA 0.045 4.685 4.640 -0.000 0.000 0.243 73 D C 0.440 176.863 176.300 0.205 0.000 1.121 73 D CA 0.348 54.414 54.000 0.111 0.000 0.898 73 D CB 0.497 41.333 40.800 0.061 0.000 1.202 73 D HN 0.510 nan 8.370 nan 0.000 0.428 74 N N -0.117 118.674 118.700 0.151 0.000 2.741 74 N HA -0.213 4.527 4.740 -0.000 0.000 0.250 74 N C -0.284 175.334 175.510 0.179 0.000 1.115 74 N CA 0.206 53.361 53.050 0.175 0.000 0.724 74 N CB -1.540 37.056 38.487 0.183 0.000 1.090 74 N HN 0.328 nan 8.380 nan 0.000 0.558 75 L N 0.645 121.877 121.223 0.015 0.000 2.410 75 L HA 0.204 4.544 4.340 -0.000 0.000 0.273 75 L C 1.623 178.343 176.870 -0.250 0.000 1.144 75 L CA 0.474 55.112 54.840 -0.337 0.000 0.863 75 L CB 0.528 42.382 42.059 -0.341 0.000 1.140 75 L HN 0.186 nan 8.230 nan 0.000 0.463 76 M N 4.294 123.660 119.600 -0.390 0.000 2.276 76 M HA 0.100 4.580 4.480 -0.000 0.000 0.262 76 M C -0.799 175.340 176.300 -0.269 0.000 1.098 76 M CA 0.880 56.005 55.300 -0.292 0.000 1.167 76 M CB 0.281 32.595 32.600 -0.477 0.000 1.337 76 M HN 0.690 nan 8.290 nan 0.000 0.446 77 Y N -3.068 117.006 120.300 -0.376 0.000 2.741 77 Y HA 0.623 5.173 4.550 -0.000 0.000 0.339 77 Y C -1.249 174.397 175.900 -0.424 0.000 1.226 77 Y CA -2.125 55.723 58.100 -0.419 0.000 1.072 77 Y CB 0.776 38.969 38.460 -0.445 0.000 1.331 77 Y HN 0.018 nan 8.280 nan 0.000 0.453 78 M N 2.731 122.200 119.600 -0.219 0.000 2.518 78 M HA 0.813 5.293 4.480 -0.000 0.000 0.300 78 M C -1.393 174.799 176.300 -0.180 0.000 1.175 78 M CA -0.369 54.817 55.300 -0.191 0.000 0.890 78 M CB 2.204 34.683 32.600 -0.201 0.000 1.710 78 M HN 1.137 nan 8.290 nan 0.000 0.453 79 S N 1.841 117.537 115.700 -0.007 0.000 2.570 79 S HA 0.928 5.398 4.470 -0.000 0.000 0.270 79 S C -1.328 173.321 174.600 0.080 0.000 1.149 79 S CA -0.296 57.957 58.200 0.089 0.000 0.837 79 S CB 1.866 65.221 63.200 0.260 0.000 1.124 79 S HN 1.037 nan 8.310 nan 0.000 0.465 80 S N 1.201 116.956 115.700 0.092 0.000 2.550 80 S HA 0.690 5.160 4.470 -0.000 0.000 0.270 80 S C -1.750 172.901 174.600 0.085 0.000 1.145 80 S CA -0.991 57.256 58.200 0.079 0.000 0.852 80 S CB 1.302 64.536 63.200 0.057 0.000 1.119 80 S HN 0.752 nan 8.310 nan 0.000 0.465 81 N N 0.650 119.400 118.700 0.082 0.000 2.404 81 N HA 0.675 5.415 4.740 -0.000 0.000 0.297 81 N C -1.332 174.221 175.510 0.072 0.000 1.163 81 N CA -0.717 52.381 53.050 0.079 0.000 0.864 81 N CB 1.982 40.519 38.487 0.084 0.000 1.247 81 N HN 0.655 nan 8.380 nan 0.000 0.510 82 S N 0.602 116.340 115.700 0.063 0.000 2.746 82 S HA 0.290 4.760 4.470 -0.000 0.000 0.273 82 S C -1.242 173.387 174.600 0.047 0.000 1.172 82 S CA -0.790 57.443 58.200 0.056 0.000 1.116 82 S CB 0.836 64.064 63.200 0.046 0.000 1.057 82 S HN 0.361 nan 8.310 nan 0.000 0.483 83 D N 1.739 122.171 120.400 0.054 0.000 2.253 83 D HA 0.290 4.930 4.640 -0.000 0.000 0.249 83 D C 0.812 177.132 176.300 0.034 0.000 1.049 83 D CA -0.376 53.653 54.000 0.048 0.000 0.929 83 D CB 0.962 41.798 40.800 0.060 0.000 1.176 83 D HN 0.426 nan 8.370 nan 0.000 0.437 84 S N -1.433 114.283 115.700 0.027 0.000 2.763 84 S HA 0.007 4.477 4.470 -0.000 0.000 0.237 84 S C 0.954 175.574 174.600 0.032 0.000 0.966 84 S CA -0.292 57.918 58.200 0.017 0.000 1.017 84 S CB -0.773 62.435 63.200 0.012 0.000 0.780 84 S HN 0.495 nan 8.310 nan 0.000 0.476 85 T N -3.460 111.121 114.554 0.046 0.000 3.092 85 T HA 0.535 4.885 4.350 -0.000 0.000 0.258 85 T C 1.453 176.195 174.700 0.070 0.000 1.031 85 T CA 0.229 62.364 62.100 0.059 0.000 0.925 85 T CB -0.062 68.845 68.868 0.066 0.000 1.036 85 T HN 1.016 nan 8.240 nan 0.000 0.544 86 G N 1.813 110.651 108.800 0.063 0.000 2.159 86 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.256 86 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.256 86 G C 0.203 175.176 174.900 0.122 0.000 0.977 86 G CA 0.326 45.480 45.100 0.089 0.000 0.652 86 G HN 1.198 nan 8.290 nan 0.000 0.531 87 T N -2.054 112.560 114.554 0.099 0.000 2.902 87 T HA 0.741 5.091 4.350 -0.000 0.000 0.283 87 T C -0.300 174.458 174.700 0.096 0.000 1.009 87 T CA -0.527 61.635 62.100 0.103 0.000 1.051 87 T CB 2.966 71.892 68.868 0.097 0.000 0.999 87 T HN 0.816 nan 8.240 nan 0.000 0.474 88 V N 2.724 122.696 119.914 0.096 0.000 2.540 88 V HA 0.486 4.606 4.120 -0.000 0.000 0.302 88 V C -0.364 175.781 176.094 0.084 0.000 1.035 88 V CA -0.779 61.573 62.300 0.087 0.000 0.873 88 V CB 1.667 33.541 31.823 0.085 0.000 0.992 88 V HN 0.943 nan 8.190 nan 0.000 0.428 89 Q N 4.180 124.030 119.800 0.084 0.000 2.309 89 Q HA 0.613 4.953 4.340 -0.000 0.000 0.270 89 Q C -1.384 174.663 176.000 0.077 0.000 1.023 89 Q CA -0.415 55.439 55.803 0.085 0.000 0.758 89 Q CB 2.574 31.372 28.738 0.101 0.000 1.247 89 Q HN 0.683 nan 8.270 nan 0.000 0.455 90 I N 2.084 122.694 120.570 0.067 0.000 2.382 90 I HA 0.297 4.467 4.170 -0.000 0.000 0.286 90 I C -0.222 175.926 176.117 0.053 0.000 1.002 90 I CA -0.413 60.919 61.300 0.054 0.000 1.135 90 I CB 1.963 39.987 38.000 0.039 0.000 1.288 90 I HN 0.327 nan 8.210 nan 0.000 0.448 91 T N 7.462 122.049 114.554 0.055 0.000 2.758 91 T HA 0.566 4.916 4.350 -0.000 0.000 0.285 91 T C -0.300 174.395 174.700 -0.008 0.000 0.981 91 T CA -0.381 61.748 62.100 0.050 0.000 0.965 91 T CB 0.763 69.679 68.868 0.082 0.000 0.927 91 T HN 0.182 nan 8.240 nan 0.000 0.448 92 L N 3.974 125.169 121.223 -0.048 0.000 2.280 92 L HA 0.417 4.757 4.340 -0.000 0.000 0.287 92 L C 0.625 177.284 176.870 -0.352 0.000 1.023 92 L CA -0.424 54.269 54.840 -0.244 0.000 0.819 92 L CB 1.245 43.154 42.059 -0.250 0.000 1.212 92 L HN 0.558 nan 8.230 nan 0.000 0.420 93 T N 2.859 117.068 114.554 -0.576 0.000 2.837 93 T HA 0.631 4.981 4.350 -0.000 0.000 0.285 93 T C -0.345 173.921 174.700 -0.722 0.000 0.984 93 T CA -0.198 61.568 62.100 -0.557 0.000 1.049 93 T CB 0.570 68.918 68.868 -0.867 0.000 0.947 93 T HN 0.035 nan 8.240 nan 0.000 0.472 94 F N 0.896 120.701 119.950 -0.242 0.000 2.523 94 F HA 0.376 4.903 4.527 -0.000 0.000 0.329 94 F C 0.951 176.686 175.800 -0.109 0.000 1.061 94 F CA -1.388 56.517 58.000 -0.158 0.000 0.967 94 F CB 0.828 39.770 39.000 -0.098 0.000 1.218 94 F HN 0.385 nan 8.300 nan 0.000 0.480 95 E N 0.545 120.823 120.200 0.131 0.000 2.481 95 E HA -0.022 4.328 4.350 -0.000 0.000 0.263 95 E C -0.159 176.500 176.600 0.099 0.000 0.992 95 E CA 0.069 56.534 56.400 0.109 0.000 0.938 95 E CB 0.377 30.142 29.700 0.108 0.000 0.933 95 E HN 0.450 nan 8.360 nan 0.000 0.453 96 S N 0.906 116.660 115.700 0.090 0.000 2.573 96 S HA 0.187 4.657 4.470 -0.000 0.000 0.297 96 S C 1.295 175.923 174.600 0.048 0.000 1.280 96 S CA 0.989 59.228 58.200 0.066 0.000 1.061 96 S CB 0.240 63.483 63.200 0.072 0.000 0.812 96 S HN 0.751 nan 8.310 nan 0.000 0.500 97 G N 2.928 111.742 108.800 0.023 0.000 2.195 97 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.246 97 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.246 97 G C 0.225 175.124 174.900 -0.003 0.000 0.984 97 G CA 0.137 45.241 45.100 0.006 0.000 0.633 97 G HN 0.778 nan 8.290 nan 0.000 0.525 98 T N 1.923 116.480 114.554 0.004 0.000 2.928 98 T HA 0.328 4.678 4.350 -0.000 0.000 0.305 98 T C 0.218 174.872 174.700 -0.076 0.000 1.035 98 T CA 0.400 62.483 62.100 -0.029 0.000 1.145 98 T CB 1.222 70.079 68.868 -0.018 0.000 0.963 98 T HN 0.305 nan 8.240 nan 0.000 0.545 99 D N 1.750 122.095 120.400 -0.092 0.000 2.382 99 D HA 0.133 4.773 4.640 -0.000 0.000 0.259 99 D C 1.064 177.263 176.300 -0.167 0.000 1.224 99 D CA -0.206 53.732 54.000 -0.104 0.000 0.894 99 D CB 0.892 41.641 40.800 -0.085 0.000 1.127 99 D HN 0.592 nan 8.370 nan 0.000 0.487 100 A N 4.733 127.465 122.820 -0.147 0.000 1.898 100 A HA -0.184 4.136 4.320 -0.000 0.000 0.216 100 A C 1.793 179.268 177.584 -0.182 0.000 1.181 100 A CA 1.111 53.039 52.037 -0.182 0.000 0.620 100 A CB -0.058 18.873 19.000 -0.114 0.000 0.819 100 A HN 0.599 nan 8.150 nan 0.000 0.442 101 D N -0.104 120.220 120.400 -0.127 0.000 2.104 101 D HA -0.143 4.497 4.640 -0.000 0.000 0.194 101 D C 1.789 178.017 176.300 -0.119 0.000 0.994 101 D CA 1.312 55.250 54.000 -0.103 0.000 0.830 101 D CB -0.298 40.458 40.800 -0.072 0.000 0.959 101 D HN 0.347 nan 8.370 nan 0.000 0.452 102 I N 1.574 122.066 120.570 -0.129 0.000 2.179 102 I HA -0.227 3.943 4.170 -0.000 0.000 0.242 102 I C 2.494 178.493 176.117 -0.196 0.000 1.088 102 I CA 0.925 62.147 61.300 -0.130 0.000 1.357 102 I CB -0.756 37.181 38.000 -0.106 0.000 1.051 102 I HN -0.096 nan 8.210 nan 0.000 0.409 103 A N -0.609 122.005 122.820 -0.343 0.000 1.892 103 A HA -0.337 3.983 4.320 -0.000 0.000 0.218 103 A C 2.355 179.716 177.584 -0.372 0.000 1.188 103 A CA 2.226 53.888 52.037 -0.626 0.000 0.631 103 A CB -0.850 17.369 19.000 -1.302 0.000 0.822 103 A HN 0.555 nan 8.150 nan 0.000 0.447 104 Q N -0.836 118.814 119.800 -0.250 0.000 2.050 104 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 104 Q C 2.137 178.098 176.000 -0.065 0.000 0.980 104 Q CA 1.754 57.488 55.803 -0.116 0.000 0.840 104 Q CB -0.268 28.418 28.738 -0.087 0.000 0.898 104 Q HN 0.462 nan 8.270 nan 0.000 0.424 105 V N 0.955 120.826 119.914 -0.072 0.000 2.332 105 V HA -0.317 3.803 4.120 -0.000 0.000 0.248 105 V C 2.141 178.218 176.094 -0.028 0.000 1.055 105 V CA 2.028 64.302 62.300 -0.043 0.000 1.038 105 V CB -0.302 31.495 31.823 -0.043 0.000 0.651 105 V HN 0.472 nan 8.190 nan 0.000 0.450 106 Q N -0.887 118.890 119.800 -0.038 0.000 2.061 106 Q HA -0.194 4.146 4.340 -0.000 0.000 0.204 106 Q C 2.277 178.292 176.000 0.025 0.000 0.984 106 Q CA 2.166 57.965 55.803 -0.006 0.000 0.846 106 Q CB -0.427 28.309 28.738 -0.004 0.000 0.902 106 Q HN 0.595 nan 8.270 nan 0.000 0.421 107 V N 0.976 120.915 119.914 0.041 0.000 2.287 107 V HA -0.316 3.804 4.120 -0.000 0.000 0.248 107 V C 2.344 178.462 176.094 0.039 0.000 1.053 107 V CA 2.264 64.606 62.300 0.071 0.000 1.027 107 V CB -0.557 31.334 31.823 0.114 0.000 0.646 107 V HN 0.398 nan 8.190 nan 0.000 0.447 108 Q N 0.878 120.690 119.800 0.020 0.000 2.119 108 Q HA -0.187 4.153 4.340 -0.000 0.000 0.201 108 Q C 1.860 177.867 176.000 0.012 0.000 0.972 108 Q CA 2.142 57.954 55.803 0.014 0.000 0.847 108 Q CB -0.191 28.549 28.738 0.004 0.000 0.903 108 Q HN 0.939 nan 8.270 nan 0.000 0.433 109 N N -1.707 116.998 118.700 0.009 0.000 2.353 109 N HA -0.009 4.731 4.740 -0.000 0.000 0.185 109 N C 1.142 176.659 175.510 0.011 0.000 1.098 109 N CA -0.187 52.867 53.050 0.007 0.000 0.872 109 N CB 0.212 38.700 38.487 0.002 0.000 0.970 109 N HN -0.039 nan 8.380 nan 0.000 0.467 110 K N 1.572 121.982 120.400 0.017 0.000 2.062 110 K HA 0.006 4.326 4.320 -0.000 0.000 0.205 110 K C 2.062 178.671 176.600 0.017 0.000 1.051 110 K CA 0.327 56.625 56.287 0.018 0.000 0.941 110 K CB -0.611 31.904 32.500 0.025 0.000 0.719 110 K HN 0.234 nan 8.250 nan 0.000 0.440 111 L N 1.604 122.839 121.223 0.020 0.000 2.042 111 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 111 L C 2.204 179.082 176.870 0.013 0.000 1.076 111 L CA 1.839 56.690 54.840 0.018 0.000 0.749 111 L CB -0.665 41.408 42.059 0.022 0.000 0.893 111 L HN 0.275 nan 8.230 nan 0.000 0.432 112 Q N -0.236 119.570 119.800 0.011 0.000 2.112 112 Q HA -0.215 4.125 4.340 -0.000 0.000 0.206 112 Q C 2.124 178.127 176.000 0.006 0.000 0.987 112 Q CA 2.058 57.865 55.803 0.007 0.000 0.858 112 Q CB -0.144 28.598 28.738 0.006 0.000 0.905 112 Q HN 0.609 nan 8.270 nan 0.000 0.420 113 L N -0.806 120.421 121.223 0.007 0.000 2.599 113 L HA 0.086 4.426 4.340 -0.000 0.000 0.230 113 L C 1.482 178.355 176.870 0.006 0.000 1.141 113 L CA 0.277 55.120 54.840 0.006 0.000 0.877 113 L CB 0.033 42.095 42.059 0.006 0.000 1.009 113 L HN 0.169 nan 8.230 nan 0.000 0.447 114 A N -1.337 121.488 122.820 0.008 0.000 2.324 114 A HA 0.134 4.454 4.320 -0.000 0.000 0.220 114 A C 2.134 179.722 177.584 0.006 0.000 1.209 114 A CA -0.153 51.889 52.037 0.008 0.000 0.918 114 A CB 0.101 19.108 19.000 0.011 0.000 0.959 114 A HN 0.106 nan 8.150 nan 0.000 0.507 115 M N 0.356 119.958 119.600 0.004 0.000 2.082 115 M HA -0.100 4.380 4.480 -0.000 0.000 0.258 115 M C -0.890 175.407 176.300 -0.004 0.000 1.069 115 M CA 1.679 56.979 55.300 0.000 0.000 1.102 115 M CB -2.262 30.338 32.600 0.000 0.000 1.336 115 M HN 0.111 nan 8.290 nan 0.000 0.404 116 P HA -0.021 nan 4.420 nan 0.000 0.239 116 P C 1.012 178.310 177.300 -0.003 0.000 1.184 116 P CA 0.803 63.901 63.100 -0.005 0.000 0.760 116 P CB -0.059 31.639 31.700 -0.003 0.000 0.884 117 L N -2.264 118.959 121.223 -0.000 0.000 2.640 117 L HA 0.192 4.532 4.340 -0.000 0.000 0.230 117 L C 0.710 177.583 176.870 0.005 0.000 1.123 117 L CA 0.435 55.277 54.840 0.004 0.000 0.900 117 L CB -0.665 41.398 42.059 0.008 0.000 1.146 117 L HN -0.080 nan 8.230 nan 0.000 0.484 118 L N 0.593 121.813 121.223 -0.004 0.000 2.331 118 L HA 0.491 4.831 4.340 -0.000 0.000 0.275 118 L C -2.016 174.830 176.870 -0.040 0.000 1.022 118 L CA -1.992 52.840 54.840 -0.013 0.000 0.812 118 L CB 0.957 43.006 42.059 -0.017 0.000 1.257 118 L HN -0.147 nan 8.230 nan 0.000 0.435 119 P HA -0.002 nan 4.420 nan 0.000 0.268 119 P C -0.132 177.081 177.300 -0.144 0.000 1.208 119 P CA -0.247 62.790 63.100 -0.104 0.000 0.777 119 P CB 0.698 32.299 31.700 -0.165 0.000 0.875 120 Q N 1.788 121.527 119.800 -0.103 0.000 2.045 120 Q HA -0.223 4.117 4.340 -0.000 0.000 0.206 120 Q C 1.746 177.677 176.000 -0.115 0.000 0.991 120 Q CA 2.053 57.804 55.803 -0.087 0.000 0.851 120 Q CB -0.517 28.185 28.738 -0.060 0.000 0.911 120 Q HN 0.558 nan 8.270 nan 0.000 0.418 121 E N 0.099 120.200 120.200 -0.165 0.000 2.130 121 E HA -0.148 4.202 4.350 -0.000 0.000 0.196 121 E C 2.100 178.592 176.600 -0.181 0.000 0.998 121 E CA 1.200 57.503 56.400 -0.161 0.000 0.806 121 E CB -0.261 29.321 29.700 -0.198 0.000 0.738 121 E HN 0.105 nan 8.360 nan 0.000 0.459 122 V N 0.405 120.130 119.914 -0.315 0.000 2.407 122 V HA -0.223 3.896 4.120 -0.000 0.000 0.245 122 V C 2.198 178.250 176.094 -0.071 0.000 1.041 122 V CA 1.642 63.822 62.300 -0.201 0.000 1.040 122 V CB -0.411 31.268 31.823 -0.241 0.000 0.671 122 V HN 0.239 nan 8.190 nan 0.000 0.455 123 Q N 0.100 119.858 119.800 -0.070 0.000 2.124 123 Q HA -0.269 4.071 4.340 -0.000 0.000 0.202 123 Q C 2.363 178.367 176.000 0.006 0.000 0.977 123 Q CA 1.970 57.757 55.803 -0.027 0.000 0.850 123 Q CB -0.113 28.605 28.738 -0.033 0.000 0.901 123 Q HN 0.850 nan 8.270 nan 0.000 0.429 124 Q N -0.529 119.281 119.800 0.016 0.000 2.331 124 Q HA -0.141 4.199 4.340 -0.000 0.000 0.203 124 Q C 1.743 177.862 176.000 0.198 0.000 0.944 124 Q CA 0.809 56.660 55.803 0.080 0.000 0.892 124 Q CB 0.011 28.755 28.738 0.010 0.000 0.983 124 Q HN 0.143 nan 8.270 nan 0.000 0.482 125 Q N 1.240 121.125 119.800 0.142 0.000 2.049 125 Q HA 0.153 4.493 4.340 -0.000 0.000 0.198 125 Q C 0.349 176.388 176.000 0.066 0.000 0.971 125 Q CA 1.716 57.590 55.803 0.118 0.000 0.833 125 Q CB 0.134 28.930 28.738 0.096 0.000 0.896 125 Q HN 0.552 nan 8.270 nan 0.000 0.434 126 G N -1.951 106.879 108.800 0.050 0.000 2.428 126 G HA2 0.110 4.070 3.960 -0.000 0.000 0.681 126 G HA3 0.110 4.070 3.960 -0.000 0.000 0.681 126 G C -1.694 173.225 174.900 0.032 0.000 1.340 126 G CA -0.548 44.574 45.100 0.036 0.000 0.915 126 G HN 0.223 nan 8.290 nan 0.000 0.645 127 V N 0.758 120.689 119.914 0.028 0.000 2.569 127 V HA 0.667 4.787 4.120 -0.000 0.000 0.301 127 V C 0.361 176.472 176.094 0.029 0.000 1.044 127 V CA -0.646 61.672 62.300 0.030 0.000 0.874 127 V CB 1.747 33.585 31.823 0.026 0.000 1.002 127 V HN 1.017 nan 8.190 nan 0.000 0.424 128 S N 3.196 118.916 115.700 0.034 0.000 2.554 128 S HA 0.699 5.169 4.470 -0.000 0.000 0.278 128 S C -0.349 174.270 174.600 0.033 0.000 1.242 128 S CA -0.477 57.742 58.200 0.031 0.000 1.051 128 S CB 1.710 64.930 63.200 0.034 0.000 0.986 128 S HN 0.492 nan 8.310 nan 0.000 0.502 129 V N 3.599 123.529 119.914 0.027 0.000 2.447 129 V HA 0.449 4.569 4.120 -0.000 0.000 0.292 129 V C -0.386 175.721 176.094 0.020 0.000 1.021 129 V CA -0.447 61.870 62.300 0.028 0.000 0.850 129 V CB 1.448 33.286 31.823 0.025 0.000 1.005 129 V HN 0.868 nan 8.190 nan 0.000 0.426 130 E N 2.645 122.860 120.200 0.025 0.000 2.369 130 E HA 0.554 4.904 4.350 -0.000 0.000 0.270 130 E C -1.187 175.421 176.600 0.013 0.000 0.909 130 E CA -1.206 55.203 56.400 0.014 0.000 0.775 130 E CB 2.784 32.495 29.700 0.019 0.000 1.270 130 E HN 0.389 nan 8.360 nan 0.000 0.445 131 K N 0.415 120.811 120.400 -0.006 0.000 2.270 131 K HA 0.132 4.452 4.320 -0.000 0.000 0.276 131 K C 0.552 177.147 176.600 -0.008 0.000 1.023 131 K CA 0.191 56.472 56.287 -0.011 0.000 0.955 131 K CB 0.928 33.408 32.500 -0.033 0.000 0.975 131 K HN 0.294 nan 8.250 nan 0.000 0.471 132 S N 1.354 117.056 115.700 0.004 0.000 2.540 132 S HA -0.013 4.457 4.470 -0.000 0.000 0.218 132 S C -0.153 174.439 174.600 -0.015 0.000 0.977 132 S CA -0.174 58.033 58.200 0.011 0.000 0.918 132 S CB -0.171 63.054 63.200 0.042 0.000 0.806 132 S HN 0.612 nan 8.310 nan 0.000 0.496 133 S N 1.456 117.132 115.700 -0.041 0.000 2.560 133 S HA 0.129 4.598 4.470 -0.000 0.000 0.323 133 S C 0.637 175.155 174.600 -0.137 0.000 1.191 133 S CA -0.284 57.877 58.200 -0.064 0.000 1.231 133 S CB 0.226 63.391 63.200 -0.059 0.000 1.224 133 S HN 0.242 nan 8.310 nan 0.000 0.545 134 S N 3.381 119.018 115.700 -0.105 0.000 2.727 134 S HA 0.063 4.533 4.470 -0.000 0.000 0.226 134 S C 0.532 175.010 174.600 -0.204 0.000 0.963 134 S CA -0.148 57.952 58.200 -0.166 0.000 0.950 134 S CB -0.272 62.945 63.200 0.029 0.000 0.779 134 S HN 0.757 nan 8.310 nan 0.000 0.532 135 S N 2.278 117.886 115.700 -0.154 0.000 2.443 135 S HA 0.276 4.746 4.470 -0.000 0.000 0.284 135 S C -0.236 174.285 174.600 -0.133 0.000 1.206 135 S CA -0.089 58.092 58.200 -0.031 0.000 1.074 135 S CB -0.225 62.995 63.200 0.032 0.000 0.963 135 S HN 0.282 nan 8.310 nan 0.000 0.501 136 F N 2.896 122.967 119.950 0.202 0.000 2.408 136 F HA 0.290 4.817 4.527 0.000 0.000 0.344 136 F C 0.981 176.940 175.800 0.265 0.000 1.112 136 F CA -0.807 57.332 58.000 0.232 0.000 1.096 136 F CB 1.076 40.245 39.000 0.280 0.000 1.129 136 F HN 0.423 nan 8.300 nan 0.000 0.486 137 L N 3.648 125.064 121.223 0.321 0.000 2.093 137 L HA 0.119 4.459 4.340 -0.000 0.000 0.208 137 L C 0.213 177.151 176.870 0.114 0.000 1.085 137 L CA 1.694 56.643 54.840 0.182 0.000 0.755 137 L CB -0.150 41.981 42.059 0.119 0.000 0.904 137 L HN 0.649 nan 8.230 nan 0.000 0.435 138 M N -1.172 118.550 119.600 0.202 0.000 2.484 138 M HA 0.332 4.811 4.480 -0.000 0.000 0.292 138 M C -2.043 174.363 176.300 0.176 0.000 1.123 138 M CA -0.570 54.796 55.300 0.110 0.000 0.910 138 M CB 1.521 34.170 32.600 0.083 0.000 1.782 138 M HN -0.340 nan 8.290 nan 0.000 0.512 139 V N 4.378 124.401 119.914 0.181 0.000 2.417 139 V HA 0.564 4.684 4.120 -0.000 0.000 0.291 139 V C -0.580 175.512 176.094 -0.005 0.000 1.024 139 V CA -0.652 61.665 62.300 0.029 0.000 0.861 139 V CB 1.691 33.496 31.823 -0.030 0.000 0.985 139 V HN 0.646 nan 8.190 nan 0.000 0.436 140 V N 4.024 123.864 119.914 -0.122 0.000 2.370 140 V HA 0.658 4.778 4.120 -0.000 0.000 0.283 140 V C 0.761 176.717 176.094 -0.231 0.000 1.023 140 V CA -0.325 61.839 62.300 -0.226 0.000 0.857 140 V CB 1.633 33.316 31.823 -0.234 0.000 0.985 140 V HN 0.953 nan 8.190 nan 0.000 0.443 141 G N 3.763 112.412 108.800 -0.250 0.000 2.322 141 G HA2 0.562 4.522 3.960 -0.000 0.000 0.309 141 G HA3 0.562 4.522 3.960 -0.000 0.000 0.309 141 G C -0.864 173.901 174.900 -0.225 0.000 1.121 141 G CA -0.328 44.693 45.100 -0.131 0.000 0.886 141 G HN 0.536 nan 8.290 nan 0.000 0.447 142 V N 4.079 123.915 119.914 -0.131 0.000 2.417 142 V HA 0.597 4.716 4.120 -0.000 0.000 0.291 142 V C 0.272 176.281 176.094 -0.141 0.000 1.024 142 V CA -0.549 61.638 62.300 -0.189 0.000 0.861 142 V CB 0.888 32.601 31.823 -0.183 0.000 0.985 142 V HN 0.795 nan 8.190 nan 0.000 0.436 143 I N 1.616 122.074 120.570 -0.187 0.000 2.934 143 I HA 0.651 4.821 4.170 -0.000 0.000 0.306 143 I C -0.815 175.229 176.117 -0.122 0.000 1.110 143 I CA -0.709 60.517 61.300 -0.124 0.000 1.019 143 I CB 2.522 40.454 38.000 -0.113 0.000 1.227 143 I HN 0.535 nan 8.210 nan 0.000 0.434 144 N N 2.390 121.045 118.700 -0.076 0.000 2.446 144 N HA 0.221 4.961 4.740 -0.000 0.000 0.265 144 N C 0.314 175.806 175.510 -0.030 0.000 0.975 144 N CA -0.094 52.915 53.050 -0.068 0.000 0.928 144 N CB 1.791 40.240 38.487 -0.063 0.000 1.160 144 N HN 0.917 nan 8.380 nan 0.000 0.495 145 T N -0.007 114.532 114.554 -0.025 0.000 3.067 145 T HA 0.022 4.372 4.350 -0.000 0.000 0.257 145 T C 0.998 175.698 174.700 0.000 0.000 1.105 145 T CA 0.519 62.619 62.100 0.000 0.000 1.104 145 T CB 0.224 69.097 68.868 0.008 0.000 0.925 145 T HN 0.277 nan 8.240 nan 0.000 0.498 146 D N 2.150 122.545 120.400 -0.009 0.000 2.117 146 D HA 0.103 4.743 4.640 -0.000 0.000 0.198 146 D C 1.803 178.102 176.300 -0.000 0.000 0.982 146 D CA 1.846 55.843 54.000 -0.005 0.000 0.828 146 D CB -0.619 40.174 40.800 -0.011 0.000 0.967 146 D HN 0.657 nan 8.370 nan 0.000 0.464 147 G N -0.933 107.866 108.800 -0.002 0.000 2.140 147 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.211 147 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.211 147 G C 0.966 175.870 174.900 0.006 0.000 1.013 147 G CA 0.868 45.970 45.100 0.004 0.000 0.705 147 G HN 0.355 nan 8.290 nan 0.000 0.508 148 T N -0.005 114.550 114.554 0.003 0.000 2.980 148 T HA 0.371 4.721 4.350 -0.000 0.000 0.239 148 T C 1.496 176.207 174.700 0.019 0.000 1.011 148 T CA 1.124 63.230 62.100 0.010 0.000 1.171 148 T CB 0.004 68.874 68.868 0.004 0.000 0.873 148 T HN 0.767 nan 8.240 nan 0.000 0.431 149 M N 2.738 122.344 119.600 0.010 0.000 2.318 149 M HA 0.619 5.099 4.480 -0.000 0.000 0.347 149 M C 0.152 176.470 176.300 0.029 0.000 1.175 149 M CA -0.961 54.355 55.300 0.028 0.000 1.075 149 M CB 1.193 33.799 32.600 0.010 0.000 1.614 149 M HN 0.129 nan 8.290 nan 0.000 0.456 150 T N -0.657 113.933 114.554 0.060 0.000 2.810 150 T HA 0.203 4.553 4.350 -0.000 0.000 0.277 150 T C 1.061 175.790 174.700 0.048 0.000 0.973 150 T CA -0.053 62.083 62.100 0.061 0.000 0.949 150 T CB 0.888 69.815 68.868 0.098 0.000 1.075 150 T HN 0.927 nan 8.240 nan 0.000 0.537 151 Q N 0.074 119.899 119.800 0.041 0.000 2.170 151 Q HA -0.179 4.161 4.340 -0.000 0.000 0.203 151 Q C 1.657 177.668 176.000 0.018 0.000 0.976 151 Q CA 1.693 57.508 55.803 0.021 0.000 0.858 151 Q CB -0.431 28.317 28.738 0.017 0.000 0.907 151 Q HN 0.773 nan 8.270 nan 0.000 0.433 152 E N 1.671 121.905 120.200 0.056 0.000 2.058 152 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 152 E C 1.672 178.285 176.600 0.022 0.000 0.997 152 E CA 1.670 58.112 56.400 0.070 0.000 0.801 152 E CB -0.172 29.644 29.700 0.193 0.000 0.746 152 E HN 0.492 nan 8.360 nan 0.000 0.450 153 D N 0.066 120.532 120.400 0.110 0.000 2.097 153 D HA -0.121 4.519 4.640 -0.000 0.000 0.195 153 D C 2.058 178.325 176.300 -0.055 0.000 0.989 153 D CA 0.846 54.888 54.000 0.070 0.000 0.827 153 D CB -0.300 40.594 40.800 0.157 0.000 0.966 153 D HN 0.185 nan 8.370 nan 0.000 0.456 154 I N 0.888 121.439 120.570 -0.032 0.000 2.127 154 I HA -0.269 3.901 4.170 -0.000 0.000 0.241 154 I C 2.372 178.465 176.117 -0.040 0.000 1.075 154 I CA 0.988 62.263 61.300 -0.042 0.000 1.334 154 I CB -0.231 37.740 38.000 -0.047 0.000 1.040 154 I HN -0.105 nan 8.210 nan 0.000 0.405 155 S N 0.108 115.766 115.700 -0.070 0.000 2.383 155 S HA -0.265 4.205 4.470 -0.000 0.000 0.229 155 S C 1.669 176.183 174.600 -0.143 0.000 1.030 155 S CA 1.919 60.069 58.200 -0.083 0.000 1.002 155 S CB -0.409 62.749 63.200 -0.070 0.000 0.829 155 S HN 0.522 nan 8.310 nan 0.000 0.467 156 D N -0.184 120.049 120.400 -0.278 0.000 2.149 156 D HA -0.122 4.518 4.640 -0.000 0.000 0.201 156 D C 1.715 177.894 176.300 -0.202 0.000 0.972 156 D CA 0.801 54.574 54.000 -0.378 0.000 0.835 156 D CB -0.191 40.017 40.800 -0.987 0.000 0.966 156 D HN 0.457 nan 8.370 nan 0.000 0.476 157 Y N 0.287 120.452 120.300 -0.224 0.000 2.163 157 Y HA -0.145 4.405 4.550 0.000 0.000 0.288 157 Y C 2.164 178.005 175.900 -0.098 0.000 1.136 157 Y CA 1.304 59.331 58.100 -0.121 0.000 1.147 157 Y CB -0.352 38.052 38.460 -0.094 0.000 0.987 157 Y HN -0.113 nan 8.280 nan 0.000 0.509 158 V N 0.385 120.296 119.914 -0.004 0.000 2.392 158 V HA -0.377 3.743 4.120 -0.000 0.000 0.249 158 V C 2.597 178.609 176.094 -0.136 0.000 1.059 158 V CA 1.786 64.042 62.300 -0.072 0.000 1.051 158 V CB -1.517 30.270 31.823 -0.061 0.000 0.658 158 V HN 0.588 nan 8.190 nan 0.000 0.455 159 A N -0.059 122.679 122.820 -0.137 0.000 1.845 159 A HA -0.103 4.217 4.320 -0.000 0.000 0.215 159 A C 2.353 179.846 177.584 -0.152 0.000 1.195 159 A CA 2.157 54.116 52.037 -0.131 0.000 0.616 159 A CB -0.842 18.086 19.000 -0.119 0.000 0.832 159 A HN 0.588 nan 8.150 nan 0.000 0.443 160 A N -1.360 121.345 122.820 -0.191 0.000 2.067 160 A HA 0.020 4.340 4.320 -0.000 0.000 0.217 160 A C 1.447 178.885 177.584 -0.243 0.000 1.156 160 A CA 1.300 53.223 52.037 -0.189 0.000 0.683 160 A CB -0.158 18.744 19.000 -0.163 0.000 0.808 160 A HN 0.521 nan 8.150 nan 0.000 0.455 161 N N -2.433 116.052 118.700 -0.358 0.000 2.143 161 N HA 0.336 5.076 4.740 -0.000 0.000 0.229 161 N C 0.617 175.999 175.510 -0.214 0.000 1.294 161 N CA 0.217 53.040 53.050 -0.378 0.000 0.883 161 N CB 0.878 38.915 38.487 -0.750 0.000 1.148 161 N HN 0.426 nan 8.380 nan 0.000 0.511 162 M N -0.557 118.950 119.600 -0.156 0.000 1.943 162 M HA 0.116 4.596 4.480 -0.000 0.000 0.186 162 M C 1.792 178.053 176.300 -0.065 0.000 1.568 162 M CA 0.210 55.474 55.300 -0.060 0.000 0.920 162 M CB 0.682 33.273 32.600 -0.016 0.000 1.543 162 M HN -0.191 nan 8.290 nan 0.000 0.584 163 K N 1.241 121.590 120.400 -0.086 0.000 2.015 163 K HA -0.257 4.063 4.320 -0.000 0.000 0.216 163 K C 1.066 177.627 176.600 -0.066 0.000 1.052 163 K CA 2.776 59.015 56.287 -0.080 0.000 0.937 163 K CB -0.114 32.331 32.500 -0.091 0.000 0.719 163 K HN 0.186 nan 8.250 nan 0.000 0.446 164 D N 0.053 120.410 120.400 -0.071 0.000 2.106 164 D HA -0.201 4.439 4.640 -0.000 0.000 0.191 164 D C 1.848 178.117 176.300 -0.052 0.000 0.997 164 D CA 1.817 55.781 54.000 -0.061 0.000 0.834 164 D CB -0.526 40.233 40.800 -0.067 0.000 0.956 164 D HN 0.438 nan 8.370 nan 0.000 0.448 165 A N 0.136 122.922 122.820 -0.057 0.000 1.917 165 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 165 A C 2.290 179.856 177.584 -0.030 0.000 1.182 165 A CA 1.341 53.350 52.037 -0.047 0.000 0.633 165 A CB -0.790 18.179 19.000 -0.052 0.000 0.819 165 A HN 0.195 nan 8.150 nan 0.000 0.448 166 I N 0.603 121.158 120.570 -0.026 0.000 2.252 166 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 166 I C 2.851 178.958 176.117 -0.016 0.000 1.102 166 I CA 1.714 63.006 61.300 -0.014 0.000 1.385 166 I CB -0.211 37.779 38.000 -0.015 0.000 1.064 166 I HN 0.475 nan 8.210 nan 0.000 0.414 167 S N 0.629 116.314 115.700 -0.026 0.000 2.419 167 S HA -0.162 4.308 4.470 -0.000 0.000 0.233 167 S C 2.097 176.685 174.600 -0.020 0.000 1.016 167 S CA 0.803 58.989 58.200 -0.023 0.000 0.974 167 S CB -0.515 62.667 63.200 -0.030 0.000 0.786 167 S HN 0.403 nan 8.310 nan 0.000 0.492 168 R N 1.090 121.577 120.500 -0.023 0.000 2.276 168 R HA 0.112 4.452 4.340 -0.000 0.000 0.203 168 R C 0.200 176.490 176.300 -0.016 0.000 1.017 168 R CA 0.612 56.699 56.100 -0.021 0.000 1.010 168 R CB -0.418 29.865 30.300 -0.028 0.000 0.900 168 R HN 0.384 nan 8.270 nan 0.000 0.469 169 T N 1.437 115.984 114.554 -0.011 0.000 2.926 169 T HA 0.011 4.361 4.350 -0.000 0.000 0.307 169 T C 0.438 175.136 174.700 -0.003 0.000 1.059 169 T CA -0.160 61.937 62.100 -0.005 0.000 1.122 169 T CB 1.265 70.135 68.868 0.003 0.000 0.972 169 T HN 0.181 nan 8.240 nan 0.000 0.545 170 S N 1.577 117.276 115.700 -0.003 0.000 2.465 170 S HA 0.464 4.934 4.470 -0.000 0.000 0.280 170 S C 1.384 175.984 174.600 0.001 0.000 1.232 170 S CA -0.184 58.014 58.200 -0.003 0.000 1.066 170 S CB 0.110 63.308 63.200 -0.005 0.000 0.929 170 S HN 1.384 nan 8.310 nan 0.000 0.494 171 G N 1.822 110.623 108.800 0.001 0.000 2.176 171 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.232 171 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.232 171 G C -0.020 174.886 174.900 0.009 0.000 0.986 171 G CA -0.176 44.927 45.100 0.005 0.000 0.643 171 G HN 1.140 nan 8.290 nan 0.000 0.522 172 V N 1.403 121.322 119.914 0.008 0.000 2.427 172 V HA 0.564 4.684 4.120 -0.000 0.000 0.268 172 V C 1.553 177.649 176.094 0.004 0.000 1.046 172 V CA 0.950 63.256 62.300 0.011 0.000 0.970 172 V CB 1.146 32.974 31.823 0.009 0.000 1.001 172 V HN 0.558 nan 8.190 nan 0.000 0.476 173 G N 3.060 111.864 108.800 0.007 0.000 2.833 173 G HA2 0.158 4.118 3.960 -0.000 0.000 0.210 173 G HA3 0.158 4.118 3.960 -0.000 0.000 0.210 173 G C 0.183 175.078 174.900 -0.007 0.000 1.139 173 G CA 0.157 45.255 45.100 -0.003 0.000 0.771 173 G HN 0.650 nan 8.290 nan 0.000 0.535 174 D N -0.268 120.132 120.400 0.000 0.000 2.746 174 D HA 0.222 4.862 4.640 -0.000 0.000 0.211 174 D C -1.683 174.625 176.300 0.012 0.000 1.242 174 D CA -0.216 53.783 54.000 -0.002 0.000 0.790 174 D CB 2.343 43.135 40.800 -0.012 0.000 1.744 174 D HN -0.113 nan 8.370 nan 0.000 0.520 175 V N 3.542 123.452 119.914 -0.006 0.000 2.409 175 V HA 0.373 4.493 4.120 -0.000 0.000 0.290 175 V C -0.005 176.057 176.094 -0.054 0.000 1.017 175 V CA -0.706 61.575 62.300 -0.031 0.000 0.841 175 V CB 1.622 33.413 31.823 -0.053 0.000 1.003 175 V HN 0.477 nan 8.190 nan 0.000 0.426 176 Q N 4.038 123.792 119.800 -0.077 0.000 2.314 176 Q HA 0.497 4.837 4.340 -0.000 0.000 0.259 176 Q C -0.977 174.837 176.000 -0.310 0.000 0.951 176 Q CA -0.573 55.173 55.803 -0.096 0.000 0.909 176 Q CB 1.822 30.603 28.738 0.071 0.000 1.236 176 Q HN 0.749 nan 8.270 nan 0.000 0.444 177 L N 5.879 126.995 121.223 -0.179 0.000 2.313 177 L HA 0.262 4.602 4.340 -0.000 0.000 0.282 177 L C -0.897 175.944 176.870 -0.048 0.000 1.092 177 L CA -0.087 54.643 54.840 -0.184 0.000 0.831 177 L CB 0.169 42.173 42.059 -0.091 0.000 1.159 177 L HN 0.772 nan 8.230 nan 0.000 0.442 178 F N 5.300 125.206 119.950 -0.073 0.000 2.566 178 F HA 0.426 4.953 4.527 -0.000 0.000 0.349 178 F C 1.123 176.895 175.800 -0.047 0.000 1.245 178 F CA -0.123 57.834 58.000 -0.072 0.000 1.169 178 F CB 0.451 39.409 39.000 -0.070 0.000 1.470 178 F HN 0.712 nan 8.300 nan 0.000 0.634 179 G N 0.976 109.849 108.800 0.122 0.000 2.346 179 G HA2 0.097 4.057 3.960 -0.000 0.000 0.294 179 G HA3 0.097 4.057 3.960 -0.000 0.000 0.294 179 G C -1.620 173.273 174.900 -0.012 0.000 1.294 179 G CA -1.112 44.008 45.100 0.034 0.000 0.962 179 G HN 0.304 nan 8.290 nan 0.000 0.508 180 S N -0.087 115.585 115.700 -0.047 0.000 2.473 180 S HA 0.577 5.047 4.470 -0.000 0.000 0.307 180 S C 0.044 174.604 174.600 -0.068 0.000 1.094 180 S CA -0.503 57.664 58.200 -0.056 0.000 1.070 180 S CB 1.806 64.956 63.200 -0.083 0.000 1.019 180 S HN 0.795 nan 8.310 nan 0.000 0.480 181 Q N 1.684 121.452 119.800 -0.054 0.000 2.386 181 Q HA 0.059 4.399 4.340 -0.000 0.000 0.282 181 Q C -0.867 175.158 176.000 0.040 0.000 1.050 181 Q CA -0.032 55.737 55.803 -0.057 0.000 0.918 181 Q CB 0.251 28.970 28.738 -0.030 0.000 1.266 181 Q HN 0.598 nan 8.270 nan 0.000 0.423 182 Y N 0.709 121.036 120.300 0.045 0.000 2.890 182 Y HA 0.076 4.626 4.550 -0.000 0.000 0.341 182 Y C 0.383 176.368 175.900 0.141 0.000 1.269 182 Y CA 0.496 58.651 58.100 0.091 0.000 1.517 182 Y CB 0.250 38.791 38.460 0.135 0.000 1.314 182 Y HN 0.619 nan 8.280 nan 0.000 0.622 183 A N 3.694 126.717 122.820 0.339 0.000 2.414 183 A HA 0.613 4.933 4.320 -0.000 0.000 0.306 183 A C -0.781 176.867 177.584 0.106 0.000 1.054 183 A CA -1.048 51.160 52.037 0.285 0.000 0.724 183 A CB 1.077 20.245 19.000 0.280 0.000 1.267 183 A HN 0.695 nan 8.150 nan 0.000 0.418 184 M N 1.770 121.303 119.600 -0.110 0.000 2.364 184 M HA 0.319 4.799 4.480 -0.000 0.000 0.342 184 M C -0.062 175.984 176.300 -0.424 0.000 1.601 184 M CA 0.436 55.370 55.300 -0.610 0.000 1.156 184 M CB -0.592 31.122 32.600 -1.477 0.000 1.912 184 M HN 0.530 nan 8.290 nan 0.000 0.460 185 R N 5.005 125.281 120.500 -0.372 0.000 2.246 185 R HA 0.563 4.903 4.340 -0.000 0.000 0.332 185 R C -1.388 174.545 176.300 -0.610 0.000 0.974 185 R CA -0.064 55.737 56.100 -0.499 0.000 0.837 185 R CB 0.444 30.506 30.300 -0.397 0.000 1.145 185 R HN 0.777 nan 8.270 nan 0.000 0.467 186 I N 4.255 124.471 120.570 -0.590 0.000 2.371 186 I HA 0.285 4.454 4.170 -0.000 0.000 0.282 186 I C -0.670 175.267 176.117 -0.301 0.000 1.031 186 I CA -0.333 60.758 61.300 -0.348 0.000 1.180 186 I CB 0.862 38.744 38.000 -0.196 0.000 1.336 186 I HN 0.457 nan 8.210 nan 0.000 0.467 187 W N 7.415 128.738 121.300 0.039 0.000 2.311 187 W HA 0.505 5.165 4.660 -0.000 0.000 0.317 187 W C 0.059 176.633 176.519 0.091 0.000 1.065 187 W CA -0.694 56.688 57.345 0.060 0.000 1.364 187 W CB 0.517 30.000 29.460 0.038 0.000 1.233 187 W HN 0.243 nan 8.180 nan 0.000 0.409 188 M N 3.190 122.987 119.600 0.329 0.000 2.255 188 M HA 0.130 4.610 4.480 -0.000 0.000 0.336 188 M C 0.356 176.781 176.300 0.208 0.000 1.135 188 M CA 0.044 55.504 55.300 0.265 0.000 1.145 188 M CB 0.623 33.412 32.600 0.314 0.000 1.473 188 M HN 0.322 nan 8.290 nan 0.000 0.462 189 N N 3.121 121.839 118.700 0.030 0.000 2.479 189 N HA 0.311 5.051 4.740 -0.000 0.000 0.261 189 N C -2.226 173.014 175.510 -0.451 0.000 0.979 189 N CA -1.803 51.056 53.050 -0.317 0.000 0.930 189 N CB 1.976 40.354 38.487 -0.180 0.000 1.172 189 N HN 0.305 nan 8.380 nan 0.000 0.499 190 P HA -0.054 nan 4.420 nan 0.000 0.217 190 P C 0.689 177.678 177.300 -0.519 0.000 1.151 190 P CA 0.955 63.488 63.100 -0.946 0.000 0.828 190 P CB 0.650 31.210 31.700 -1.900 0.000 0.788 191 N N 0.897 119.282 118.700 -0.525 0.000 2.043 191 N HA -0.160 4.580 4.740 -0.000 0.000 0.193 191 N C 1.782 177.137 175.510 -0.258 0.000 1.037 191 N CA 1.369 54.230 53.050 -0.314 0.000 0.851 191 N CB -0.802 37.542 38.487 -0.238 0.000 1.027 191 N HN 0.363 nan 8.380 nan 0.000 0.422 192 E N 0.662 120.732 120.200 -0.218 0.000 2.106 192 E HA -0.062 4.288 4.350 -0.000 0.000 0.192 192 E C 2.163 178.753 176.600 -0.017 0.000 0.984 192 E CA 0.427 56.758 56.400 -0.115 0.000 0.806 192 E CB -0.107 29.603 29.700 0.016 0.000 0.750 192 E HN 0.295 nan 8.360 nan 0.000 0.458 193 L N 1.103 122.317 121.223 -0.014 0.000 2.017 193 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 193 L C 2.463 179.352 176.870 0.031 0.000 1.073 193 L CA 1.048 55.937 54.840 0.081 0.000 0.745 193 L CB -0.432 41.693 42.059 0.110 0.000 0.894 193 L HN 0.220 nan 8.230 nan 0.000 0.432 194 N N 0.160 118.810 118.700 -0.083 0.000 2.244 194 N HA -0.234 4.506 4.740 -0.000 0.000 0.183 194 N C 1.913 177.287 175.510 -0.226 0.000 1.016 194 N CA 0.846 53.794 53.050 -0.170 0.000 0.866 194 N CB 0.174 38.453 38.487 -0.346 0.000 0.980 194 N HN 0.237 nan 8.380 nan 0.000 0.430 195 K N -0.038 120.182 120.400 -0.301 0.000 2.057 195 K HA -0.092 4.228 4.320 -0.000 0.000 0.207 195 K C 0.756 177.064 176.600 -0.487 0.000 1.049 195 K CA 1.288 57.295 56.287 -0.467 0.000 0.931 195 K CB -0.025 32.063 32.500 -0.686 0.000 0.714 195 K HN 0.149 nan 8.250 nan 0.000 0.440 196 F N 1.034 120.957 119.950 -0.045 0.000 2.660 196 F HA 0.188 4.715 4.527 -0.000 0.000 0.302 196 F C -0.168 175.623 175.800 -0.015 0.000 1.103 196 F CA -0.324 57.661 58.000 -0.024 0.000 1.340 196 F CB 0.267 39.260 39.000 -0.012 0.000 1.048 196 F HN 0.024 nan 8.300 nan 0.000 0.551 197 Q N 0.727 120.571 119.800 0.075 0.000 2.478 197 Q HA -0.187 4.153 4.340 -0.000 0.000 0.286 197 Q C -0.840 175.221 176.000 0.100 0.000 1.299 197 Q CA 0.322 56.160 55.803 0.058 0.000 0.826 197 Q CB -1.990 26.775 28.738 0.045 0.000 1.199 197 Q HN 0.487 nan 8.270 nan 0.000 0.451 198 L N -0.442 120.859 121.223 0.130 0.000 2.323 198 L HA 0.753 5.093 4.340 -0.000 0.000 0.265 198 L C 0.639 177.609 176.870 0.168 0.000 1.012 198 L CA -0.710 54.213 54.840 0.139 0.000 0.820 198 L CB 1.993 44.138 42.059 0.142 0.000 1.334 198 L HN 0.168 nan 8.230 nan 0.000 0.427 199 T N -3.378 111.276 114.554 0.167 0.000 2.930 199 T HA 0.428 4.778 4.350 -0.000 0.000 0.290 199 T C -2.343 172.472 174.700 0.192 0.000 1.052 199 T CA -2.025 60.203 62.100 0.214 0.000 1.017 199 T CB 1.913 70.895 68.868 0.191 0.000 1.137 199 T HN 0.231 nan 8.240 nan 0.000 0.511 200 P HA -0.106 nan 4.420 nan 0.000 0.218 200 P C 1.663 179.029 177.300 0.110 0.000 1.146 200 P CA 0.578 63.774 63.100 0.160 0.000 0.820 200 P CB -0.226 31.562 31.700 0.146 0.000 0.778 201 V N 0.186 120.164 119.914 0.106 0.000 2.407 201 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 201 V C 1.934 178.064 176.094 0.061 0.000 1.055 201 V CA 2.089 64.432 62.300 0.072 0.000 1.049 201 V CB -1.155 30.707 31.823 0.064 0.000 0.662 201 V HN 0.137 nan 8.190 nan 0.000 0.455 202 D N 0.130 120.574 120.400 0.073 0.000 2.117 202 D HA -0.100 4.540 4.640 -0.000 0.000 0.198 202 D C 2.235 178.567 176.300 0.054 0.000 0.982 202 D CA 1.123 55.158 54.000 0.059 0.000 0.828 202 D CB -0.283 40.558 40.800 0.068 0.000 0.967 202 D HN 0.330 nan 8.370 nan 0.000 0.464 203 V N 1.405 121.361 119.914 0.071 0.000 2.287 203 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 203 V C 2.522 178.646 176.094 0.049 0.000 1.053 203 V CA 1.250 63.589 62.300 0.065 0.000 1.027 203 V CB -0.385 31.489 31.823 0.085 0.000 0.646 203 V HN 0.160 nan 8.190 nan 0.000 0.447 204 I N -0.369 120.227 120.570 0.043 0.000 2.202 204 I HA -0.222 3.948 4.170 -0.000 0.000 0.242 204 I C 2.583 178.709 176.117 0.015 0.000 1.091 204 I CA 1.843 63.158 61.300 0.024 0.000 1.368 204 I CB -0.794 37.217 38.000 0.017 0.000 1.058 204 I HN 0.274 nan 8.210 nan 0.000 0.410 205 T N 0.898 115.462 114.554 0.017 0.000 2.653 205 T HA -0.273 4.077 4.350 -0.000 0.000 0.268 205 T C 2.022 176.725 174.700 0.005 0.000 1.035 205 T CA 1.835 63.940 62.100 0.008 0.000 1.154 205 T CB -0.423 68.452 68.868 0.012 0.000 0.862 205 T HN 0.510 nan 8.240 nan 0.000 0.441 206 A N 0.588 123.415 122.820 0.012 0.000 1.933 206 A HA 0.016 4.336 4.320 -0.000 0.000 0.218 206 A C 2.271 179.858 177.584 0.005 0.000 1.175 206 A CA 1.153 53.193 52.037 0.005 0.000 0.628 206 A CB -0.677 18.328 19.000 0.008 0.000 0.814 206 A HN 0.562 nan 8.150 nan 0.000 0.444 207 I N -0.774 119.812 120.570 0.027 0.000 2.353 207 I HA -0.211 3.959 4.170 -0.000 0.000 0.248 207 I C 2.353 178.485 176.117 0.026 0.000 1.119 207 I CA 1.269 62.600 61.300 0.052 0.000 1.417 207 I CB -0.167 37.898 38.000 0.109 0.000 1.078 207 I HN 0.252 nan 8.210 nan 0.000 0.421 208 K N 0.915 121.319 120.400 0.006 0.000 2.103 208 K HA -0.038 4.282 4.320 -0.000 0.000 0.204 208 K C 2.290 178.880 176.600 -0.016 0.000 1.052 208 K CA 1.266 57.547 56.287 -0.010 0.000 0.945 208 K CB -0.200 32.286 32.500 -0.023 0.000 0.722 208 K HN 0.264 nan 8.250 nan 0.000 0.443 209 A N 1.386 124.196 122.820 -0.017 0.000 1.902 209 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 209 A C 1.745 179.308 177.584 -0.035 0.000 1.181 209 A CA 1.400 53.423 52.037 -0.023 0.000 0.623 209 A CB -0.242 18.746 19.000 -0.020 0.000 0.818 209 A HN 0.303 nan 8.150 nan 0.000 0.443 210 Q N -1.622 118.149 119.800 -0.047 0.000 2.219 210 Q HA 0.134 4.474 4.340 -0.000 0.000 0.209 210 Q C -0.354 175.570 176.000 -0.125 0.000 0.854 210 Q CA -0.075 55.679 55.803 -0.082 0.000 0.960 210 Q CB 0.329 29.012 28.738 -0.092 0.000 1.116 210 Q HN 0.537 nan 8.270 nan 0.000 0.500 211 N N 0.937 119.586 118.700 -0.084 0.000 2.750 211 N HA 0.432 5.172 4.740 -0.000 0.000 0.253 211 N C -1.804 173.704 175.510 -0.004 0.000 1.408 211 N CA -0.119 52.887 53.050 -0.073 0.000 0.780 211 N CB 0.939 39.396 38.487 -0.051 0.000 1.191 211 N HN 0.128 nan 8.380 nan 0.000 0.511 212 A N 0.764 123.575 122.820 -0.015 0.000 2.594 212 A HA 0.623 4.943 4.320 -0.000 0.000 0.291 212 A C -1.468 176.113 177.584 -0.005 0.000 1.105 212 A CA -0.638 51.396 52.037 -0.004 0.000 0.694 212 A CB 1.641 20.633 19.000 -0.013 0.000 1.291 212 A HN 0.304 nan 8.150 nan 0.000 0.410 213 Q N 0.855 120.654 119.800 -0.001 0.000 2.307 213 Q HA 0.551 4.891 4.340 -0.000 0.000 0.262 213 Q C -1.549 174.447 176.000 -0.007 0.000 0.961 213 Q CA -0.296 55.505 55.803 -0.003 0.000 0.882 213 Q CB 1.684 30.423 28.738 0.001 0.000 1.264 213 Q HN 0.541 nan 8.270 nan 0.000 0.446 214 V N 2.937 122.845 119.914 -0.009 0.000 2.350 214 V HA 0.416 4.536 4.120 -0.000 0.000 0.285 214 V C 0.092 176.181 176.094 -0.009 0.000 1.014 214 V CA -0.971 61.322 62.300 -0.010 0.000 0.831 214 V CB 1.168 32.983 31.823 -0.013 0.000 1.000 214 V HN 0.868 nan 8.190 nan 0.000 0.433 215 A N 3.981 126.796 122.820 -0.008 0.000 2.540 215 A HA 0.616 4.936 4.320 -0.000 0.000 0.239 215 A C 0.936 178.515 177.584 -0.008 0.000 1.061 215 A CA 0.896 52.928 52.037 -0.007 0.000 0.758 215 A CB 0.426 19.422 19.000 -0.007 0.000 0.991 215 A HN 1.299 nan 8.150 nan 0.000 0.502 216 A N 2.260 125.076 122.820 -0.007 0.000 1.962 216 A HA 0.866 5.186 4.320 -0.000 0.000 0.202 216 A C 1.042 178.622 177.584 -0.006 0.000 2.303 216 A CA 1.072 53.104 52.037 -0.007 0.000 1.341 216 A CB -0.149 18.847 19.000 -0.007 0.000 1.044 216 A HN 2.489 nan 8.150 nan 0.000 0.583 217 G N -1.292 107.505 108.800 -0.006 0.000 2.404 217 G HA2 0.484 4.444 3.960 -0.000 0.000 0.253 217 G HA3 0.484 4.444 3.960 -0.000 0.000 0.253 217 G C -1.872 173.025 174.900 -0.005 0.000 1.253 217 G CA 0.106 45.203 45.100 -0.005 0.000 0.917 217 G HN 1.260 nan 8.290 nan 0.000 0.480 218 Q N -0.561 119.236 119.800 -0.005 0.000 2.377 218 Q HA 0.692 5.032 4.340 -0.000 0.000 0.279 218 Q C -1.080 174.918 176.000 -0.004 0.000 1.049 218 Q CA -1.012 54.789 55.803 -0.004 0.000 0.825 218 Q CB 2.192 30.928 28.738 -0.004 0.000 1.401 218 Q HN 0.583 nan 8.270 nan 0.000 0.404 219 L N 1.362 122.583 121.223 -0.004 0.000 2.461 219 L HA 0.348 4.688 4.340 -0.000 0.000 0.272 219 L C 1.329 178.197 176.870 -0.003 0.000 1.197 219 L CA 0.919 55.757 54.840 -0.004 0.000 0.836 219 L CB 0.063 42.120 42.059 -0.003 0.000 1.105 219 L HN 1.106 nan 8.230 nan 0.000 0.477 220 G N 1.949 110.747 108.800 -0.003 0.000 2.321 220 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.287 220 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.287 220 G C 0.576 175.475 174.900 -0.003 0.000 1.018 220 G CA 0.168 45.266 45.100 -0.003 0.000 0.855 220 G HN 1.090 nan 8.290 nan 0.000 0.507 221 G N -0.476 108.322 108.800 -0.003 0.000 2.594 221 G HA2 0.599 4.559 3.960 -0.000 0.000 0.243 221 G HA3 0.599 4.559 3.960 -0.000 0.000 0.243 221 G C 0.634 175.532 174.900 -0.003 0.000 1.229 221 G CA 0.570 45.668 45.100 -0.003 0.000 0.843 221 G HN 1.233 nan 8.290 nan 0.000 0.578 222 T N 0.118 114.670 114.554 -0.003 0.000 2.897 222 T HA 0.543 4.893 4.350 -0.000 0.000 0.294 222 T C -1.978 172.720 174.700 -0.003 0.000 1.004 222 T CA -1.211 60.887 62.100 -0.003 0.000 1.106 222 T CB 1.337 70.203 68.868 -0.003 0.000 0.949 222 T HN 0.457 nan 8.240 nan 0.000 0.520 223 P HA 0.431 nan 4.420 nan 0.000 0.281 223 P C -2.553 174.746 177.300 -0.003 0.000 1.252 223 P CA -1.265 61.833 63.100 -0.003 0.000 0.778 223 P CB 0.094 31.793 31.700 -0.003 0.000 0.895 224 P HA 0.198 nan 4.420 nan 0.000 0.284 224 P C -0.303 176.995 177.300 -0.002 0.000 1.287 224 P CA -0.641 62.458 63.100 -0.003 0.000 0.824 224 P CB 0.597 32.295 31.700 -0.002 0.000 1.180 225 V N -2.307 117.606 119.914 -0.002 0.000 3.133 225 V HA 0.328 4.448 4.120 -0.000 0.000 0.305 225 V C 0.513 176.605 176.094 -0.002 0.000 1.084 225 V CA -0.729 61.569 62.300 -0.002 0.000 1.089 225 V CB -0.270 31.552 31.823 -0.002 0.000 1.073 225 V HN 0.424 nan 8.190 nan 0.000 0.477 226 K N 1.329 121.728 120.400 -0.002 0.000 2.382 226 K HA 0.451 4.771 4.320 -0.000 0.000 0.275 226 K C 1.047 177.646 176.600 -0.002 0.000 1.009 226 K CA 0.829 57.114 56.287 -0.002 0.000 0.970 226 K CB 0.421 32.920 32.500 -0.002 0.000 0.934 226 K HN 1.644 nan 8.250 nan 0.000 0.479 227 G N 2.315 111.114 108.800 -0.002 0.000 2.273 227 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.280 227 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.280 227 G C -0.238 174.661 174.900 -0.002 0.000 1.047 227 G CA 0.444 45.543 45.100 -0.002 0.000 0.869 227 G HN 0.557 nan 8.290 nan 0.000 0.502 228 Q N -0.403 119.396 119.800 -0.002 0.000 2.313 228 Q HA 0.493 4.833 4.340 -0.000 0.000 0.266 228 Q C 1.413 177.411 176.000 -0.002 0.000 0.989 228 Q CA 0.564 56.366 55.803 -0.002 0.000 0.890 228 Q CB 1.027 29.764 28.738 -0.002 0.000 1.200 228 Q HN 0.584 nan 8.270 nan 0.000 0.396 229 Q N 4.106 123.905 119.800 -0.002 0.000 1.889 229 Q HA 0.045 4.385 4.340 -0.000 0.000 0.211 229 Q C -0.379 175.620 176.000 -0.002 0.000 0.988 229 Q CA 1.872 57.674 55.803 -0.002 0.000 0.861 229 Q CB 0.049 28.785 28.738 -0.002 0.000 0.922 229 Q HN 0.698 nan 8.270 nan 0.000 0.425 230 L N 0.175 121.396 121.223 -0.002 0.000 2.422 230 L HA 0.504 4.844 4.340 -0.000 0.000 0.264 230 L C -1.621 175.248 176.870 -0.003 0.000 0.984 230 L CA -0.739 54.100 54.840 -0.002 0.000 0.819 230 L CB 2.107 44.164 42.059 -0.002 0.000 1.330 230 L HN 0.311 nan 8.230 nan 0.000 0.410 231 N N 3.528 122.226 118.700 -0.003 0.000 2.419 231 N HA 0.767 5.507 4.740 -0.000 0.000 0.277 231 N C -1.392 174.116 175.510 -0.003 0.000 1.006 231 N CA -0.161 52.887 53.050 -0.003 0.000 0.923 231 N CB 1.643 40.128 38.487 -0.003 0.000 1.140 231 N HN 0.858 nan 8.380 nan 0.000 0.488 232 A N 2.448 125.266 122.820 -0.003 0.000 2.488 232 A HA 0.366 4.686 4.320 -0.000 0.000 0.295 232 A C -0.622 176.960 177.584 -0.004 0.000 1.045 232 A CA -0.635 51.400 52.037 -0.003 0.000 0.703 232 A CB 1.303 20.301 19.000 -0.003 0.000 1.271 232 A HN 0.536 nan 8.150 nan 0.000 0.400 233 S N 1.547 117.245 115.700 -0.004 0.000 2.533 233 S HA 0.290 4.760 4.470 -0.000 0.000 0.282 233 S C 0.282 174.879 174.600 -0.004 0.000 1.304 233 S CA 0.083 58.281 58.200 -0.004 0.000 1.063 233 S CB -0.128 63.069 63.200 -0.004 0.000 0.881 233 S HN 0.473 nan 8.310 nan 0.000 0.493 234 I N 4.494 125.061 120.570 -0.005 0.000 2.379 234 I HA 0.151 4.320 4.170 -0.000 0.000 0.290 234 I C -0.199 175.914 176.117 -0.006 0.000 1.063 234 I CA -0.282 61.015 61.300 -0.005 0.000 1.351 234 I CB 0.302 38.299 38.000 -0.006 0.000 1.410 234 I HN 0.378 nan 8.210 nan 0.000 0.505 235 I N 6.489 127.056 120.570 -0.006 0.000 2.291 235 I HA 0.367 4.537 4.170 -0.000 0.000 0.290 235 I C 0.844 176.956 176.117 -0.007 0.000 1.050 235 I CA 0.022 61.318 61.300 -0.006 0.000 1.245 235 I CB 0.266 38.263 38.000 -0.005 0.000 1.405 235 I HN 0.626 nan 8.210 nan 0.000 0.478 236 A N 6.644 129.459 122.820 -0.008 0.000 3.337 236 A HA 0.262 4.582 4.320 -0.000 0.000 0.173 236 A C 0.559 178.136 177.584 -0.012 0.000 1.986 236 A CA -0.178 51.853 52.037 -0.010 0.000 0.954 236 A CB -0.017 18.976 19.000 -0.011 0.000 1.899 236 A HN 0.693 nan 8.150 nan 0.000 0.732 237 Q N -0.470 119.321 119.800 -0.015 0.000 2.361 237 Q HA 0.359 4.699 4.340 -0.000 0.000 0.276 237 Q C -0.989 175.002 176.000 -0.015 0.000 1.022 237 Q CA 0.576 56.368 55.803 -0.019 0.000 0.898 237 Q CB 0.346 29.071 28.738 -0.023 0.000 1.246 237 Q HN 0.672 nan 8.270 nan 0.000 0.410 238 T N 3.009 117.554 114.554 -0.016 0.000 2.896 238 T HA 0.388 4.738 4.350 -0.000 0.000 0.297 238 T C -0.660 174.036 174.700 -0.007 0.000 1.108 238 T CA -0.876 61.219 62.100 -0.007 0.000 1.004 238 T CB 1.246 70.112 68.868 -0.003 0.000 1.159 238 T HN 0.580 nan 8.240 nan 0.000 0.499 239 R N 0.967 121.476 120.500 0.014 0.000 2.638 239 R HA 0.160 4.500 4.340 -0.000 0.000 0.268 239 R C 0.165 176.490 176.300 0.040 0.000 1.006 239 R CA -0.007 56.118 56.100 0.043 0.000 1.088 239 R CB 0.053 30.406 30.300 0.088 0.000 0.950 239 R HN 0.464 nan 8.270 nan 0.000 0.419 240 L N 1.536 122.767 121.223 0.014 0.000 2.472 240 L HA 0.073 4.413 4.340 -0.000 0.000 0.260 240 L C 1.209 178.219 176.870 0.233 0.000 1.209 240 L CA 0.100 54.925 54.840 -0.025 0.000 0.817 240 L CB 0.759 42.552 42.059 -0.444 0.000 1.106 240 L HN 0.785 nan 8.230 nan 0.000 0.479 241 T N -1.802 112.886 114.554 0.223 0.000 3.221 241 T HA 0.051 4.401 4.350 -0.000 0.000 0.250 241 T C 0.637 175.564 174.700 0.378 0.000 0.988 241 T CA -0.143 62.135 62.100 0.297 0.000 1.163 241 T CB 0.365 69.319 68.868 0.143 0.000 1.098 241 T HN 0.504 nan 8.240 nan 0.000 0.422 242 S N 1.607 117.451 115.700 0.240 0.000 2.603 242 S HA 0.227 4.697 4.470 -0.000 0.000 0.268 242 S C 1.408 176.163 174.600 0.259 0.000 1.317 242 S CA -0.242 58.083 58.200 0.208 0.000 1.012 242 S CB 1.319 64.590 63.200 0.120 0.000 0.926 242 S HN 0.381 nan 8.310 nan 0.000 0.539 243 T N 0.265 114.922 114.554 0.171 0.000 2.951 243 T HA -0.054 4.296 4.350 -0.000 0.000 0.268 243 T C 1.584 176.359 174.700 0.124 0.000 1.073 243 T CA 1.171 63.341 62.100 0.115 0.000 1.134 243 T CB -0.228 68.653 68.868 0.021 0.000 0.884 243 T HN 0.674 nan 8.240 nan 0.000 0.479 244 E N 0.208 120.467 120.200 0.099 0.000 2.106 244 E HA -0.128 4.222 4.350 -0.000 0.000 0.192 244 E C 2.067 178.704 176.600 0.061 0.000 0.984 244 E CA 1.057 57.499 56.400 0.070 0.000 0.806 244 E CB 0.017 29.749 29.700 0.053 0.000 0.750 244 E HN 0.627 nan 8.360 nan 0.000 0.458 245 E N -0.442 119.794 120.200 0.060 0.000 2.077 245 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 245 E C 1.819 178.373 176.600 -0.076 0.000 0.989 245 E CA 1.016 57.401 56.400 -0.025 0.000 0.800 245 E CB -0.129 29.530 29.700 -0.068 0.000 0.746 245 E HN 0.287 nan 8.360 nan 0.000 0.452 246 F N 0.479 120.404 119.950 -0.042 0.000 2.171 246 F HA -0.096 4.430 4.527 -0.000 0.000 0.300 246 F C 2.414 178.185 175.800 -0.049 0.000 1.090 246 F CA 1.190 59.151 58.000 -0.065 0.000 1.293 246 F CB -0.512 38.415 39.000 -0.123 0.000 1.013 246 F HN 0.083 nan 8.300 nan 0.000 0.486 247 G N -0.243 108.639 108.800 0.136 0.000 2.440 247 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.218 247 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.218 247 G C 1.516 176.431 174.900 0.025 0.000 1.154 247 G CA 0.498 45.639 45.100 0.069 0.000 0.767 247 G HN 0.263 nan 8.290 nan 0.000 0.552 248 K N 0.637 121.040 120.400 0.004 0.000 2.522 248 K HA 0.189 4.509 4.320 -0.000 0.000 0.194 248 K C 0.814 177.389 176.600 -0.042 0.000 1.026 248 K CA -0.265 56.009 56.287 -0.021 0.000 1.119 248 K CB -0.120 32.366 32.500 -0.023 0.000 0.856 248 K HN 0.597 nan 8.250 nan 0.000 0.513 249 I N -0.965 119.579 120.570 -0.044 0.000 2.519 249 I HA 0.187 4.357 4.170 -0.000 0.000 0.287 249 I C -0.195 175.894 176.117 -0.046 0.000 1.047 249 I CA -0.866 60.400 61.300 -0.057 0.000 1.381 249 I CB 0.583 38.541 38.000 -0.070 0.000 1.417 249 I HN -0.211 nan 8.210 nan 0.000 0.540 250 L N 5.932 127.125 121.223 -0.050 0.000 2.326 250 L HA 0.335 4.675 4.340 -0.000 0.000 0.278 250 L C 0.284 177.127 176.870 -0.047 0.000 1.092 250 L CA 0.177 54.985 54.840 -0.053 0.000 0.810 250 L CB 1.185 43.215 42.059 -0.049 0.000 1.153 250 L HN 0.775 nan 8.230 nan 0.000 0.439 251 L N 2.798 123.984 121.223 -0.061 0.000 2.526 251 L HA 0.381 4.721 4.340 -0.000 0.000 0.210 251 L C 0.369 177.215 176.870 -0.040 0.000 1.048 251 L CA -0.051 54.762 54.840 -0.045 0.000 0.852 251 L CB 0.060 42.087 42.059 -0.054 0.000 1.128 251 L HN 0.538 nan 8.230 nan 0.000 0.482 252 K N 0.106 120.466 120.400 -0.066 0.000 2.578 252 K HA 0.400 4.720 4.320 -0.000 0.000 0.269 252 K C -1.779 174.788 176.600 -0.056 0.000 0.941 252 K CA -0.458 55.803 56.287 -0.043 0.000 0.847 252 K CB 2.895 35.385 32.500 -0.017 0.000 1.397 252 K HN -0.292 nan 8.250 nan 0.000 0.422 253 V N 4.021 123.917 119.914 -0.030 0.000 2.311 253 V HA 0.241 4.361 4.120 -0.000 0.000 0.275 253 V C 0.070 176.160 176.094 -0.007 0.000 1.022 253 V CA -1.046 61.238 62.300 -0.026 0.000 0.830 253 V CB 0.910 32.721 31.823 -0.020 0.000 1.012 253 V HN 0.689 nan 8.190 nan 0.000 0.452 254 N N 3.298 121.998 118.700 -0.000 0.000 2.344 254 N HA -0.037 4.703 4.740 -0.000 0.000 0.236 254 N C 1.392 176.913 175.510 0.018 0.000 1.279 254 N CA 0.053 53.118 53.050 0.025 0.000 0.882 254 N CB 0.657 39.171 38.487 0.046 0.000 1.110 254 N HN 0.842 nan 8.380 nan 0.000 0.436 255 Q N 0.286 120.100 119.800 0.023 0.000 2.443 255 Q HA -0.148 4.192 4.340 -0.000 0.000 0.213 255 Q C 0.224 176.232 176.000 0.013 0.000 0.982 255 Q CA 1.680 57.493 55.803 0.016 0.000 0.894 255 Q CB -0.171 28.578 28.738 0.017 0.000 0.947 255 Q HN 0.605 nan 8.270 nan 0.000 0.480 256 D N -1.656 118.753 120.400 0.015 0.000 2.424 256 D HA 0.205 4.845 4.640 -0.000 0.000 0.220 256 D C 0.961 177.265 176.300 0.008 0.000 1.150 256 D CA 0.192 54.200 54.000 0.012 0.000 0.831 256 D CB 0.110 40.919 40.800 0.015 0.000 0.981 256 D HN 0.374 nan 8.370 nan 0.000 0.500 257 G N 1.235 110.037 108.800 0.004 0.000 2.205 257 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.261 257 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.261 257 G C 0.450 175.346 174.900 -0.007 0.000 0.980 257 G CA 0.437 45.536 45.100 -0.002 0.000 0.632 257 G HN 0.752 nan 8.290 nan 0.000 0.533 258 S N 1.389 117.087 115.700 -0.003 0.000 2.549 258 S HA 0.563 5.033 4.470 -0.000 0.000 0.283 258 S C 0.807 175.386 174.600 -0.035 0.000 1.320 258 S CA 0.074 58.268 58.200 -0.010 0.000 1.058 258 S CB 1.463 64.668 63.200 0.008 0.000 0.882 258 S HN 1.020 nan 8.310 nan 0.000 0.498 259 R N 1.724 122.193 120.500 -0.052 0.000 2.490 259 R HA 0.495 4.835 4.340 -0.000 0.000 0.278 259 R C -1.297 174.907 176.300 -0.160 0.000 1.069 259 R CA -0.686 55.363 56.100 -0.085 0.000 1.080 259 R CB 0.018 30.277 30.300 -0.067 0.000 1.030 259 R HN 0.461 nan 8.270 nan 0.000 0.491 260 V N 4.502 124.285 119.914 -0.218 0.000 2.448 260 V HA 0.438 4.558 4.120 -0.000 0.000 0.295 260 V C 0.153 176.100 176.094 -0.246 0.000 1.025 260 V CA -0.795 61.273 62.300 -0.386 0.000 0.859 260 V CB 1.440 32.904 31.823 -0.599 0.000 0.988 260 V HN 0.619 nan 8.190 nan 0.000 0.431 261 L N 3.558 124.652 121.223 -0.215 0.000 2.303 261 L HA 0.498 4.838 4.340 -0.000 0.000 0.266 261 L C 0.940 177.765 176.870 -0.075 0.000 1.011 261 L CA -0.749 54.025 54.840 -0.111 0.000 0.818 261 L CB 1.686 43.702 42.059 -0.071 0.000 1.326 261 L HN 0.470 nan 8.230 nan 0.000 0.435 262 L N 0.984 122.194 121.223 -0.022 0.000 2.265 262 L HA -0.069 4.271 4.340 -0.000 0.000 0.215 262 L C 2.596 179.487 176.870 0.034 0.000 1.117 262 L CA 1.561 56.413 54.840 0.020 0.000 0.782 262 L CB -0.680 41.411 42.059 0.054 0.000 0.914 262 L HN 0.617 nan 8.230 nan 0.000 0.441 263 R N -0.390 120.124 120.500 0.024 0.000 2.091 263 R HA -0.180 4.160 4.340 -0.000 0.000 0.238 263 R C 1.486 177.811 176.300 0.042 0.000 1.136 263 R CA 1.959 58.081 56.100 0.035 0.000 0.959 263 R CB -0.309 30.004 30.300 0.023 0.000 0.856 263 R HN 0.483 nan 8.270 nan 0.000 0.437 264 D N -0.190 120.221 120.400 0.018 0.000 2.277 264 D HA -0.083 4.557 4.640 -0.000 0.000 0.208 264 D C 1.573 177.952 176.300 0.132 0.000 0.962 264 D CA 1.166 55.197 54.000 0.052 0.000 0.865 264 D CB 0.406 41.180 40.800 -0.044 0.000 0.939 264 D HN 0.325 nan 8.370 nan 0.000 0.510 265 V N -2.949 117.028 119.914 0.105 0.000 3.528 265 V HA 0.660 4.780 4.120 -0.000 0.000 0.294 265 V C 0.419 176.577 176.094 0.108 0.000 1.404 265 V CA -0.174 62.206 62.300 0.134 0.000 1.065 265 V CB 0.125 32.038 31.823 0.150 0.000 0.904 265 V HN 0.061 nan 8.190 nan 0.000 0.435 266 A N 0.027 122.910 122.820 0.105 0.000 2.589 266 A HA 0.788 5.108 4.320 -0.000 0.000 0.296 266 A C -1.046 176.615 177.584 0.128 0.000 1.062 266 A CA -0.869 51.245 52.037 0.128 0.000 0.686 266 A CB 1.595 20.663 19.000 0.113 0.000 1.282 266 A HN 0.179 nan 8.150 nan 0.000 0.404 267 K N 0.664 121.174 120.400 0.182 0.000 2.276 267 K HA 0.628 4.948 4.320 -0.000 0.000 0.283 267 K C -0.980 175.722 176.600 0.171 0.000 1.044 267 K CA 0.454 56.851 56.287 0.183 0.000 0.944 267 K CB 0.748 33.382 32.500 0.223 0.000 1.012 267 K HN 0.509 nan 8.250 nan 0.000 0.472 268 I N 3.632 124.261 120.570 0.099 0.000 2.411 268 I HA 0.222 4.392 4.170 -0.000 0.000 0.284 268 I C -0.437 175.685 176.117 0.008 0.000 1.012 268 I CA -0.411 60.896 61.300 0.012 0.000 1.119 268 I CB 1.221 39.223 38.000 0.003 0.000 1.261 268 I HN 0.662 nan 8.210 nan 0.000 0.448 269 E N 6.050 126.239 120.200 -0.018 0.000 2.383 269 E HA 0.517 4.867 4.350 -0.000 0.000 0.275 269 E C -1.582 174.964 176.600 -0.090 0.000 0.918 269 E CA -1.095 55.303 56.400 -0.004 0.000 0.764 269 E CB 2.083 31.855 29.700 0.119 0.000 1.252 269 E HN 0.149 nan 8.360 nan 0.000 0.449 270 L N 1.901 123.030 121.223 -0.158 0.000 2.360 270 L HA 0.571 4.911 4.340 -0.000 0.000 0.276 270 L C 0.485 177.248 176.870 -0.179 0.000 1.121 270 L CA 1.053 55.714 54.840 -0.299 0.000 0.845 270 L CB 0.756 42.407 42.059 -0.681 0.000 1.143 270 L HN 0.803 nan 8.230 nan 0.000 0.452 271 G N 1.852 110.679 108.800 0.045 0.000 2.827 271 G HA2 0.580 4.540 3.960 -0.000 0.000 0.296 271 G HA3 0.580 4.540 3.960 -0.000 0.000 0.296 271 G C -0.502 174.543 174.900 0.241 0.000 1.362 271 G CA -0.284 44.977 45.100 0.269 0.000 0.809 271 G HN 0.772 nan 8.290 nan 0.000 0.522 272 G N -1.053 107.746 108.800 -0.003 0.000 2.491 272 G HA2 0.361 4.321 3.960 -0.000 0.000 0.238 272 G HA3 0.361 4.321 3.960 -0.000 0.000 0.238 272 G C 0.558 175.285 174.900 -0.289 0.000 1.277 272 G CA 0.331 45.227 45.100 -0.341 0.000 0.851 272 G HN 0.645 nan 8.290 nan 0.000 0.573 273 E N 0.085 120.169 120.200 -0.194 0.000 2.107 273 E HA -0.081 4.269 4.350 -0.000 0.000 0.191 273 E C 0.994 177.371 176.600 -0.371 0.000 0.982 273 E CA 0.629 56.934 56.400 -0.159 0.000 0.809 273 E CB 0.141 29.818 29.700 -0.039 0.000 0.756 273 E HN 0.568 nan 8.360 nan 0.000 0.459 274 N N -1.815 116.693 118.700 -0.320 0.000 2.329 274 N HA 0.042 4.782 4.740 -0.000 0.000 0.282 274 N C -1.246 174.096 175.510 -0.281 0.000 1.198 274 N CA -0.376 52.540 53.050 -0.224 0.000 0.790 274 N CB 1.008 39.425 38.487 -0.116 0.000 1.579 274 N HN -0.062 nan 8.380 nan 0.000 0.475 275 Y N 0.341 120.646 120.300 0.008 0.000 2.660 275 Y HA 0.260 4.810 4.550 -0.000 0.000 0.254 275 Y C 1.106 177.019 175.900 0.021 0.000 1.176 275 Y CA -0.447 57.672 58.100 0.032 0.000 1.195 275 Y CB 0.597 39.090 38.460 0.055 0.000 1.190 275 Y HN 0.511 nan 8.280 nan 0.000 0.535 276 D N 1.003 121.472 120.400 0.114 0.000 2.149 276 D HA -0.038 4.602 4.640 -0.000 0.000 0.201 276 D C 0.557 176.898 176.300 0.069 0.000 0.972 276 D CA 1.126 55.179 54.000 0.088 0.000 0.835 276 D CB 0.224 41.066 40.800 0.071 0.000 0.966 276 D HN 0.379 nan 8.370 nan 0.000 0.476 277 I N -0.652 119.948 120.570 0.050 0.000 2.359 277 I HA 0.355 4.525 4.170 -0.000 0.000 0.294 277 I C -0.358 175.779 176.117 0.032 0.000 0.987 277 I CA -1.011 60.312 61.300 0.038 0.000 1.225 277 I CB 1.451 39.465 38.000 0.022 0.000 1.366 277 I HN -0.179 nan 8.210 nan 0.000 0.466 278 I N 3.656 124.240 120.570 0.024 0.000 2.410 278 I HA 0.915 5.085 4.170 -0.000 0.000 0.286 278 I C -0.226 175.875 176.117 -0.027 0.000 1.009 278 I CA -0.895 60.412 61.300 0.011 0.000 1.111 278 I CB 1.594 39.608 38.000 0.022 0.000 1.262 278 I HN 0.777 nan 8.210 nan 0.000 0.443 279 A N 4.988 127.777 122.820 -0.052 0.000 2.324 279 A HA 0.815 5.135 4.320 -0.000 0.000 0.330 279 A C -0.489 176.954 177.584 -0.236 0.000 1.165 279 A CA -0.480 51.469 52.037 -0.146 0.000 0.813 279 A CB 1.113 20.063 19.000 -0.084 0.000 1.197 279 A HN 0.832 nan 8.150 nan 0.000 0.484 280 E N 0.365 120.334 120.200 -0.385 0.000 2.314 280 E HA 0.401 4.751 4.350 -0.000 0.000 0.272 280 E C -1.988 174.350 176.600 -0.437 0.000 0.884 280 E CA -0.371 55.847 56.400 -0.304 0.000 0.753 280 E CB 2.510 32.115 29.700 -0.158 0.000 1.213 280 E HN 0.542 nan 8.360 nan 0.000 0.432 281 F N 2.984 122.706 119.950 -0.380 0.000 2.347 281 F HA 0.292 4.818 4.527 -0.000 0.000 0.366 281 F C 0.075 175.824 175.800 -0.085 0.000 1.107 281 F CA -0.368 57.495 58.000 -0.228 0.000 1.058 281 F CB 0.286 39.240 39.000 -0.077 0.000 1.236 281 F HN 0.611 nan 8.300 nan 0.000 0.456 282 N N 4.231 122.695 118.700 -0.394 0.000 2.721 282 N HA -0.227 4.513 4.740 -0.000 0.000 0.249 282 N C 0.872 176.341 175.510 -0.068 0.000 1.072 282 N CA 0.738 53.656 53.050 -0.221 0.000 0.710 282 N CB -0.999 37.373 38.487 -0.193 0.000 0.993 282 N HN 1.188 nan 8.380 nan 0.000 0.547 283 G N -1.312 107.449 108.800 -0.066 0.000 2.199 283 G HA2 -0.347 3.612 3.960 -0.000 0.000 0.254 283 G HA3 -0.347 3.612 3.960 -0.000 0.000 0.254 283 G C -0.093 174.799 174.900 -0.013 0.000 0.982 283 G CA 0.504 45.587 45.100 -0.028 0.000 0.632 283 G HN 0.491 nan 8.290 nan 0.000 0.529 284 Q N 1.372 121.176 119.800 0.006 0.000 2.245 284 Q HA 0.478 4.818 4.340 -0.000 0.000 0.256 284 Q C -2.359 173.641 176.000 -0.000 0.000 0.942 284 Q CA -2.211 53.603 55.803 0.020 0.000 0.896 284 Q CB 1.882 30.653 28.738 0.055 0.000 1.272 284 Q HN 0.145 nan 8.270 nan 0.000 0.442 285 P HA -0.083 nan 4.420 nan 0.000 0.261 285 P C -1.391 175.895 177.300 -0.023 0.000 1.165 285 P CA 0.580 63.670 63.100 -0.018 0.000 0.759 285 P CB 0.395 32.093 31.700 -0.002 0.000 0.772 286 A N 1.895 124.690 122.820 -0.040 0.000 2.517 286 A HA 0.601 4.921 4.320 -0.000 0.000 0.297 286 A C -0.423 177.191 177.584 0.050 0.000 1.050 286 A CA -0.409 51.618 52.037 -0.017 0.000 0.694 286 A CB 1.610 20.563 19.000 -0.079 0.000 1.277 286 A HN 0.445 nan 8.150 nan 0.000 0.400 287 S N 0.420 116.176 115.700 0.093 0.000 2.806 287 S HA 0.988 5.458 4.470 -0.000 0.000 0.315 287 S C 0.140 174.851 174.600 0.185 0.000 1.127 287 S CA 0.198 58.482 58.200 0.141 0.000 0.918 287 S CB 1.809 65.035 63.200 0.044 0.000 1.240 287 S HN 2.404 nan 8.310 nan 0.000 0.552 288 G N -0.263 108.613 108.800 0.125 0.000 2.428 288 G HA2 0.488 4.448 3.960 -0.000 0.000 0.304 288 G HA3 0.488 4.448 3.960 -0.000 0.000 0.304 288 G C -2.406 172.298 174.900 -0.327 0.000 1.303 288 G CA -0.715 44.368 45.100 -0.028 0.000 0.825 288 G HN 0.771 nan 8.290 nan 0.000 0.484 289 L N 0.017 120.946 121.223 -0.491 0.000 2.408 289 L HA 0.709 5.049 4.340 -0.000 0.000 0.268 289 L C 0.369 176.769 176.870 -0.783 0.000 0.986 289 L CA -0.894 53.565 54.840 -0.634 0.000 0.820 289 L CB 2.610 44.485 42.059 -0.307 0.000 1.303 289 L HN 0.820 nan 8.230 nan 0.000 0.411 290 G N 2.975 111.232 108.800 -0.904 0.000 2.415 290 G HA2 0.659 4.619 3.960 -0.000 0.000 0.317 290 G HA3 0.659 4.619 3.960 -0.000 0.000 0.317 290 G C -0.860 174.076 174.900 0.060 0.000 1.152 290 G CA -0.270 44.560 45.100 -0.450 0.000 0.956 290 G HN 0.336 nan 8.290 nan 0.000 0.458 291 I N 2.012 122.681 120.570 0.165 0.000 2.336 291 I HA 0.286 4.456 4.170 -0.000 0.000 0.292 291 I C 0.399 176.670 176.117 0.255 0.000 0.991 291 I CA -0.288 61.112 61.300 0.166 0.000 1.227 291 I CB 1.732 39.783 38.000 0.087 0.000 1.366 291 I HN 0.237 nan 8.210 nan 0.000 0.466 292 K N 5.747 126.228 120.400 0.136 0.000 2.138 292 K HA 0.445 4.765 4.320 -0.000 0.000 0.263 292 K C -0.782 175.844 176.600 0.042 0.000 0.965 292 K CA -0.979 55.340 56.287 0.054 0.000 0.868 292 K CB 1.814 34.282 32.500 -0.053 0.000 1.083 292 K HN 0.433 nan 8.250 nan 0.000 0.443 293 L N 2.881 124.129 121.223 0.042 0.000 2.410 293 L HA 0.155 4.495 4.340 -0.000 0.000 0.273 293 L C -0.121 176.757 176.870 0.014 0.000 1.152 293 L CA 0.265 55.126 54.840 0.034 0.000 0.855 293 L CB 0.648 42.733 42.059 0.044 0.000 1.129 293 L HN 0.787 nan 8.230 nan 0.000 0.463 294 A N 3.891 126.717 122.820 0.010 0.000 2.462 294 A HA 0.182 4.502 4.320 -0.000 0.000 0.243 294 A C 0.622 178.206 177.584 0.001 0.000 1.076 294 A CA 0.159 52.197 52.037 0.001 0.000 0.773 294 A CB -0.040 18.960 19.000 0.000 0.000 1.010 294 A HN 0.835 nan 8.150 nan 0.000 0.493 295 T N 1.309 115.859 114.554 -0.006 0.000 2.831 295 T HA 0.390 4.740 4.350 -0.000 0.000 0.291 295 T C 1.416 176.115 174.700 -0.002 0.000 0.981 295 T CA 1.415 63.511 62.100 -0.007 0.000 1.174 295 T CB -0.505 68.354 68.868 -0.015 0.000 0.929 295 T HN 2.425 nan 8.240 nan 0.000 0.532 296 G N 2.763 111.564 108.800 0.002 0.000 2.176 296 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.253 296 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.253 296 G C 0.381 175.287 174.900 0.010 0.000 0.979 296 G CA 0.097 45.202 45.100 0.007 0.000 0.641 296 G HN 1.375 nan 8.290 nan 0.000 0.530 297 A N -0.452 122.374 122.820 0.009 0.000 2.257 297 A HA 0.698 5.018 4.320 -0.000 0.000 0.290 297 A C 0.484 178.075 177.584 0.011 0.000 1.201 297 A CA 0.065 52.107 52.037 0.009 0.000 0.863 297 A CB 0.427 19.431 19.000 0.008 0.000 1.256 297 A HN 0.494 nan 8.150 nan 0.000 0.506 298 N N -0.271 118.433 118.700 0.007 0.000 2.469 298 N HA 0.366 5.106 4.740 -0.000 0.000 0.253 298 N C 0.762 176.277 175.510 0.008 0.000 0.970 298 N CA 0.359 53.413 53.050 0.006 0.000 0.940 298 N CB 1.606 40.092 38.487 -0.003 0.000 1.128 298 N HN 0.588 nan 8.380 nan 0.000 0.503 299 A N 4.063 126.891 122.820 0.015 0.000 1.908 299 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 299 A C 1.889 179.479 177.584 0.010 0.000 1.181 299 A CA 1.178 53.227 52.037 0.020 0.000 0.627 299 A CB -0.241 18.777 19.000 0.030 0.000 0.818 299 A HN 0.631 nan 8.150 nan 0.000 0.445 300 L N 0.059 121.284 121.223 0.004 0.000 2.017 300 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 300 L C 2.052 178.916 176.870 -0.010 0.000 1.073 300 L CA 2.121 56.958 54.840 -0.005 0.000 0.745 300 L CB -0.638 41.415 42.059 -0.010 0.000 0.894 300 L HN 0.344 nan 8.230 nan 0.000 0.432 301 D N -1.366 119.029 120.400 -0.009 0.000 2.117 301 D HA -0.125 4.515 4.640 -0.000 0.000 0.198 301 D C 2.071 178.368 176.300 -0.005 0.000 0.982 301 D CA 1.727 55.721 54.000 -0.009 0.000 0.828 301 D CB -0.204 40.590 40.800 -0.010 0.000 0.967 301 D HN 0.297 nan 8.370 nan 0.000 0.464 302 T N 1.172 115.727 114.554 0.001 0.000 2.746 302 T HA -0.119 4.231 4.350 -0.000 0.000 0.267 302 T C 2.067 176.772 174.700 0.009 0.000 1.039 302 T CA 1.493 63.597 62.100 0.008 0.000 1.142 302 T CB -0.285 68.592 68.868 0.014 0.000 0.866 302 T HN 0.181 nan 8.240 nan 0.000 0.444 303 A N 1.785 124.606 122.820 0.002 0.000 1.865 303 A HA 0.078 4.398 4.320 -0.000 0.000 0.217 303 A C 2.718 180.286 177.584 -0.026 0.000 1.191 303 A CA 2.045 54.075 52.037 -0.011 0.000 0.623 303 A CB -1.340 17.644 19.000 -0.027 0.000 0.826 303 A HN 0.518 nan 8.150 nan 0.000 0.444 304 A N -0.376 122.428 122.820 -0.027 0.000 1.948 304 A HA 0.074 4.394 4.320 -0.000 0.000 0.220 304 A C 2.477 180.054 177.584 -0.012 0.000 1.177 304 A CA 2.445 54.465 52.037 -0.029 0.000 0.636 304 A CB -0.959 18.026 19.000 -0.024 0.000 0.815 304 A HN 1.120 nan 8.150 nan 0.000 0.449 305 A N -0.364 122.455 122.820 -0.003 0.000 1.897 305 A HA 0.039 4.359 4.320 -0.000 0.000 0.215 305 A C 2.098 179.694 177.584 0.020 0.000 1.181 305 A CA 1.260 53.300 52.037 0.006 0.000 0.620 305 A CB -0.543 18.460 19.000 0.004 0.000 0.821 305 A HN 0.463 nan 8.150 nan 0.000 0.443 306 I N -0.509 120.079 120.570 0.030 0.000 2.127 306 I HA -0.314 3.856 4.170 -0.000 0.000 0.241 306 I C 2.714 178.886 176.117 0.092 0.000 1.075 306 I CA 1.643 62.979 61.300 0.061 0.000 1.334 306 I CB -0.286 37.762 38.000 0.079 0.000 1.040 306 I HN 0.264 nan 8.210 nan 0.000 0.405 307 R N 0.391 120.933 120.500 0.071 0.000 2.148 307 R HA -0.090 4.250 4.340 -0.000 0.000 0.227 307 R C 2.333 178.675 176.300 0.069 0.000 1.103 307 R CA 1.188 57.337 56.100 0.082 0.000 0.983 307 R CB -0.354 29.912 30.300 -0.055 0.000 0.874 307 R HN 0.405 nan 8.270 nan 0.000 0.451 308 A N 0.910 123.753 122.820 0.038 0.000 1.872 308 A HA -0.163 4.157 4.320 -0.000 0.000 0.214 308 A C 2.022 179.627 177.584 0.034 0.000 1.187 308 A CA 1.276 53.330 52.037 0.028 0.000 0.614 308 A CB -0.257 18.750 19.000 0.012 0.000 0.826 308 A HN 0.176 nan 8.150 nan 0.000 0.442 309 E N -0.239 119.983 120.200 0.036 0.000 2.077 309 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 309 E C 1.688 178.317 176.600 0.048 0.000 0.989 309 E CA 0.891 57.308 56.400 0.028 0.000 0.800 309 E CB -0.335 29.378 29.700 0.021 0.000 0.746 309 E HN 0.300 nan 8.360 nan 0.000 0.452 310 L N 0.199 121.478 121.223 0.092 0.000 2.191 310 L HA 0.021 4.361 4.340 -0.000 0.000 0.212 310 L C 2.179 179.123 176.870 0.124 0.000 1.103 310 L CA 1.773 56.700 54.840 0.146 0.000 0.769 310 L CB -1.315 40.868 42.059 0.206 0.000 0.908 310 L HN 0.249 nan 8.230 nan 0.000 0.438 311 A N -1.373 121.500 122.820 0.090 0.000 1.968 311 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 311 A C 2.336 179.932 177.584 0.021 0.000 1.169 311 A CA 1.076 53.150 52.037 0.062 0.000 0.638 311 A CB -0.268 18.764 19.000 0.053 0.000 0.812 311 A HN 0.321 nan 8.150 nan 0.000 0.446 312 K N -0.752 119.657 120.400 0.015 0.000 2.155 312 K HA 0.000 4.320 4.320 -0.000 0.000 0.203 312 K C 1.800 178.408 176.600 0.013 0.000 1.052 312 K CA 1.436 57.733 56.287 0.017 0.000 0.948 312 K CB -0.226 32.276 32.500 0.002 0.000 0.728 312 K HN 0.553 nan 8.250 nan 0.000 0.448 313 M N 0.119 119.664 119.600 -0.092 0.000 2.492 313 M HA -0.070 4.410 4.480 -0.000 0.000 0.262 313 M C 1.587 177.455 176.300 -0.720 0.000 1.090 313 M CA 0.884 56.012 55.300 -0.286 0.000 1.110 313 M CB -0.078 32.369 32.600 -0.255 0.000 1.407 313 M HN -0.027 nan 8.290 nan 0.000 0.470 314 E N 1.496 121.407 120.200 -0.481 0.000 2.068 314 E HA -0.192 4.158 4.350 -0.000 0.000 0.207 314 E C -0.824 175.589 176.600 -0.312 0.000 1.032 314 E CA 1.924 58.094 56.400 -0.383 0.000 0.839 314 E CB -1.115 28.553 29.700 -0.053 0.000 0.758 314 E HN 0.347 nan 8.360 nan 0.000 0.457 315 P HA -0.016 nan 4.420 nan 0.000 0.253 315 P C 0.041 177.133 177.300 -0.347 0.000 1.281 315 P CA 0.696 63.662 63.100 -0.224 0.000 0.792 315 P CB -0.047 31.506 31.700 -0.246 0.000 1.193 316 F N -1.664 118.134 119.950 -0.254 0.000 2.678 316 F HA 0.254 4.781 4.527 0.000 0.000 0.305 316 F C 1.070 176.883 175.800 0.023 0.000 1.090 316 F CA -0.394 57.528 58.000 -0.129 0.000 1.272 316 F CB -0.037 38.879 39.000 -0.141 0.000 1.060 316 F HN -0.271 nan 8.300 nan 0.000 0.576 317 F N 2.414 122.477 119.950 0.189 0.000 2.410 317 F HA 0.302 4.829 4.527 -0.000 0.000 0.334 317 F C -1.436 174.344 175.800 -0.032 0.000 1.134 317 F CA -3.511 54.538 58.000 0.081 0.000 1.227 317 F CB -0.613 38.397 39.000 0.017 0.000 1.194 317 F HN -0.192 nan 8.300 nan 0.000 0.571 318 P HA 0.100 nan 4.420 nan 0.000 0.274 318 P C -0.776 176.503 177.300 -0.036 0.000 1.237 318 P CA -0.431 62.640 63.100 -0.048 0.000 0.793 318 P CB 0.478 32.054 31.700 -0.207 0.000 0.977 319 S N 0.516 116.206 115.700 -0.017 0.000 2.784 319 S HA 0.233 4.703 4.470 -0.000 0.000 0.322 319 S C 1.383 175.966 174.600 -0.029 0.000 1.234 319 S CA 1.131 59.325 58.200 -0.010 0.000 1.064 319 S CB -1.131 62.066 63.200 -0.005 0.000 0.787 319 S HN 0.976 nan 8.310 nan 0.000 0.506 320 G N 2.415 111.206 108.800 -0.014 0.000 2.272 320 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.280 320 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.280 320 G C -0.345 174.520 174.900 -0.059 0.000 1.067 320 G CA 0.115 45.201 45.100 -0.023 0.000 0.902 320 G HN 0.722 nan 8.290 nan 0.000 0.500 321 L N -0.365 120.810 121.223 -0.080 0.000 2.325 321 L HA 0.745 5.085 4.340 -0.000 0.000 0.281 321 L C 0.072 176.839 176.870 -0.171 0.000 1.004 321 L CA -0.851 53.880 54.840 -0.182 0.000 0.823 321 L CB 0.880 42.740 42.059 -0.333 0.000 1.236 321 L HN 0.130 nan 8.230 nan 0.000 0.415 322 K N 4.679 124.974 120.400 -0.176 0.000 2.267 322 K HA 0.553 4.873 4.320 -0.000 0.000 0.246 322 K C -1.302 175.167 176.600 -0.219 0.000 0.954 322 K CA -0.976 55.232 56.287 -0.132 0.000 0.824 322 K CB 2.606 35.056 32.500 -0.083 0.000 1.167 322 K HN 0.354 nan 8.250 nan 0.000 0.431 323 I N 1.819 122.296 120.570 -0.156 0.000 2.321 323 I HA 0.225 4.395 4.170 -0.000 0.000 0.291 323 I C -0.544 175.387 176.117 -0.309 0.000 0.998 323 I CA -0.434 60.718 61.300 -0.247 0.000 1.227 323 I CB 1.617 39.534 38.000 -0.138 0.000 1.368 323 I HN 0.251 nan 8.210 nan 0.000 0.466 324 V N 7.673 127.308 119.914 -0.466 0.000 2.960 324 V HA 0.507 4.627 4.120 -0.000 0.000 0.315 324 V C -1.505 174.285 176.094 -0.507 0.000 1.087 324 V CA -0.548 61.507 62.300 -0.407 0.000 0.982 324 V CB 2.206 33.685 31.823 -0.574 0.000 1.039 324 V HN 0.523 nan 8.190 nan 0.000 0.437 325 Y N 4.866 125.161 120.300 -0.008 0.000 2.805 325 Y HA 0.447 4.997 4.550 -0.000 0.000 0.339 325 Y C -1.818 174.168 175.900 0.145 0.000 1.012 325 Y CA -1.754 56.374 58.100 0.047 0.000 1.262 325 Y CB 1.181 39.661 38.460 0.034 0.000 1.100 325 Y HN 0.532 nan 8.280 nan 0.000 0.559 326 P HA -0.124 nan 4.420 nan 0.000 0.220 326 P C -0.639 176.984 177.300 0.538 0.000 1.152 326 P CA 1.240 64.606 63.100 0.443 0.000 0.812 326 P CB 0.442 32.406 31.700 0.439 0.000 0.792 327 Y N 0.031 120.508 120.300 0.294 0.000 2.361 327 Y HA 0.565 5.115 4.550 -0.000 0.000 0.328 327 Y C -1.897 174.136 175.900 0.221 0.000 1.044 327 Y CA -1.689 56.586 58.100 0.292 0.000 1.085 327 Y CB 1.223 39.830 38.460 0.245 0.000 1.194 327 Y HN -0.311 nan 8.280 nan 0.000 0.438 328 D N 3.680 123.929 120.400 -0.252 0.000 2.575 328 D HA 0.170 4.810 4.640 -0.000 0.000 0.250 328 D C 0.398 176.509 176.300 -0.315 0.000 1.279 328 D CA -0.153 53.680 54.000 -0.279 0.000 0.925 328 D CB 2.332 43.092 40.800 -0.067 0.000 1.261 328 D HN 0.664 nan 8.370 nan 0.000 0.567 329 T N 1.768 116.082 114.554 -0.400 0.000 2.929 329 T HA -0.099 4.251 4.350 -0.000 0.000 0.271 329 T C 1.499 176.246 174.700 0.078 0.000 1.085 329 T CA 1.995 64.024 62.100 -0.118 0.000 1.125 329 T CB 0.191 69.047 68.868 -0.020 0.000 0.874 329 T HN 0.453 nan 8.240 nan 0.000 0.494 330 T N 2.067 116.640 114.554 0.032 0.000 2.643 330 T HA -0.055 4.295 4.350 -0.000 0.000 0.264 330 T C -0.528 174.241 174.700 0.114 0.000 1.045 330 T CA 1.381 63.516 62.100 0.059 0.000 1.155 330 T CB -1.218 67.654 68.868 0.006 0.000 0.863 330 T HN 0.364 nan 8.240 nan 0.000 0.420 331 P HA -0.110 nan 4.420 nan 0.000 0.216 331 P C 1.232 178.721 177.300 0.316 0.000 1.154 331 P CA 0.932 64.160 63.100 0.214 0.000 0.865 331 P CB -0.178 31.667 31.700 0.242 0.000 0.789 332 F N -0.024 120.058 119.950 0.220 0.000 2.171 332 F HA -0.188 4.339 4.527 -0.000 0.000 0.300 332 F C 1.947 177.786 175.800 0.066 0.000 1.090 332 F CA 1.319 59.407 58.000 0.146 0.000 1.293 332 F CB -0.653 38.435 39.000 0.146 0.000 1.013 332 F HN -0.289 nan 8.300 nan 0.000 0.486 333 V N 0.353 120.348 119.914 0.136 0.000 2.427 333 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 333 V C 2.392 178.465 176.094 -0.036 0.000 1.051 333 V CA 1.796 64.106 62.300 0.016 0.000 1.048 333 V CB -0.689 31.167 31.823 0.055 0.000 0.666 333 V HN 0.230 nan 8.190 nan 0.000 0.456 334 K N -0.211 120.192 120.400 0.005 0.000 2.020 334 K HA -0.227 4.093 4.320 -0.000 0.000 0.212 334 K C 2.082 178.674 176.600 -0.014 0.000 1.050 334 K CA 1.921 58.209 56.287 0.001 0.000 0.929 334 K CB -0.456 32.057 32.500 0.021 0.000 0.714 334 K HN 0.311 nan 8.250 nan 0.000 0.443 335 I N 1.199 121.738 120.570 -0.051 0.000 2.208 335 I HA -0.309 3.861 4.170 -0.000 0.000 0.245 335 I C 2.276 178.309 176.117 -0.140 0.000 1.097 335 I CA 1.334 62.578 61.300 -0.093 0.000 1.363 335 I CB -0.220 37.647 38.000 -0.221 0.000 1.051 335 I HN 0.072 nan 8.210 nan 0.000 0.413 336 S N 0.445 116.004 115.700 -0.234 0.000 2.344 336 S HA -0.168 4.302 4.470 -0.000 0.000 0.217 336 S C 2.066 176.559 174.600 -0.179 0.000 1.033 336 S CA 1.630 59.704 58.200 -0.210 0.000 1.017 336 S CB -0.539 62.545 63.200 -0.192 0.000 0.941 336 S HN 0.337 nan 8.310 nan 0.000 0.430 337 I N 1.011 121.514 120.570 -0.111 0.000 2.118 337 I HA -0.306 3.864 4.170 -0.000 0.000 0.241 337 I C 2.544 178.631 176.117 -0.050 0.000 1.070 337 I CA 2.049 63.303 61.300 -0.077 0.000 1.327 337 I CB -0.570 37.411 38.000 -0.031 0.000 1.034 337 I HN 0.351 nan 8.210 nan 0.000 0.405 338 H N 1.208 120.221 119.070 -0.094 0.000 2.319 338 H HA -0.190 4.366 4.556 0.000 0.000 0.297 338 H C 2.075 177.357 175.328 -0.077 0.000 1.097 338 H CA 1.911 57.917 56.048 -0.069 0.000 1.285 338 H CB 0.036 29.769 29.762 -0.048 0.000 1.368 338 H HN 0.230 nan 8.280 nan 0.000 0.495 339 E N -0.284 119.821 120.200 -0.159 0.000 2.274 339 E HA -0.061 4.288 4.350 -0.000 0.000 0.194 339 E C 2.469 178.936 176.600 -0.222 0.000 0.996 339 E CA 0.692 56.973 56.400 -0.198 0.000 0.840 339 E CB 0.014 29.659 29.700 -0.091 0.000 0.772 339 E HN 0.380 nan 8.360 nan 0.000 0.491 340 V N 0.627 120.373 119.914 -0.281 0.000 2.407 340 V HA -0.151 3.969 4.120 -0.000 0.000 0.245 340 V C 2.433 178.421 176.094 -0.177 0.000 1.041 340 V CA 0.870 62.979 62.300 -0.318 0.000 1.040 340 V CB -0.158 31.402 31.823 -0.439 0.000 0.671 340 V HN 0.051 nan 8.190 nan 0.000 0.455 341 V N 0.104 119.930 119.914 -0.147 0.000 2.407 341 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 341 V C 2.407 178.428 176.094 -0.121 0.000 1.055 341 V CA 2.277 64.520 62.300 -0.094 0.000 1.049 341 V CB -0.636 31.148 31.823 -0.065 0.000 0.662 341 V HN 0.543 nan 8.190 nan 0.000 0.455 342 K N -0.101 120.170 120.400 -0.215 0.000 2.026 342 K HA -0.201 4.119 4.320 -0.000 0.000 0.208 342 K C 2.205 178.747 176.600 -0.096 0.000 1.048 342 K CA 2.066 58.235 56.287 -0.197 0.000 0.929 342 K CB -0.336 31.984 32.500 -0.300 0.000 0.713 342 K HN 0.500 nan 8.250 nan 0.000 0.439 343 T N 2.181 116.686 114.554 -0.082 0.000 2.720 343 T HA -0.152 4.198 4.350 -0.000 0.000 0.268 343 T C 1.835 176.538 174.700 0.007 0.000 1.037 343 T CA 1.410 63.498 62.100 -0.020 0.000 1.144 343 T CB -0.171 68.694 68.868 -0.004 0.000 0.864 343 T HN 0.157 nan 8.240 nan 0.000 0.444 344 L N 0.539 121.755 121.223 -0.012 0.000 1.976 344 L HA -0.113 4.227 4.340 -0.000 0.000 0.209 344 L C 2.732 179.610 176.870 0.013 0.000 1.071 344 L CA 1.191 56.036 54.840 0.008 0.000 0.746 344 L CB -0.844 41.217 42.059 0.003 0.000 0.890 344 L HN 0.146 nan 8.230 nan 0.000 0.432 345 V N -0.122 119.790 119.914 -0.004 0.000 2.287 345 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 345 V C 2.381 178.481 176.094 0.011 0.000 1.053 345 V CA 1.905 64.205 62.300 -0.001 0.000 1.027 345 V CB -0.529 31.283 31.823 -0.017 0.000 0.646 345 V HN 0.457 nan 8.190 nan 0.000 0.447 346 E N -0.113 120.092 120.200 0.009 0.000 2.153 346 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 346 E C 2.293 178.928 176.600 0.058 0.000 0.988 346 E CA 1.149 57.565 56.400 0.028 0.000 0.811 346 E CB -0.271 29.441 29.700 0.019 0.000 0.746 346 E HN 0.623 nan 8.360 nan 0.000 0.466 347 A N 1.075 123.934 122.820 0.066 0.000 1.898 347 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 347 A C 2.128 179.766 177.584 0.091 0.000 1.181 347 A CA 1.043 53.138 52.037 0.097 0.000 0.620 347 A CB -0.491 18.576 19.000 0.112 0.000 0.819 347 A HN 0.134 nan 8.150 nan 0.000 0.442 348 I N -0.270 120.341 120.570 0.068 0.000 2.252 348 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 348 I C 2.187 178.370 176.117 0.109 0.000 1.102 348 I CA 1.276 62.619 61.300 0.072 0.000 1.385 348 I CB -0.380 37.647 38.000 0.045 0.000 1.064 348 I HN 0.269 nan 8.210 nan 0.000 0.414 349 I N 0.436 121.058 120.570 0.086 0.000 2.286 349 I HA -0.278 3.892 4.170 -0.000 0.000 0.248 349 I C 2.376 178.613 176.117 0.200 0.000 1.115 349 I CA 1.428 62.791 61.300 0.106 0.000 1.392 349 I CB -0.325 37.699 38.000 0.040 0.000 1.065 349 I HN 0.203 nan 8.210 nan 0.000 0.418 350 L N -0.156 121.162 121.223 0.157 0.000 2.217 350 L HA -0.133 4.207 4.340 -0.000 0.000 0.211 350 L C 2.458 179.432 176.870 0.174 0.000 1.107 350 L CA 0.646 55.586 54.840 0.166 0.000 0.783 350 L CB -0.304 41.835 42.059 0.134 0.000 0.919 350 L HN 0.090 nan 8.230 nan 0.000 0.442 351 V N -0.769 119.240 119.914 0.159 0.000 2.358 351 V HA -0.305 3.815 4.120 -0.000 0.000 0.246 351 V C 2.192 178.383 176.094 0.162 0.000 1.047 351 V CA 1.735 64.111 62.300 0.126 0.000 1.035 351 V CB -0.734 31.142 31.823 0.089 0.000 0.658 351 V HN 0.341 nan 8.190 nan 0.000 0.452 352 F N 0.752 120.744 119.950 0.070 0.000 2.065 352 F HA -0.244 4.283 4.527 0.000 0.000 0.298 352 F C 2.049 177.945 175.800 0.160 0.000 1.112 352 F CA 1.955 60.010 58.000 0.090 0.000 1.212 352 F CB -0.206 38.837 39.000 0.072 0.000 0.975 352 F HN 0.024 nan 8.300 nan 0.000 0.476 353 L N -0.772 120.652 121.223 0.335 0.000 2.072 353 L HA -0.162 4.178 4.340 -0.000 0.000 0.205 353 L C 2.221 179.226 176.870 0.225 0.000 1.079 353 L CA 0.733 55.745 54.840 0.286 0.000 0.752 353 L CB -0.671 41.573 42.059 0.308 0.000 0.906 353 L HN 0.001 nan 8.230 nan 0.000 0.436 354 V N -0.757 119.273 119.914 0.193 0.000 2.871 354 V HA -0.208 3.912 4.120 -0.000 0.000 0.256 354 V C 2.219 178.406 176.094 0.156 0.000 1.082 354 V CA 1.229 63.650 62.300 0.202 0.000 1.105 354 V CB -0.105 31.809 31.823 0.152 0.000 0.713 354 V HN 0.380 nan 8.190 nan 0.000 0.473 355 M N -0.926 118.718 119.600 0.073 0.000 2.193 355 M HA -0.077 4.403 4.480 -0.000 0.000 0.265 355 M C 2.037 178.365 176.300 0.046 0.000 1.071 355 M CA 1.805 57.113 55.300 0.013 0.000 1.140 355 M CB -0.362 32.212 32.600 -0.044 0.000 1.369 355 M HN 0.397 nan 8.290 nan 0.000 0.423 356 Y N 0.344 120.572 120.300 -0.120 0.000 2.153 356 Y HA -0.004 4.546 4.550 0.000 0.000 0.289 356 Y C 1.094 177.034 175.900 0.066 0.000 1.127 356 Y CA 1.563 59.606 58.100 -0.094 0.000 1.131 356 Y CB -0.213 38.104 38.460 -0.239 0.000 0.995 356 Y HN 0.125 nan 8.280 nan 0.000 0.505 357 L N 0.171 121.503 121.223 0.182 0.000 2.798 357 L HA -0.020 4.320 4.340 -0.000 0.000 0.254 357 L C 0.394 177.304 176.870 0.068 0.000 1.176 357 L CA 0.636 55.563 54.840 0.146 0.000 0.991 357 L CB -0.617 41.594 42.059 0.254 0.000 1.225 357 L HN 0.339 nan 8.230 nan 0.000 0.420 358 F N -2.252 117.641 119.950 -0.096 0.000 2.072 358 F HA 0.158 4.685 4.527 -0.000 0.000 0.284 358 F C 1.413 177.115 175.800 -0.165 0.000 0.941 358 F CA -0.106 57.799 58.000 -0.159 0.000 1.151 358 F CB 0.530 39.426 39.000 -0.173 0.000 1.308 358 F HN -0.228 nan 8.300 nan 0.000 0.677 359 L N 1.530 122.807 121.223 0.090 0.000 2.607 359 L HA 0.095 4.435 4.340 -0.000 0.000 0.228 359 L C 0.256 177.072 176.870 -0.091 0.000 1.123 359 L CA 0.194 55.034 54.840 -0.001 0.000 0.890 359 L CB -0.421 41.632 42.059 -0.009 0.000 1.103 359 L HN 0.231 nan 8.230 nan 0.000 0.468 360 Q N 1.019 120.681 119.800 -0.229 0.000 2.413 360 Q HA -0.301 4.039 4.340 -0.000 0.000 0.364 360 Q C -0.574 175.293 176.000 -0.221 0.000 1.359 360 Q CA 0.894 56.417 55.803 -0.466 0.000 1.097 360 Q CB -2.147 26.384 28.738 -0.345 0.000 1.286 360 Q HN 0.728 nan 8.270 nan 0.000 0.358 361 N N -0.106 118.563 118.700 -0.052 0.000 2.578 361 N HA 0.215 4.955 4.740 -0.000 0.000 0.282 361 N C -0.633 175.026 175.510 0.248 0.000 1.119 361 N CA -0.509 52.611 53.050 0.117 0.000 0.948 361 N CB 0.681 39.192 38.487 0.039 0.000 1.546 361 N HN 0.193 nan 8.380 nan 0.000 0.525 362 F N 4.845 124.901 119.950 0.177 0.000 2.325 362 F HA 0.047 4.574 4.527 -0.000 0.000 0.299 362 F C 2.433 178.293 175.800 0.100 0.000 1.090 362 F CA 1.378 59.456 58.000 0.130 0.000 1.392 362 F CB 0.239 39.306 39.000 0.112 0.000 1.053 362 F HN 0.591 nan 8.300 nan 0.000 0.521 363 R N 0.069 120.588 120.500 0.032 0.000 2.161 363 R HA 0.182 4.522 4.340 -0.000 0.000 0.213 363 R C 2.107 178.370 176.300 -0.062 0.000 1.055 363 R CA 0.986 57.056 56.100 -0.051 0.000 0.996 363 R CB -0.958 29.370 30.300 0.047 0.000 0.901 363 R HN 0.191 nan 8.270 nan 0.000 0.456 364 A N 0.968 123.768 122.820 -0.033 0.000 1.968 364 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 364 A C 2.164 179.707 177.584 -0.068 0.000 1.169 364 A CA 1.675 53.689 52.037 -0.039 0.000 0.638 364 A CB -0.593 18.394 19.000 -0.022 0.000 0.812 364 A HN 0.388 nan 8.150 nan 0.000 0.446 365 T N -1.078 113.408 114.554 -0.114 0.000 3.100 365 T HA 0.217 4.567 4.350 -0.000 0.000 0.253 365 T C 1.399 176.049 174.700 -0.084 0.000 1.118 365 T CA 0.391 62.401 62.100 -0.149 0.000 1.058 365 T CB -0.434 68.225 68.868 -0.348 0.000 0.953 365 T HN 0.353 nan 8.240 nan 0.000 0.515 366 L N -0.065 121.079 121.223 -0.132 0.000 2.375 366 L HA 0.257 4.597 4.340 -0.000 0.000 0.215 366 L C 2.122 178.978 176.870 -0.023 0.000 1.108 366 L CA 0.412 55.202 54.840 -0.083 0.000 0.830 366 L CB -0.149 41.804 42.059 -0.176 0.000 0.959 366 L HN 0.303 nan 8.230 nan 0.000 0.457 367 I N 0.618 121.167 120.570 -0.034 0.000 2.179 367 I HA -0.202 3.968 4.170 -0.000 0.000 0.242 367 I C -0.435 175.659 176.117 -0.038 0.000 1.088 367 I CA 1.411 62.689 61.300 -0.036 0.000 1.357 367 I CB -1.364 36.608 38.000 -0.047 0.000 1.051 367 I HN 0.215 nan 8.210 nan 0.000 0.409 368 P HA -0.073 nan 4.420 nan 0.000 0.223 368 P C 1.473 178.777 177.300 0.006 0.000 1.151 368 P CA 1.266 64.355 63.100 -0.018 0.000 0.787 368 P CB -0.166 31.530 31.700 -0.008 0.000 0.788 369 T N -0.598 113.976 114.554 0.033 0.000 2.867 369 T HA -0.049 4.301 4.350 -0.000 0.000 0.268 369 T C 1.696 176.415 174.700 0.031 0.000 1.057 369 T CA 1.095 63.224 62.100 0.050 0.000 1.136 369 T CB -0.691 68.222 68.868 0.075 0.000 0.874 369 T HN 0.127 nan 8.240 nan 0.000 0.466 370 I N 1.089 121.672 120.570 0.022 0.000 2.480 370 I HA 0.069 4.239 4.170 -0.000 0.000 0.251 370 I C 2.923 179.025 176.117 -0.025 0.000 1.124 370 I CA 0.606 61.921 61.300 0.026 0.000 1.444 370 I CB -0.479 37.551 38.000 0.050 0.000 1.098 370 I HN 0.139 nan 8.210 nan 0.000 0.428 371 A N 1.276 124.062 122.820 -0.057 0.000 1.858 371 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 371 A C 2.457 180.003 177.584 -0.063 0.000 1.190 371 A CA 2.431 54.417 52.037 -0.085 0.000 0.617 371 A CB -1.101 17.843 19.000 -0.092 0.000 0.827 371 A HN 0.332 nan 8.150 nan 0.000 0.443 372 V N -2.994 116.895 119.914 -0.041 0.000 2.379 372 V HA -0.039 4.081 4.120 -0.000 0.000 0.245 372 V C -0.332 175.749 176.094 -0.023 0.000 1.044 372 V CA 1.534 63.811 62.300 -0.038 0.000 1.036 372 V CB -2.096 29.708 31.823 -0.032 0.000 0.664 372 V HN 0.337 nan 8.190 nan 0.000 0.453 373 P HA -0.044 nan 4.420 nan 0.000 0.217 373 P C 2.119 179.431 177.300 0.021 0.000 1.150 373 P CA 1.361 64.474 63.100 0.021 0.000 0.832 373 P CB -0.153 31.567 31.700 0.032 0.000 0.787 374 V N -0.283 119.632 119.914 0.002 0.000 2.287 374 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 374 V C 2.461 178.538 176.094 -0.027 0.000 1.053 374 V CA 1.892 64.187 62.300 -0.009 0.000 1.027 374 V CB -1.207 30.592 31.823 -0.040 0.000 0.646 374 V HN -0.030 nan 8.190 nan 0.000 0.447 375 V N -0.391 119.492 119.914 -0.052 0.000 2.295 375 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 375 V C 2.287 178.332 176.094 -0.081 0.000 1.049 375 V CA 2.126 64.380 62.300 -0.075 0.000 1.024 375 V CB -0.562 31.207 31.823 -0.090 0.000 0.648 375 V HN 0.428 nan 8.190 nan 0.000 0.447 376 L N -0.815 120.371 121.223 -0.062 0.000 1.970 376 L HA -0.220 4.120 4.340 -0.000 0.000 0.212 376 L C 2.455 179.330 176.870 0.009 0.000 1.071 376 L CA 1.701 56.492 54.840 -0.083 0.000 0.751 376 L CB -0.638 41.417 42.059 -0.007 0.000 0.889 376 L HN 0.263 nan 8.230 nan 0.000 0.432 377 L N -0.368 120.946 121.223 0.152 0.000 2.081 377 L HA -0.204 4.136 4.340 -0.000 0.000 0.212 377 L C 2.584 179.551 176.870 0.160 0.000 1.080 377 L CA 1.485 56.476 54.840 0.252 0.000 0.754 377 L CB -1.049 41.086 42.059 0.127 0.000 0.893 377 L HN 0.365 nan 8.230 nan 0.000 0.433 378 G N -1.333 107.488 108.800 0.035 0.000 2.408 378 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.217 378 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.217 378 G C 1.561 176.421 174.900 -0.068 0.000 1.150 378 G CA 1.131 46.219 45.100 -0.019 0.000 0.776 378 G HN 0.317 nan 8.290 nan 0.000 0.542 379 T N 1.208 115.675 114.554 -0.146 0.000 2.708 379 T HA -0.095 4.255 4.350 -0.000 0.000 0.266 379 T C 2.042 176.603 174.700 -0.233 0.000 1.037 379 T CA 1.077 63.026 62.100 -0.252 0.000 1.146 379 T CB -0.409 68.232 68.868 -0.377 0.000 0.865 379 T HN 0.279 nan 8.240 nan 0.000 0.435 380 F N 1.865 121.766 119.950 -0.080 0.000 2.091 380 F HA -0.153 4.375 4.527 0.000 0.000 0.299 380 F C 2.799 178.555 175.800 -0.074 0.000 1.103 380 F CA 0.966 58.927 58.000 -0.065 0.000 1.228 380 F CB -0.676 38.297 39.000 -0.046 0.000 0.984 380 F HN 0.139 nan 8.300 nan 0.000 0.477 381 A N -0.015 122.867 122.820 0.103 0.000 1.908 381 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 381 A C 2.297 179.827 177.584 -0.091 0.000 1.181 381 A CA 2.126 54.168 52.037 0.008 0.000 0.627 381 A CB -1.243 17.750 19.000 -0.011 0.000 0.818 381 A HN 0.201 nan 8.150 nan 0.000 0.445 382 V N -0.073 119.741 119.914 -0.167 0.000 2.358 382 V HA -0.224 3.896 4.120 -0.000 0.000 0.246 382 V C 2.524 178.410 176.094 -0.345 0.000 1.047 382 V CA 1.786 63.879 62.300 -0.346 0.000 1.035 382 V CB -0.787 30.823 31.823 -0.356 0.000 0.658 382 V HN 0.556 nan 8.190 nan 0.000 0.452 383 L N 0.199 121.310 121.223 -0.187 0.000 2.083 383 L HA -0.150 4.190 4.340 -0.000 0.000 0.209 383 L C 2.746 179.674 176.870 0.097 0.000 1.083 383 L CA 1.489 56.283 54.840 -0.076 0.000 0.752 383 L CB -0.776 41.266 42.059 -0.028 0.000 0.899 383 L HN 0.362 nan 8.230 nan 0.000 0.433 384 A N 0.095 122.950 122.820 0.058 0.000 1.877 384 A HA -0.189 4.131 4.320 -0.000 0.000 0.216 384 A C 2.556 180.172 177.584 0.053 0.000 1.186 384 A CA 1.773 53.855 52.037 0.074 0.000 0.620 384 A CB -0.742 18.287 19.000 0.049 0.000 0.822 384 A HN 0.397 nan 8.150 nan 0.000 0.443 385 A N -0.845 121.943 122.820 -0.053 0.000 1.883 385 A HA -0.066 4.254 4.320 -0.000 0.000 0.217 385 A C 1.798 179.441 177.584 0.099 0.000 1.186 385 A CA 1.346 53.332 52.037 -0.086 0.000 0.624 385 A CB -0.813 17.997 19.000 -0.317 0.000 0.822 385 A HN 0.564 nan 8.150 nan 0.000 0.444 386 F N -0.019 120.006 119.950 0.124 0.000 2.725 386 F HA 0.297 4.824 4.527 -0.000 0.000 0.303 386 F C 1.751 177.748 175.800 0.328 0.000 1.167 386 F CA 0.110 58.239 58.000 0.216 0.000 1.403 386 F CB -0.158 38.975 39.000 0.222 0.000 1.077 386 F HN 0.417 nan 8.300 nan 0.000 0.537 387 G N 0.760 109.784 108.800 0.373 0.000 2.225 387 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.267 387 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.267 387 G C 0.138 175.160 174.900 0.203 0.000 1.024 387 G CA -0.213 45.023 45.100 0.227 0.000 0.784 387 G HN 0.359 nan 8.290 nan 0.000 0.507 388 F N 0.780 120.788 119.950 0.097 0.000 2.373 388 F HA 0.586 5.113 4.527 -0.000 0.000 0.302 388 F C 1.331 177.169 175.800 0.062 0.000 1.247 388 F CA 0.392 58.438 58.000 0.076 0.000 1.169 388 F CB 1.049 40.097 39.000 0.080 0.000 1.309 388 F HN 0.347 nan 8.300 nan 0.000 0.537 389 S N -0.439 115.405 115.700 0.240 0.000 2.667 389 S HA 0.624 5.094 4.470 -0.000 0.000 0.292 389 S C -0.961 173.735 174.600 0.160 0.000 1.126 389 S CA -0.948 57.343 58.200 0.151 0.000 0.881 389 S CB 1.383 64.632 63.200 0.081 0.000 1.132 389 S HN 0.406 nan 8.310 nan 0.000 0.492 390 I N 3.173 123.817 120.570 0.123 0.000 2.347 390 I HA 0.307 4.477 4.170 -0.000 0.000 0.294 390 I C -0.167 175.989 176.117 0.064 0.000 1.090 390 I CA 0.005 61.374 61.300 0.115 0.000 1.314 390 I CB -0.546 37.511 38.000 0.095 0.000 1.423 390 I HN 0.812 nan 8.210 nan 0.000 0.503 391 N N 1.444 120.178 118.700 0.057 0.000 2.610 391 N HA 0.338 5.078 4.740 -0.000 0.000 0.264 391 N C 0.445 175.962 175.510 0.011 0.000 1.348 391 N CA -0.847 52.212 53.050 0.016 0.000 0.819 391 N CB 0.812 39.320 38.487 0.034 0.000 1.521 391 N HN 0.179 nan 8.380 nan 0.000 0.497 392 T N 0.170 114.705 114.554 -0.031 0.000 2.653 392 T HA -0.228 4.122 4.350 -0.000 0.000 0.267 392 T C 1.500 176.374 174.700 0.289 0.000 1.037 392 T CA 1.939 64.110 62.100 0.118 0.000 1.159 392 T CB -0.585 68.306 68.868 0.038 0.000 0.859 392 T HN 0.454 nan 8.240 nan 0.000 0.449 393 L N 1.083 122.409 121.223 0.172 0.000 2.056 393 L HA -0.069 4.271 4.340 -0.000 0.000 0.207 393 L C 3.138 179.820 176.870 -0.314 0.000 1.078 393 L CA 1.643 56.414 54.840 -0.116 0.000 0.749 393 L CB -1.304 40.604 42.059 -0.251 0.000 0.901 393 L HN 0.467 nan 8.230 nan 0.000 0.433 394 T N -3.475 111.014 114.554 -0.108 0.000 2.951 394 T HA -0.082 4.268 4.350 -0.000 0.000 0.268 394 T C 1.885 176.563 174.700 -0.037 0.000 1.073 394 T CA 0.631 62.691 62.100 -0.067 0.000 1.134 394 T CB -0.054 68.837 68.868 0.039 0.000 0.884 394 T HN 0.016 nan 8.240 nan 0.000 0.479 395 M N 0.395 119.988 119.600 -0.012 0.000 2.193 395 M HA 0.292 4.772 4.480 -0.000 0.000 0.265 395 M C 1.837 178.061 176.300 -0.127 0.000 1.071 395 M CA 0.836 56.086 55.300 -0.083 0.000 1.140 395 M CB -1.305 31.207 32.600 -0.147 0.000 1.369 395 M HN 0.283 nan 8.290 nan 0.000 0.423 396 F N 0.047 120.060 119.950 0.105 0.000 2.558 396 F HA 0.054 4.580 4.527 -0.000 0.000 0.298 396 F C 2.360 178.345 175.800 0.308 0.000 1.119 396 F CA 0.675 58.802 58.000 0.211 0.000 1.451 396 F CB -0.657 38.532 39.000 0.315 0.000 1.091 396 F HN 0.226 nan 8.300 nan 0.000 0.563 397 G N -0.189 108.819 108.800 0.346 0.000 2.422 397 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.218 397 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.218 397 G C 1.662 176.661 174.900 0.164 0.000 1.146 397 G CA 0.596 45.894 45.100 0.330 0.000 0.769 397 G HN 0.260 nan 8.290 nan 0.000 0.547 398 M N -0.191 119.440 119.600 0.051 0.000 2.287 398 M HA 0.055 4.535 4.480 -0.000 0.000 0.266 398 M C 2.607 178.925 176.300 0.031 0.000 1.079 398 M CA 0.481 55.764 55.300 -0.030 0.000 1.146 398 M CB 0.116 32.637 32.600 -0.132 0.000 1.374 398 M HN 0.092 nan 8.290 nan 0.000 0.435 399 V N 0.498 120.461 119.914 0.082 0.000 2.490 399 V HA -0.238 3.882 4.120 -0.000 0.000 0.250 399 V C 2.196 178.441 176.094 0.252 0.000 1.061 399 V CA 1.169 63.555 62.300 0.144 0.000 1.064 399 V CB -0.512 31.398 31.823 0.146 0.000 0.670 399 V HN 0.366 nan 8.190 nan 0.000 0.461 400 L N 0.105 121.495 121.223 0.279 0.000 2.275 400 L HA 0.057 4.397 4.340 -0.000 0.000 0.215 400 L C 2.208 179.207 176.870 0.216 0.000 1.119 400 L CA 1.989 57.011 54.840 0.304 0.000 0.790 400 L CB -1.013 41.245 42.059 0.332 0.000 0.919 400 L HN 0.325 nan 8.230 nan 0.000 0.443 401 A N -1.535 121.340 122.820 0.092 0.000 2.303 401 A HA 0.157 4.477 4.320 -0.000 0.000 0.217 401 A C 2.018 179.528 177.584 -0.123 0.000 1.205 401 A CA 0.094 52.103 52.037 -0.048 0.000 0.875 401 A CB -0.318 18.616 19.000 -0.110 0.000 0.910 401 A HN 0.383 nan 8.150 nan 0.000 0.501 402 I N -0.624 119.899 120.570 -0.079 0.000 2.226 402 I HA -0.094 4.076 4.170 -0.000 0.000 0.245 402 I C 2.495 178.383 176.117 -0.382 0.000 1.100 402 I CA 1.267 62.486 61.300 -0.134 0.000 1.374 402 I CB -1.075 36.936 38.000 0.019 0.000 1.057 402 I HN 0.178 nan 8.210 nan 0.000 0.413 403 G N 2.003 110.217 108.800 -0.977 0.000 2.556 403 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.220 403 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.220 403 G C 1.576 176.116 174.900 -0.599 0.000 1.156 403 G CA 1.214 45.407 45.100 -1.513 0.000 0.766 403 G HN 0.241 nan 8.290 nan 0.000 0.583 404 L N 0.331 121.324 121.223 -0.384 0.000 2.027 404 L HA 0.099 4.439 4.340 -0.000 0.000 0.206 404 L C 2.977 179.750 176.870 -0.162 0.000 1.074 404 L CA 1.045 55.769 54.840 -0.194 0.000 0.745 404 L CB -0.745 41.245 42.059 -0.116 0.000 0.898 404 L HN 0.218 nan 8.230 nan 0.000 0.433 405 L N -2.043 119.079 121.223 -0.168 0.000 2.017 405 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 405 L C 2.474 179.274 176.870 -0.117 0.000 1.073 405 L CA 0.744 55.507 54.840 -0.129 0.000 0.745 405 L CB -0.911 41.077 42.059 -0.118 0.000 0.894 405 L HN 0.052 nan 8.230 nan 0.000 0.432 406 V N 0.510 120.342 119.914 -0.135 0.000 2.287 406 V HA -0.352 3.768 4.120 -0.000 0.000 0.248 406 V C 2.284 178.316 176.094 -0.102 0.000 1.053 406 V CA 2.336 64.574 62.300 -0.104 0.000 1.027 406 V CB -0.558 31.204 31.823 -0.102 0.000 0.646 406 V HN 0.502 nan 8.190 nan 0.000 0.447 407 D N -0.252 120.070 120.400 -0.130 0.000 2.123 407 D HA -0.218 4.422 4.640 -0.000 0.000 0.196 407 D C 1.833 178.082 176.300 -0.084 0.000 0.992 407 D CA 1.462 55.399 54.000 -0.104 0.000 0.833 407 D CB -0.154 40.583 40.800 -0.105 0.000 0.954 407 D HN 0.392 nan 8.370 nan 0.000 0.455 408 D N -0.625 119.725 120.400 -0.083 0.000 2.117 408 D HA -0.103 4.537 4.640 -0.000 0.000 0.197 408 D C 1.954 178.212 176.300 -0.070 0.000 0.987 408 D CA 1.308 55.265 54.000 -0.071 0.000 0.829 408 D CB -0.378 40.378 40.800 -0.073 0.000 0.961 408 D HN 0.323 nan 8.370 nan 0.000 0.460 409 A N 0.436 123.212 122.820 -0.073 0.000 1.930 409 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 409 A C 2.376 179.921 177.584 -0.066 0.000 1.175 409 A CA 0.723 52.719 52.037 -0.069 0.000 0.627 409 A CB -0.513 18.451 19.000 -0.061 0.000 0.815 409 A HN 0.183 nan 8.150 nan 0.000 0.443 410 I N -0.690 119.837 120.570 -0.072 0.000 2.133 410 I HA -0.193 3.977 4.170 -0.000 0.000 0.238 410 I C 2.373 178.440 176.117 -0.083 0.000 1.074 410 I CA 1.090 62.339 61.300 -0.084 0.000 1.342 410 I CB -0.550 37.389 38.000 -0.101 0.000 1.053 410 I HN 0.129 nan 8.210 nan 0.000 0.404 411 V N 0.826 120.694 119.914 -0.077 0.000 2.278 411 V HA -0.298 3.822 4.120 -0.000 0.000 0.251 411 V C 2.472 178.542 176.094 -0.040 0.000 1.062 411 V CA 1.924 64.185 62.300 -0.064 0.000 1.038 411 V CB -0.533 31.259 31.823 -0.051 0.000 0.646 411 V HN 0.251 nan 8.190 nan 0.000 0.447 412 V N -0.663 119.227 119.914 -0.040 0.000 2.261 412 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 412 V C 2.347 178.422 176.094 -0.032 0.000 1.047 412 V CA 2.084 64.366 62.300 -0.030 0.000 1.015 412 V CB -0.403 31.394 31.823 -0.044 0.000 0.642 412 V HN 0.403 nan 8.190 nan 0.000 0.446 413 V N -0.196 119.690 119.914 -0.045 0.000 2.307 413 V HA -0.223 3.897 4.120 -0.000 0.000 0.245 413 V C 2.609 178.678 176.094 -0.043 0.000 1.045 413 V CA 2.098 64.371 62.300 -0.044 0.000 1.024 413 V CB -0.654 31.138 31.823 -0.052 0.000 0.651 413 V HN 0.599 nan 8.190 nan 0.000 0.449 414 E N 0.787 120.952 120.200 -0.058 0.000 2.070 414 E HA -0.307 4.043 4.350 -0.000 0.000 0.197 414 E C 2.087 178.667 176.600 -0.032 0.000 1.004 414 E CA 2.029 58.391 56.400 -0.064 0.000 0.805 414 E CB -0.356 29.282 29.700 -0.104 0.000 0.744 414 E HN 0.579 nan 8.360 nan 0.000 0.451 415 N N 0.018 118.711 118.700 -0.011 0.000 2.061 415 N HA -0.157 4.583 4.740 -0.000 0.000 0.193 415 N C 1.960 177.485 175.510 0.025 0.000 1.030 415 N CA 1.848 54.919 53.050 0.035 0.000 0.856 415 N CB -0.283 38.249 38.487 0.076 0.000 1.023 415 N HN 0.024 nan 8.380 nan 0.000 0.424 416 V N 1.169 121.086 119.914 0.006 0.000 2.287 416 V HA -0.175 3.945 4.120 -0.000 0.000 0.248 416 V C 2.213 178.301 176.094 -0.009 0.000 1.053 416 V CA 1.625 63.924 62.300 -0.002 0.000 1.027 416 V CB -0.566 31.252 31.823 -0.008 0.000 0.646 416 V HN 0.345 nan 8.190 nan 0.000 0.447 417 E N -0.000 120.190 120.200 -0.017 0.000 2.118 417 E HA -0.227 4.123 4.350 -0.000 0.000 0.195 417 E C 2.358 178.940 176.600 -0.029 0.000 0.992 417 E CA 1.141 57.526 56.400 -0.025 0.000 0.804 417 E CB -0.245 29.439 29.700 -0.028 0.000 0.741 417 E HN 0.511 nan 8.360 nan 0.000 0.458 418 R N 0.685 121.176 120.500 -0.015 0.000 2.075 418 R HA -0.049 4.291 4.340 -0.000 0.000 0.226 418 R C 2.380 178.676 176.300 -0.008 0.000 1.114 418 R CA 0.705 56.801 56.100 -0.007 0.000 0.972 418 R CB -0.066 30.249 30.300 0.025 0.000 0.869 418 R HN -0.015 nan 8.270 nan 0.000 0.437 419 V N 1.531 121.449 119.914 0.007 0.000 2.332 419 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 419 V C 2.462 178.546 176.094 -0.018 0.000 1.055 419 V CA 1.935 64.237 62.300 0.004 0.000 1.038 419 V CB -0.335 31.493 31.823 0.008 0.000 0.651 419 V HN 0.386 nan 8.190 nan 0.000 0.450 420 M N -0.489 119.095 119.600 -0.026 0.000 2.175 420 M HA -0.124 4.356 4.480 -0.000 0.000 0.264 420 M C 2.313 178.577 176.300 -0.061 0.000 1.063 420 M CA 2.031 57.310 55.300 -0.035 0.000 1.119 420 M CB -0.554 32.028 32.600 -0.030 0.000 1.377 420 M HN 0.402 nan 8.290 nan 0.000 0.415 421 A N -0.392 122.371 122.820 -0.094 0.000 2.014 421 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 421 A C 1.939 179.404 177.584 -0.200 0.000 1.163 421 A CA 1.575 53.503 52.037 -0.181 0.000 0.652 421 A CB -0.444 18.397 19.000 -0.264 0.000 0.808 421 A HN 0.505 nan 8.150 nan 0.000 0.449 422 E N -0.937 119.199 120.200 -0.106 0.000 2.140 422 E HA -0.032 4.318 4.350 -0.000 0.000 0.191 422 E C 1.726 178.318 176.600 -0.013 0.000 0.973 422 E CA 0.869 57.246 56.400 -0.038 0.000 0.829 422 E CB 0.149 29.859 29.700 0.017 0.000 0.781 422 E HN 0.710 nan 8.360 nan 0.000 0.466 423 E N -1.748 118.441 120.200 -0.019 0.000 2.364 423 E HA 0.182 4.532 4.350 -0.000 0.000 0.203 423 E C 0.610 177.202 176.600 -0.014 0.000 0.888 423 E CA 0.442 56.836 56.400 -0.010 0.000 0.989 423 E CB 1.311 31.007 29.700 -0.008 0.000 0.985 423 E HN 0.258 nan 8.360 nan 0.000 0.499 424 G N 1.661 110.447 108.800 -0.022 0.000 2.130 424 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.216 424 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.216 424 G C -0.031 174.860 174.900 -0.015 0.000 0.999 424 G CA -0.163 44.925 45.100 -0.020 0.000 0.686 424 G HN 0.061 nan 8.290 nan 0.000 0.515 425 L N 1.578 122.793 121.223 -0.014 0.000 2.395 425 L HA 0.451 4.791 4.340 -0.000 0.000 0.269 425 L C -1.206 175.658 176.870 -0.010 0.000 1.133 425 L CA -2.056 52.778 54.840 -0.011 0.000 0.812 425 L CB 0.706 42.758 42.059 -0.011 0.000 1.125 425 L HN 0.001 nan 8.230 nan 0.000 0.452 426 P HA 0.161 nan 4.420 nan 0.000 0.275 426 P C -2.279 175.019 177.300 -0.003 0.000 1.228 426 P CA -1.470 61.628 63.100 -0.004 0.000 0.786 426 P CB 0.384 32.083 31.700 -0.002 0.000 0.927 427 P HA -0.267 nan 4.420 nan 0.000 0.222 427 P C 1.400 178.700 177.300 0.001 0.000 1.147 427 P CA 2.266 65.366 63.100 0.001 0.000 0.958 427 P CB -0.220 31.484 31.700 0.007 0.000 0.788 428 K N -1.052 119.350 120.400 0.003 0.000 2.063 428 K HA -0.203 4.117 4.320 -0.000 0.000 0.208 428 K C 2.241 178.841 176.600 -0.001 0.000 1.048 428 K CA 1.632 57.921 56.287 0.003 0.000 0.928 428 K CB -0.341 32.161 32.500 0.003 0.000 0.713 428 K HN 0.117 nan 8.250 nan 0.000 0.442 429 E N 0.622 120.820 120.200 -0.003 0.000 2.112 429 E HA -0.049 4.301 4.350 -0.000 0.000 0.190 429 E C 1.718 178.314 176.600 -0.007 0.000 0.979 429 E CA 1.068 57.465 56.400 -0.006 0.000 0.814 429 E CB -0.020 29.676 29.700 -0.007 0.000 0.762 429 E HN 0.287 nan 8.360 nan 0.000 0.460 430 A N -0.358 122.458 122.820 -0.006 0.000 1.930 430 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 430 A C 2.359 179.939 177.584 -0.005 0.000 1.175 430 A CA 1.985 54.017 52.037 -0.007 0.000 0.627 430 A CB -0.964 18.031 19.000 -0.008 0.000 0.815 430 A HN 0.346 nan 8.150 nan 0.000 0.443 431 T N -0.702 113.849 114.554 -0.004 0.000 2.746 431 T HA -0.133 4.217 4.350 -0.000 0.000 0.267 431 T C 2.072 176.771 174.700 -0.002 0.000 1.039 431 T CA 1.435 63.534 62.100 -0.002 0.000 1.142 431 T CB -0.207 68.660 68.868 -0.001 0.000 0.866 431 T HN 0.479 nan 8.240 nan 0.000 0.444 432 R N 0.749 121.247 120.500 -0.003 0.000 2.081 432 R HA -0.079 4.261 4.340 -0.000 0.000 0.235 432 R C 2.511 178.804 176.300 -0.011 0.000 1.131 432 R CA 1.487 57.584 56.100 -0.004 0.000 0.960 432 R CB -0.095 30.202 30.300 -0.005 0.000 0.856 432 R HN 0.233 nan 8.270 nan 0.000 0.436 433 K N 0.234 120.625 120.400 -0.015 0.000 2.025 433 K HA -0.089 4.231 4.320 -0.000 0.000 0.207 433 K C 1.936 178.518 176.600 -0.030 0.000 1.049 433 K CA 2.010 58.282 56.287 -0.025 0.000 0.933 433 K CB -0.138 32.348 32.500 -0.024 0.000 0.714 433 K HN 0.151 nan 8.250 nan 0.000 0.438 434 S N -0.388 115.303 115.700 -0.015 0.000 2.453 434 S HA -0.065 4.405 4.470 -0.000 0.000 0.231 434 S C 1.887 176.488 174.600 0.001 0.000 1.005 434 S CA 0.711 58.910 58.200 -0.002 0.000 0.949 434 S CB -0.197 63.014 63.200 0.019 0.000 0.774 434 S HN 0.195 nan 8.310 nan 0.000 0.510 435 M N 1.674 121.271 119.600 -0.004 0.000 2.236 435 M HA 0.168 4.648 4.480 -0.000 0.000 0.266 435 M C 2.447 178.738 176.300 -0.015 0.000 1.070 435 M CA 1.245 56.543 55.300 -0.003 0.000 1.137 435 M CB -2.058 30.543 32.600 0.002 0.000 1.378 435 M HN 0.550 nan 8.290 nan 0.000 0.426 436 G N -0.228 108.556 108.800 -0.027 0.000 2.450 436 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.220 436 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.220 436 G C 1.524 176.384 174.900 -0.067 0.000 1.130 436 G CA 0.503 45.578 45.100 -0.042 0.000 0.760 436 G HN 0.501 nan 8.290 nan 0.000 0.557 437 Q N -0.503 119.243 119.800 -0.090 0.000 2.230 437 Q HA 0.092 4.432 4.340 -0.000 0.000 0.202 437 Q C 2.250 178.189 176.000 -0.101 0.000 0.963 437 Q CA 1.144 56.844 55.803 -0.171 0.000 0.866 437 Q CB -0.021 28.553 28.738 -0.273 0.000 0.931 437 Q HN 0.843 nan 8.270 nan 0.000 0.452 438 I N -4.847 115.714 120.570 -0.015 0.000 4.338 438 I HA 0.136 4.306 4.170 -0.000 0.000 0.329 438 I C 1.610 177.732 176.117 0.008 0.000 1.378 438 I CA -0.264 61.061 61.300 0.041 0.000 1.170 438 I CB 0.144 38.207 38.000 0.104 0.000 1.206 438 I HN -0.068 nan 8.210 nan 0.000 0.432 439 Q N 2.350 122.143 119.800 -0.012 0.000 1.967 439 Q HA -0.180 4.160 4.340 -0.000 0.000 0.210 439 Q C 2.260 178.242 176.000 -0.030 0.000 1.005 439 Q CA 2.875 58.667 55.803 -0.019 0.000 0.862 439 Q CB -0.500 28.225 28.738 -0.022 0.000 0.939 439 Q HN 0.719 nan 8.270 nan 0.000 0.417 440 G N 0.033 108.808 108.800 -0.042 0.000 2.440 440 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.218 440 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.218 440 G C 1.458 176.314 174.900 -0.073 0.000 1.154 440 G CA 1.103 46.164 45.100 -0.064 0.000 0.767 440 G HN 0.493 nan 8.290 nan 0.000 0.552 441 A N 0.608 123.398 122.820 -0.050 0.000 1.917 441 A HA -0.034 4.286 4.320 -0.000 0.000 0.219 441 A C 2.461 180.027 177.584 -0.030 0.000 1.182 441 A CA 1.611 53.626 52.037 -0.036 0.000 0.633 441 A CB -0.448 18.574 19.000 0.037 0.000 0.819 441 A HN 0.385 nan 8.150 nan 0.000 0.448 442 L N -0.638 120.573 121.223 -0.019 0.000 2.056 442 L HA -0.142 4.198 4.340 -0.000 0.000 0.207 442 L C 2.496 179.347 176.870 -0.031 0.000 1.078 442 L CA 1.055 55.883 54.840 -0.020 0.000 0.749 442 L CB -0.512 41.535 42.059 -0.019 0.000 0.901 442 L HN 0.261 nan 8.230 nan 0.000 0.433 443 V N 0.045 119.934 119.914 -0.041 0.000 2.427 443 V HA -0.178 3.942 4.120 -0.000 0.000 0.248 443 V C 2.622 178.683 176.094 -0.055 0.000 1.051 443 V CA 1.866 64.139 62.300 -0.045 0.000 1.048 443 V CB -1.440 30.352 31.823 -0.051 0.000 0.666 443 V HN 0.556 nan 8.190 nan 0.000 0.456 444 G N 1.415 110.167 108.800 -0.080 0.000 2.421 444 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.216 444 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.216 444 G C 1.547 176.408 174.900 -0.065 0.000 1.171 444 G CA 1.391 46.427 45.100 -0.106 0.000 0.775 444 G HN 0.682 nan 8.290 nan 0.000 0.543 445 I N -0.135 120.412 120.570 -0.039 0.000 2.252 445 I HA 0.160 4.330 4.170 -0.000 0.000 0.245 445 I C 2.763 178.892 176.117 0.019 0.000 1.102 445 I CA 1.553 62.852 61.300 -0.003 0.000 1.385 445 I CB -0.720 37.287 38.000 0.011 0.000 1.064 445 I HN 0.103 nan 8.210 nan 0.000 0.414 446 A N 1.067 123.893 122.820 0.009 0.000 2.019 446 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 446 A C 2.277 179.883 177.584 0.036 0.000 1.164 446 A CA 1.993 54.045 52.037 0.025 0.000 0.644 446 A CB -0.610 18.392 19.000 0.003 0.000 0.805 446 A HN 0.508 nan 8.150 nan 0.000 0.449 447 M N -0.753 118.855 119.600 0.013 0.000 2.193 447 M HA -0.038 4.442 4.480 -0.000 0.000 0.265 447 M C 2.177 178.494 176.300 0.029 0.000 1.071 447 M CA 1.101 56.410 55.300 0.015 0.000 1.140 447 M CB -1.237 31.353 32.600 -0.016 0.000 1.369 447 M HN 0.228 nan 8.290 nan 0.000 0.423 448 V N 0.897 120.823 119.914 0.019 0.000 2.270 448 V HA -0.231 3.889 4.120 -0.000 0.000 0.245 448 V C 2.567 178.689 176.094 0.047 0.000 1.043 448 V CA 1.445 63.760 62.300 0.024 0.000 1.014 448 V CB -0.741 31.089 31.823 0.012 0.000 0.645 448 V HN 0.370 nan 8.190 nan 0.000 0.447 449 L N 0.867 122.144 121.223 0.089 0.000 2.083 449 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 449 L C 2.709 179.758 176.870 0.299 0.000 1.083 449 L CA 1.904 56.856 54.840 0.187 0.000 0.752 449 L CB -0.661 41.567 42.059 0.282 0.000 0.899 449 L HN 0.564 nan 8.230 nan 0.000 0.433 450 S N -0.207 115.624 115.700 0.219 0.000 2.402 450 S HA -0.081 4.389 4.470 -0.000 0.000 0.229 450 S C 1.976 176.677 174.600 0.168 0.000 1.021 450 S CA 0.673 59.004 58.200 0.218 0.000 0.974 450 S CB -0.368 62.917 63.200 0.141 0.000 0.800 450 S HN 0.332 nan 8.310 nan 0.000 0.484 451 A N 1.108 123.989 122.820 0.103 0.000 2.235 451 A HA 0.357 4.677 4.320 -0.000 0.000 0.208 451 A C 2.008 179.627 177.584 0.058 0.000 1.172 451 A CA 0.847 52.926 52.037 0.071 0.000 0.786 451 A CB -0.574 18.454 19.000 0.047 0.000 0.804 451 A HN 1.074 nan 8.150 nan 0.000 0.479 452 V N -6.494 113.428 119.914 0.015 0.000 3.612 452 V HA 0.352 4.472 4.120 -0.000 0.000 0.268 452 V C 1.628 177.646 176.094 -0.127 0.000 1.365 452 V CA 0.379 62.634 62.300 -0.075 0.000 1.044 452 V CB -0.824 30.853 31.823 -0.244 0.000 0.820 452 V HN 0.279 nan 8.190 nan 0.000 0.444 453 F N 0.256 120.300 119.950 0.158 0.000 2.383 453 F HA 0.255 4.782 4.527 0.000 0.000 0.287 453 F C 2.321 178.227 175.800 0.175 0.000 1.069 453 F CA 1.333 59.434 58.000 0.169 0.000 1.402 453 F CB 0.183 39.262 39.000 0.132 0.000 1.116 453 F HN -0.061 nan 8.300 nan 0.000 0.549 454 V N 1.213 121.322 119.914 0.324 0.000 2.295 454 V HA -0.205 3.915 4.120 -0.000 0.000 0.246 454 V C -0.577 175.683 176.094 0.278 0.000 1.049 454 V CA 2.004 64.467 62.300 0.273 0.000 1.024 454 V CB -1.673 30.299 31.823 0.248 0.000 0.648 454 V HN 0.136 nan 8.190 nan 0.000 0.447 455 P HA -0.217 nan 4.420 nan 0.000 0.217 455 P C 1.866 179.139 177.300 -0.045 0.000 1.148 455 P CA 1.876 64.991 63.100 0.025 0.000 0.834 455 P CB -0.229 31.359 31.700 -0.188 0.000 0.783 456 M N -2.831 116.813 119.600 0.072 0.000 2.562 456 M HA 0.174 4.654 4.480 -0.000 0.000 0.257 456 M C 1.773 178.289 176.300 0.361 0.000 1.099 456 M CA 1.518 56.961 55.300 0.238 0.000 1.099 456 M CB -0.520 32.312 32.600 0.387 0.000 1.427 456 M HN -0.220 nan 8.290 nan 0.000 0.489 457 A N 0.406 123.365 122.820 0.232 0.000 2.067 457 A HA 0.029 4.349 4.320 -0.000 0.000 0.219 457 A C 1.388 178.925 177.584 -0.078 0.000 1.158 457 A CA 0.948 53.036 52.037 0.084 0.000 0.661 457 A CB -0.968 17.981 19.000 -0.084 0.000 0.801 457 A HN 0.642 nan 8.150 nan 0.000 0.452 458 F N -1.597 118.373 119.950 0.033 0.000 2.732 458 F HA 0.301 4.828 4.527 0.000 0.000 0.303 458 F C 0.283 176.050 175.800 -0.056 0.000 1.110 458 F CA -0.535 57.443 58.000 -0.035 0.000 1.355 458 F CB -0.220 38.709 39.000 -0.118 0.000 1.081 458 F HN 0.038 nan 8.300 nan 0.000 0.565 459 F N 0.466 120.512 119.950 0.160 0.000 2.553 459 F HA 0.308 4.835 4.527 0.000 0.000 0.356 459 F C 1.340 177.224 175.800 0.140 0.000 1.142 459 F CA -0.079 58.007 58.000 0.144 0.000 1.322 459 F CB 0.270 39.388 39.000 0.196 0.000 1.126 459 F HN -0.069 nan 8.300 nan 0.000 0.599 460 G N 0.978 109.984 108.800 0.343 0.000 2.488 460 G HA2 0.533 4.493 3.960 -0.000 0.000 0.318 460 G HA3 0.533 4.493 3.960 -0.000 0.000 0.318 460 G C 0.078 175.094 174.900 0.194 0.000 1.188 460 G CA -0.075 45.156 45.100 0.218 0.000 0.944 460 G HN 1.132 nan 8.290 nan 0.000 0.495 461 G N -0.247 108.637 108.800 0.141 0.000 2.553 461 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.242 461 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.242 461 G C 1.350 176.296 174.900 0.078 0.000 1.277 461 G CA 0.569 45.739 45.100 0.117 0.000 0.910 461 G HN 1.212 nan 8.290 nan 0.000 0.576 462 S N 0.030 115.753 115.700 0.038 0.000 2.368 462 S HA -0.098 4.372 4.470 -0.000 0.000 0.224 462 S C 2.804 177.360 174.600 -0.073 0.000 1.029 462 S CA 3.090 61.271 58.200 -0.032 0.000 0.988 462 S CB -0.657 62.493 63.200 -0.083 0.000 0.838 462 S HN 1.627 nan 8.310 nan 0.000 0.462 463 T N 0.026 114.539 114.554 -0.068 0.000 2.777 463 T HA -0.020 4.330 4.350 -0.000 0.000 0.266 463 T C 2.010 176.731 174.700 0.035 0.000 1.040 463 T CA 1.420 63.459 62.100 -0.103 0.000 1.141 463 T CB -1.036 67.832 68.868 -0.000 0.000 0.868 463 T HN 0.348 nan 8.240 nan 0.000 0.444 464 G N 1.363 110.278 108.800 0.193 0.000 2.442 464 G HA2 0.008 3.968 3.960 -0.000 0.000 0.219 464 G HA3 0.008 3.968 3.960 -0.000 0.000 0.219 464 G C 1.921 176.944 174.900 0.207 0.000 1.141 464 G CA 0.934 46.222 45.100 0.313 0.000 0.763 464 G HN 0.772 nan 8.290 nan 0.000 0.554 465 A N 0.774 123.652 122.820 0.097 0.000 1.902 465 A HA 0.024 4.344 4.320 -0.000 0.000 0.217 465 A C 2.404 180.024 177.584 0.060 0.000 1.181 465 A CA 1.333 53.401 52.037 0.051 0.000 0.623 465 A CB -0.334 18.667 19.000 0.001 0.000 0.818 465 A HN 0.390 nan 8.150 nan 0.000 0.443 466 I N -2.119 118.451 120.570 0.000 0.000 2.252 466 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 466 I C 2.405 178.617 176.117 0.158 0.000 1.102 466 I CA 1.482 62.773 61.300 -0.015 0.000 1.385 466 I CB -0.474 37.408 38.000 -0.197 0.000 1.064 466 I HN 0.429 nan 8.210 nan 0.000 0.414 467 Y N 0.447 120.911 120.300 0.274 0.000 2.242 467 Y HA -0.219 4.331 4.550 0.000 0.000 0.291 467 Y C 2.821 178.941 175.900 0.367 0.000 1.137 467 Y CA 0.948 59.263 58.100 0.358 0.000 1.181 467 Y CB -0.268 38.359 38.460 0.279 0.000 0.989 467 Y HN 0.042 nan 8.280 nan 0.000 0.527 468 R N 0.457 121.204 120.500 0.413 0.000 2.119 468 R HA -0.245 4.095 4.340 -0.000 0.000 0.246 468 R C 2.142 178.670 176.300 0.381 0.000 1.146 468 R CA 1.831 58.121 56.100 0.317 0.000 0.962 468 R CB -0.096 30.331 30.300 0.211 0.000 0.863 468 R HN 0.340 nan 8.270 nan 0.000 0.442 469 Q N -0.233 119.781 119.800 0.357 0.000 2.030 469 Q HA -0.195 4.145 4.340 -0.000 0.000 0.204 469 Q C 2.131 178.219 176.000 0.146 0.000 0.986 469 Q CA 1.864 57.857 55.803 0.316 0.000 0.843 469 Q CB -0.523 28.260 28.738 0.075 0.000 0.904 469 Q HN 0.377 nan 8.270 nan 0.000 0.420 470 F N 0.867 120.957 119.950 0.233 0.000 2.095 470 F HA -0.216 4.311 4.527 -0.000 0.000 0.298 470 F C 2.929 178.810 175.800 0.136 0.000 1.104 470 F CA 1.394 59.511 58.000 0.194 0.000 1.232 470 F CB -0.792 38.363 39.000 0.259 0.000 0.987 470 F HN 0.050 nan 8.300 nan 0.000 0.475 471 S N 0.397 116.337 115.700 0.401 0.000 2.353 471 S HA -0.206 4.264 4.470 -0.000 0.000 0.222 471 S C 2.033 176.706 174.600 0.121 0.000 1.035 471 S CA 1.673 60.046 58.200 0.288 0.000 1.025 471 S CB -0.511 62.877 63.200 0.312 0.000 0.902 471 S HN 0.162 nan 8.310 nan 0.000 0.440 472 I N 1.560 122.161 120.570 0.052 0.000 2.252 472 I HA -0.099 4.071 4.170 -0.000 0.000 0.245 472 I C 2.596 178.598 176.117 -0.191 0.000 1.102 472 I CA 1.504 62.739 61.300 -0.108 0.000 1.385 472 I CB -1.133 36.676 38.000 -0.318 0.000 1.064 472 I HN 0.302 nan 8.210 nan 0.000 0.414 473 T N 0.668 115.104 114.554 -0.196 0.000 2.684 473 T HA -0.170 4.180 4.350 -0.000 0.000 0.267 473 T C 2.021 176.619 174.700 -0.170 0.000 1.036 473 T CA 1.793 63.778 62.100 -0.191 0.000 1.148 473 T CB -0.358 68.434 68.868 -0.127 0.000 0.863 473 T HN 0.234 nan 8.240 nan 0.000 0.436 474 I N 0.465 120.946 120.570 -0.148 0.000 2.193 474 I HA -0.123 4.047 4.170 -0.000 0.000 0.240 474 I C 2.538 178.479 176.117 -0.294 0.000 1.084 474 I CA 0.764 61.884 61.300 -0.301 0.000 1.365 474 I CB -0.488 37.172 38.000 -0.567 0.000 1.064 474 I HN 0.061 nan 8.210 nan 0.000 0.410 475 V N 0.539 120.349 119.914 -0.173 0.000 2.282 475 V HA -0.329 3.791 4.120 -0.000 0.000 0.249 475 V C 2.570 178.624 176.094 -0.067 0.000 1.057 475 V CA 2.405 64.670 62.300 -0.058 0.000 1.032 475 V CB -0.616 31.239 31.823 0.055 0.000 0.645 475 V HN 0.400 nan 8.190 nan 0.000 0.447 476 S N -0.134 115.511 115.700 -0.091 0.000 2.356 476 S HA -0.152 4.318 4.470 -0.000 0.000 0.223 476 S C 2.203 176.722 174.600 -0.136 0.000 1.032 476 S CA 1.363 59.498 58.200 -0.108 0.000 1.005 476 S CB -0.530 62.575 63.200 -0.157 0.000 0.867 476 S HN 0.669 nan 8.310 nan 0.000 0.449 477 A N 2.347 125.065 122.820 -0.169 0.000 1.858 477 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 477 A C 2.140 179.639 177.584 -0.141 0.000 1.190 477 A CA 1.816 53.749 52.037 -0.173 0.000 0.617 477 A CB -0.720 18.162 19.000 -0.197 0.000 0.827 477 A HN 0.463 nan 8.150 nan 0.000 0.443 478 M N 0.162 119.676 119.600 -0.142 0.000 2.117 478 M HA -0.134 4.346 4.480 -0.000 0.000 0.262 478 M C 2.205 178.465 176.300 -0.067 0.000 1.065 478 M CA 2.196 57.435 55.300 -0.102 0.000 1.114 478 M CB -1.023 31.519 32.600 -0.097 0.000 1.361 478 M HN 0.404 nan 8.290 nan 0.000 0.408 479 A N 0.671 123.456 122.820 -0.059 0.000 1.877 479 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 479 A C 2.183 179.730 177.584 -0.063 0.000 1.186 479 A CA 1.528 53.540 52.037 -0.042 0.000 0.620 479 A CB -1.016 17.969 19.000 -0.025 0.000 0.822 479 A HN 0.569 nan 8.150 nan 0.000 0.443 480 L N 0.483 121.657 121.223 -0.083 0.000 2.083 480 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 480 L C 3.020 179.833 176.870 -0.096 0.000 1.083 480 L CA 1.639 56.423 54.840 -0.093 0.000 0.752 480 L CB -0.275 41.722 42.059 -0.104 0.000 0.899 480 L HN 0.627 nan 8.230 nan 0.000 0.433 481 S N -1.669 113.974 115.700 -0.094 0.000 2.406 481 S HA -0.142 4.328 4.470 -0.000 0.000 0.228 481 S C 1.943 176.493 174.600 -0.085 0.000 1.020 481 S CA 1.054 59.198 58.200 -0.093 0.000 0.965 481 S CB -0.574 62.570 63.200 -0.094 0.000 0.798 481 S HN 0.216 nan 8.310 nan 0.000 0.488 482 V N 1.228 121.100 119.914 -0.071 0.000 2.548 482 V HA 0.071 4.191 4.120 -0.000 0.000 0.249 482 V C 2.277 178.326 176.094 -0.075 0.000 1.055 482 V CA 1.355 63.618 62.300 -0.062 0.000 1.065 482 V CB -0.499 31.299 31.823 -0.042 0.000 0.681 482 V HN 0.558 nan 8.190 nan 0.000 0.462 483 L N -0.795 120.376 121.223 -0.086 0.000 2.056 483 L HA -0.111 4.229 4.340 -0.000 0.000 0.207 483 L C 2.423 179.203 176.870 -0.150 0.000 1.078 483 L CA 1.433 56.207 54.840 -0.109 0.000 0.749 483 L CB -0.421 41.575 42.059 -0.104 0.000 0.901 483 L HN 0.203 nan 8.230 nan 0.000 0.433 484 V N -0.271 119.555 119.914 -0.146 0.000 2.626 484 V HA -0.210 3.910 4.120 -0.000 0.000 0.252 484 V C 2.585 178.583 176.094 -0.161 0.000 1.067 484 V CA 1.486 63.682 62.300 -0.172 0.000 1.081 484 V CB -0.691 31.042 31.823 -0.149 0.000 0.686 484 V HN 0.467 nan 8.190 nan 0.000 0.468 485 A N -0.556 122.191 122.820 -0.122 0.000 2.015 485 A HA -0.030 4.290 4.320 -0.000 0.000 0.219 485 A C 2.104 179.633 177.584 -0.091 0.000 1.163 485 A CA 1.333 53.311 52.037 -0.098 0.000 0.646 485 A CB -0.281 18.675 19.000 -0.074 0.000 0.806 485 A HN 0.528 nan 8.150 nan 0.000 0.448 486 L N -1.532 119.629 121.223 -0.102 0.000 2.513 486 L HA 0.200 4.540 4.340 -0.000 0.000 0.222 486 L C 1.850 178.654 176.870 -0.110 0.000 1.096 486 L CA 0.265 55.060 54.840 -0.074 0.000 0.857 486 L CB 0.033 42.060 42.059 -0.052 0.000 1.026 486 L HN 0.352 nan 8.230 nan 0.000 0.469 487 I N -1.791 118.626 120.570 -0.255 0.000 3.393 487 I HA -0.068 4.102 4.170 -0.000 0.000 0.250 487 I C 1.839 177.713 176.117 -0.404 0.000 1.122 487 I CA 0.174 61.154 61.300 -0.533 0.000 1.484 487 I CB 0.056 37.538 38.000 -0.862 0.000 1.468 487 I HN -0.000 nan 8.210 nan 0.000 0.461 488 L N 0.772 121.782 121.223 -0.355 0.000 2.013 488 L HA -0.102 4.238 4.340 -0.000 0.000 0.204 488 L C 2.671 179.378 176.870 -0.271 0.000 1.081 488 L CA 2.623 57.252 54.840 -0.352 0.000 0.751 488 L CB -0.922 40.915 42.059 -0.370 0.000 0.901 488 L HN 0.430 nan 8.230 nan 0.000 0.440 489 T N -1.758 112.671 114.554 -0.208 0.000 2.721 489 T HA -0.123 4.227 4.350 -0.000 0.000 0.268 489 T C -0.617 174.020 174.700 -0.106 0.000 1.038 489 T CA 1.349 63.359 62.100 -0.150 0.000 1.145 489 T CB -2.247 66.552 68.868 -0.115 0.000 0.858 489 T HN 0.387 nan 8.240 nan 0.000 0.459 490 P HA 0.090 nan 4.420 nan 0.000 0.216 490 P C 1.751 179.031 177.300 -0.032 0.000 1.153 490 P CA 1.504 64.579 63.100 -0.042 0.000 0.844 490 P CB -0.309 31.382 31.700 -0.014 0.000 0.787 491 A N 0.161 122.952 122.820 -0.047 0.000 1.930 491 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 491 A C 2.446 180.001 177.584 -0.049 0.000 1.175 491 A CA 1.252 53.272 52.037 -0.029 0.000 0.627 491 A CB -1.585 17.397 19.000 -0.031 0.000 0.815 491 A HN 0.099 nan 8.150 nan 0.000 0.443 492 L N -0.982 120.171 121.223 -0.116 0.000 2.017 492 L HA -0.253 4.087 4.340 -0.000 0.000 0.208 492 L C 2.776 179.633 176.870 -0.021 0.000 1.073 492 L CA 1.412 56.205 54.840 -0.079 0.000 0.745 492 L CB -0.905 41.069 42.059 -0.141 0.000 0.894 492 L HN 0.470 nan 8.230 nan 0.000 0.432 493 C N -0.004 119.275 119.300 -0.035 0.000 2.413 493 C HA -0.203 4.257 4.460 -0.000 0.000 0.276 493 C C 3.125 178.114 174.990 -0.001 0.000 1.248 493 C CA 0.945 59.952 59.018 -0.018 0.000 1.742 493 C CB -0.986 26.739 27.740 -0.024 0.000 2.017 493 C HN 0.628 nan 8.230 nan 0.000 0.481 494 A N 0.066 122.888 122.820 0.003 0.000 2.067 494 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 494 A C 2.154 179.753 177.584 0.024 0.000 1.158 494 A CA 2.340 54.384 52.037 0.012 0.000 0.661 494 A CB -0.605 18.402 19.000 0.013 0.000 0.801 494 A HN 0.723 nan 8.150 nan 0.000 0.452 495 T N -3.495 111.082 114.554 0.038 0.000 3.038 495 T HA 0.176 4.526 4.350 -0.000 0.000 0.244 495 T C 1.522 176.260 174.700 0.063 0.000 1.016 495 T CA 0.715 62.850 62.100 0.059 0.000 1.098 495 T CB -0.229 68.695 68.868 0.095 0.000 0.954 495 T HN 0.516 nan 8.240 nan 0.000 0.469 496 M N -0.005 119.632 119.600 0.063 0.000 2.405 496 M HA 0.544 5.024 4.480 -0.000 0.000 0.292 496 M C -0.570 175.755 176.300 0.041 0.000 1.111 496 M CA -0.452 54.886 55.300 0.063 0.000 0.979 496 M CB 0.243 32.897 32.600 0.089 0.000 1.426 496 M HN 0.011 nan 8.290 nan 0.000 0.509 497 L N 2.282 123.522 121.223 0.028 0.000 2.282 497 L HA 0.500 4.840 4.340 -0.000 0.000 0.288 497 L C -0.305 176.576 176.870 0.018 0.000 1.033 497 L CA -0.016 54.834 54.840 0.017 0.000 0.807 497 L CB 1.485 43.547 42.059 0.005 0.000 1.209 497 L HN 0.182 nan 8.230 nan 0.000 0.423 498 K N 5.965 126.377 120.400 0.020 0.000 2.218 498 K HA 0.387 4.707 4.320 -0.000 0.000 0.276 498 K C -2.190 174.414 176.600 0.008 0.000 1.022 498 K CA -1.565 54.733 56.287 0.018 0.000 0.946 498 K CB 0.745 33.261 32.500 0.026 0.000 1.000 498 K HN 0.425 nan 8.250 nan 0.000 0.468 499 P HA 0.080 nan 4.420 nan 0.000 0.270 499 P C -0.719 176.576 177.300 -0.009 0.000 1.223 499 P CA 0.223 63.321 63.100 -0.003 0.000 0.785 499 P CB 0.584 32.283 31.700 -0.001 0.000 0.923 500 I N -0.056 120.503 120.570 -0.018 0.000 2.582 500 I HA 0.476 4.646 4.170 -0.000 0.000 0.292 500 I C 0.273 176.371 176.117 -0.031 0.000 1.066 500 I CA -1.393 59.890 61.300 -0.028 0.000 1.053 500 I CB 2.071 40.045 38.000 -0.043 0.000 1.241 500 I HN 0.280 nan 8.210 nan 0.000 0.421 501 A N 4.858 127.660 122.820 -0.029 0.000 2.445 501 A HA 0.211 4.531 4.320 -0.000 0.000 0.242 501 A C 0.241 177.802 177.584 -0.039 0.000 1.075 501 A CA -0.195 51.827 52.037 -0.026 0.000 0.777 501 A CB 0.283 19.273 19.000 -0.017 0.000 1.013 501 A HN 0.807 nan 8.150 nan 0.000 0.493 502 K N 1.131 121.514 120.400 -0.029 0.000 2.511 502 K HA 0.238 4.558 4.320 -0.000 0.000 0.280 502 K C 1.111 177.694 176.600 -0.029 0.000 1.008 502 K CA 1.189 57.458 56.287 -0.030 0.000 1.050 502 K CB -0.202 32.291 32.500 -0.013 0.000 0.889 502 K HN 1.713 nan 8.250 nan 0.000 0.484 503 G N 3.534 112.304 108.800 -0.049 0.000 2.198 503 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.260 503 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.260 503 G C 0.548 175.447 174.900 -0.002 0.000 1.025 503 G CA 0.442 45.540 45.100 -0.004 0.000 0.769 503 G HN 0.912 nan 8.290 nan 0.000 0.507 504 D N -0.013 120.322 120.400 -0.109 0.000 2.088 504 D HA -0.113 4.527 4.640 -0.000 0.000 0.196 504 D C 1.548 177.854 176.300 0.011 0.000 0.983 504 D CA 1.447 55.411 54.000 -0.060 0.000 0.846 504 D CB -0.149 40.603 40.800 -0.080 0.000 0.992 504 D HN 0.592 nan 8.370 nan 0.000 0.448 505 H N -1.639 117.426 119.070 -0.008 0.000 3.179 505 H HA -0.171 4.385 4.556 -0.000 0.000 0.250 505 H C 1.183 176.498 175.328 -0.022 0.000 1.142 505 H CA 1.133 57.175 56.048 -0.010 0.000 1.165 505 H CB -1.754 28.002 29.762 -0.009 0.000 1.253 505 H HN 0.500 nan 8.280 nan 0.000 0.325 506 G N 0.700 109.527 108.800 0.045 0.000 2.269 506 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.277 506 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.277 506 G C 0.177 175.078 174.900 0.001 0.000 1.008 506 G CA 1.116 46.223 45.100 0.012 0.000 0.774 506 G HN 0.666 nan 8.290 nan 0.000 0.511 507 E N -0.365 119.841 120.200 0.009 0.000 2.373 507 E HA 0.447 4.797 4.350 -0.000 0.000 0.267 507 E C 1.412 177.974 176.600 -0.064 0.000 1.032 507 E CA 0.499 56.877 56.400 -0.038 0.000 0.889 507 E CB 0.653 30.329 29.700 -0.040 0.000 0.984 507 E HN 1.050 nan 8.360 nan 0.000 0.425 508 G N 2.938 111.664 108.800 -0.123 0.000 2.595 508 G HA2 -0.480 3.480 3.960 -0.000 0.000 0.297 508 G HA3 -0.480 3.480 3.960 -0.000 0.000 0.297 508 G C 0.736 175.605 174.900 -0.052 0.000 1.181 508 G CA 0.532 45.553 45.100 -0.132 0.000 0.963 508 G HN 0.684 nan 8.290 nan 0.000 0.541 509 K N -1.444 118.948 120.400 -0.014 0.000 9.541 509 K HA -0.291 4.029 4.320 -0.000 0.000 0.451 509 K C 0.902 177.545 176.600 0.073 0.000 0.496 509 K CA 2.431 58.733 56.287 0.024 0.000 1.598 509 K CB -0.910 31.600 32.500 0.016 0.000 0.800 509 K HN 0.593 nan 8.250 nan 0.000 1.128 510 K N 0.323 120.778 120.400 0.091 0.000 2.118 510 K HA 0.255 4.575 4.320 -0.000 0.000 0.264 510 K C 0.978 177.731 176.600 0.255 0.000 1.000 510 K CA 0.638 57.016 56.287 0.151 0.000 0.929 510 K CB 1.465 34.040 32.500 0.125 0.000 1.021 510 K HN 0.600 nan 8.250 nan 0.000 0.463 511 G N 0.491 109.423 108.800 0.220 0.000 2.710 511 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.215 511 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.215 511 G C 0.890 175.598 174.900 -0.319 0.000 1.345 511 G CA -0.112 45.007 45.100 0.032 0.000 0.812 511 G HN 0.404 nan 8.290 nan 0.000 0.606 512 F N -0.186 119.709 119.950 -0.092 0.000 2.546 512 F HA 0.310 4.837 4.527 0.000 0.000 0.298 512 F C 1.139 176.815 175.800 -0.206 0.000 1.120 512 F CA 0.628 58.538 58.000 -0.150 0.000 1.456 512 F CB 0.090 39.079 39.000 -0.018 0.000 1.088 512 F HN 0.045 nan 8.300 nan 0.000 0.572 513 F N -0.330 119.647 119.950 0.045 0.000 2.815 513 F HA 0.501 5.028 4.527 -0.000 0.000 0.335 513 F C 0.478 176.199 175.800 -0.132 0.000 1.179 513 F CA -0.363 57.657 58.000 0.033 0.000 1.204 513 F CB 1.141 40.207 39.000 0.109 0.000 1.050 513 F HN -0.196 nan 8.300 nan 0.000 0.510 514 G N -0.590 108.037 108.800 -0.288 0.000 2.482 514 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.201 514 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.201 514 G C -0.823 173.770 174.900 -0.513 0.000 3.137 514 G CA -0.857 43.804 45.100 -0.732 0.000 0.798 514 G HN 0.147 nan 8.290 nan 0.000 0.493 515 W N 2.382 123.009 121.300 -1.121 0.000 3.239 515 W HA 0.409 5.069 4.660 0.000 0.000 0.368 515 W C 1.271 177.655 176.519 -0.226 0.000 1.154 515 W CA -0.727 56.337 57.345 -0.468 0.000 1.860 515 W CB -0.392 28.924 29.460 -0.239 0.000 1.094 515 W HN 0.566 nan 8.180 nan 0.000 0.643 516 F N -1.088 118.959 119.950 0.161 0.000 2.754 516 F HA 0.067 4.593 4.527 -0.000 0.000 0.297 516 F C 1.521 177.384 175.800 0.104 0.000 1.122 516 F CA 0.027 58.090 58.000 0.104 0.000 1.400 516 F CB -0.600 38.463 39.000 0.104 0.000 1.117 516 F HN -0.228 nan 8.300 nan 0.000 0.587 517 N N 1.078 119.851 118.700 0.122 0.000 2.244 517 N HA -0.091 4.649 4.740 -0.000 0.000 0.183 517 N C 1.668 177.210 175.510 0.055 0.000 1.016 517 N CA 0.890 53.987 53.050 0.078 0.000 0.866 517 N CB -0.205 38.286 38.487 0.006 0.000 0.980 517 N HN 0.205 nan 8.380 nan 0.000 0.430 518 R N 0.379 120.875 120.500 -0.008 0.000 2.070 518 R HA 0.010 4.350 4.340 -0.000 0.000 0.233 518 R C 2.083 178.368 176.300 -0.024 0.000 1.137 518 R CA 1.456 57.522 56.100 -0.057 0.000 0.945 518 R CB -0.302 29.916 30.300 -0.136 0.000 0.845 518 R HN 0.289 nan 8.270 nan 0.000 0.430 519 M N -0.643 118.962 119.600 0.008 0.000 2.213 519 M HA -0.148 4.332 4.480 -0.000 0.000 0.263 519 M C 1.825 178.059 176.300 -0.111 0.000 1.062 519 M CA 1.643 56.913 55.300 -0.051 0.000 1.105 519 M CB -0.263 32.313 32.600 -0.040 0.000 1.385 519 M HN 0.100 nan 8.290 nan 0.000 0.417 520 F N 0.532 120.445 119.950 -0.061 0.000 2.234 520 F HA -0.128 4.399 4.527 -0.000 0.000 0.296 520 F C 2.488 178.249 175.800 -0.065 0.000 1.089 520 F CA 1.087 59.036 58.000 -0.084 0.000 1.343 520 F CB 0.061 38.990 39.000 -0.119 0.000 1.040 520 F HN 0.071 nan 8.300 nan 0.000 0.498 521 E N 0.437 120.708 120.200 0.118 0.000 2.274 521 E HA -0.130 4.220 4.350 -0.000 0.000 0.194 521 E C 1.870 178.453 176.600 -0.029 0.000 0.996 521 E CA 1.072 57.480 56.400 0.013 0.000 0.840 521 E CB -0.022 29.623 29.700 -0.091 0.000 0.772 521 E HN 0.226 nan 8.360 nan 0.000 0.491 522 K N -0.479 119.909 120.400 -0.019 0.000 2.076 522 K HA -0.045 4.275 4.320 -0.000 0.000 0.204 522 K C 2.214 178.900 176.600 0.144 0.000 1.051 522 K CA 1.265 57.578 56.287 0.044 0.000 0.949 522 K CB -0.011 32.484 32.500 -0.008 0.000 0.726 522 K HN 0.153 nan 8.250 nan 0.000 0.443 523 S N 0.396 116.079 115.700 -0.029 0.000 2.383 523 S HA -0.155 4.315 4.470 -0.000 0.000 0.227 523 S C 2.140 176.709 174.600 -0.052 0.000 1.026 523 S CA 1.787 59.923 58.200 -0.107 0.000 0.981 523 S CB -0.681 62.329 63.200 -0.316 0.000 0.818 523 S HN 0.253 nan 8.310 nan 0.000 0.472 524 T N 0.431 114.997 114.554 0.019 0.000 2.962 524 T HA -0.087 4.263 4.350 -0.000 0.000 0.270 524 T C 1.595 176.409 174.700 0.190 0.000 1.088 524 T CA 1.276 63.419 62.100 0.071 0.000 1.127 524 T CB -0.433 68.504 68.868 0.115 0.000 0.883 524 T HN 0.577 nan 8.240 nan 0.000 0.493 525 H N -0.548 118.571 119.070 0.082 0.000 2.415 525 H HA 0.179 4.735 4.556 -0.000 0.000 0.297 525 H C 2.088 177.483 175.328 0.111 0.000 1.048 525 H CA 1.362 57.456 56.048 0.076 0.000 1.365 525 H CB -0.238 29.553 29.762 0.048 0.000 1.421 525 H HN 0.475 nan 8.280 nan 0.000 0.533 526 H N -1.182 118.006 119.070 0.197 0.000 2.353 526 H HA -0.135 4.421 4.556 0.000 0.000 0.300 526 H C 1.419 176.911 175.328 0.274 0.000 1.090 526 H CA 1.725 57.896 56.048 0.205 0.000 1.327 526 H CB -0.128 29.764 29.762 0.216 0.000 1.383 526 H HN 0.326 nan 8.280 nan 0.000 0.508 527 Y N -0.486 119.898 120.300 0.140 0.000 2.242 527 Y HA -0.157 4.393 4.550 -0.000 0.000 0.291 527 Y C 2.809 178.683 175.900 -0.043 0.000 1.137 527 Y CA 1.343 59.462 58.100 0.032 0.000 1.181 527 Y CB -0.829 37.606 38.460 -0.041 0.000 0.989 527 Y HN 0.159 nan 8.280 nan 0.000 0.527 528 T N -0.476 114.141 114.554 0.105 0.000 2.881 528 T HA -0.135 4.215 4.350 -0.000 0.000 0.270 528 T C 1.201 175.870 174.700 -0.052 0.000 1.068 528 T CA 1.718 63.799 62.100 -0.032 0.000 1.131 528 T CB -0.203 68.585 68.868 -0.133 0.000 0.871 528 T HN 0.275 nan 8.240 nan 0.000 0.479 529 D N 0.316 120.701 120.400 -0.025 0.000 2.149 529 D HA -0.009 4.631 4.640 -0.000 0.000 0.206 529 D C 2.481 178.774 176.300 -0.011 0.000 0.967 529 D CA 1.341 55.318 54.000 -0.038 0.000 0.848 529 D CB -0.350 40.411 40.800 -0.064 0.000 0.998 529 D HN 0.463 nan 8.370 nan 0.000 0.474 530 S N 0.171 115.889 115.700 0.030 0.000 2.359 530 S HA -0.156 4.314 4.470 -0.000 0.000 0.224 530 S C 2.187 176.804 174.600 0.028 0.000 1.035 530 S CA 1.168 59.396 58.200 0.046 0.000 1.018 530 S CB -0.851 62.406 63.200 0.096 0.000 0.876 530 S HN 0.083 nan 8.310 nan 0.000 0.448 531 V N 2.509 122.420 119.914 -0.007 0.000 2.261 531 V HA -0.059 4.061 4.120 -0.000 0.000 0.246 531 V C 2.983 179.031 176.094 -0.077 0.000 1.047 531 V CA 1.991 64.252 62.300 -0.064 0.000 1.015 531 V CB -1.715 30.019 31.823 -0.149 0.000 0.642 531 V HN 0.674 nan 8.190 nan 0.000 0.446 532 G N -0.367 108.396 108.800 -0.061 0.000 2.448 532 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.219 532 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.219 532 G C 1.565 176.443 174.900 -0.038 0.000 1.127 532 G CA 0.901 45.970 45.100 -0.052 0.000 0.766 532 G HN 0.601 nan 8.290 nan 0.000 0.552 533 G N 1.360 110.143 108.800 -0.029 0.000 2.402 533 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.216 533 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.216 533 G C 1.442 176.340 174.900 -0.004 0.000 1.162 533 G CA 1.012 46.104 45.100 -0.013 0.000 0.777 533 G HN 0.701 nan 8.290 nan 0.000 0.539 534 I N -1.616 118.941 120.570 -0.021 0.000 3.864 534 I HA 0.443 4.613 4.170 -0.000 0.000 0.326 534 I C 1.130 177.195 176.117 -0.087 0.000 1.444 534 I CA 0.093 61.390 61.300 -0.005 0.000 1.195 534 I CB 0.341 38.356 38.000 0.025 0.000 1.124 534 I HN -0.053 nan 8.210 nan 0.000 0.407 535 L N -0.132 121.053 121.223 -0.062 0.000 2.616 535 L HA 0.316 4.656 4.340 -0.000 0.000 0.229 535 L C 2.279 179.145 176.870 -0.006 0.000 1.110 535 L CA 0.175 54.983 54.840 -0.054 0.000 0.884 535 L CB -0.166 41.861 42.059 -0.053 0.000 1.115 535 L HN 0.252 nan 8.230 nan 0.000 0.481 536 R N 0.001 120.506 120.500 0.009 0.000 2.075 536 R HA 0.002 4.342 4.340 -0.000 0.000 0.226 536 R C 0.979 177.300 176.300 0.035 0.000 1.114 536 R CA 1.191 57.303 56.100 0.019 0.000 0.972 536 R CB -0.251 30.059 30.300 0.016 0.000 0.869 536 R HN 0.253 nan 8.270 nan 0.000 0.437 537 S N 0.504 116.240 115.700 0.060 0.000 2.468 537 S HA 0.209 4.679 4.470 -0.000 0.000 0.190 537 S C 0.457 175.139 174.600 0.137 0.000 1.445 537 S CA -0.827 57.421 58.200 0.079 0.000 1.084 537 S CB 1.220 64.460 63.200 0.066 0.000 1.175 537 S HN 0.051 nan 8.310 nan 0.000 0.484 538 T N 0.811 115.424 114.554 0.098 0.000 2.937 538 T HA 0.110 4.460 4.350 -0.000 0.000 0.260 538 T C 1.643 176.423 174.700 0.134 0.000 1.051 538 T CA 0.785 62.949 62.100 0.106 0.000 1.141 538 T CB -0.425 68.474 68.868 0.051 0.000 0.879 538 T HN 0.681 nan 8.240 nan 0.000 0.459 539 G N 0.994 109.852 108.800 0.097 0.000 3.340 539 G HA2 0.156 4.116 3.960 -0.000 0.000 0.240 539 G HA3 0.156 4.116 3.960 -0.000 0.000 0.240 539 G C 1.022 175.970 174.900 0.080 0.000 1.327 539 G CA -0.374 44.779 45.100 0.088 0.000 1.170 539 G HN 0.397 nan 8.290 nan 0.000 0.520 540 R N -1.901 118.655 120.500 0.093 0.000 2.555 540 R HA 0.179 4.519 4.340 -0.000 0.000 0.312 540 R C 0.739 177.027 176.300 -0.020 0.000 0.938 540 R CA -0.238 55.873 56.100 0.020 0.000 1.112 540 R CB 0.344 30.619 30.300 -0.042 0.000 1.535 540 R HN 0.389 nan 8.270 nan 0.000 0.525 541 Y N 0.760 121.094 120.300 0.056 0.000 2.476 541 Y HA 0.093 4.643 4.550 -0.000 0.000 0.283 541 Y C 1.879 177.967 175.900 0.312 0.000 1.109 541 Y CA 0.705 58.865 58.100 0.100 0.000 1.246 541 Y CB 0.284 38.700 38.460 -0.074 0.000 1.068 541 Y HN -0.092 nan 8.280 nan 0.000 0.552 542 L N -1.159 120.302 121.223 0.397 0.000 2.349 542 L HA -0.190 4.150 4.340 -0.000 0.000 0.220 542 L C 1.897 178.972 176.870 0.342 0.000 1.130 542 L CA 0.518 55.586 54.840 0.381 0.000 0.791 542 L CB -0.853 41.350 42.059 0.241 0.000 0.918 542 L HN 0.096 nan 8.230 nan 0.000 0.444 543 V N -0.183 119.872 119.914 0.235 0.000 2.323 543 V HA -0.234 3.886 4.120 -0.000 0.000 0.244 543 V C 2.342 178.532 176.094 0.159 0.000 1.041 543 V CA 1.437 63.827 62.300 0.149 0.000 1.025 543 V CB -0.419 31.445 31.823 0.069 0.000 0.656 543 V HN 0.319 nan 8.190 nan 0.000 0.451 544 L N -0.245 121.099 121.223 0.202 0.000 2.079 544 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 544 L C 2.315 179.326 176.870 0.234 0.000 1.081 544 L CA 2.093 57.066 54.840 0.220 0.000 0.752 544 L CB -0.943 41.294 42.059 0.297 0.000 0.896 544 L HN 0.457 nan 8.230 nan 0.000 0.433 545 Y N -0.479 119.930 120.300 0.182 0.000 2.128 545 Y HA -0.289 4.261 4.550 -0.000 0.000 0.284 545 Y C 2.294 178.192 175.900 -0.004 0.000 1.154 545 Y CA 2.123 60.197 58.100 -0.042 0.000 1.149 545 Y CB -0.178 38.304 38.460 0.036 0.000 0.976 545 Y HN 0.198 nan 8.280 nan 0.000 0.505 546 L N -0.324 120.940 121.223 0.069 0.000 2.046 546 L HA -0.259 4.081 4.340 -0.000 0.000 0.208 546 L C 2.349 179.173 176.870 -0.077 0.000 1.077 546 L CA 1.495 56.317 54.840 -0.030 0.000 0.747 546 L CB -0.507 41.587 42.059 0.059 0.000 0.896 546 L HN 0.330 nan 8.230 nan 0.000 0.432 547 I N -0.287 120.265 120.570 -0.029 0.000 2.286 547 I HA -0.330 3.840 4.170 -0.000 0.000 0.248 547 I C 2.340 178.421 176.117 -0.061 0.000 1.115 547 I CA 1.485 62.768 61.300 -0.029 0.000 1.392 547 I CB -0.203 37.799 38.000 0.004 0.000 1.065 547 I HN 0.181 nan 8.210 nan 0.000 0.418 548 I N -0.254 120.249 120.570 -0.111 0.000 2.252 548 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 548 I C 2.436 178.439 176.117 -0.190 0.000 1.102 548 I CA 1.053 62.265 61.300 -0.148 0.000 1.385 548 I CB -0.292 37.582 38.000 -0.210 0.000 1.064 548 I HN 0.005 nan 8.210 nan 0.000 0.414 549 V N 0.073 119.808 119.914 -0.298 0.000 2.358 549 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 549 V C 2.405 178.432 176.094 -0.111 0.000 1.047 549 V CA 1.393 63.541 62.300 -0.253 0.000 1.035 549 V CB -0.317 31.308 31.823 -0.331 0.000 0.658 549 V HN 0.221 nan 8.190 nan 0.000 0.452 550 V N 0.982 120.849 119.914 -0.079 0.000 2.295 550 V HA -0.180 3.940 4.120 -0.000 0.000 0.246 550 V C 2.659 178.776 176.094 0.037 0.000 1.049 550 V CA 2.247 64.536 62.300 -0.019 0.000 1.024 550 V CB -1.368 30.440 31.823 -0.024 0.000 0.648 550 V HN 0.610 nan 8.190 nan 0.000 0.447 551 G N -0.921 107.894 108.800 0.024 0.000 2.442 551 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.219 551 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.219 551 G C 1.636 176.599 174.900 0.106 0.000 1.141 551 G CA 1.230 46.377 45.100 0.079 0.000 0.763 551 G HN 0.454 nan 8.290 nan 0.000 0.554 552 M N 0.818 120.450 119.600 0.053 0.000 2.099 552 M HA 0.078 4.558 4.480 -0.000 0.000 0.262 552 M C 2.804 179.183 176.300 0.131 0.000 1.067 552 M CA 1.766 57.115 55.300 0.082 0.000 1.124 552 M CB -0.176 32.443 32.600 0.030 0.000 1.353 552 M HN 0.260 nan 8.290 nan 0.000 0.410 553 A N -0.459 122.407 122.820 0.078 0.000 1.940 553 A HA -0.255 4.065 4.320 -0.000 0.000 0.219 553 A C 1.955 179.631 177.584 0.154 0.000 1.176 553 A CA 1.780 53.862 52.037 0.075 0.000 0.631 553 A CB -1.276 17.739 19.000 0.025 0.000 0.814 553 A HN 0.782 nan 8.150 nan 0.000 0.446 554 Y N -0.083 120.245 120.300 0.047 0.000 2.286 554 Y HA 0.048 4.598 4.550 -0.000 0.000 0.293 554 Y C 1.825 177.767 175.900 0.070 0.000 1.124 554 Y CA 1.359 59.489 58.100 0.049 0.000 1.178 554 Y CB -0.198 38.278 38.460 0.027 0.000 1.010 554 Y HN 0.188 nan 8.280 nan 0.000 0.536 555 L N -1.329 119.879 121.223 -0.025 0.000 2.291 555 L HA -0.139 4.201 4.340 -0.000 0.000 0.214 555 L C 2.057 178.883 176.870 -0.073 0.000 1.120 555 L CA 0.819 55.592 54.840 -0.111 0.000 0.799 555 L CB -0.499 41.560 42.059 -0.000 0.000 0.925 555 L HN 0.209 nan 8.230 nan 0.000 0.446 556 F N -0.369 119.528 119.950 -0.088 0.000 2.186 556 F HA -0.196 4.331 4.527 0.000 0.000 0.299 556 F C 2.197 177.943 175.800 -0.090 0.000 1.090 556 F CA 1.251 59.218 58.000 -0.055 0.000 1.307 556 F CB 0.120 39.108 39.000 -0.020 0.000 1.019 556 F HN -0.233 nan 8.300 nan 0.000 0.489 557 V N -0.213 119.759 119.914 0.096 0.000 2.379 557 V HA -0.182 3.938 4.120 -0.000 0.000 0.245 557 V C 2.069 178.100 176.094 -0.104 0.000 1.044 557 V CA 1.458 63.765 62.300 0.012 0.000 1.036 557 V CB -0.514 31.307 31.823 -0.004 0.000 0.664 557 V HN 0.148 nan 8.190 nan 0.000 0.453 558 R N -0.103 120.261 120.500 -0.227 0.000 2.320 558 R HA 0.269 4.609 4.340 -0.000 0.000 0.211 558 R C 0.296 176.480 176.300 -0.193 0.000 0.931 558 R CA 0.055 56.014 56.100 -0.235 0.000 1.071 558 R CB -0.286 29.791 30.300 -0.371 0.000 1.025 558 R HN 0.372 nan 8.270 nan 0.000 0.495 559 L N 3.943 125.042 121.223 -0.208 0.000 2.259 559 L HA 0.305 4.645 4.340 -0.000 0.000 0.288 559 L C -2.046 174.690 176.870 -0.223 0.000 1.051 559 L CA -1.749 52.947 54.840 -0.240 0.000 0.824 559 L CB 1.484 43.337 42.059 -0.342 0.000 1.206 559 L HN -0.169 nan 8.230 nan 0.000 0.429 560 P HA 0.072 nan 4.420 nan 0.000 0.269 560 P C -0.526 176.661 177.300 -0.188 0.000 1.209 560 P CA -0.150 62.857 63.100 -0.156 0.000 0.776 560 P CB 0.932 32.557 31.700 -0.124 0.000 0.876 561 S N 0.778 116.372 115.700 -0.177 0.000 2.632 561 S HA 0.498 4.968 4.470 -0.000 0.000 0.267 561 S C 0.353 174.807 174.600 -0.244 0.000 1.276 561 S CA -0.238 57.834 58.200 -0.213 0.000 0.998 561 S CB 0.936 64.009 63.200 -0.212 0.000 0.953 561 S HN 0.680 nan 8.310 nan 0.000 0.547 562 S N -0.996 114.528 115.700 -0.293 0.000 2.843 562 S HA 0.707 5.177 4.470 -0.000 0.000 0.301 562 S C -0.795 173.553 174.600 -0.421 0.000 1.206 562 S CA -0.549 57.475 58.200 -0.292 0.000 0.875 562 S CB 0.179 63.305 63.200 -0.123 0.000 1.248 562 S HN 0.586 nan 8.310 nan 0.000 0.555 563 F N -0.224 119.709 119.950 -0.028 0.000 2.362 563 F HA 0.582 5.109 4.527 -0.000 0.000 0.264 563 F C -0.546 175.220 175.800 -0.056 0.000 0.905 563 F CA -0.358 57.608 58.000 -0.056 0.000 1.142 563 F CB 0.455 39.415 39.000 -0.067 0.000 1.250 563 F HN 0.234 nan 8.300 nan 0.000 0.771 564 L N 0.544 121.890 121.223 0.205 0.000 2.464 564 L HA 0.470 4.810 4.340 -0.000 0.000 0.266 564 L C -2.724 174.259 176.870 0.187 0.000 0.965 564 L CA -1.717 53.236 54.840 0.189 0.000 0.833 564 L CB 1.458 43.613 42.059 0.159 0.000 1.296 564 L HN -0.184 nan 8.230 nan 0.000 0.405 565 P HA 0.139 nan 4.420 nan 0.000 0.271 565 P C -0.956 176.429 177.300 0.141 0.000 1.216 565 P CA -0.396 62.787 63.100 0.140 0.000 0.776 565 P CB 0.431 32.201 31.700 0.116 0.000 0.881 566 D N 2.178 122.641 120.400 0.106 0.000 2.423 566 D HA 0.078 4.718 4.640 -0.000 0.000 0.238 566 D C 0.365 176.731 176.300 0.110 0.000 1.142 566 D CA 0.607 54.670 54.000 0.105 0.000 0.884 566 D CB 0.490 41.342 40.800 0.087 0.000 1.199 566 D HN 0.303 nan 8.370 nan 0.000 0.438 567 E N 0.653 120.921 120.200 0.113 0.000 2.299 567 E HA 0.148 4.498 4.350 -0.000 0.000 0.265 567 E C -0.623 176.036 176.600 0.099 0.000 0.911 567 E CA -0.713 55.761 56.400 0.124 0.000 0.789 567 E CB 1.520 31.332 29.700 0.188 0.000 1.246 567 E HN 0.297 nan 8.360 nan 0.000 0.427 568 D N 1.679 122.149 120.400 0.117 0.000 2.402 568 D HA -0.022 4.618 4.640 -0.000 0.000 0.235 568 D C 0.055 176.457 176.300 0.170 0.000 1.226 568 D CA 0.215 54.308 54.000 0.155 0.000 0.918 568 D CB 0.406 41.312 40.800 0.177 0.000 1.043 568 D HN 0.338 nan 8.370 nan 0.000 0.506 569 Q N 2.003 121.885 119.800 0.135 0.000 2.247 569 Q HA 0.187 4.527 4.340 -0.000 0.000 0.205 569 Q C 1.227 177.481 176.000 0.424 0.000 0.896 569 Q CA 0.284 56.137 55.803 0.082 0.000 0.950 569 Q CB -0.002 28.657 28.738 -0.131 0.000 1.054 569 Q HN 0.781 nan 8.270 nan 0.000 0.482 570 G N -0.211 108.916 108.800 0.545 0.000 2.166 570 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.260 570 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.260 570 G C -0.152 174.881 174.900 0.221 0.000 0.986 570 G CA 0.520 45.887 45.100 0.445 0.000 0.683 570 G HN 0.319 nan 8.290 nan 0.000 0.527 571 V N 0.248 120.288 119.914 0.210 0.000 2.851 571 V HA 0.806 4.926 4.120 -0.000 0.000 0.307 571 V C -0.444 175.710 176.094 0.099 0.000 1.129 571 V CA -0.281 62.028 62.300 0.015 0.000 0.932 571 V CB 1.991 33.916 31.823 0.170 0.000 1.024 571 V HN 1.089 nan 8.190 nan 0.000 0.426 572 F N 3.451 123.246 119.950 -0.258 0.000 2.745 572 F HA 0.895 5.422 4.527 -0.000 0.000 0.316 572 F C -0.985 174.656 175.800 -0.264 0.000 1.155 572 F CA -1.285 56.624 58.000 -0.152 0.000 0.937 572 F CB 2.128 41.082 39.000 -0.077 0.000 1.361 572 F HN 0.557 nan 8.300 nan 0.000 0.472 573 M N 2.343 121.906 119.600 -0.061 0.000 2.324 573 M HA 0.518 4.998 4.480 -0.000 0.000 0.288 573 M C -1.612 174.470 176.300 -0.363 0.000 1.097 573 M CA -0.348 54.819 55.300 -0.222 0.000 0.928 573 M CB 2.251 34.907 32.600 0.093 0.000 1.648 573 M HN 0.963 nan 8.290 nan 0.000 0.460 574 T N 4.335 118.821 114.554 -0.113 0.000 2.909 574 T HA 0.728 5.078 4.350 -0.000 0.000 0.286 574 T C -0.455 174.251 174.700 0.010 0.000 1.002 574 T CA -0.640 61.463 62.100 0.005 0.000 1.074 574 T CB 0.716 69.757 68.868 0.288 0.000 0.984 574 T HN 0.833 nan 8.240 nan 0.000 0.495 575 M N 3.550 123.218 119.600 0.113 0.000 2.464 575 M HA 0.772 5.252 4.480 -0.000 0.000 0.308 575 M C -1.801 174.581 176.300 0.137 0.000 1.127 575 M CA -0.780 54.614 55.300 0.157 0.000 0.913 575 M CB 1.986 34.759 32.600 0.288 0.000 1.689 575 M HN 0.243 nan 8.290 nan 0.000 0.445 576 V N 2.787 122.734 119.914 0.055 0.000 2.459 576 V HA 0.646 4.765 4.120 -0.000 0.000 0.295 576 V C -0.907 175.199 176.094 0.021 0.000 1.029 576 V CA -0.212 62.093 62.300 0.008 0.000 0.874 576 V CB 1.604 33.397 31.823 -0.049 0.000 0.985 576 V HN 0.933 nan 8.190 nan 0.000 0.438 577 Q N 4.501 124.323 119.800 0.037 0.000 2.414 577 Q HA 0.451 4.791 4.340 -0.000 0.000 0.256 577 Q C -1.419 174.597 176.000 0.027 0.000 0.974 577 Q CA -0.250 55.576 55.803 0.039 0.000 0.723 577 Q CB 1.131 29.915 28.738 0.078 0.000 1.281 577 Q HN 0.568 nan 8.270 nan 0.000 0.470 578 L N 4.283 125.512 121.223 0.009 0.000 2.439 578 L HA 0.560 4.900 4.340 -0.000 0.000 0.261 578 L C -1.845 175.034 176.870 0.016 0.000 1.153 578 L CA -1.705 53.139 54.840 0.006 0.000 0.808 578 L CB 0.333 42.389 42.059 -0.004 0.000 1.126 578 L HN 0.569 nan 8.230 nan 0.000 0.460 579 P HA 0.039 nan 4.420 nan 0.000 0.269 579 P C -0.722 176.593 177.300 0.025 0.000 1.217 579 P CA -0.355 62.759 63.100 0.023 0.000 0.783 579 P CB 0.417 32.128 31.700 0.018 0.000 0.898 580 A N 1.898 124.740 122.820 0.036 0.000 2.567 580 A HA 0.380 4.700 4.320 -0.000 0.000 0.240 580 A C 1.454 179.057 177.584 0.031 0.000 1.053 580 A CA 0.923 52.985 52.037 0.041 0.000 0.755 580 A CB -1.586 17.451 19.000 0.062 0.000 0.978 580 A HN 0.893 nan 8.150 nan 0.000 0.507 581 G N 0.637 109.456 108.800 0.032 0.000 2.159 581 G HA2 0.197 4.157 3.960 -0.000 0.000 0.227 581 G HA3 0.197 4.157 3.960 -0.000 0.000 0.227 581 G C 0.508 175.420 174.900 0.019 0.000 0.986 581 G CA 0.301 45.417 45.100 0.027 0.000 0.651 581 G HN 2.195 nan 8.290 nan 0.000 0.523 582 A N 0.362 123.191 122.820 0.015 0.000 2.425 582 A HA 0.668 4.988 4.320 -0.000 0.000 0.249 582 A C 0.831 178.420 177.584 0.007 0.000 1.084 582 A CA 1.171 53.212 52.037 0.006 0.000 0.781 582 A CB 0.337 19.339 19.000 0.003 0.000 1.019 582 A HN 0.744 nan 8.150 nan 0.000 0.490 583 T N 1.671 116.225 114.554 0.000 0.000 2.910 583 T HA 0.189 4.539 4.350 -0.000 0.000 0.293 583 T C 1.466 176.163 174.700 -0.005 0.000 1.015 583 T CA 0.125 62.224 62.100 -0.002 0.000 1.094 583 T CB 1.318 70.180 68.868 -0.010 0.000 0.968 583 T HN 0.813 nan 8.240 nan 0.000 0.521 584 Q N 1.631 121.429 119.800 -0.003 0.000 2.062 584 Q HA -0.253 4.087 4.340 -0.000 0.000 0.209 584 Q C 2.086 178.078 176.000 -0.014 0.000 0.996 584 Q CA 2.271 58.072 55.803 -0.004 0.000 0.859 584 Q CB -0.081 28.657 28.738 0.001 0.000 0.920 584 Q HN 0.827 nan 8.270 nan 0.000 0.415 585 E N -0.616 119.572 120.200 -0.021 0.000 2.150 585 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 585 E C 1.986 178.571 176.600 -0.025 0.000 0.985 585 E CA 0.650 57.035 56.400 -0.026 0.000 0.814 585 E CB 0.117 29.797 29.700 -0.033 0.000 0.752 585 E HN 0.328 nan 8.360 nan 0.000 0.466 586 R N -0.429 120.057 120.500 -0.023 0.000 2.115 586 R HA -0.033 4.307 4.340 -0.000 0.000 0.226 586 R C 2.101 178.386 176.300 -0.025 0.000 1.100 586 R CA 1.536 57.622 56.100 -0.023 0.000 0.980 586 R CB -0.144 30.145 30.300 -0.019 0.000 0.875 586 R HN 0.189 nan 8.270 nan 0.000 0.445 587 T N 0.551 115.091 114.554 -0.023 0.000 2.978 587 T HA -0.087 4.263 4.350 -0.000 0.000 0.262 587 T C 1.686 176.367 174.700 -0.031 0.000 1.063 587 T CA 0.667 62.751 62.100 -0.027 0.000 1.140 587 T CB -0.009 68.846 68.868 -0.021 0.000 0.886 587 T HN 0.055 nan 8.240 nan 0.000 0.470 588 Q N 1.828 121.612 119.800 -0.026 0.000 2.124 588 Q HA -0.045 4.295 4.340 -0.000 0.000 0.202 588 Q C 2.291 178.274 176.000 -0.029 0.000 0.977 588 Q CA 1.447 57.234 55.803 -0.026 0.000 0.850 588 Q CB -0.272 28.452 28.738 -0.023 0.000 0.901 588 Q HN 0.212 nan 8.270 nan 0.000 0.429 589 K N -0.387 119.994 120.400 -0.030 0.000 2.032 589 K HA -0.094 4.226 4.320 -0.000 0.000 0.209 589 K C 1.865 178.442 176.600 -0.038 0.000 1.048 589 K CA 1.539 57.806 56.287 -0.032 0.000 0.927 589 K CB -0.381 32.100 32.500 -0.032 0.000 0.712 589 K HN 0.219 nan 8.250 nan 0.000 0.441 590 V N 1.654 121.538 119.914 -0.049 0.000 2.515 590 V HA -0.218 3.902 4.120 -0.000 0.000 0.250 590 V C 2.448 178.482 176.094 -0.099 0.000 1.058 590 V CA 1.275 63.529 62.300 -0.077 0.000 1.064 590 V CB -0.293 31.480 31.823 -0.083 0.000 0.675 590 V HN 0.227 nan 8.190 nan 0.000 0.461 591 L N -0.095 121.087 121.223 -0.068 0.000 2.072 591 L HA -0.110 4.230 4.340 -0.000 0.000 0.205 591 L C 2.388 179.248 176.870 -0.017 0.000 1.079 591 L CA 1.256 56.064 54.840 -0.053 0.000 0.752 591 L CB -0.681 41.356 42.059 -0.036 0.000 0.906 591 L HN 0.321 nan 8.230 nan 0.000 0.436 592 N N 0.113 118.808 118.700 -0.008 0.000 2.137 592 N HA -0.205 4.535 4.740 -0.000 0.000 0.190 592 N C 1.701 177.250 175.510 0.065 0.000 1.017 592 N CA 1.210 54.274 53.050 0.023 0.000 0.859 592 N CB -0.124 38.366 38.487 0.006 0.000 1.002 592 N HN 0.417 nan 8.380 nan 0.000 0.428 593 E N -0.080 120.140 120.200 0.033 0.000 2.072 593 E HA -0.075 4.275 4.350 -0.000 0.000 0.191 593 E C 1.905 178.598 176.600 0.156 0.000 0.985 593 E CA 0.820 57.269 56.400 0.082 0.000 0.801 593 E CB 0.054 29.772 29.700 0.029 0.000 0.750 593 E HN 0.134 nan 8.360 nan 0.000 0.452 594 V N 1.338 121.264 119.914 0.020 0.000 2.261 594 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 594 V C 2.378 178.608 176.094 0.226 0.000 1.047 594 V CA 2.181 64.496 62.300 0.027 0.000 1.015 594 V CB -0.950 30.805 31.823 -0.114 0.000 0.642 594 V HN 0.288 nan 8.190 nan 0.000 0.446 595 T N -0.951 113.724 114.554 0.201 0.000 2.652 595 T HA -0.294 4.056 4.350 -0.000 0.000 0.267 595 T C 1.889 176.711 174.700 0.204 0.000 1.039 595 T CA 2.273 64.499 62.100 0.210 0.000 1.153 595 T CB -0.462 68.463 68.868 0.095 0.000 0.863 595 T HN 0.675 nan 8.240 nan 0.000 0.428 596 H N -0.412 118.723 119.070 0.108 0.000 2.422 596 H HA -0.117 4.439 4.556 -0.000 0.000 0.298 596 H C 1.979 177.366 175.328 0.099 0.000 1.098 596 H CA 1.669 57.768 56.048 0.084 0.000 1.315 596 H CB -0.259 29.543 29.762 0.066 0.000 1.382 596 H HN 0.531 nan 8.280 nan 0.000 0.523 597 Y N -0.545 119.824 120.300 0.116 0.000 2.133 597 Y HA -0.274 4.276 4.550 0.000 0.000 0.287 597 Y C 1.551 177.420 175.900 -0.052 0.000 1.134 597 Y CA 1.639 59.731 58.100 -0.012 0.000 1.133 597 Y CB -0.560 37.847 38.460 -0.088 0.000 0.987 597 Y HN 0.190 nan 8.280 nan 0.000 0.502 598 Y N 0.169 120.566 120.300 0.161 0.000 2.242 598 Y HA -0.126 4.424 4.550 -0.000 0.000 0.291 598 Y C 2.104 177.942 175.900 -0.104 0.000 1.137 598 Y CA 1.384 59.503 58.100 0.032 0.000 1.181 598 Y CB -0.487 38.063 38.460 0.149 0.000 0.989 598 Y HN 0.157 nan 8.280 nan 0.000 0.527 599 L N -1.633 119.611 121.223 0.036 0.000 2.509 599 L HA -0.011 4.329 4.340 -0.000 0.000 0.222 599 L C 1.717 178.496 176.870 -0.151 0.000 1.123 599 L CA 0.668 55.471 54.840 -0.061 0.000 0.856 599 L CB -0.274 41.741 42.059 -0.072 0.000 0.985 599 L HN 0.130 nan 8.230 nan 0.000 0.456 600 T N -0.992 113.427 114.554 -0.224 0.000 3.031 600 T HA -0.006 4.344 4.350 -0.000 0.000 0.236 600 T C 1.702 176.274 174.700 -0.214 0.000 1.005 600 T CA 0.570 62.525 62.100 -0.242 0.000 1.230 600 T CB 0.177 68.867 68.868 -0.297 0.000 0.913 600 T HN 0.071 nan 8.240 nan 0.000 0.419 601 K N 0.705 120.907 120.400 -0.330 0.000 2.400 601 K HA 0.171 4.491 4.320 -0.000 0.000 0.194 601 K C 0.884 177.297 176.600 -0.312 0.000 1.033 601 K CA 0.525 56.604 56.287 -0.347 0.000 1.021 601 K CB 0.340 32.555 32.500 -0.475 0.000 0.808 601 K HN 0.116 nan 8.250 nan 0.000 0.505 602 E N 0.408 120.443 120.200 -0.275 0.000 3.157 602 E HA 0.052 4.402 4.350 -0.000 0.000 0.203 602 E C 0.645 177.222 176.600 -0.038 0.000 0.982 602 E CA -0.093 56.247 56.400 -0.100 0.000 1.217 602 E CB 0.373 30.086 29.700 0.021 0.000 1.123 602 E HN 0.038 nan 8.360 nan 0.000 0.457 603 K N 0.239 120.598 120.400 -0.068 0.000 2.063 603 K HA -0.201 4.119 4.320 -0.000 0.000 0.208 603 K C 1.149 177.734 176.600 -0.024 0.000 1.048 603 K CA 1.678 57.935 56.287 -0.049 0.000 0.928 603 K CB 0.089 32.552 32.500 -0.062 0.000 0.713 603 K HN 0.093 nan 8.250 nan 0.000 0.442 604 N N 0.892 119.581 118.700 -0.018 0.000 2.120 604 N HA -0.119 4.621 4.740 -0.000 0.000 0.188 604 N C 1.316 176.830 175.510 0.006 0.000 1.024 604 N CA 1.496 54.542 53.050 -0.006 0.000 0.852 604 N CB -0.355 38.130 38.487 -0.003 0.000 1.003 604 N HN 0.403 nan 8.380 nan 0.000 0.424 605 N N -0.384 118.328 118.700 0.019 0.000 2.278 605 N HA 0.026 4.766 4.740 -0.000 0.000 0.181 605 N C -0.193 175.337 175.510 0.033 0.000 1.023 605 N CA 0.112 53.186 53.050 0.040 0.000 0.862 605 N CB 0.531 39.060 38.487 0.070 0.000 1.003 605 N HN -0.094 nan 8.380 nan 0.000 0.431 606 V N 2.415 122.347 119.914 0.030 0.000 2.479 606 V HA -0.032 4.088 4.120 -0.000 0.000 0.281 606 V C 1.164 177.235 176.094 -0.037 0.000 1.031 606 V CA 0.452 62.743 62.300 -0.015 0.000 1.038 606 V CB 1.242 33.068 31.823 0.004 0.000 0.981 606 V HN 0.245 nan 8.190 nan 0.000 0.478 607 E N 4.406 124.572 120.200 -0.056 0.000 2.042 607 E HA 0.001 4.351 4.350 -0.000 0.000 0.189 607 E C 0.833 177.400 176.600 -0.056 0.000 0.974 607 E CA 1.156 57.537 56.400 -0.030 0.000 0.806 607 E CB 0.284 29.981 29.700 -0.005 0.000 0.769 607 E HN 0.827 nan 8.360 nan 0.000 0.451 608 S N -1.552 114.068 115.700 -0.132 0.000 2.570 608 S HA 0.631 5.101 4.470 -0.000 0.000 0.270 608 S C -1.264 173.125 174.600 -0.352 0.000 1.149 608 S CA -0.790 57.229 58.200 -0.302 0.000 0.837 608 S CB 1.916 64.895 63.200 -0.369 0.000 1.124 608 S HN -0.020 nan 8.310 nan 0.000 0.465 609 V N 2.136 121.791 119.914 -0.432 0.000 2.380 609 V HA 0.467 4.587 4.120 -0.000 0.000 0.286 609 V C -1.268 174.697 176.094 -0.215 0.000 1.015 609 V CA -0.423 61.718 62.300 -0.263 0.000 0.834 609 V CB 0.666 32.419 31.823 -0.116 0.000 1.009 609 V HN 0.867 nan 8.190 nan 0.000 0.428 610 F N 4.447 124.316 119.950 -0.134 0.000 2.375 610 F HA 0.704 5.230 4.527 -0.000 0.000 0.362 610 F C 0.693 176.521 175.800 0.046 0.000 1.129 610 F CA -0.331 57.693 58.000 0.041 0.000 1.154 610 F CB 0.672 39.829 39.000 0.261 0.000 1.205 610 F HN 0.563 nan 8.300 nan 0.000 0.513 611 A N 5.529 128.290 122.820 -0.098 0.000 2.274 611 A HA 0.657 4.977 4.320 -0.000 0.000 0.309 611 A C -1.118 176.433 177.584 -0.056 0.000 1.226 611 A CA -0.573 51.445 52.037 -0.031 0.000 0.853 611 A CB 0.806 19.772 19.000 -0.057 0.000 1.146 611 A HN 0.501 nan 8.150 nan 0.000 0.518 612 V N 3.971 123.906 119.914 0.035 0.000 2.284 612 V HA 0.176 4.296 4.120 -0.000 0.000 0.274 612 V C 0.277 176.381 176.094 0.017 0.000 1.023 612 V CA -0.563 61.756 62.300 0.032 0.000 0.808 612 V CB 0.507 32.376 31.823 0.077 0.000 1.035 612 V HN 0.959 nan 8.190 nan 0.000 0.445 613 N N 3.557 122.256 118.700 -0.003 0.000 2.401 613 N HA 0.498 5.238 4.740 -0.000 0.000 0.255 613 N C 1.038 176.559 175.510 0.019 0.000 1.110 613 N CA 0.929 53.978 53.050 -0.001 0.000 0.949 613 N CB 0.646 39.128 38.487 -0.009 0.000 1.110 613 N HN 0.875 nan 8.380 nan 0.000 0.490 614 G N 3.398 112.210 108.800 0.020 0.000 3.033 614 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.196 614 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.196 614 G C -0.286 174.650 174.900 0.060 0.000 1.078 614 G CA -0.593 44.531 45.100 0.040 0.000 0.805 614 G HN 0.539 nan 8.290 nan 0.000 0.472 615 F N 2.972 122.861 119.950 -0.102 0.000 2.410 615 F HA 0.676 5.203 4.527 -0.000 0.000 0.349 615 F C 0.592 176.261 175.800 -0.218 0.000 1.117 615 F CA 0.415 58.320 58.000 -0.159 0.000 1.104 615 F CB 1.410 40.286 39.000 -0.207 0.000 1.122 615 F HN 0.391 nan 8.300 nan 0.000 0.483 616 G N 4.111 112.377 108.800 -0.890 0.000 2.816 616 G HA2 0.345 4.305 3.960 -0.000 0.000 0.288 616 G HA3 0.345 4.305 3.960 -0.000 0.000 0.288 616 G C -0.831 173.422 174.900 -1.078 0.000 1.334 616 G CA -0.605 44.025 45.100 -0.784 0.000 0.978 616 G HN 0.553 nan 8.290 nan 0.000 0.493 617 F N 0.245 119.960 119.950 -0.391 0.000 2.746 617 F HA 0.282 4.809 4.527 -0.000 0.000 0.297 617 F C 2.514 178.208 175.800 -0.177 0.000 1.113 617 F CA 0.504 58.336 58.000 -0.280 0.000 1.367 617 F CB 0.220 39.149 39.000 -0.118 0.000 1.111 617 F HN 0.453 nan 8.300 nan 0.000 0.590 618 A N 0.033 122.846 122.820 -0.011 0.000 1.841 618 A HA 0.396 4.715 4.320 -0.000 0.000 0.214 618 A C 1.702 179.271 177.584 -0.025 0.000 1.195 618 A CA 1.767 53.795 52.037 -0.015 0.000 0.611 618 A CB -1.028 17.960 19.000 -0.020 0.000 0.835 618 A HN 0.375 nan 8.150 nan 0.000 0.443 619 G N -2.026 106.726 108.800 -0.080 0.000 2.694 619 G HA2 0.552 4.512 3.960 -0.000 0.000 0.246 619 G HA3 0.552 4.512 3.960 -0.000 0.000 0.246 619 G C -1.093 173.737 174.900 -0.116 0.000 1.205 619 G CA -0.761 44.303 45.100 -0.059 0.000 0.891 619 G HN 0.330 nan 8.290 nan 0.000 0.515 620 R N -1.049 119.433 120.500 -0.031 0.000 2.744 620 R HA 0.693 5.033 4.340 -0.000 0.000 0.279 620 R C -0.491 175.818 176.300 0.015 0.000 0.977 620 R CA -0.046 56.051 56.100 -0.005 0.000 0.906 620 R CB 2.330 32.676 30.300 0.077 0.000 1.197 620 R HN 1.402 nan 8.270 nan 0.000 0.463 621 G N 0.465 109.276 108.800 0.018 0.000 2.352 621 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.305 621 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.305 621 G C -0.198 174.713 174.900 0.019 0.000 1.537 621 G CA -0.848 44.268 45.100 0.026 0.000 0.959 621 G HN 0.560 nan 8.290 nan 0.000 0.668 622 Q N -0.402 119.413 119.800 0.025 0.000 2.376 622 Q HA -0.187 4.153 4.340 -0.000 0.000 0.211 622 Q C 2.168 178.173 176.000 0.008 0.000 0.986 622 Q CA 1.560 57.374 55.803 0.018 0.000 0.886 622 Q CB 0.012 28.763 28.738 0.021 0.000 0.927 622 Q HN 0.500 nan 8.270 nan 0.000 0.457 623 N N 0.018 118.723 118.700 0.008 0.000 2.244 623 N HA -0.077 4.663 4.740 -0.000 0.000 0.183 623 N C 0.065 175.571 175.510 -0.007 0.000 1.016 623 N CA 1.028 54.080 53.050 0.004 0.000 0.866 623 N CB 0.364 38.858 38.487 0.012 0.000 0.980 623 N HN 0.076 nan 8.380 nan 0.000 0.430 624 T N -1.718 112.824 114.554 -0.020 0.000 2.906 624 T HA 0.732 5.082 4.350 -0.000 0.000 0.295 624 T C -0.406 174.261 174.700 -0.054 0.000 1.061 624 T CA -0.360 61.717 62.100 -0.040 0.000 1.000 624 T CB 1.393 70.224 68.868 -0.063 0.000 1.103 624 T HN 0.214 nan 8.240 nan 0.000 0.486 625 G N 1.519 110.284 108.800 -0.058 0.000 2.827 625 G HA2 0.772 4.732 3.960 -0.000 0.000 0.296 625 G HA3 0.772 4.732 3.960 -0.000 0.000 0.296 625 G C -1.878 172.985 174.900 -0.062 0.000 1.362 625 G CA -0.612 44.454 45.100 -0.057 0.000 0.809 625 G HN 0.870 nan 8.290 nan 0.000 0.522 626 I N -0.788 119.766 120.570 -0.027 0.000 2.827 626 I HA 0.667 4.837 4.170 -0.000 0.000 0.298 626 I C -0.918 175.234 176.117 0.058 0.000 1.235 626 I CA -0.987 60.319 61.300 0.011 0.000 1.021 626 I CB 2.349 40.335 38.000 -0.023 0.000 1.259 626 I HN 0.796 nan 8.210 nan 0.000 0.427 627 A N 5.984 128.848 122.820 0.074 0.000 2.409 627 A HA 0.527 4.847 4.320 -0.000 0.000 0.300 627 A C -1.243 176.381 177.584 0.066 0.000 1.273 627 A CA -0.311 51.776 52.037 0.085 0.000 0.774 627 A CB 0.286 19.336 19.000 0.083 0.000 1.144 627 A HN 0.517 nan 8.150 nan 0.000 0.472 628 F N 3.428 123.349 119.950 -0.047 0.000 2.427 628 F HA 0.496 5.023 4.527 -0.000 0.000 0.352 628 F C -0.148 175.500 175.800 -0.254 0.000 1.100 628 F CA -0.188 57.736 58.000 -0.126 0.000 1.191 628 F CB 1.262 40.248 39.000 -0.024 0.000 1.128 628 F HN 0.284 nan 8.300 nan 0.000 0.533 629 V N 5.498 124.765 119.914 -1.079 0.000 2.350 629 V HA 0.349 4.469 4.120 -0.000 0.000 0.285 629 V C -0.326 175.169 176.094 -0.998 0.000 1.014 629 V CA -0.777 60.857 62.300 -1.111 0.000 0.831 629 V CB 0.930 31.692 31.823 -1.769 0.000 1.000 629 V HN 0.792 nan 8.190 nan 0.000 0.433 630 S N 5.923 121.280 115.700 -0.573 0.000 2.554 630 S HA 0.766 5.236 4.470 -0.000 0.000 0.278 630 S C -0.225 174.267 174.600 -0.179 0.000 1.242 630 S CA -0.521 57.504 58.200 -0.291 0.000 1.051 630 S CB 1.334 64.509 63.200 -0.041 0.000 0.986 630 S HN 0.511 nan 8.310 nan 0.000 0.502 631 L N 1.807 122.982 121.223 -0.080 0.000 2.304 631 L HA 0.517 4.857 4.340 -0.000 0.000 0.268 631 L C 0.288 177.130 176.870 -0.045 0.000 1.010 631 L CA -1.220 53.603 54.840 -0.028 0.000 0.813 631 L CB 0.792 42.886 42.059 0.057 0.000 1.315 631 L HN 0.402 nan 8.230 nan 0.000 0.445 632 K N 1.043 121.417 120.400 -0.043 0.000 2.326 632 K HA 0.131 4.451 4.320 -0.000 0.000 0.275 632 K C -0.777 175.720 176.600 -0.172 0.000 1.018 632 K CA -0.359 55.877 56.287 -0.086 0.000 0.962 632 K CB 0.500 32.971 32.500 -0.049 0.000 0.953 632 K HN 0.620 nan 8.250 nan 0.000 0.475 633 D N -0.049 120.149 120.400 -0.336 0.000 2.382 633 D HA -0.056 4.584 4.640 -0.000 0.000 0.240 633 D C 0.767 176.779 176.300 -0.479 0.000 1.146 633 D CA -0.552 52.997 54.000 -0.752 0.000 0.897 633 D CB 0.286 40.476 40.800 -1.016 0.000 1.197 633 D HN 0.587 nan 8.370 nan 0.000 0.432 634 W N 0.818 122.166 121.300 0.081 0.000 2.337 634 W HA -0.197 4.463 4.660 0.000 0.000 0.272 634 W C 1.915 178.469 176.519 0.058 0.000 1.203 634 W CA 0.541 57.931 57.345 0.076 0.000 1.165 634 W CB -0.979 28.536 29.460 0.091 0.000 1.133 634 W HN 0.477 nan 8.180 nan 0.000 0.571 635 A N 0.954 123.807 122.820 0.055 0.000 1.929 635 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 635 A C 1.784 179.393 177.584 0.041 0.000 1.176 635 A CA 1.761 53.837 52.037 0.064 0.000 0.628 635 A CB -0.574 18.429 19.000 0.005 0.000 0.816 635 A HN 0.269 nan 8.150 nan 0.000 0.444 636 D N -0.739 119.664 120.400 0.006 0.000 2.354 636 D HA 0.051 4.691 4.640 -0.000 0.000 0.209 636 D C 0.320 176.642 176.300 0.037 0.000 1.015 636 D CA 0.374 54.380 54.000 0.011 0.000 0.867 636 D CB 0.097 40.888 40.800 -0.016 0.000 0.933 636 D HN 0.355 nan 8.370 nan 0.000 0.520 637 R N 1.292 121.833 120.500 0.068 0.000 2.332 637 R HA 0.232 4.572 4.340 -0.000 0.000 0.306 637 R C -1.760 174.602 176.300 0.104 0.000 1.117 637 R CA -1.240 54.913 56.100 0.087 0.000 1.108 637 R CB 1.579 31.945 30.300 0.111 0.000 1.126 637 R HN -0.044 nan 8.270 nan 0.000 0.548 638 P HA -0.039 nan 4.420 nan 0.000 0.215 638 P C 0.821 178.164 177.300 0.071 0.000 1.160 638 P CA 0.611 63.756 63.100 0.075 0.000 0.869 638 P CB 0.280 32.013 31.700 0.054 0.000 0.782 639 G N -0.297 108.538 108.800 0.058 0.000 2.588 639 G HA2 0.067 4.027 3.960 -0.000 0.000 0.281 639 G HA3 0.067 4.027 3.960 -0.000 0.000 0.281 639 G C 0.748 175.680 174.900 0.053 0.000 1.236 639 G CA -0.291 44.839 45.100 0.049 0.000 0.969 639 G HN -0.033 nan 8.290 nan 0.000 0.504 640 E N 0.126 120.351 120.200 0.041 0.000 2.208 640 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 640 E C 2.319 178.939 176.600 0.033 0.000 0.988 640 E CA 0.914 57.336 56.400 0.037 0.000 0.828 640 E CB 0.094 29.811 29.700 0.027 0.000 0.763 640 E HN 0.771 nan 8.360 nan 0.000 0.478 641 E N 0.488 120.706 120.200 0.030 0.000 2.482 641 E HA -0.109 4.241 4.350 -0.000 0.000 0.196 641 E C 0.590 177.212 176.600 0.036 0.000 1.047 641 E CA 0.599 57.014 56.400 0.026 0.000 0.869 641 E CB -0.116 29.596 29.700 0.020 0.000 0.836 641 E HN 0.042 nan 8.360 nan 0.000 0.520 642 N N 0.258 118.987 118.700 0.048 0.000 2.205 642 N HA 0.119 4.859 4.740 -0.000 0.000 0.201 642 N C -0.305 175.256 175.510 0.084 0.000 1.128 642 N CA -0.030 53.058 53.050 0.062 0.000 0.867 642 N CB 0.704 39.229 38.487 0.063 0.000 0.996 642 N HN 0.091 nan 8.380 nan 0.000 0.503 643 K N -0.481 119.965 120.400 0.078 0.000 2.148 643 K HA 0.280 4.600 4.320 -0.000 0.000 0.239 643 K C 1.017 177.652 176.600 0.058 0.000 1.018 643 K CA -0.594 55.750 56.287 0.096 0.000 0.923 643 K CB 1.281 33.836 32.500 0.091 0.000 1.117 643 K HN -0.288 nan 8.250 nan 0.000 0.477 644 V N 1.625 121.578 119.914 0.065 0.000 2.233 644 V HA -0.273 3.847 4.120 -0.000 0.000 0.247 644 V C 2.039 178.068 176.094 -0.108 0.000 1.050 644 V CA 1.778 64.060 62.300 -0.030 0.000 1.010 644 V CB -0.486 31.363 31.823 0.043 0.000 0.637 644 V HN 0.709 nan 8.190 nan 0.000 0.444 645 E N 0.467 120.648 120.200 -0.032 0.000 2.095 645 E HA -0.345 4.005 4.350 -0.000 0.000 0.212 645 E C 2.290 178.861 176.600 -0.048 0.000 1.044 645 E CA 2.177 58.560 56.400 -0.028 0.000 0.857 645 E CB -0.816 28.887 29.700 0.006 0.000 0.764 645 E HN 0.619 nan 8.360 nan 0.000 0.462 646 A N 0.825 123.627 122.820 -0.029 0.000 1.897 646 A HA -0.095 4.225 4.320 -0.000 0.000 0.215 646 A C 2.436 179.999 177.584 -0.033 0.000 1.181 646 A CA 1.168 53.193 52.037 -0.020 0.000 0.620 646 A CB -0.654 18.348 19.000 0.002 0.000 0.821 646 A HN 0.200 nan 8.150 nan 0.000 0.443 647 I N 0.570 121.109 120.570 -0.052 0.000 2.194 647 I HA -0.295 3.875 4.170 -0.000 0.000 0.246 647 I C 2.870 178.940 176.117 -0.078 0.000 1.093 647 I CA 2.011 63.293 61.300 -0.030 0.000 1.355 647 I CB -0.629 37.357 38.000 -0.023 0.000 1.046 647 I HN 0.576 nan 8.210 nan 0.000 0.413 648 T N -1.532 112.854 114.554 -0.279 0.000 2.904 648 T HA -0.170 4.180 4.350 -0.000 0.000 0.267 648 T C 1.769 176.435 174.700 -0.056 0.000 1.059 648 T CA 0.891 62.837 62.100 -0.256 0.000 1.137 648 T CB -0.248 68.398 68.868 -0.371 0.000 0.879 648 T HN 0.120 nan 8.240 nan 0.000 0.467 649 M N 2.242 121.813 119.600 -0.048 0.000 2.175 649 M HA 0.096 4.576 4.480 -0.000 0.000 0.264 649 M C 2.389 178.671 176.300 -0.029 0.000 1.063 649 M CA 1.401 56.689 55.300 -0.021 0.000 1.119 649 M CB -0.344 32.246 32.600 -0.017 0.000 1.377 649 M HN 0.476 nan 8.290 nan 0.000 0.415 650 R N -0.845 119.643 120.500 -0.020 0.000 2.200 650 R HA 0.181 4.521 4.340 -0.000 0.000 0.208 650 R C 1.880 178.118 176.300 -0.104 0.000 1.033 650 R CA 1.046 57.129 56.100 -0.029 0.000 1.000 650 R CB -0.727 29.585 30.300 0.021 0.000 0.906 650 R HN 0.285 nan 8.270 nan 0.000 0.462 651 A N 1.765 124.529 122.820 -0.093 0.000 1.855 651 A HA -0.112 4.208 4.320 -0.000 0.000 0.215 651 A C 2.230 179.596 177.584 -0.363 0.000 1.191 651 A CA 1.869 53.692 52.037 -0.356 0.000 0.613 651 A CB -1.101 17.929 19.000 0.049 0.000 0.829 651 A HN 0.512 nan 8.150 nan 0.000 0.442 652 T N -0.274 114.243 114.554 -0.062 0.000 2.759 652 T HA -0.240 4.110 4.350 -0.000 0.000 0.269 652 T C 1.964 176.602 174.700 -0.102 0.000 1.042 652 T CA 1.556 63.648 62.100 -0.013 0.000 1.140 652 T CB -0.405 68.458 68.868 -0.009 0.000 0.864 652 T HN 0.636 nan 8.240 nan 0.000 0.455 653 R N 1.972 122.391 120.500 -0.135 0.000 2.080 653 R HA -0.019 4.321 4.340 -0.000 0.000 0.236 653 R C 2.645 178.826 176.300 -0.198 0.000 1.137 653 R CA 1.574 57.594 56.100 -0.133 0.000 0.943 653 R CB -0.753 29.487 30.300 -0.099 0.000 0.846 653 R HN 0.381 nan 8.270 nan 0.000 0.431 654 A N -0.116 122.481 122.820 -0.371 0.000 2.019 654 A HA -0.090 4.230 4.320 -0.000 0.000 0.219 654 A C 1.625 178.909 177.584 -0.500 0.000 1.164 654 A CA 1.068 52.801 52.037 -0.507 0.000 0.644 654 A CB -0.414 18.091 19.000 -0.825 0.000 0.805 654 A HN 0.447 nan 8.150 nan 0.000 0.449 655 F N 0.101 119.923 119.950 -0.214 0.000 2.656 655 F HA 0.026 4.553 4.527 -0.000 0.000 0.291 655 F C 2.656 178.384 175.800 -0.120 0.000 1.122 655 F CA 0.602 58.497 58.000 -0.175 0.000 1.427 655 F CB -0.478 38.409 39.000 -0.188 0.000 1.125 655 F HN 0.287 nan 8.300 nan 0.000 0.583 656 S N -0.230 115.486 115.700 0.026 0.000 2.402 656 S HA -0.208 4.262 4.470 -0.000 0.000 0.229 656 S C 1.607 176.200 174.600 -0.011 0.000 1.021 656 S CA 1.046 59.238 58.200 -0.012 0.000 0.974 656 S CB -0.586 62.582 63.200 -0.053 0.000 0.800 656 S HN 0.499 nan 8.310 nan 0.000 0.484 657 Q N 0.561 120.349 119.800 -0.019 0.000 2.425 657 Q HA 0.367 4.707 4.340 -0.000 0.000 0.204 657 Q C 1.757 177.756 176.000 -0.002 0.000 0.933 657 Q CA 0.755 56.548 55.803 -0.018 0.000 0.939 657 Q CB -0.079 28.640 28.738 -0.032 0.000 1.044 657 Q HN 0.950 nan 8.270 nan 0.000 0.513 658 I N -4.703 115.879 120.570 0.020 0.000 4.592 658 I HA 0.294 4.464 4.170 -0.000 0.000 0.329 658 I C -0.020 176.118 176.117 0.035 0.000 1.309 658 I CA -0.489 60.830 61.300 0.031 0.000 1.243 658 I CB 0.587 38.615 38.000 0.047 0.000 1.241 658 I HN -0.243 nan 8.210 nan 0.000 0.434 659 K N 2.444 122.868 120.400 0.040 0.000 2.106 659 K HA 0.286 4.606 4.320 -0.000 0.000 0.246 659 K C -0.243 176.360 176.600 0.005 0.000 0.987 659 K CA -0.122 56.178 56.287 0.021 0.000 0.904 659 K CB 1.386 33.895 32.500 0.016 0.000 1.071 659 K HN 0.241 nan 8.250 nan 0.000 0.453 660 D N -1.686 118.712 120.400 -0.004 0.000 2.433 660 D HA 0.216 4.856 4.640 -0.000 0.000 0.211 660 D C -0.070 176.228 176.300 -0.003 0.000 1.114 660 D CA -0.377 53.621 54.000 -0.004 0.000 0.837 660 D CB 0.549 41.345 40.800 -0.007 0.000 0.984 660 D HN 0.374 nan 8.370 nan 0.000 0.505 661 A N 0.037 122.852 122.820 -0.008 0.000 2.423 661 A HA 0.701 5.021 4.320 -0.000 0.000 0.304 661 A C -0.836 176.753 177.584 0.007 0.000 1.104 661 A CA -0.947 51.089 52.037 -0.003 0.000 0.757 661 A CB 1.319 20.308 19.000 -0.020 0.000 1.313 661 A HN 0.145 nan 8.150 nan 0.000 0.423 662 M N 1.991 121.616 119.600 0.042 0.000 2.156 662 M HA 0.389 4.869 4.480 -0.000 0.000 0.345 662 M C -1.071 175.294 176.300 0.109 0.000 1.398 662 M CA -0.100 55.249 55.300 0.082 0.000 1.148 662 M CB 0.239 32.935 32.600 0.161 0.000 1.663 662 M HN 0.268 nan 8.290 nan 0.000 0.464 663 V N 7.416 127.359 119.914 0.048 0.000 2.250 663 V HA 0.322 4.442 4.120 -0.000 0.000 0.268 663 V C -0.073 176.093 176.094 0.120 0.000 1.043 663 V CA -0.763 61.549 62.300 0.020 0.000 0.814 663 V CB -0.700 30.968 31.823 -0.258 0.000 1.072 663 V HN 0.668 nan 8.190 nan 0.000 0.451 664 F N 2.178 122.200 119.950 0.121 0.000 2.472 664 F HA 0.568 5.095 4.527 -0.000 0.000 0.312 664 F C 0.888 176.824 175.800 0.225 0.000 1.256 664 F CA 0.667 58.795 58.000 0.213 0.000 1.275 664 F CB 0.795 39.988 39.000 0.321 0.000 1.228 664 F HN 0.504 nan 8.300 nan 0.000 0.567 665 A N 2.204 125.315 122.820 0.485 0.000 2.491 665 A HA 0.664 4.984 4.320 -0.000 0.000 0.293 665 A C -1.608 176.193 177.584 0.360 0.000 1.047 665 A CA -0.467 51.764 52.037 0.323 0.000 0.735 665 A CB 0.518 19.705 19.000 0.312 0.000 1.281 665 A HN 0.720 nan 8.150 nan 0.000 0.398 666 F N 0.870 121.006 119.950 0.311 0.000 2.713 666 F HA 0.749 5.276 4.527 0.000 0.000 0.311 666 F C -0.698 175.247 175.800 0.242 0.000 1.141 666 F CA -1.096 57.029 58.000 0.208 0.000 0.939 666 F CB 1.302 40.419 39.000 0.196 0.000 1.325 666 F HN 0.550 nan 8.300 nan 0.000 0.453 667 N N 2.012 120.953 118.700 0.403 0.000 2.430 667 N HA 0.539 5.279 4.740 -0.000 0.000 0.298 667 N C -0.945 174.798 175.510 0.390 0.000 1.130 667 N CA -0.724 52.540 53.050 0.357 0.000 0.894 667 N CB 2.286 40.899 38.487 0.209 0.000 1.209 667 N HN 0.953 nan 8.380 nan 0.000 0.503 668 L N -1.614 119.808 121.223 0.331 0.000 2.439 668 L HA 0.478 4.818 4.340 -0.000 0.000 0.269 668 L C -2.188 174.780 176.870 0.164 0.000 1.179 668 L CA -1.733 53.261 54.840 0.257 0.000 0.828 668 L CB -0.692 41.503 42.059 0.228 0.000 1.106 668 L HN 0.308 nan 8.230 nan 0.000 0.467 669 P HA 0.155 nan 4.420 nan 0.000 0.272 669 P C 0.271 177.616 177.300 0.075 0.000 1.230 669 P CA -0.216 62.929 63.100 0.074 0.000 0.788 669 P CB 0.941 32.659 31.700 0.030 0.000 0.949 670 A N 1.836 124.700 122.820 0.073 0.000 1.842 670 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 670 A C 0.946 178.526 177.584 -0.007 0.000 1.206 670 A CA 1.497 53.593 52.037 0.097 0.000 0.630 670 A CB -1.401 17.677 19.000 0.130 0.000 0.839 670 A HN 0.528 nan 8.150 nan 0.000 0.447 671 I N 0.545 120.997 120.570 -0.197 0.000 2.322 671 I HA 0.124 4.294 4.170 -0.000 0.000 0.292 671 I C 0.055 176.127 176.117 -0.076 0.000 1.060 671 I CA 0.131 61.288 61.300 -0.239 0.000 1.309 671 I CB 1.615 39.394 38.000 -0.368 0.000 1.415 671 I HN 0.029 nan 8.210 nan 0.000 0.492 672 V N 7.595 127.512 119.914 0.005 0.000 2.670 672 V HA 0.079 4.199 4.120 -0.000 0.000 0.344 672 V C 0.974 177.066 176.094 -0.003 0.000 1.648 672 V CA 0.346 62.663 62.300 0.027 0.000 1.673 672 V CB -1.624 30.253 31.823 0.089 0.000 1.382 672 V HN 0.917 nan 8.190 nan 0.000 0.503 673 E N -1.140 119.037 120.200 -0.038 0.000 2.671 673 E HA 0.159 4.509 4.350 -0.000 0.000 0.204 673 E C 0.344 176.908 176.600 -0.060 0.000 0.940 673 E CA -0.351 56.024 56.400 -0.042 0.000 1.328 673 E CB 0.273 29.957 29.700 -0.027 0.000 1.214 673 E HN 0.480 nan 8.360 nan 0.000 0.624 674 L N 1.392 122.565 121.223 -0.084 0.000 2.475 674 L HA 0.378 4.718 4.340 -0.000 0.000 0.250 674 L C 1.200 178.040 176.870 -0.050 0.000 1.224 674 L CA 0.381 55.159 54.840 -0.104 0.000 0.821 674 L CB 0.498 42.467 42.059 -0.150 0.000 1.141 674 L HN 0.159 nan 8.230 nan 0.000 0.494 675 G N -1.135 107.656 108.800 -0.016 0.000 2.695 675 G HA2 0.326 4.286 3.960 -0.000 0.000 0.213 675 G HA3 0.326 4.286 3.960 -0.000 0.000 0.213 675 G C 0.330 175.290 174.900 0.100 0.000 1.406 675 G CA 0.435 45.561 45.100 0.043 0.000 1.049 675 G HN 0.618 nan 8.290 nan 0.000 0.573 676 T N -3.724 110.896 114.554 0.111 0.000 3.132 676 T HA 0.507 4.857 4.350 -0.000 0.000 0.274 676 T C 1.524 176.267 174.700 0.072 0.000 1.011 676 T CA 1.024 63.169 62.100 0.074 0.000 0.899 676 T CB 0.343 69.208 68.868 -0.004 0.000 1.089 676 T HN 2.023 nan 8.240 nan 0.000 0.543 677 A N 1.348 124.265 122.820 0.162 0.000 1.283 677 A HA -0.313 4.007 4.320 -0.000 0.000 0.229 677 A C 1.606 179.142 177.584 -0.080 0.000 0.488 677 A CA 2.175 54.132 52.037 -0.134 0.000 1.094 677 A CB -2.315 16.428 19.000 -0.429 0.000 1.470 677 A HN 0.894 nan 8.150 nan 0.000 0.723 678 T N 0.723 115.239 114.554 -0.063 0.000 3.406 678 T HA 0.482 4.832 4.350 -0.000 0.000 0.244 678 T C 0.348 175.054 174.700 0.009 0.000 0.949 678 T CA 1.457 63.539 62.100 -0.030 0.000 0.926 678 T CB -1.425 67.417 68.868 -0.044 0.000 1.089 678 T HN 1.795 nan 8.240 nan 0.000 0.604 679 G N 1.034 109.853 108.800 0.032 0.000 2.619 679 G HA2 0.647 4.607 3.960 -0.000 0.000 0.296 679 G HA3 0.647 4.607 3.960 -0.000 0.000 0.296 679 G C -1.305 173.654 174.900 0.099 0.000 1.334 679 G CA -1.045 44.054 45.100 -0.003 0.000 0.934 679 G HN 0.353 nan 8.290 nan 0.000 0.476 680 F N -0.919 119.070 119.950 0.065 0.000 2.664 680 F HA 0.845 5.372 4.527 0.000 0.000 0.329 680 F C -1.360 174.559 175.800 0.197 0.000 1.090 680 F CA -1.709 56.363 58.000 0.119 0.000 0.978 680 F CB 2.422 41.494 39.000 0.119 0.000 1.378 680 F HN 0.340 nan 8.300 nan 0.000 0.495 681 D N 1.383 122.167 120.400 0.640 0.000 2.358 681 D HA 0.241 4.881 4.640 -0.000 0.000 0.253 681 D C -1.944 174.701 176.300 0.575 0.000 1.288 681 D CA -0.084 54.178 54.000 0.438 0.000 0.950 681 D CB 1.033 41.965 40.800 0.221 0.000 1.197 681 D HN 0.504 nan 8.370 nan 0.000 0.550 682 F N 2.052 122.222 119.950 0.366 0.000 2.399 682 F HA 0.501 5.028 4.527 -0.000 0.000 0.334 682 F C -0.130 175.580 175.800 -0.150 0.000 1.097 682 F CA -0.587 57.422 58.000 0.015 0.000 1.076 682 F CB 1.487 40.496 39.000 0.014 0.000 1.162 682 F HN 0.109 nan 8.300 nan 0.000 0.495 683 E N 4.577 124.223 120.200 -0.923 0.000 2.216 683 E HA 0.385 4.735 4.350 -0.000 0.000 0.260 683 E C -1.883 174.313 176.600 -0.673 0.000 0.880 683 E CA -0.647 55.353 56.400 -0.667 0.000 0.765 683 E CB 1.345 30.520 29.700 -0.874 0.000 1.174 683 E HN 0.607 nan 8.360 nan 0.000 0.417 684 L N 5.424 126.523 121.223 -0.207 0.000 2.292 684 L HA 0.553 4.893 4.340 -0.000 0.000 0.284 684 L C -1.048 175.797 176.870 -0.043 0.000 1.065 684 L CA -0.018 54.806 54.840 -0.028 0.000 0.806 684 L CB 0.698 42.839 42.059 0.135 0.000 1.175 684 L HN 0.609 nan 8.230 nan 0.000 0.431 685 I N 3.148 123.704 120.570 -0.023 0.000 2.509 685 I HA 0.276 4.446 4.170 -0.000 0.000 0.293 685 I C -0.957 175.168 176.117 0.014 0.000 1.020 685 I CA -0.824 60.474 61.300 -0.005 0.000 1.088 685 I CB 2.014 40.003 38.000 -0.019 0.000 1.267 685 I HN 0.493 nan 8.210 nan 0.000 0.430 686 D N 4.396 124.810 120.400 0.022 0.000 2.380 686 D HA 0.157 4.797 4.640 -0.000 0.000 0.230 686 D C 0.318 176.628 176.300 0.016 0.000 1.154 686 D CA 0.065 54.078 54.000 0.021 0.000 0.859 686 D CB 1.286 42.103 40.800 0.028 0.000 1.045 686 D HN 0.405 nan 8.370 nan 0.000 0.495 687 Q N 2.282 122.088 119.800 0.010 0.000 2.352 687 Q HA 0.371 4.711 4.340 -0.000 0.000 0.212 687 Q C 0.185 176.188 176.000 0.005 0.000 0.888 687 Q CA 0.090 55.895 55.803 0.003 0.000 0.934 687 Q CB 0.729 29.464 28.738 -0.006 0.000 1.093 687 Q HN 0.576 nan 8.270 nan 0.000 0.523 688 A N -1.622 121.204 122.820 0.010 0.000 3.791 688 A HA 0.669 4.989 4.320 -0.000 0.000 0.159 688 A C 1.242 178.834 177.584 0.013 0.000 1.359 688 A CA 0.028 52.071 52.037 0.010 0.000 0.899 688 A CB -0.609 18.396 19.000 0.010 0.000 1.642 688 A HN 0.232 nan 8.150 nan 0.000 0.612 689 G N -0.492 108.316 108.800 0.013 0.000 2.421 689 G HA2 0.197 4.157 3.960 -0.000 0.000 0.217 689 G HA3 0.197 4.157 3.960 -0.000 0.000 0.217 689 G C 0.735 175.646 174.900 0.020 0.000 1.143 689 G CA 0.672 45.782 45.100 0.016 0.000 0.784 689 G HN 0.755 nan 8.290 nan 0.000 0.541 690 L N 0.415 121.649 121.223 0.018 0.000 2.581 690 L HA 0.391 4.731 4.340 -0.000 0.000 0.299 690 L C 1.158 178.046 176.870 0.029 0.000 1.261 690 L CA -0.050 54.802 54.840 0.020 0.000 0.866 690 L CB -0.350 41.717 42.059 0.013 0.000 1.113 690 L HN 0.056 nan 8.230 nan 0.000 0.514 691 G N -0.870 107.951 108.800 0.036 0.000 2.606 691 G HA2 0.221 4.181 3.960 -0.000 0.000 0.262 691 G HA3 0.221 4.181 3.960 -0.000 0.000 0.262 691 G C 0.463 175.410 174.900 0.079 0.000 1.394 691 G CA 0.044 45.181 45.100 0.063 0.000 1.044 691 G HN 0.895 nan 8.290 nan 0.000 0.553 692 H N -0.858 118.226 119.070 0.022 0.000 2.290 692 H HA -0.131 4.425 4.556 -0.000 0.000 0.298 692 H C 2.231 177.572 175.328 0.022 0.000 1.087 692 H CA 2.665 58.729 56.048 0.025 0.000 1.291 692 H CB -0.001 29.779 29.762 0.030 0.000 1.369 692 H HN 0.593 nan 8.280 nan 0.000 0.492 693 E N -0.071 120.132 120.200 0.005 0.000 2.031 693 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 693 E C 2.167 178.717 176.600 -0.084 0.000 0.994 693 E CA 1.230 57.591 56.400 -0.064 0.000 0.800 693 E CB -0.034 29.685 29.700 0.032 0.000 0.752 693 E HN 0.264 nan 8.360 nan 0.000 0.447 694 K N 0.613 120.992 120.400 -0.035 0.000 2.152 694 K HA -0.108 4.212 4.320 -0.000 0.000 0.206 694 K C 2.083 178.656 176.600 -0.045 0.000 1.048 694 K CA 0.781 57.050 56.287 -0.029 0.000 0.933 694 K CB -0.266 32.231 32.500 -0.005 0.000 0.721 694 K HN 0.169 nan 8.250 nan 0.000 0.447 695 L N -0.064 121.120 121.223 -0.065 0.000 2.056 695 L HA -0.216 4.124 4.340 -0.000 0.000 0.207 695 L C 1.827 178.635 176.870 -0.102 0.000 1.078 695 L CA 1.622 56.421 54.840 -0.069 0.000 0.749 695 L CB -0.431 41.591 42.059 -0.063 0.000 0.901 695 L HN 0.284 nan 8.230 nan 0.000 0.433 696 T N -0.997 113.444 114.554 -0.188 0.000 2.684 696 T HA -0.309 4.041 4.350 -0.000 0.000 0.267 696 T C 1.676 176.321 174.700 -0.091 0.000 1.036 696 T CA 1.668 63.666 62.100 -0.171 0.000 1.148 696 T CB -0.172 68.550 68.868 -0.244 0.000 0.863 696 T HN 0.285 nan 8.240 nan 0.000 0.436 697 Q N 0.825 120.579 119.800 -0.077 0.000 2.062 697 Q HA -0.161 4.179 4.340 -0.000 0.000 0.209 697 Q C 2.407 178.386 176.000 -0.036 0.000 0.996 697 Q CA 2.114 57.888 55.803 -0.049 0.000 0.859 697 Q CB -0.592 28.123 28.738 -0.038 0.000 0.920 697 Q HN 0.567 nan 8.270 nan 0.000 0.415 698 A N 0.370 123.171 122.820 -0.031 0.000 1.902 698 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 698 A C 2.049 179.624 177.584 -0.016 0.000 1.181 698 A CA 1.728 53.755 52.037 -0.016 0.000 0.623 698 A CB -0.701 18.297 19.000 -0.003 0.000 0.818 698 A HN 0.444 nan 8.150 nan 0.000 0.443 699 R N -0.154 120.334 120.500 -0.019 0.000 2.081 699 R HA -0.168 4.172 4.340 -0.000 0.000 0.235 699 R C 1.561 177.846 176.300 -0.024 0.000 1.131 699 R CA 1.846 57.938 56.100 -0.014 0.000 0.960 699 R CB -0.433 29.859 30.300 -0.012 0.000 0.856 699 R HN 0.473 nan 8.270 nan 0.000 0.436 700 N N 0.914 119.597 118.700 -0.028 0.000 2.205 700 N HA -0.222 4.518 4.740 -0.000 0.000 0.186 700 N C 1.627 177.121 175.510 -0.025 0.000 1.015 700 N CA 1.327 54.361 53.050 -0.026 0.000 0.862 700 N CB -0.288 38.181 38.487 -0.030 0.000 0.986 700 N HN 0.465 nan 8.380 nan 0.000 0.429 701 Q N -0.208 119.576 119.800 -0.026 0.000 2.167 701 Q HA -0.016 4.324 4.340 -0.000 0.000 0.202 701 Q C 1.836 177.816 176.000 -0.034 0.000 0.970 701 Q CA 0.716 56.504 55.803 -0.025 0.000 0.855 701 Q CB 0.034 28.760 28.738 -0.020 0.000 0.911 701 Q HN 0.227 nan 8.270 nan 0.000 0.438 702 L N -0.122 121.072 121.223 -0.048 0.000 2.127 702 L HA -0.030 4.310 4.340 -0.000 0.000 0.203 702 L C 1.861 178.686 176.870 -0.075 0.000 1.080 702 L CA 1.165 55.953 54.840 -0.086 0.000 0.768 702 L CB -0.157 41.822 42.059 -0.134 0.000 0.924 702 L HN 0.243 nan 8.230 nan 0.000 0.444 703 L N -0.652 120.541 121.223 -0.050 0.000 2.046 703 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 703 L C 2.668 179.529 176.870 -0.016 0.000 1.077 703 L CA 1.225 56.047 54.840 -0.030 0.000 0.747 703 L CB -0.942 41.106 42.059 -0.018 0.000 0.896 703 L HN 0.366 nan 8.230 nan 0.000 0.432 704 A N -0.425 122.386 122.820 -0.015 0.000 1.877 704 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 704 A C 2.212 179.797 177.584 0.001 0.000 1.186 704 A CA 1.431 53.463 52.037 -0.009 0.000 0.620 704 A CB -0.386 18.607 19.000 -0.012 0.000 0.822 704 A HN 0.341 nan 8.150 nan 0.000 0.443 705 E N -0.168 120.035 120.200 0.004 0.000 2.153 705 E HA -0.118 4.232 4.350 -0.000 0.000 0.194 705 E C 2.307 178.967 176.600 0.100 0.000 0.988 705 E CA 1.049 57.473 56.400 0.040 0.000 0.811 705 E CB -0.412 29.301 29.700 0.022 0.000 0.746 705 E HN 0.580 nan 8.360 nan 0.000 0.466 706 A N 1.397 124.241 122.820 0.040 0.000 1.933 706 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 706 A C 2.365 179.999 177.584 0.084 0.000 1.175 706 A CA 1.793 53.862 52.037 0.053 0.000 0.628 706 A CB -0.396 18.606 19.000 0.004 0.000 0.814 706 A HN 0.256 nan 8.150 nan 0.000 0.444 707 A N -0.839 122.008 122.820 0.045 0.000 2.119 707 A HA -0.022 4.298 4.320 -0.000 0.000 0.217 707 A C 1.948 179.536 177.584 0.006 0.000 1.153 707 A CA 1.717 53.769 52.037 0.026 0.000 0.692 707 A CB -0.309 18.696 19.000 0.008 0.000 0.799 707 A HN 0.446 nan 8.150 nan 0.000 0.458 708 K N -0.207 120.191 120.400 -0.004 0.000 2.439 708 K HA -0.048 4.272 4.320 -0.000 0.000 0.197 708 K C -0.115 176.296 176.600 -0.316 0.000 1.041 708 K CA 0.760 56.963 56.287 -0.140 0.000 0.970 708 K CB -0.068 32.335 32.500 -0.161 0.000 0.773 708 K HN 0.638 nan 8.250 nan 0.000 0.479 709 H N -0.418 118.645 119.070 -0.011 0.000 2.348 709 H HA 0.140 4.696 4.556 -0.000 0.000 0.232 709 H C -2.157 173.172 175.328 0.001 0.000 1.419 709 H CA -1.650 54.394 56.048 -0.007 0.000 1.416 709 H CB 1.201 30.957 29.762 -0.011 0.000 1.510 709 H HN 0.111 nan 8.280 nan 0.000 0.507 710 P HA -0.095 nan 4.420 nan 0.000 0.233 710 P C 1.044 178.374 177.300 0.051 0.000 1.167 710 P CA 0.751 63.881 63.100 0.049 0.000 0.770 710 P CB 0.394 32.106 31.700 0.019 0.000 0.837 711 D N -1.440 118.996 120.400 0.060 0.000 2.323 711 D HA -0.061 4.579 4.640 -0.000 0.000 0.209 711 D C 1.638 177.973 176.300 0.057 0.000 0.973 711 D CA 0.598 54.629 54.000 0.051 0.000 0.874 711 D CB -0.149 40.679 40.800 0.046 0.000 0.930 711 D HN 0.126 nan 8.370 nan 0.000 0.521 712 M N -0.081 119.566 119.600 0.078 0.000 2.925 712 M HA 0.286 4.766 4.480 -0.000 0.000 0.249 712 M C -0.145 176.197 176.300 0.069 0.000 1.439 712 M CA 0.636 55.970 55.300 0.057 0.000 1.217 712 M CB 0.524 33.143 32.600 0.031 0.000 1.245 712 M HN -0.155 nan 8.290 nan 0.000 0.552 713 L N -0.543 120.733 121.223 0.089 0.000 2.334 713 L HA 0.666 5.006 4.340 -0.000 0.000 0.273 713 L C -0.197 176.724 176.870 0.084 0.000 1.013 713 L CA -0.640 54.271 54.840 0.118 0.000 0.816 713 L CB 1.853 43.990 42.059 0.131 0.000 1.278 713 L HN -0.020 nan 8.230 nan 0.000 0.431 714 T N -0.870 113.725 114.554 0.068 0.000 2.909 714 T HA 0.368 4.718 4.350 -0.000 0.000 0.299 714 T C 0.084 174.787 174.700 0.004 0.000 1.073 714 T CA 0.064 62.183 62.100 0.033 0.000 0.999 714 T CB 1.282 70.165 68.868 0.024 0.000 1.098 714 T HN 0.897 nan 8.240 nan 0.000 0.477 715 S N 1.449 117.154 115.700 0.007 0.000 3.367 715 S HA -0.161 4.309 4.470 -0.000 0.000 0.375 715 S C 0.279 174.861 174.600 -0.031 0.000 0.962 715 S CA 0.559 58.759 58.200 -0.000 0.000 1.229 715 S CB -2.720 60.488 63.200 0.012 0.000 0.905 715 S HN 1.676 nan 8.310 nan 0.000 0.482 716 V N 1.492 121.395 119.914 -0.018 0.000 2.455 716 V HA 0.740 4.860 4.120 -0.000 0.000 0.273 716 V C 0.101 176.186 176.094 -0.015 0.000 1.045 716 V CA -0.077 62.206 62.300 -0.028 0.000 0.976 716 V CB 0.404 32.258 31.823 0.052 0.000 0.993 716 V HN 0.894 nan 8.190 nan 0.000 0.475 717 R N 6.042 126.526 120.500 -0.028 0.000 2.739 717 R HA 0.739 5.079 4.340 -0.000 0.000 0.271 717 R C -3.107 173.193 176.300 -0.001 0.000 1.010 717 R CA -2.061 54.034 56.100 -0.010 0.000 0.897 717 R CB 0.760 31.055 30.300 -0.008 0.000 1.236 717 R HN 0.419 nan 8.270 nan 0.000 0.466 718 P HA 0.154 nan 4.420 nan 0.000 0.284 718 P C -0.585 176.724 177.300 0.015 0.000 1.253 718 P CA -0.376 62.738 63.100 0.024 0.000 0.800 718 P CB 1.124 32.840 31.700 0.028 0.000 0.961 719 N N 1.644 120.355 118.700 0.018 0.000 2.409 719 N HA -0.035 4.705 4.740 -0.000 0.000 0.179 719 N C 1.239 176.762 175.510 0.021 0.000 1.032 719 N CA 0.723 53.778 53.050 0.008 0.000 0.898 719 N CB -0.343 38.149 38.487 0.009 0.000 0.971 719 N HN 0.546 nan 8.380 nan 0.000 0.441 720 G N -0.240 108.582 108.800 0.036 0.000 2.546 720 G HA2 0.413 4.373 3.960 -0.000 0.000 0.239 720 G HA3 0.413 4.373 3.960 -0.000 0.000 0.239 720 G C -0.732 174.198 174.900 0.051 0.000 1.476 720 G CA -0.249 44.880 45.100 0.049 0.000 1.064 720 G HN 0.122 nan 8.290 nan 0.000 0.561 721 L N -0.854 120.409 121.223 0.068 0.000 2.333 721 L HA 0.540 4.880 4.340 -0.000 0.000 0.269 721 L C -0.199 176.728 176.870 0.095 0.000 1.010 721 L CA -0.976 53.907 54.840 0.072 0.000 0.818 721 L CB 1.826 43.926 42.059 0.069 0.000 1.306 721 L HN 0.356 nan 8.230 nan 0.000 0.430 722 E N 0.935 121.191 120.200 0.092 0.000 2.349 722 E HA 0.200 4.550 4.350 -0.000 0.000 0.265 722 E C -0.931 175.762 176.600 0.154 0.000 1.064 722 E CA -0.385 56.081 56.400 0.110 0.000 0.886 722 E CB 0.425 30.180 29.700 0.091 0.000 1.036 722 E HN 0.303 nan 8.360 nan 0.000 0.413 723 D N 1.064 121.582 120.400 0.197 0.000 2.455 723 D HA 0.098 4.738 4.640 -0.000 0.000 0.241 723 D C -0.123 176.402 176.300 0.375 0.000 1.138 723 D CA 0.436 54.601 54.000 0.275 0.000 0.877 723 D CB 0.469 41.450 40.800 0.302 0.000 1.187 723 D HN 0.383 nan 8.370 nan 0.000 0.451 724 T N -1.083 113.643 114.554 0.287 0.000 2.907 724 T HA 0.594 4.944 4.350 -0.000 0.000 0.292 724 T C -2.867 171.783 174.700 -0.082 0.000 1.043 724 T CA -2.425 59.763 62.100 0.146 0.000 1.003 724 T CB 1.990 70.912 68.868 0.090 0.000 1.084 724 T HN -0.108 nan 8.240 nan 0.000 0.483 725 P HA 0.189 nan 4.420 nan 0.000 0.266 725 P C -0.817 176.571 177.300 0.147 0.000 1.193 725 P CA -0.015 62.918 63.100 -0.279 0.000 0.770 725 P CB 0.179 31.715 31.700 -0.273 0.000 0.836 726 Q N 1.239 121.177 119.800 0.231 0.000 2.340 726 Q HA 0.512 4.852 4.340 -0.000 0.000 0.276 726 Q C -1.543 174.363 176.000 -0.156 0.000 1.048 726 Q CA -0.836 55.022 55.803 0.091 0.000 0.832 726 Q CB 1.206 29.949 28.738 0.008 0.000 1.373 726 Q HN 0.189 nan 8.270 nan 0.000 0.409 727 F N 2.305 121.832 119.950 -0.706 0.000 2.424 727 F HA 0.456 4.983 4.527 0.000 0.000 0.356 727 F C -0.429 175.022 175.800 -0.581 0.000 1.110 727 F CA -0.227 57.119 58.000 -1.090 0.000 1.161 727 F CB 1.078 39.326 39.000 -1.253 0.000 1.115 727 F HN 0.577 nan 8.300 nan 0.000 0.507 728 K N 7.274 127.099 120.400 -0.958 0.000 2.358 728 K HA 0.537 4.857 4.320 -0.000 0.000 0.260 728 K C -1.506 174.682 176.600 -0.687 0.000 0.956 728 K CA -0.298 55.626 56.287 -0.604 0.000 0.834 728 K CB 0.647 32.931 32.500 -0.359 0.000 1.102 728 K HN 0.652 nan 8.250 nan 0.000 0.431 729 I N 3.344 123.632 120.570 -0.470 0.000 2.336 729 I HA 0.241 4.411 4.170 -0.000 0.000 0.292 729 I C -0.597 175.416 176.117 -0.173 0.000 0.991 729 I CA -0.744 60.357 61.300 -0.332 0.000 1.227 729 I CB 1.685 39.542 38.000 -0.238 0.000 1.366 729 I HN 0.645 nan 8.210 nan 0.000 0.466 730 D N 6.608 126.935 120.400 -0.122 0.000 2.349 730 D HA 0.354 4.994 4.640 -0.000 0.000 0.232 730 D C -0.436 175.877 176.300 0.023 0.000 1.071 730 D CA -0.368 53.601 54.000 -0.052 0.000 0.832 730 D CB 1.223 41.989 40.800 -0.057 0.000 1.086 730 D HN 0.177 nan 8.370 nan 0.000 0.504 731 I N 2.521 123.121 120.570 0.050 0.000 2.363 731 I HA 0.084 4.254 4.170 -0.000 0.000 0.292 731 I C 0.464 176.619 176.117 0.063 0.000 1.075 731 I CA -0.359 61.004 61.300 0.106 0.000 1.333 731 I CB 0.460 38.503 38.000 0.071 0.000 1.415 731 I HN 0.384 nan 8.210 nan 0.000 0.502 732 D N 7.002 127.456 120.400 0.090 0.000 2.348 732 D HA 0.012 4.652 4.640 -0.000 0.000 0.259 732 D C 1.200 177.522 176.300 0.036 0.000 1.296 732 D CA -0.020 54.013 54.000 0.055 0.000 0.931 732 D CB 0.985 41.822 40.800 0.062 0.000 1.067 732 D HN 0.352 nan 8.370 nan 0.000 0.503 733 Q N 2.921 122.724 119.800 0.006 0.000 2.096 733 Q HA -0.205 4.135 4.340 -0.000 0.000 0.204 733 Q C 1.528 177.520 176.000 -0.013 0.000 0.982 733 Q CA 1.130 56.923 55.803 -0.018 0.000 0.850 733 Q CB -0.004 28.722 28.738 -0.019 0.000 0.901 733 Q HN 0.702 nan 8.270 nan 0.000 0.422 734 E N 0.925 121.126 120.200 0.001 0.000 2.077 734 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 734 E C 1.803 178.411 176.600 0.013 0.000 0.989 734 E CA 0.988 57.391 56.400 0.005 0.000 0.800 734 E CB 0.193 29.898 29.700 0.008 0.000 0.746 734 E HN 0.231 nan 8.360 nan 0.000 0.452 735 K N -0.142 120.277 120.400 0.032 0.000 2.155 735 K HA -0.061 4.259 4.320 -0.000 0.000 0.203 735 K C 2.087 178.724 176.600 0.062 0.000 1.052 735 K CA 0.788 57.109 56.287 0.057 0.000 0.948 735 K CB -0.018 32.534 32.500 0.086 0.000 0.728 735 K HN 0.096 nan 8.250 nan 0.000 0.448 736 A N 1.597 124.431 122.820 0.024 0.000 1.858 736 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 736 A C 2.089 179.627 177.584 -0.075 0.000 1.190 736 A CA 1.305 53.292 52.037 -0.083 0.000 0.617 736 A CB -0.496 18.382 19.000 -0.203 0.000 0.827 736 A HN 0.263 nan 8.150 nan 0.000 0.443 737 Q N -0.732 119.038 119.800 -0.051 0.000 2.061 737 Q HA -0.188 4.152 4.340 -0.000 0.000 0.204 737 Q C 2.460 178.448 176.000 -0.020 0.000 0.984 737 Q CA 1.613 57.392 55.803 -0.039 0.000 0.846 737 Q CB -0.398 28.324 28.738 -0.026 0.000 0.902 737 Q HN 0.691 nan 8.270 nan 0.000 0.421 738 A N 0.688 123.506 122.820 -0.004 0.000 1.902 738 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 738 A C 2.005 179.598 177.584 0.014 0.000 1.181 738 A CA 1.127 53.168 52.037 0.008 0.000 0.623 738 A CB -0.624 18.386 19.000 0.016 0.000 0.818 738 A HN 0.307 nan 8.150 nan 0.000 0.443 739 L N -1.371 119.866 121.223 0.024 0.000 2.376 739 L HA 0.095 4.435 4.340 -0.000 0.000 0.219 739 L C 1.678 178.559 176.870 0.019 0.000 1.133 739 L CA 0.679 55.543 54.840 0.039 0.000 0.816 739 L CB -0.318 41.792 42.059 0.086 0.000 0.933 739 L HN 0.630 nan 8.230 nan 0.000 0.449 740 G N 0.416 109.211 108.800 -0.009 0.000 2.130 740 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.216 740 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.216 740 G C 0.143 175.017 174.900 -0.043 0.000 0.999 740 G CA 0.004 45.093 45.100 -0.020 0.000 0.686 740 G HN 0.203 nan 8.290 nan 0.000 0.515 741 V N -1.396 118.464 119.914 -0.091 0.000 2.481 741 V HA 0.845 4.965 4.120 -0.000 0.000 0.286 741 V C 0.931 176.920 176.094 -0.175 0.000 1.042 741 V CA -0.283 61.924 62.300 -0.154 0.000 0.928 741 V CB 1.616 33.260 31.823 -0.298 0.000 0.986 741 V HN 1.103 nan 8.190 nan 0.000 0.462 742 S N 2.950 118.567 115.700 -0.137 0.000 2.525 742 S HA 0.223 4.693 4.470 -0.000 0.000 0.285 742 S C 0.918 175.420 174.600 -0.162 0.000 1.283 742 S CA -0.373 57.758 58.200 -0.115 0.000 1.072 742 S CB -0.075 63.083 63.200 -0.070 0.000 0.867 742 S HN 0.629 nan 8.310 nan 0.000 0.492 743 I N 5.256 125.743 120.570 -0.138 0.000 2.361 743 I HA -0.130 4.040 4.170 -0.000 0.000 0.251 743 I C 1.898 177.958 176.117 -0.095 0.000 1.133 743 I CA 1.295 62.511 61.300 -0.140 0.000 1.413 743 I CB -0.503 37.439 38.000 -0.097 0.000 1.073 743 I HN 0.635 nan 8.210 nan 0.000 0.424 744 N N 0.412 119.074 118.700 -0.062 0.000 2.171 744 N HA -0.140 4.600 4.740 -0.000 0.000 0.184 744 N C 1.395 176.894 175.510 -0.019 0.000 1.021 744 N CA 1.052 54.085 53.050 -0.028 0.000 0.854 744 N CB -0.225 38.252 38.487 -0.016 0.000 0.994 744 N HN 0.236 nan 8.380 nan 0.000 0.426 745 D N 0.604 120.982 120.400 -0.038 0.000 2.144 745 D HA -0.063 4.577 4.640 -0.000 0.000 0.199 745 D C 1.797 178.086 176.300 -0.019 0.000 0.984 745 D CA 0.671 54.660 54.000 -0.017 0.000 0.834 745 D CB -0.171 40.612 40.800 -0.029 0.000 0.955 745 D HN 0.295 nan 8.370 nan 0.000 0.465 746 I N 0.700 121.200 120.570 -0.116 0.000 2.226 746 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 746 I C 1.832 177.997 176.117 0.080 0.000 1.100 746 I CA 0.825 62.043 61.300 -0.137 0.000 1.374 746 I CB -0.140 37.625 38.000 -0.392 0.000 1.057 746 I HN -0.032 nan 8.210 nan 0.000 0.413 747 N N 0.035 118.757 118.700 0.038 0.000 2.354 747 N HA -0.104 4.636 4.740 -0.000 0.000 0.179 747 N C 1.918 177.477 175.510 0.082 0.000 1.021 747 N CA 1.802 54.892 53.050 0.068 0.000 0.887 747 N CB -0.190 38.317 38.487 0.032 0.000 0.974 747 N HN 0.447 nan 8.380 nan 0.000 0.437 748 T N -2.426 112.174 114.554 0.077 0.000 3.037 748 T HA -0.005 4.345 4.350 -0.000 0.000 0.252 748 T C 1.936 176.692 174.700 0.094 0.000 1.073 748 T CA 1.209 63.356 62.100 0.079 0.000 1.091 748 T CB -0.390 68.515 68.868 0.062 0.000 0.935 748 T HN 0.190 nan 8.240 nan 0.000 0.488 749 T N 1.398 116.033 114.554 0.135 0.000 2.737 749 T HA -0.025 4.325 4.350 -0.000 0.000 0.265 749 T C 1.824 176.583 174.700 0.099 0.000 1.038 749 T CA 1.178 63.377 62.100 0.165 0.000 1.144 749 T CB -0.820 68.226 68.868 0.296 0.000 0.866 749 T HN 0.256 nan 8.240 nan 0.000 0.434 750 L N 2.415 123.752 121.223 0.190 0.000 1.994 750 L HA 0.199 4.539 4.340 -0.000 0.000 0.208 750 L C 2.734 179.624 176.870 0.033 0.000 1.071 750 L CA 2.302 57.163 54.840 0.035 0.000 0.745 750 L CB -1.379 40.690 42.059 0.017 0.000 0.892 750 L HN 0.361 nan 8.230 nan 0.000 0.431 751 G N -0.840 107.992 108.800 0.054 0.000 2.586 751 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.218 751 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.218 751 G C 1.613 176.558 174.900 0.075 0.000 1.216 751 G CA 1.410 46.550 45.100 0.065 0.000 0.786 751 G HN 0.711 nan 8.290 nan 0.000 0.583 752 A N 0.970 123.825 122.820 0.058 0.000 1.908 752 A HA 0.169 4.489 4.320 -0.000 0.000 0.218 752 A C 2.829 180.411 177.584 -0.004 0.000 1.181 752 A CA 2.724 54.791 52.037 0.049 0.000 0.627 752 A CB -0.866 18.163 19.000 0.047 0.000 0.818 752 A HN 0.931 nan 8.150 nan 0.000 0.445 753 A N -1.583 121.159 122.820 -0.130 0.000 1.841 753 A HA -0.067 4.253 4.320 -0.000 0.000 0.214 753 A C 1.891 179.347 177.584 -0.213 0.000 1.195 753 A CA 1.423 53.245 52.037 -0.357 0.000 0.611 753 A CB -0.843 17.472 19.000 -1.141 0.000 0.835 753 A HN 0.712 nan 8.150 nan 0.000 0.443 754 W N -0.911 120.249 121.300 -0.234 0.000 2.863 754 W HA 0.308 4.968 4.660 0.000 0.000 0.258 754 W C 2.156 178.651 176.519 -0.040 0.000 1.298 754 W CA 0.668 57.939 57.345 -0.124 0.000 1.451 754 W CB -0.039 29.323 29.460 -0.164 0.000 1.107 754 W HN 0.394 nan 8.180 nan 0.000 0.641 755 G N -1.096 107.807 108.800 0.172 0.000 2.728 755 G HA2 0.445 4.405 3.960 -0.000 0.000 0.203 755 G HA3 0.445 4.405 3.960 -0.000 0.000 0.203 755 G C 0.598 175.578 174.900 0.134 0.000 1.073 755 G CA 0.325 45.508 45.100 0.138 0.000 0.778 755 G HN 0.349 nan 8.290 nan 0.000 0.553 756 G N -1.028 107.849 108.800 0.129 0.000 2.692 756 G HA2 0.300 4.260 3.960 -0.000 0.000 0.686 756 G HA3 0.300 4.260 3.960 -0.000 0.000 0.686 756 G C -0.596 174.427 174.900 0.206 0.000 1.243 756 G CA 0.060 45.253 45.100 0.155 0.000 0.782 756 G HN 1.113 nan 8.290 nan 0.000 0.625 757 S N -0.249 115.597 115.700 0.244 0.000 2.668 757 S HA 0.530 5.000 4.470 -0.000 0.000 0.277 757 S C -0.769 173.964 174.600 0.223 0.000 1.170 757 S CA -0.538 57.794 58.200 0.221 0.000 0.994 757 S CB 0.911 64.183 63.200 0.120 0.000 1.051 757 S HN 1.648 nan 8.310 nan 0.000 0.484 758 Y N 6.246 126.542 120.300 -0.006 0.000 2.531 758 Y HA 0.393 4.943 4.550 0.000 0.000 0.347 758 Y C 0.507 176.274 175.900 -0.222 0.000 1.024 758 Y CA -0.008 57.852 58.100 -0.400 0.000 1.306 758 Y CB 0.192 38.380 38.460 -0.452 0.000 1.149 758 Y HN 0.423 nan 8.280 nan 0.000 0.527 759 V N 5.482 125.229 119.914 -0.278 0.000 2.490 759 V HA 0.129 4.249 4.120 -0.000 0.000 0.238 759 V C 0.453 176.321 176.094 -0.375 0.000 1.056 759 V CA 0.810 62.949 62.300 -0.269 0.000 1.075 759 V CB -0.341 31.423 31.823 -0.098 0.000 0.746 759 V HN 0.755 nan 8.190 nan 0.000 0.479 760 N N -1.318 117.240 118.700 -0.236 0.000 2.972 760 N HA 0.360 5.100 4.740 -0.000 0.000 0.262 760 N C -1.833 173.753 175.510 0.127 0.000 1.478 760 N CA -0.774 52.226 53.050 -0.083 0.000 0.841 760 N CB 2.129 40.652 38.487 0.059 0.000 1.512 760 N HN 0.107 nan 8.380 nan 0.000 0.548 761 D N 0.305 120.812 120.400 0.177 0.000 2.272 761 D HA 0.482 5.122 4.640 -0.000 0.000 0.247 761 D C -1.001 175.534 176.300 0.393 0.000 0.990 761 D CA -0.080 54.092 54.000 0.286 0.000 0.931 761 D CB 1.544 42.452 40.800 0.181 0.000 1.195 761 D HN 0.369 nan 8.370 nan 0.000 0.477 762 F N -1.724 118.316 119.950 0.150 0.000 2.706 762 F HA 0.670 5.196 4.527 -0.000 0.000 0.328 762 F C -1.176 174.699 175.800 0.124 0.000 1.123 762 F CA -1.201 56.909 58.000 0.183 0.000 0.978 762 F CB 1.185 40.399 39.000 0.356 0.000 1.404 762 F HN 0.072 nan 8.300 nan 0.000 0.497 763 I N 1.674 122.134 120.570 -0.183 0.000 2.405 763 I HA 0.223 4.393 4.170 -0.000 0.000 0.280 763 I C -1.474 174.445 176.117 -0.331 0.000 1.027 763 I CA -0.353 60.770 61.300 -0.294 0.000 1.161 763 I CB 1.147 39.094 38.000 -0.088 0.000 1.300 763 I HN 0.562 nan 8.210 nan 0.000 0.463 764 D N 6.850 126.924 120.400 -0.545 0.000 2.380 764 D HA 0.267 4.907 4.640 -0.000 0.000 0.230 764 D C 0.239 176.494 176.300 -0.074 0.000 1.154 764 D CA -0.214 53.638 54.000 -0.247 0.000 0.859 764 D CB 0.459 41.115 40.800 -0.240 0.000 1.045 764 D HN 0.383 nan 8.370 nan 0.000 0.495 765 R N 3.350 123.850 120.500 -0.000 0.000 3.251 765 R HA -0.181 4.159 4.340 -0.000 0.000 0.249 765 R C 0.876 177.167 176.300 -0.017 0.000 0.949 765 R CA 0.507 56.616 56.100 0.016 0.000 0.645 765 R CB -1.954 28.374 30.300 0.047 0.000 1.065 765 R HN 0.890 nan 8.270 nan 0.000 0.452 766 G N -0.001 108.779 108.800 -0.033 0.000 2.221 766 G HA2 -0.358 3.601 3.960 -0.000 0.000 0.265 766 G HA3 -0.358 3.601 3.960 -0.000 0.000 0.265 766 G C -0.069 174.794 174.900 -0.061 0.000 1.041 766 G CA 0.544 45.620 45.100 -0.041 0.000 0.807 766 G HN 0.486 nan 8.290 nan 0.000 0.502 767 R N -1.110 119.332 120.500 -0.097 0.000 2.548 767 R HA 0.472 4.812 4.340 -0.000 0.000 0.280 767 R C -0.454 175.741 176.300 -0.175 0.000 1.061 767 R CA -0.788 55.246 56.100 -0.110 0.000 0.915 767 R CB 2.468 32.713 30.300 -0.092 0.000 1.210 767 R HN 0.344 nan 8.270 nan 0.000 0.442 768 V N 4.442 124.279 119.914 -0.127 0.000 2.470 768 V HA 0.272 4.392 4.120 -0.000 0.000 0.276 768 V C -0.687 175.333 176.094 -0.123 0.000 1.040 768 V CA 0.549 62.773 62.300 -0.128 0.000 1.008 768 V CB 0.286 32.081 31.823 -0.048 0.000 0.990 768 V HN 0.646 nan 8.190 nan 0.000 0.477 769 K N 5.556 125.842 120.400 -0.190 0.000 2.477 769 K HA 0.554 4.874 4.320 -0.000 0.000 0.255 769 K C -0.933 175.793 176.600 0.210 0.000 0.952 769 K CA -1.000 55.264 56.287 -0.038 0.000 0.826 769 K CB 2.582 35.035 32.500 -0.079 0.000 1.331 769 K HN 0.546 nan 8.250 nan 0.000 0.437 770 K N 0.796 121.320 120.400 0.206 0.000 2.180 770 K HA 0.306 4.626 4.320 -0.000 0.000 0.251 770 K C -0.451 176.287 176.600 0.229 0.000 1.014 770 K CA -0.482 55.903 56.287 0.163 0.000 0.913 770 K CB 0.838 33.186 32.500 -0.254 0.000 1.008 770 K HN 0.176 nan 8.250 nan 0.000 0.490 771 V N 2.767 122.751 119.914 0.117 0.000 2.444 771 V HA 0.256 4.376 4.120 -0.000 0.000 0.294 771 V C -1.275 174.733 176.094 -0.143 0.000 1.022 771 V CA -0.843 61.405 62.300 -0.087 0.000 0.850 771 V CB 0.550 32.303 31.823 -0.117 0.000 0.992 771 V HN 0.560 nan 8.190 nan 0.000 0.426 772 Y N 2.797 123.040 120.300 -0.096 0.000 2.377 772 Y HA 0.650 5.200 4.550 -0.000 0.000 0.339 772 Y C 0.044 175.821 175.900 -0.205 0.000 1.011 772 Y CA -0.688 57.359 58.100 -0.088 0.000 1.093 772 Y CB 2.206 40.595 38.460 -0.118 0.000 1.201 772 Y HN 0.412 nan 8.280 nan 0.000 0.455 773 V N 5.885 125.819 119.914 0.035 0.000 2.459 773 V HA 0.634 4.754 4.120 -0.000 0.000 0.295 773 V C -0.667 175.432 176.094 0.007 0.000 1.029 773 V CA -0.487 61.795 62.300 -0.031 0.000 0.874 773 V CB 1.324 33.149 31.823 0.003 0.000 0.985 773 V HN 0.906 nan 8.190 nan 0.000 0.438 774 M N 4.283 123.864 119.600 -0.032 0.000 2.682 774 M HA 0.420 4.900 4.480 -0.000 0.000 0.272 774 M C -0.538 175.882 176.300 0.200 0.000 1.232 774 M CA -0.427 54.913 55.300 0.068 0.000 0.849 774 M CB 2.432 35.083 32.600 0.084 0.000 1.695 774 M HN 0.642 nan 8.290 nan 0.000 0.481 775 S N 1.218 117.030 115.700 0.186 0.000 2.572 775 S HA 0.121 4.591 4.470 -0.000 0.000 0.279 775 S C -0.274 174.580 174.600 0.423 0.000 1.341 775 S CA -0.094 58.290 58.200 0.306 0.000 1.043 775 S CB 0.603 63.889 63.200 0.144 0.000 0.887 775 S HN 0.708 nan 8.310 nan 0.000 0.516 776 E N 2.352 122.818 120.200 0.442 0.000 2.415 776 E HA 0.294 4.643 4.350 -0.000 0.000 0.262 776 E C 1.375 178.001 176.600 0.043 0.000 1.038 776 E CA 0.232 56.786 56.400 0.258 0.000 0.921 776 E CB 0.648 30.540 29.700 0.321 0.000 0.950 776 E HN 0.794 nan 8.360 nan 0.000 0.438 777 A N 5.442 128.113 122.820 -0.248 0.000 1.896 777 A HA -0.325 3.995 4.320 -0.000 0.000 0.220 777 A C 1.829 179.257 177.584 -0.260 0.000 1.206 777 A CA 2.526 54.390 52.037 -0.289 0.000 0.647 777 A CB -0.721 18.050 19.000 -0.382 0.000 0.828 777 A HN 0.820 nan 8.150 nan 0.000 0.455 778 K N -1.679 118.513 120.400 -0.347 0.000 2.280 778 K HA -0.144 4.176 4.320 -0.000 0.000 0.202 778 K C 0.951 177.256 176.600 -0.491 0.000 1.047 778 K CA 1.626 57.630 56.287 -0.473 0.000 0.942 778 K CB -0.436 31.685 32.500 -0.631 0.000 0.739 778 K HN 0.620 nan 8.250 nan 0.000 0.457 779 Y N 1.881 122.110 120.300 -0.119 0.000 2.493 779 Y HA 0.197 4.747 4.550 -0.000 0.000 0.275 779 Y C 0.422 176.170 175.900 -0.254 0.000 1.183 779 Y CA -0.581 57.469 58.100 -0.084 0.000 1.258 779 Y CB 0.328 38.779 38.460 -0.015 0.000 1.108 779 Y HN 0.133 nan 8.280 nan 0.000 0.521 780 R N -2.017 118.220 120.500 -0.438 0.000 2.583 780 R HA 0.299 4.639 4.340 -0.000 0.000 0.329 780 R C -0.163 175.816 176.300 -0.533 0.000 1.166 780 R CA -0.027 55.337 56.100 -1.227 0.000 1.264 780 R CB -0.283 29.276 30.300 -1.234 0.000 1.324 780 R HN 0.073 nan 8.270 nan 0.000 0.684 781 M N 0.215 119.699 119.600 -0.194 0.000 2.940 781 M HA 0.340 4.820 4.480 -0.000 0.000 0.248 781 M C 0.505 176.883 176.300 0.131 0.000 1.379 781 M CA 0.688 55.980 55.300 -0.012 0.000 1.262 781 M CB -0.213 32.349 32.600 -0.064 0.000 1.201 781 M HN 0.201 nan 8.290 nan 0.000 0.553 782 L N -0.368 120.941 121.223 0.142 0.000 2.322 782 L HA 0.316 4.656 4.340 -0.000 0.000 0.269 782 L C -1.572 175.364 176.870 0.110 0.000 1.012 782 L CA -1.859 53.043 54.840 0.103 0.000 0.815 782 L CB 0.831 42.919 42.059 0.049 0.000 1.295 782 L HN -0.068 nan 8.230 nan 0.000 0.438 783 P HA -0.153 nan 4.420 nan 0.000 0.220 783 P C 0.469 177.729 177.300 -0.068 0.000 1.144 783 P CA 1.025 63.880 63.100 -0.407 0.000 0.800 783 P CB 0.146 31.420 31.700 -0.711 0.000 0.772 784 D N -0.441 119.979 120.400 0.034 0.000 2.190 784 D HA -0.158 4.482 4.640 -0.000 0.000 0.200 784 D C 1.202 177.592 176.300 0.150 0.000 0.992 784 D CA 1.131 55.179 54.000 0.081 0.000 0.854 784 D CB -0.681 40.158 40.800 0.066 0.000 0.936 784 D HN 0.265 nan 8.370 nan 0.000 0.462 785 D N 0.115 120.676 120.400 0.268 0.000 2.371 785 D HA -0.050 4.590 4.640 -0.000 0.000 0.221 785 D C 2.040 178.687 176.300 0.578 0.000 0.986 785 D CA -0.004 54.228 54.000 0.387 0.000 0.899 785 D CB 0.151 41.181 40.800 0.384 0.000 0.902 785 D HN 0.256 nan 8.370 nan 0.000 0.530 786 I N 1.119 121.947 120.570 0.430 0.000 2.286 786 I HA -0.142 4.028 4.170 -0.000 0.000 0.248 786 I C 2.520 178.771 176.117 0.223 0.000 1.115 786 I CA 0.975 62.435 61.300 0.268 0.000 1.392 786 I CB -1.428 36.518 38.000 -0.091 0.000 1.065 786 I HN 0.007 nan 8.210 nan 0.000 0.418 787 G N 0.796 109.680 108.800 0.139 0.000 2.462 787 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.220 787 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.220 787 G C 1.279 176.190 174.900 0.019 0.000 1.121 787 G CA 0.586 45.714 45.100 0.047 0.000 0.758 787 G HN 0.349 nan 8.290 nan 0.000 0.559 788 D N -0.213 120.222 120.400 0.058 0.000 2.218 788 D HA -0.042 4.598 4.640 -0.000 0.000 0.204 788 D C 0.270 176.444 176.300 -0.210 0.000 0.976 788 D CA 0.508 54.429 54.000 -0.132 0.000 0.853 788 D CB 0.015 40.594 40.800 -0.369 0.000 0.939 788 D HN 0.441 nan 8.370 nan 0.000 0.481 789 W N 0.333 121.745 121.300 0.186 0.000 2.361 789 W HA 0.359 5.019 4.660 -0.000 0.000 0.309 789 W C -0.382 176.289 176.519 0.254 0.000 1.122 789 W CA -0.702 56.831 57.345 0.313 0.000 1.208 789 W CB 0.367 30.051 29.460 0.374 0.000 1.246 789 W HN -0.206 nan 8.180 nan 0.000 0.490 790 Y N 1.792 122.374 120.300 0.470 0.000 2.429 790 Y HA 0.587 5.137 4.550 -0.000 0.000 0.342 790 Y C -0.118 175.955 175.900 0.288 0.000 1.004 790 Y CA -1.322 56.961 58.100 0.305 0.000 1.075 790 Y CB 1.641 40.194 38.460 0.156 0.000 1.214 790 Y HN -0.043 nan 8.280 nan 0.000 0.455 791 V N 3.909 124.017 119.914 0.324 0.000 2.417 791 V HA 0.408 4.528 4.120 -0.000 0.000 0.291 791 V C -0.202 175.988 176.094 0.160 0.000 1.024 791 V CA -1.119 61.298 62.300 0.195 0.000 0.861 791 V CB 1.511 33.350 31.823 0.027 0.000 0.985 791 V HN 0.670 nan 8.190 nan 0.000 0.436 792 R N 3.412 123.987 120.500 0.125 0.000 2.347 792 R HA 0.575 4.915 4.340 -0.000 0.000 0.304 792 R C 0.210 176.538 176.300 0.047 0.000 1.072 792 R CA 0.076 56.231 56.100 0.092 0.000 0.980 792 R CB 0.681 31.030 30.300 0.082 0.000 0.986 792 R HN 0.890 nan 8.270 nan 0.000 0.448 793 A N 3.442 126.289 122.820 0.046 0.000 2.246 793 A HA 0.502 4.822 4.320 -0.000 0.000 0.291 793 A C 1.089 178.681 177.584 0.014 0.000 1.103 793 A CA 0.097 52.145 52.037 0.019 0.000 0.844 793 A CB 0.655 19.673 19.000 0.030 0.000 1.136 793 A HN 0.956 nan 8.150 nan 0.000 0.500 794 A N 0.200 123.021 122.820 0.002 0.000 1.908 794 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 794 A C 1.372 178.962 177.584 0.009 0.000 1.181 794 A CA 2.156 54.194 52.037 0.002 0.000 0.627 794 A CB -0.736 18.262 19.000 -0.004 0.000 0.818 794 A HN 0.872 nan 8.150 nan 0.000 0.445 795 D N -2.281 118.127 120.400 0.013 0.000 2.363 795 D HA 0.279 4.919 4.640 -0.000 0.000 0.226 795 D C 1.203 177.514 176.300 0.019 0.000 1.020 795 D CA 1.191 55.200 54.000 0.015 0.000 0.892 795 D CB -0.350 40.460 40.800 0.016 0.000 0.900 795 D HN 0.766 nan 8.370 nan 0.000 0.531 796 G N 0.533 109.348 108.800 0.024 0.000 2.397 796 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.211 796 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.211 796 G C 0.239 175.160 174.900 0.035 0.000 1.077 796 G CA 0.039 45.155 45.100 0.028 0.000 0.649 796 G HN 0.657 nan 8.290 nan 0.000 0.511 797 Q N 1.721 121.543 119.800 0.037 0.000 2.394 797 Q HA 0.669 5.009 4.340 -0.000 0.000 0.248 797 Q C 0.310 176.352 176.000 0.070 0.000 0.992 797 Q CA -0.305 55.523 55.803 0.043 0.000 0.888 797 Q CB 0.640 29.401 28.738 0.039 0.000 1.257 797 Q HN 0.258 nan 8.270 nan 0.000 0.462 798 M N 1.765 121.412 119.600 0.078 0.000 2.250 798 M HA 0.387 4.867 4.480 -0.000 0.000 0.344 798 M C -0.760 175.683 176.300 0.239 0.000 1.150 798 M CA -0.695 54.694 55.300 0.148 0.000 1.147 798 M CB 1.276 33.927 32.600 0.084 0.000 1.498 798 M HN 0.579 nan 8.290 nan 0.000 0.461 799 V N 4.182 124.293 119.914 0.328 0.000 2.569 799 V HA 0.420 4.540 4.120 -0.000 0.000 0.301 799 V C -2.258 173.938 176.094 0.171 0.000 1.044 799 V CA -1.426 61.041 62.300 0.279 0.000 0.874 799 V CB 2.191 34.163 31.823 0.249 0.000 1.002 799 V HN 0.676 nan 8.190 nan 0.000 0.424 800 P HA 0.266 nan 4.420 nan 0.000 0.274 800 P C 0.573 177.487 177.300 -0.643 0.000 1.237 800 P CA -0.168 62.630 63.100 -0.503 0.000 0.793 800 P CB 1.039 32.474 31.700 -0.441 0.000 0.977 801 F N 0.535 120.091 119.950 -0.657 0.000 2.234 801 F HA -0.192 4.335 4.527 -0.000 0.000 0.299 801 F C 2.739 178.051 175.800 -0.812 0.000 1.087 801 F CA 2.150 59.580 58.000 -0.950 0.000 1.340 801 F CB -0.703 38.110 39.000 -0.313 0.000 1.031 801 F HN 0.308 nan 8.300 nan 0.000 0.500 802 S N 0.105 115.629 115.700 -0.295 0.000 2.419 802 S HA -0.205 4.264 4.470 -0.000 0.000 0.235 802 S C 2.122 176.584 174.600 -0.230 0.000 1.019 802 S CA 0.860 58.946 58.200 -0.190 0.000 0.982 802 S CB -0.741 62.398 63.200 -0.101 0.000 0.789 802 S HN 0.271 nan 8.310 nan 0.000 0.490 803 A N 1.299 123.906 122.820 -0.356 0.000 1.968 803 A HA 0.267 4.587 4.320 -0.000 0.000 0.217 803 A C 1.713 179.230 177.584 -0.112 0.000 1.169 803 A CA 1.012 52.930 52.037 -0.199 0.000 0.638 803 A CB -0.640 18.288 19.000 -0.120 0.000 0.812 803 A HN 0.955 nan 8.150 nan 0.000 0.446 804 F N -1.494 118.436 119.950 -0.032 0.000 2.781 804 F HA 0.457 4.984 4.527 -0.000 0.000 0.322 804 F C 0.230 176.019 175.800 -0.018 0.000 1.108 804 F CA -0.088 57.887 58.000 -0.041 0.000 1.179 804 F CB 0.014 38.963 39.000 -0.085 0.000 1.072 804 F HN 0.106 nan 8.300 nan 0.000 0.545 805 S N 0.616 116.325 115.700 0.015 0.000 2.541 805 S HA 0.734 5.204 4.470 -0.000 0.000 0.271 805 S C -0.624 173.979 174.600 0.006 0.000 1.133 805 S CA -0.056 58.201 58.200 0.094 0.000 0.876 805 S CB 1.815 65.149 63.200 0.222 0.000 1.105 805 S HN 0.469 nan 8.310 nan 0.000 0.470 806 S N 1.028 116.724 115.700 -0.007 0.000 2.689 806 S HA 0.942 5.412 4.470 -0.000 0.000 0.306 806 S C -0.489 174.040 174.600 -0.119 0.000 1.104 806 S CA -0.260 57.913 58.200 -0.046 0.000 0.973 806 S CB 1.381 64.559 63.200 -0.036 0.000 1.121 806 S HN 2.028 nan 8.310 nan 0.000 0.523 807 S N 0.301 115.899 115.700 -0.169 0.000 2.533 807 S HA 0.790 5.260 4.470 -0.000 0.000 0.271 807 S C -0.954 173.424 174.600 -0.370 0.000 1.143 807 S CA -1.105 56.857 58.200 -0.397 0.000 0.891 807 S CB 1.565 64.412 63.200 -0.587 0.000 1.105 807 S HN 1.257 nan 8.310 nan 0.000 0.468 808 R N 0.726 120.928 120.500 -0.496 0.000 2.739 808 R HA 0.595 4.935 4.340 -0.000 0.000 0.271 808 R C -1.817 174.281 176.300 -0.337 0.000 1.010 808 R CA -0.972 54.977 56.100 -0.252 0.000 0.897 808 R CB 0.650 30.896 30.300 -0.089 0.000 1.236 808 R HN 0.614 nan 8.270 nan 0.000 0.466 809 W N 1.303 122.546 121.300 -0.095 0.000 2.183 809 W HA 0.345 5.005 4.660 -0.000 0.000 0.348 809 W C 0.336 176.824 176.519 -0.052 0.000 1.257 809 W CA 0.471 57.789 57.345 -0.046 0.000 1.324 809 W CB 0.786 30.259 29.460 0.022 0.000 1.144 809 W HN 0.731 nan 8.180 nan 0.000 0.622 810 E N -0.395 119.932 120.200 0.212 0.000 2.439 810 E HA 0.307 4.657 4.350 -0.000 0.000 0.279 810 E C -2.040 174.627 176.600 0.111 0.000 1.077 810 E CA -1.037 55.456 56.400 0.156 0.000 0.849 810 E CB 1.072 30.824 29.700 0.086 0.000 1.408 810 E HN 0.384 nan 8.360 nan 0.000 0.457 811 Y N -0.373 119.991 120.300 0.108 0.000 2.335 811 Y HA 0.676 5.226 4.550 -0.000 0.000 0.323 811 Y C 0.863 176.803 175.900 0.066 0.000 1.224 811 Y CA 0.776 58.936 58.100 0.099 0.000 1.241 811 Y CB 2.131 40.645 38.460 0.089 0.000 1.235 811 Y HN 0.743 nan 8.280 nan 0.000 0.492 812 G N -0.048 108.869 108.800 0.194 0.000 2.870 812 G HA2 0.425 4.385 3.960 -0.000 0.000 0.299 812 G HA3 0.425 4.385 3.960 -0.000 0.000 0.299 812 G C -1.644 173.289 174.900 0.057 0.000 1.324 812 G CA -0.834 44.315 45.100 0.080 0.000 0.808 812 G HN 0.450 nan 8.290 nan 0.000 0.535 813 S N -0.185 115.474 115.700 -0.068 0.000 2.454 813 S HA 0.626 5.096 4.470 -0.000 0.000 0.306 813 S C -1.777 172.809 174.600 -0.023 0.000 1.100 813 S CA -1.502 56.655 58.200 -0.072 0.000 1.087 813 S CB 1.925 64.945 63.200 -0.301 0.000 1.019 813 S HN 0.252 nan 8.310 nan 0.000 0.480 814 P HA 0.178 nan 4.420 nan 0.000 0.240 814 P C -0.214 177.103 177.300 0.028 0.000 1.190 814 P CA 0.283 63.401 63.100 0.029 0.000 0.781 814 P CB 0.161 31.889 31.700 0.047 0.000 0.931 815 R N 0.165 120.683 120.500 0.030 0.000 2.542 815 R HA 0.435 4.775 4.340 -0.000 0.000 0.284 815 R C -1.746 174.584 176.300 0.050 0.000 1.167 815 R CA -0.483 55.644 56.100 0.044 0.000 1.000 815 R CB 0.764 31.098 30.300 0.057 0.000 1.229 815 R HN -0.064 nan 8.270 nan 0.000 0.416 816 L N 4.143 125.392 121.223 0.043 0.000 2.325 816 L HA 0.494 4.834 4.340 -0.000 0.000 0.281 816 L C -0.373 176.541 176.870 0.074 0.000 1.004 816 L CA -0.712 54.163 54.840 0.057 0.000 0.823 816 L CB 2.018 44.090 42.059 0.021 0.000 1.236 816 L HN 0.593 nan 8.230 nan 0.000 0.415 817 E N 3.593 123.849 120.200 0.093 0.000 2.222 817 E HA 0.695 5.045 4.350 -0.000 0.000 0.272 817 E C -1.023 175.633 176.600 0.094 0.000 0.982 817 E CA -0.988 55.467 56.400 0.091 0.000 0.842 817 E CB 1.827 31.581 29.700 0.089 0.000 1.144 817 E HN 0.426 nan 8.360 nan 0.000 0.397 818 R N 1.448 122.007 120.500 0.099 0.000 2.621 818 R HA 0.364 4.704 4.340 -0.000 0.000 0.284 818 R C -1.576 174.811 176.300 0.145 0.000 0.998 818 R CA -0.930 55.228 56.100 0.097 0.000 0.895 818 R CB 1.555 31.891 30.300 0.060 0.000 1.195 818 R HN 0.524 nan 8.270 nan 0.000 0.450 819 Y N 2.546 122.836 120.300 -0.017 0.000 2.341 819 Y HA 0.194 4.744 4.550 -0.000 0.000 0.338 819 Y C -0.003 175.876 175.900 -0.035 0.000 0.965 819 Y CA -0.949 57.127 58.100 -0.039 0.000 1.108 819 Y CB 1.203 39.612 38.460 -0.085 0.000 1.180 819 Y HN 0.680 nan 8.280 nan 0.000 0.458 820 N N 4.107 122.503 118.700 -0.507 0.000 2.708 820 N HA -0.243 4.497 4.740 -0.000 0.000 0.251 820 N C 0.934 176.360 175.510 -0.139 0.000 1.017 820 N CA 1.728 54.575 53.050 -0.338 0.000 0.742 820 N CB -1.018 37.259 38.487 -0.349 0.000 0.943 820 N HN 1.243 nan 8.380 nan 0.000 0.539 821 G N -2.013 106.735 108.800 -0.087 0.000 2.308 821 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.221 821 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.221 821 G C 0.005 174.901 174.900 -0.006 0.000 1.032 821 G CA 0.300 45.378 45.100 -0.038 0.000 0.623 821 G HN 0.351 nan 8.290 nan 0.000 0.506 822 L N 2.075 123.301 121.223 0.005 0.000 2.334 822 L HA 0.543 4.883 4.340 -0.000 0.000 0.275 822 L C -2.069 174.830 176.870 0.049 0.000 1.036 822 L CA -2.377 52.477 54.840 0.025 0.000 0.807 822 L CB 1.494 43.566 42.059 0.021 0.000 1.231 822 L HN -0.143 nan 8.230 nan 0.000 0.438 823 P HA -0.013 nan 4.420 nan 0.000 0.261 823 P C -0.949 176.392 177.300 0.069 0.000 1.173 823 P CA 0.193 63.334 63.100 0.068 0.000 0.760 823 P CB 0.567 32.309 31.700 0.070 0.000 0.783 824 S N 2.899 118.647 115.700 0.079 0.000 2.627 824 S HA 0.827 5.297 4.470 -0.000 0.000 0.283 824 S C -0.925 173.709 174.600 0.057 0.000 1.127 824 S CA -0.901 57.336 58.200 0.062 0.000 0.863 824 S CB 1.418 64.670 63.200 0.086 0.000 1.121 824 S HN 0.209 nan 8.310 nan 0.000 0.479 825 M N 1.830 121.449 119.600 0.031 0.000 2.213 825 M HA 0.419 4.899 4.480 -0.000 0.000 0.286 825 M C -0.781 175.535 176.300 0.026 0.000 1.008 825 M CA -0.274 55.049 55.300 0.038 0.000 0.937 825 M CB 2.216 34.838 32.600 0.037 0.000 1.600 825 M HN 0.886 nan 8.290 nan 0.000 0.450 826 E N 3.584 123.798 120.200 0.024 0.000 2.283 826 E HA 0.540 4.890 4.350 -0.000 0.000 0.278 826 E C -1.473 175.169 176.600 0.070 0.000 1.027 826 E CA -0.291 56.118 56.400 0.015 0.000 0.843 826 E CB 1.117 30.817 29.700 -0.000 0.000 1.062 826 E HN 0.606 nan 8.360 nan 0.000 0.401 827 I N 5.641 126.296 120.570 0.142 0.000 2.447 827 I HA 0.256 4.426 4.170 -0.000 0.000 0.287 827 I C -0.389 175.831 176.117 0.172 0.000 1.023 827 I CA -0.560 60.837 61.300 0.162 0.000 1.083 827 I CB 1.286 39.415 38.000 0.216 0.000 1.245 827 I HN 0.432 nan 8.210 nan 0.000 0.434 828 L N 4.970 126.212 121.223 0.032 0.000 2.416 828 L HA 0.973 5.313 4.340 -0.000 0.000 0.263 828 L C 0.548 177.232 176.870 -0.309 0.000 1.065 828 L CA -0.579 54.196 54.840 -0.108 0.000 0.798 828 L CB 1.488 43.473 42.059 -0.124 0.000 1.267 828 L HN 0.766 nan 8.230 nan 0.000 0.467 829 G N 0.164 108.537 108.800 -0.711 0.000 2.321 829 G HA2 0.405 4.365 3.960 -0.000 0.000 0.298 829 G HA3 0.405 4.365 3.960 -0.000 0.000 0.298 829 G C -2.298 171.924 174.900 -1.131 0.000 1.385 829 G CA -0.684 43.919 45.100 -0.829 0.000 0.856 829 G HN 0.655 nan 8.290 nan 0.000 0.584 830 Q N -0.736 118.782 119.800 -0.470 0.000 2.456 830 Q HA 0.764 5.104 4.340 -0.000 0.000 0.284 830 Q C -0.248 175.813 176.000 0.103 0.000 1.061 830 Q CA -0.782 54.928 55.803 -0.156 0.000 0.799 830 Q CB 2.167 30.835 28.738 -0.116 0.000 1.445 830 Q HN 1.810 nan 8.270 nan 0.000 0.411 831 A N 1.108 124.020 122.820 0.153 0.000 2.511 831 A HA 0.537 4.857 4.320 -0.000 0.000 0.242 831 A C 0.290 177.908 177.584 0.058 0.000 1.069 831 A CA 0.333 52.440 52.037 0.118 0.000 0.763 831 A CB -0.045 19.004 19.000 0.081 0.000 1.001 831 A HN 0.824 nan 8.150 nan 0.000 0.498 832 A N 4.407 127.259 122.820 0.054 0.000 2.386 832 A HA 0.529 4.849 4.320 -0.000 0.000 0.248 832 A C -0.695 176.899 177.584 0.018 0.000 1.082 832 A CA -0.918 51.139 52.037 0.034 0.000 0.789 832 A CB -0.449 18.574 19.000 0.039 0.000 1.025 832 A HN 0.671 nan 8.150 nan 0.000 0.490 833 P HA -0.304 nan 4.420 nan 0.000 0.233 833 P C 1.512 178.809 177.300 -0.005 0.000 1.141 833 P CA 2.714 65.813 63.100 -0.001 0.000 0.951 833 P CB -0.079 31.622 31.700 0.000 0.000 0.778 834 G N -1.863 106.938 108.800 0.002 0.000 2.426 834 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.214 834 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.214 834 G C 0.652 175.551 174.900 -0.002 0.000 1.156 834 G CA 0.438 45.538 45.100 -0.000 0.000 0.802 834 G HN 0.281 nan 8.290 nan 0.000 0.534 835 K N 0.604 121.006 120.400 0.004 0.000 2.109 835 K HA 0.518 4.838 4.320 -0.000 0.000 0.243 835 K C 0.415 177.014 176.600 -0.002 0.000 1.006 835 K CA -0.370 55.919 56.287 0.003 0.000 0.917 835 K CB 1.533 34.039 32.500 0.010 0.000 1.081 835 K HN 0.225 nan 8.250 nan 0.000 0.468 836 S N -1.074 114.622 115.700 -0.007 0.000 2.693 836 S HA 0.191 4.661 4.470 -0.000 0.000 0.276 836 S C 0.796 175.392 174.600 -0.007 0.000 1.192 836 S CA -0.600 57.592 58.200 -0.014 0.000 0.994 836 S CB 1.369 64.558 63.200 -0.018 0.000 1.012 836 S HN 0.506 nan 8.310 nan 0.000 0.550 837 T N 1.292 115.840 114.554 -0.010 0.000 2.746 837 T HA 0.008 4.358 4.350 -0.000 0.000 0.267 837 T C 2.051 176.707 174.700 -0.074 0.000 1.039 837 T CA 1.700 63.801 62.100 0.002 0.000 1.142 837 T CB -1.136 67.738 68.868 0.010 0.000 0.866 837 T HN 0.854 nan 8.240 nan 0.000 0.444 838 G N 1.034 109.782 108.800 -0.085 0.000 2.442 838 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.219 838 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.219 838 G C 1.456 176.295 174.900 -0.101 0.000 1.141 838 G CA 0.699 45.729 45.100 -0.117 0.000 0.763 838 G HN 0.496 nan 8.290 nan 0.000 0.554 839 E N 0.305 120.467 120.200 -0.063 0.000 2.051 839 E HA -0.086 4.264 4.350 -0.000 0.000 0.192 839 E C 2.959 179.517 176.600 -0.070 0.000 0.991 839 E CA 0.868 57.238 56.400 -0.051 0.000 0.799 839 E CB -0.177 29.507 29.700 -0.027 0.000 0.748 839 E HN 0.406 nan 8.360 nan 0.000 0.449 840 A N 0.767 123.547 122.820 -0.067 0.000 1.930 840 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 840 A C 2.119 179.579 177.584 -0.208 0.000 1.175 840 A CA 1.285 53.273 52.037 -0.083 0.000 0.627 840 A CB -0.405 18.619 19.000 0.039 0.000 0.815 840 A HN 0.162 nan 8.150 nan 0.000 0.443 841 M N -1.180 118.255 119.600 -0.275 0.000 2.159 841 M HA -0.144 4.336 4.480 -0.000 0.000 0.263 841 M C 2.169 178.442 176.300 -0.045 0.000 1.063 841 M CA 1.704 56.810 55.300 -0.322 0.000 1.110 841 M CB -0.249 31.953 32.600 -0.663 0.000 1.374 841 M HN 0.581 nan 8.290 nan 0.000 0.411 842 E N 0.473 120.628 120.200 -0.075 0.000 2.208 842 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 842 E C 1.939 178.512 176.600 -0.045 0.000 0.988 842 E CA 0.647 57.034 56.400 -0.021 0.000 0.828 842 E CB 0.150 29.830 29.700 -0.032 0.000 0.763 842 E HN 0.414 nan 8.360 nan 0.000 0.478 843 L N 0.409 121.573 121.223 -0.098 0.000 2.209 843 L HA -0.059 4.281 4.340 -0.000 0.000 0.207 843 L C 2.071 178.821 176.870 -0.200 0.000 1.094 843 L CA 0.759 55.505 54.840 -0.158 0.000 0.790 843 L CB -0.269 41.673 42.059 -0.195 0.000 0.932 843 L HN 0.265 nan 8.230 nan 0.000 0.447 844 M N -0.034 119.449 119.600 -0.196 0.000 2.099 844 M HA -0.209 4.271 4.480 -0.000 0.000 0.262 844 M C 1.953 178.061 176.300 -0.321 0.000 1.067 844 M CA 1.579 56.694 55.300 -0.308 0.000 1.124 844 M CB -0.780 31.612 32.600 -0.348 0.000 1.353 844 M HN 0.277 nan 8.290 nan 0.000 0.410 845 E N -0.166 119.944 120.200 -0.149 0.000 2.160 845 E HA -0.242 4.108 4.350 -0.000 0.000 0.195 845 E C 2.050 178.559 176.600 -0.151 0.000 0.991 845 E CA 1.168 57.443 56.400 -0.209 0.000 0.810 845 E CB -0.100 29.683 29.700 0.137 0.000 0.742 845 E HN 0.586 nan 8.360 nan 0.000 0.466 846 Q N 0.367 120.102 119.800 -0.108 0.000 1.990 846 Q HA -0.108 4.232 4.340 -0.000 0.000 0.200 846 Q C 2.336 178.271 176.000 -0.109 0.000 0.980 846 Q CA 1.058 56.812 55.803 -0.082 0.000 0.832 846 Q CB -0.081 28.607 28.738 -0.083 0.000 0.897 846 Q HN 0.267 nan 8.270 nan 0.000 0.427 847 L N 0.139 121.263 121.223 -0.165 0.000 2.127 847 L HA -0.187 4.153 4.340 -0.000 0.000 0.211 847 L C 2.235 179.015 176.870 -0.149 0.000 1.089 847 L CA 0.915 55.664 54.840 -0.152 0.000 0.757 847 L CB -0.435 41.509 42.059 -0.191 0.000 0.899 847 L HN 0.226 nan 8.230 nan 0.000 0.434 848 A N -0.651 122.036 122.820 -0.221 0.000 2.169 848 A HA -0.085 4.235 4.320 -0.000 0.000 0.212 848 A C 2.438 180.006 177.584 -0.027 0.000 1.153 848 A CA 1.096 53.028 52.037 -0.174 0.000 0.756 848 A CB -0.358 18.412 19.000 -0.383 0.000 0.813 848 A HN 0.477 nan 8.150 nan 0.000 0.471 849 S N 0.263 115.953 115.700 -0.016 0.000 2.436 849 S HA -0.049 4.421 4.470 -0.000 0.000 0.228 849 S C 1.289 175.910 174.600 0.033 0.000 1.014 849 S CA 0.980 59.211 58.200 0.052 0.000 0.950 849 S CB -0.258 62.971 63.200 0.049 0.000 0.784 849 S HN 0.564 nan 8.310 nan 0.000 0.504 850 K N 1.069 121.473 120.400 0.007 0.000 2.493 850 K HA 0.375 4.695 4.320 -0.000 0.000 0.207 850 K C -0.279 176.324 176.600 0.005 0.000 1.033 850 K CA -0.191 56.100 56.287 0.007 0.000 1.161 850 K CB 0.064 32.564 32.500 0.000 0.000 0.873 850 K HN 0.385 nan 8.250 nan 0.000 0.491 851 L N 1.992 123.222 121.223 0.012 0.000 2.439 851 L HA 0.246 4.586 4.340 -0.000 0.000 0.261 851 L C -1.964 174.918 176.870 0.019 0.000 1.153 851 L CA -2.169 52.678 54.840 0.013 0.000 0.808 851 L CB -0.027 42.046 42.059 0.023 0.000 1.126 851 L HN -0.106 nan 8.230 nan 0.000 0.460 852 P HA 0.028 nan 4.420 nan 0.000 0.268 852 P C -0.714 176.597 177.300 0.017 0.000 1.208 852 P CA -0.269 62.838 63.100 0.012 0.000 0.777 852 P CB 0.171 31.875 31.700 0.006 0.000 0.875 853 T N 1.317 115.880 114.554 0.015 0.000 2.933 853 T HA 0.302 4.652 4.350 -0.000 0.000 0.306 853 T C 1.437 176.147 174.700 0.016 0.000 1.045 853 T CA 1.113 63.223 62.100 0.016 0.000 1.143 853 T CB -0.201 68.674 68.868 0.012 0.000 1.003 853 T HN 0.847 nan 8.240 nan 0.000 0.540 854 G N 1.725 110.535 108.800 0.017 0.000 2.258 854 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.233 854 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.233 854 G C 0.158 175.069 174.900 0.019 0.000 1.006 854 G CA -0.183 44.926 45.100 0.015 0.000 0.620 854 G HN 0.823 nan 8.290 nan 0.000 0.511 855 V N 1.817 121.747 119.914 0.027 0.000 2.461 855 V HA 0.671 4.791 4.120 -0.000 0.000 0.275 855 V C 1.074 177.203 176.094 0.058 0.000 1.047 855 V CA 0.530 62.853 62.300 0.039 0.000 0.955 855 V CB 1.044 32.893 31.823 0.043 0.000 0.988 855 V HN 0.840 nan 8.190 nan 0.000 0.471 856 G N 3.596 112.425 108.800 0.048 0.000 3.013 856 G HA2 0.821 4.781 3.960 -0.000 0.000 0.278 856 G HA3 0.821 4.781 3.960 -0.000 0.000 0.278 856 G C -1.439 173.499 174.900 0.063 0.000 1.353 856 G CA -0.626 44.495 45.100 0.035 0.000 1.043 856 G HN 0.858 nan 8.290 nan 0.000 0.523 857 Y N -1.920 118.277 120.300 -0.172 0.000 2.656 857 Y HA 0.770 5.320 4.550 -0.000 0.000 0.334 857 Y C -1.946 173.663 175.900 -0.485 0.000 1.179 857 Y CA -1.353 56.498 58.100 -0.415 0.000 1.050 857 Y CB 2.016 40.205 38.460 -0.451 0.000 1.308 857 Y HN 0.590 nan 8.280 nan 0.000 0.456 858 D N 0.275 120.286 120.400 -0.647 0.000 2.623 858 D HA 0.350 4.990 4.640 -0.000 0.000 0.241 858 D C -2.166 173.723 176.300 -0.685 0.000 1.241 858 D CA -0.483 53.189 54.000 -0.546 0.000 0.788 858 D CB 1.721 42.376 40.800 -0.242 0.000 1.413 858 D HN 0.641 nan 8.370 nan 0.000 0.429 859 W N 0.970 122.188 121.300 -0.136 0.000 2.351 859 W HA 0.535 5.195 4.660 -0.000 0.000 0.311 859 W C 0.608 177.066 176.519 -0.101 0.000 1.168 859 W CA -0.413 56.881 57.345 -0.085 0.000 1.200 859 W CB 1.733 31.228 29.460 0.058 0.000 1.221 859 W HN 0.047 nan 8.180 nan 0.000 0.519 860 T N 1.220 115.793 114.554 0.031 0.000 2.926 860 T HA 0.658 5.008 4.350 -0.000 0.000 0.289 860 T C 0.814 175.528 174.700 0.024 0.000 1.054 860 T CA 0.504 62.466 62.100 -0.229 0.000 1.015 860 T CB 0.850 69.372 68.868 -0.578 0.000 1.167 860 T HN 0.958 nan 8.240 nan 0.000 0.526 861 G N 2.674 111.483 108.800 0.014 0.000 2.596 861 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.304 861 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.304 861 G C 0.886 175.926 174.900 0.233 0.000 1.189 861 G CA 0.783 45.991 45.100 0.180 0.000 0.986 861 G HN 0.687 nan 8.290 nan 0.000 0.548 862 M N 1.089 120.796 119.600 0.179 0.000 2.419 862 M HA 0.169 4.649 4.480 -0.000 0.000 0.264 862 M C 2.652 179.056 176.300 0.174 0.000 1.082 862 M CA 1.835 57.231 55.300 0.161 0.000 1.119 862 M CB -1.278 31.398 32.600 0.125 0.000 1.398 862 M HN 0.380 nan 8.290 nan 0.000 0.453 863 S N -0.629 115.190 115.700 0.199 0.000 2.395 863 S HA -0.080 4.390 4.470 -0.000 0.000 0.225 863 S C 1.899 176.580 174.600 0.135 0.000 1.027 863 S CA 0.495 58.759 58.200 0.107 0.000 0.965 863 S CB -0.429 62.872 63.200 0.168 0.000 0.812 863 S HN 0.530 nan 8.310 nan 0.000 0.482 864 Y N 2.099 122.485 120.300 0.143 0.000 2.242 864 Y HA -0.151 4.399 4.550 -0.000 0.000 0.291 864 Y C 2.529 178.515 175.900 0.145 0.000 1.137 864 Y CA 1.568 59.767 58.100 0.166 0.000 1.181 864 Y CB -0.214 38.365 38.460 0.197 0.000 0.989 864 Y HN 0.132 nan 8.280 nan 0.000 0.527 865 Q N 0.765 120.766 119.800 0.335 0.000 2.020 865 Q HA -0.194 4.146 4.340 -0.000 0.000 0.202 865 Q C 2.106 178.166 176.000 0.101 0.000 0.982 865 Q CA 2.355 58.289 55.803 0.218 0.000 0.838 865 Q CB -0.185 28.669 28.738 0.194 0.000 0.899 865 Q HN 0.582 nan 8.270 nan 0.000 0.423 866 E N -0.515 119.740 120.200 0.091 0.000 2.118 866 E HA -0.227 4.123 4.350 -0.000 0.000 0.195 866 E C 2.120 178.726 176.600 0.010 0.000 0.992 866 E CA 1.090 57.530 56.400 0.066 0.000 0.804 866 E CB -0.053 29.679 29.700 0.054 0.000 0.741 866 E HN 0.198 nan 8.360 nan 0.000 0.458 867 R N 0.141 120.610 120.500 -0.052 0.000 2.073 867 R HA -0.080 4.260 4.340 -0.000 0.000 0.234 867 R C 1.963 178.226 176.300 -0.062 0.000 1.134 867 R CA 1.001 57.051 56.100 -0.084 0.000 0.952 867 R CB -0.152 30.073 30.300 -0.126 0.000 0.850 867 R HN 0.142 nan 8.270 nan 0.000 0.433 868 L N 0.384 121.552 121.223 -0.090 0.000 2.627 868 L HA 0.040 4.380 4.340 -0.000 0.000 0.233 868 L C 0.618 177.505 176.870 0.029 0.000 1.144 868 L CA 0.287 55.089 54.840 -0.063 0.000 0.892 868 L CB 0.443 42.418 42.059 -0.140 0.000 1.039 868 L HN 0.187 nan 8.230 nan 0.000 0.442 869 S N -3.676 112.066 115.700 0.069 0.000 3.053 869 S HA 0.201 4.671 4.470 -0.000 0.000 0.255 869 S C 1.178 175.886 174.600 0.179 0.000 0.976 869 S CA 0.072 58.363 58.200 0.152 0.000 1.159 869 S CB 0.507 63.824 63.200 0.196 0.000 1.110 869 S HN 0.183 nan 8.310 nan 0.000 0.633 870 G N 1.895 110.762 108.800 0.111 0.000 2.887 870 G HA2 0.134 4.094 3.960 -0.000 0.000 0.211 870 G HA3 0.134 4.094 3.960 -0.000 0.000 0.211 870 G C 0.333 175.293 174.900 0.099 0.000 1.152 870 G CA -0.331 44.832 45.100 0.105 0.000 0.769 870 G HN 0.561 nan 8.290 nan 0.000 0.541 871 N N 0.440 119.188 118.700 0.079 0.000 2.714 871 N HA 0.299 5.039 4.740 -0.000 0.000 0.298 871 N C 0.871 176.410 175.510 0.047 0.000 1.298 871 N CA -0.032 53.050 53.050 0.053 0.000 1.007 871 N CB 0.974 39.476 38.487 0.025 0.000 1.318 871 N HN 0.305 nan 8.380 nan 0.000 0.516 872 Q N -0.701 119.154 119.800 0.091 0.000 2.330 872 Q HA 0.311 4.651 4.340 -0.000 0.000 0.254 872 Q C 1.659 177.652 176.000 -0.012 0.000 0.777 872 Q CA 0.105 55.910 55.803 0.004 0.000 0.972 872 Q CB 0.241 28.976 28.738 -0.004 0.000 1.236 872 Q HN 0.386 nan 8.270 nan 0.000 0.508 873 A N 2.570 125.553 122.820 0.271 0.000 1.892 873 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 873 A C -0.433 177.284 177.584 0.222 0.000 1.188 873 A CA 1.826 54.093 52.037 0.383 0.000 0.631 873 A CB -1.384 17.853 19.000 0.394 0.000 0.822 873 A HN 0.286 nan 8.150 nan 0.000 0.447 874 P HA -0.008 nan 4.420 nan 0.000 0.219 874 P C 1.543 178.855 177.300 0.019 0.000 1.154 874 P CA 1.591 64.740 63.100 0.081 0.000 0.826 874 P CB -0.194 31.534 31.700 0.046 0.000 0.795 875 S N 0.531 116.214 115.700 -0.030 0.000 2.370 875 S HA -0.099 4.371 4.470 -0.000 0.000 0.226 875 S C 2.086 176.604 174.600 -0.137 0.000 1.033 875 S CA 1.202 59.357 58.200 -0.075 0.000 1.011 875 S CB -1.092 62.056 63.200 -0.085 0.000 0.852 875 S HN 0.117 nan 8.310 nan 0.000 0.457 876 L N -0.667 120.406 121.223 -0.251 0.000 2.068 876 L HA -0.013 4.327 4.340 -0.000 0.000 0.204 876 L C 2.083 178.758 176.870 -0.325 0.000 1.076 876 L CA 1.245 55.847 54.840 -0.398 0.000 0.753 876 L CB -0.515 41.108 42.059 -0.726 0.000 0.910 876 L HN 0.317 nan 8.230 nan 0.000 0.439 877 Y N -0.528 119.727 120.300 -0.075 0.000 2.571 877 Y HA -0.059 4.491 4.550 -0.000 0.000 0.294 877 Y C 2.486 178.364 175.900 -0.037 0.000 1.141 877 Y CA 0.256 58.330 58.100 -0.044 0.000 1.308 877 Y CB -0.300 38.148 38.460 -0.020 0.000 1.002 877 Y HN 0.151 nan 8.280 nan 0.000 0.551 878 A N 0.545 123.404 122.820 0.065 0.000 1.898 878 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 878 A C 2.062 179.654 177.584 0.014 0.000 1.181 878 A CA 1.450 53.504 52.037 0.029 0.000 0.620 878 A CB -0.841 18.160 19.000 0.000 0.000 0.819 878 A HN 0.484 nan 8.150 nan 0.000 0.442 879 I N -0.441 120.114 120.570 -0.026 0.000 2.361 879 I HA -0.196 3.974 4.170 -0.000 0.000 0.251 879 I C 2.653 178.770 176.117 -0.000 0.000 1.133 879 I CA 1.050 62.329 61.300 -0.034 0.000 1.413 879 I CB -0.274 37.669 38.000 -0.096 0.000 1.073 879 I HN 0.213 nan 8.210 nan 0.000 0.424 880 S N 1.008 116.722 115.700 0.024 0.000 2.351 880 S HA -0.144 4.326 4.470 -0.000 0.000 0.220 880 S C 2.019 176.667 174.600 0.080 0.000 1.035 880 S CA 1.414 59.656 58.200 0.070 0.000 1.031 880 S CB -0.353 62.944 63.200 0.163 0.000 0.928 880 S HN 0.335 nan 8.310 nan 0.000 0.433 881 L N 0.880 122.155 121.223 0.087 0.000 2.079 881 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 881 L C 2.163 179.115 176.870 0.137 0.000 1.081 881 L CA 1.173 56.072 54.840 0.098 0.000 0.752 881 L CB -0.615 41.489 42.059 0.075 0.000 0.896 881 L HN 0.340 nan 8.230 nan 0.000 0.433 882 I N -1.229 119.409 120.570 0.113 0.000 2.252 882 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 882 I C 2.362 178.586 176.117 0.179 0.000 1.102 882 I CA 0.905 62.299 61.300 0.156 0.000 1.385 882 I CB -0.253 37.803 38.000 0.093 0.000 1.064 882 I HN 0.007 nan 8.210 nan 0.000 0.414 883 V N 0.099 120.076 119.914 0.105 0.000 2.323 883 V HA -0.181 3.939 4.120 -0.000 0.000 0.244 883 V C 2.445 178.580 176.094 0.067 0.000 1.041 883 V CA 1.236 63.578 62.300 0.071 0.000 1.025 883 V CB -0.265 31.580 31.823 0.036 0.000 0.656 883 V HN 0.202 nan 8.190 nan 0.000 0.451 884 V N -0.004 119.960 119.914 0.084 0.000 2.282 884 V HA -0.319 3.801 4.120 -0.000 0.000 0.249 884 V C 2.241 178.388 176.094 0.087 0.000 1.057 884 V CA 2.731 65.074 62.300 0.072 0.000 1.032 884 V CB -0.796 31.075 31.823 0.079 0.000 0.645 884 V HN 0.609 nan 8.190 nan 0.000 0.447 885 F N 0.201 120.155 119.950 0.007 0.000 2.126 885 F HA -0.207 4.320 4.527 -0.000 0.000 0.299 885 F C 1.961 177.760 175.800 -0.001 0.000 1.096 885 F CA 1.689 59.680 58.000 -0.015 0.000 1.255 885 F CB -0.392 38.608 39.000 -0.000 0.000 0.997 885 F HN 0.051 nan 8.300 nan 0.000 0.479 886 L N 0.215 121.352 121.223 -0.144 0.000 1.994 886 L HA -0.234 4.106 4.340 -0.000 0.000 0.208 886 L C 2.781 179.513 176.870 -0.230 0.000 1.071 886 L CA 1.610 56.324 54.840 -0.211 0.000 0.745 886 L CB -1.641 40.419 42.059 0.002 0.000 0.892 886 L HN 0.322 nan 8.230 nan 0.000 0.431 887 C N -0.840 118.378 119.300 -0.136 0.000 2.398 887 C HA -0.198 4.262 4.460 -0.000 0.000 0.276 887 C C 2.826 177.686 174.990 -0.216 0.000 1.222 887 C CA 0.665 59.598 59.018 -0.140 0.000 1.746 887 C CB -0.973 26.719 27.740 -0.079 0.000 2.039 887 C HN 0.461 nan 8.230 nan 0.000 0.470 888 L N 0.852 121.949 121.223 -0.211 0.000 2.056 888 L HA -0.115 4.225 4.340 -0.000 0.000 0.207 888 L C 2.891 179.584 176.870 -0.295 0.000 1.078 888 L CA 1.512 56.211 54.840 -0.236 0.000 0.749 888 L CB -0.830 41.206 42.059 -0.038 0.000 0.901 888 L HN 0.321 nan 8.230 nan 0.000 0.433 889 A N 0.090 122.657 122.820 -0.421 0.000 1.978 889 A HA -0.183 4.137 4.320 -0.000 0.000 0.220 889 A C 2.487 179.798 177.584 -0.456 0.000 1.170 889 A CA 1.829 53.542 52.037 -0.539 0.000 0.636 889 A CB -0.566 17.884 19.000 -0.916 0.000 0.810 889 A HN 0.427 nan 8.150 nan 0.000 0.448 890 A N -0.580 122.013 122.820 -0.379 0.000 1.898 890 A HA 0.104 4.424 4.320 -0.000 0.000 0.214 890 A C 2.093 179.508 177.584 -0.281 0.000 1.183 890 A CA 1.466 53.327 52.037 -0.295 0.000 0.622 890 A CB -0.595 18.272 19.000 -0.221 0.000 0.824 890 A HN 0.716 nan 8.150 nan 0.000 0.444 891 L N -1.060 119.943 121.223 -0.367 0.000 2.012 891 L HA -0.079 4.261 4.340 -0.000 0.000 0.210 891 L C 1.239 177.834 176.870 -0.459 0.000 1.073 891 L CA 1.525 56.088 54.840 -0.463 0.000 0.748 891 L CB -0.712 40.941 42.059 -0.676 0.000 0.891 891 L HN 0.438 nan 8.230 nan 0.000 0.431 892 Y N -0.710 119.506 120.300 -0.141 0.000 2.576 892 Y HA 0.466 5.016 4.550 -0.000 0.000 0.406 892 Y C 0.753 176.536 175.900 -0.195 0.000 1.381 892 Y CA -0.641 57.377 58.100 -0.138 0.000 1.763 892 Y CB -0.196 38.192 38.460 -0.119 0.000 1.736 892 Y HN -0.089 nan 8.280 nan 0.000 0.634 893 E N 0.013 120.206 120.200 -0.011 0.000 4.170 893 E HA 0.330 4.680 4.350 -0.000 0.000 0.215 893 E C -1.452 175.030 176.600 -0.196 0.000 1.119 893 E CA -0.172 56.138 56.400 -0.149 0.000 1.396 893 E CB 0.479 30.123 29.700 -0.093 0.000 1.182 893 E HN 0.443 nan 8.360 nan 0.000 0.438 894 S N -0.575 114.964 115.700 -0.270 0.000 2.537 894 S HA 0.338 4.808 4.470 -0.000 0.000 0.270 894 S C -0.831 173.588 174.600 -0.302 0.000 1.142 894 S CA -0.669 57.408 58.200 -0.206 0.000 0.870 894 S CB 0.404 63.559 63.200 -0.076 0.000 1.112 894 S HN 0.410 nan 8.310 nan 0.000 0.466 895 W N 2.213 123.576 121.300 0.104 0.000 3.256 895 W HA 0.141 4.801 4.660 -0.000 0.000 0.269 895 W C 1.990 178.624 176.519 0.192 0.000 1.310 895 W CA 0.397 57.829 57.345 0.145 0.000 1.673 895 W CB 0.238 29.847 29.460 0.247 0.000 1.115 895 W HN 0.773 nan 8.180 nan 0.000 0.686 896 S N -0.779 115.103 115.700 0.304 0.000 2.591 896 S HA 0.017 4.487 4.470 -0.000 0.000 0.235 896 S C 1.569 176.234 174.600 0.109 0.000 1.074 896 S CA 0.139 58.528 58.200 0.315 0.000 0.925 896 S CB -0.633 62.804 63.200 0.395 0.000 0.818 896 S HN 0.153 nan 8.310 nan 0.000 0.535 897 I N 3.440 123.993 120.570 -0.028 0.000 2.145 897 I HA -0.145 4.025 4.170 -0.000 0.000 0.244 897 I C -0.825 175.255 176.117 -0.062 0.000 1.075 897 I CA 1.562 62.767 61.300 -0.159 0.000 1.332 897 I CB -1.605 36.173 38.000 -0.370 0.000 1.033 897 I HN 0.243 nan 8.210 nan 0.000 0.410 898 P HA -0.248 nan 4.420 nan 0.000 0.219 898 P C 1.685 179.034 177.300 0.081 0.000 1.153 898 P CA 1.948 65.090 63.100 0.070 0.000 0.865 898 P CB -0.320 31.363 31.700 -0.028 0.000 0.788 899 F N 0.811 120.871 119.950 0.183 0.000 2.171 899 F HA -0.190 4.337 4.527 -0.000 0.000 0.300 899 F C 2.735 178.527 175.800 -0.013 0.000 1.090 899 F CA 1.367 59.413 58.000 0.076 0.000 1.293 899 F CB -1.005 38.027 39.000 0.052 0.000 1.013 899 F HN 0.025 nan 8.300 nan 0.000 0.486 900 S N -0.209 115.609 115.700 0.197 0.000 2.419 900 S HA -0.183 4.287 4.470 -0.000 0.000 0.235 900 S C 1.943 176.630 174.600 0.145 0.000 1.019 900 S CA 1.215 59.520 58.200 0.176 0.000 0.982 900 S CB -0.913 62.429 63.200 0.236 0.000 0.789 900 S HN 0.334 nan 8.310 nan 0.000 0.490 901 V N 0.377 120.376 119.914 0.141 0.000 2.825 901 V HA 0.249 4.369 4.120 -0.000 0.000 0.246 901 V C 2.030 178.161 176.094 0.061 0.000 1.068 901 V CA 1.089 63.470 62.300 0.136 0.000 1.088 901 V CB -0.481 31.455 31.823 0.189 0.000 0.733 901 V HN 0.510 nan 8.190 nan 0.000 0.468 902 M N -0.256 119.382 119.600 0.062 0.000 2.476 902 M HA 0.100 4.580 4.480 -0.000 0.000 0.262 902 M C 1.795 178.066 176.300 -0.048 0.000 1.079 902 M CA 1.384 56.715 55.300 0.051 0.000 1.104 902 M CB -0.138 32.547 32.600 0.142 0.000 1.409 902 M HN 0.314 nan 8.290 nan 0.000 0.467 903 L N -0.499 120.579 121.223 -0.241 0.000 2.622 903 L HA -0.081 4.259 4.340 -0.000 0.000 0.233 903 L C 1.940 178.544 176.870 -0.444 0.000 1.156 903 L CA 0.035 54.560 54.840 -0.524 0.000 0.866 903 L CB -0.308 40.981 42.059 -1.285 0.000 0.980 903 L HN 0.111 nan 8.230 nan 0.000 0.448 904 V N -1.310 118.498 119.914 -0.177 0.000 2.591 904 V HA -0.178 3.942 4.120 -0.000 0.000 0.249 904 V C 2.410 178.559 176.094 0.092 0.000 1.053 904 V CA 0.896 63.246 62.300 0.083 0.000 1.068 904 V CB 0.134 32.044 31.823 0.145 0.000 0.689 904 V HN 0.205 nan 8.190 nan 0.000 0.462 905 V N 0.737 120.673 119.914 0.036 0.000 2.252 905 V HA -0.272 3.848 4.120 -0.000 0.000 0.255 905 V C 0.218 176.324 176.094 0.019 0.000 1.071 905 V CA 2.934 65.245 62.300 0.017 0.000 1.050 905 V CB -2.059 29.756 31.823 -0.013 0.000 0.654 905 V HN 0.535 nan 8.190 nan 0.000 0.448 906 P HA -0.071 nan 4.420 nan 0.000 0.220 906 P C 1.749 179.051 177.300 0.004 0.000 1.148 906 P CA 0.927 64.009 63.100 -0.030 0.000 0.803 906 P CB -0.081 31.528 31.700 -0.152 0.000 0.782 907 L N -0.676 120.586 121.223 0.065 0.000 2.079 907 L HA -0.101 4.239 4.340 -0.000 0.000 0.210 907 L C 2.547 179.467 176.870 0.084 0.000 1.081 907 L CA 2.334 57.230 54.840 0.093 0.000 0.752 907 L CB -1.725 40.444 42.059 0.183 0.000 0.896 907 L HN 0.038 nan 8.230 nan 0.000 0.433 908 G N -1.499 107.346 108.800 0.075 0.000 2.396 908 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.214 908 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.214 908 G C 1.592 176.513 174.900 0.035 0.000 1.166 908 G CA 0.706 45.842 45.100 0.061 0.000 0.793 908 G HN 0.202 nan 8.290 nan 0.000 0.533 909 V N 1.233 121.163 119.914 0.025 0.000 2.287 909 V HA -0.197 3.923 4.120 -0.000 0.000 0.248 909 V C 2.620 178.748 176.094 0.056 0.000 1.053 909 V CA 1.694 64.013 62.300 0.032 0.000 1.027 909 V CB -0.484 31.373 31.823 0.057 0.000 0.646 909 V HN 0.369 nan 8.190 nan 0.000 0.447 910 I N 1.249 121.845 120.570 0.042 0.000 2.335 910 I HA -0.169 4.000 4.170 -0.000 0.000 0.251 910 I C 2.183 178.316 176.117 0.027 0.000 1.129 910 I CA 1.863 63.183 61.300 0.033 0.000 1.402 910 I CB -0.726 37.277 38.000 0.006 0.000 1.069 910 I HN 0.233 nan 8.210 nan 0.000 0.424 911 G N -0.446 108.374 108.800 0.034 0.000 2.394 911 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.215 911 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.215 911 G C 1.735 176.663 174.900 0.047 0.000 1.165 911 G CA 0.586 45.703 45.100 0.029 0.000 0.784 911 G HN 0.567 nan 8.290 nan 0.000 0.535 912 A N 0.593 123.454 122.820 0.068 0.000 1.877 912 A HA 0.112 4.432 4.320 -0.000 0.000 0.216 912 A C 2.437 180.200 177.584 0.298 0.000 1.186 912 A CA 1.228 53.349 52.037 0.139 0.000 0.620 912 A CB -0.452 18.527 19.000 -0.036 0.000 0.822 912 A HN 0.335 nan 8.150 nan 0.000 0.443 913 L N -1.126 120.242 121.223 0.242 0.000 2.017 913 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 913 L C 2.599 179.488 176.870 0.031 0.000 1.073 913 L CA 1.374 56.310 54.840 0.160 0.000 0.745 913 L CB -0.439 41.680 42.059 0.100 0.000 0.894 913 L HN 0.436 nan 8.230 nan 0.000 0.432 914 L N -0.648 120.567 121.223 -0.013 0.000 2.131 914 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 914 L C 2.630 179.425 176.870 -0.126 0.000 1.092 914 L CA 1.318 56.072 54.840 -0.143 0.000 0.759 914 L CB -0.274 41.665 42.059 -0.200 0.000 0.903 914 L HN 0.238 nan 8.230 nan 0.000 0.435 915 A N -0.589 122.223 122.820 -0.013 0.000 1.855 915 A HA -0.133 4.187 4.320 -0.000 0.000 0.215 915 A C 2.414 180.041 177.584 0.070 0.000 1.191 915 A CA 1.586 53.648 52.037 0.041 0.000 0.613 915 A CB -0.957 18.086 19.000 0.072 0.000 0.829 915 A HN 0.485 nan 8.150 nan 0.000 0.442 916 A N -0.960 121.889 122.820 0.048 0.000 1.898 916 A HA -0.039 4.280 4.320 -0.000 0.000 0.216 916 A C 2.296 179.852 177.584 -0.047 0.000 1.181 916 A CA 2.227 54.232 52.037 -0.054 0.000 0.620 916 A CB -1.287 17.533 19.000 -0.300 0.000 0.819 916 A HN 0.440 nan 8.150 nan 0.000 0.442 917 T N -0.651 113.895 114.554 -0.013 0.000 2.684 917 T HA -0.138 4.212 4.350 -0.000 0.000 0.267 917 T C 1.609 176.436 174.700 0.213 0.000 1.036 917 T CA 1.569 63.705 62.100 0.061 0.000 1.148 917 T CB -0.482 68.442 68.868 0.093 0.000 0.863 917 T HN 0.477 nan 8.240 nan 0.000 0.436 918 F N 0.779 120.709 119.950 -0.034 0.000 2.259 918 F HA 0.029 4.556 4.527 -0.000 0.000 0.298 918 F C 2.629 178.417 175.800 -0.021 0.000 1.088 918 F CA 0.210 58.200 58.000 -0.018 0.000 1.358 918 F CB 0.104 39.104 39.000 0.000 0.000 1.040 918 F HN -0.137 nan 8.300 nan 0.000 0.505 919 R N 0.497 121.085 120.500 0.147 0.000 2.299 919 R HA 0.067 4.407 4.340 -0.000 0.000 0.197 919 R C 1.357 177.663 176.300 0.010 0.000 0.971 919 R CA 0.791 56.927 56.100 0.060 0.000 1.030 919 R CB -0.796 29.534 30.300 0.050 0.000 0.932 919 R HN 0.357 nan 8.270 nan 0.000 0.477 920 G N 1.291 110.090 108.800 -0.002 0.000 2.198 920 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.260 920 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.260 920 G C 0.286 175.153 174.900 -0.055 0.000 1.025 920 G CA 0.127 45.206 45.100 -0.035 0.000 0.769 920 G HN 0.171 nan 8.290 nan 0.000 0.507 921 L N -0.789 120.390 121.223 -0.074 0.000 2.777 921 L HA 0.877 5.216 4.340 -0.000 0.000 0.195 921 L C 1.060 177.827 176.870 -0.172 0.000 1.190 921 L CA 0.782 55.560 54.840 -0.104 0.000 0.933 921 L CB 1.029 43.025 42.059 -0.105 0.000 1.758 921 L HN 0.337 nan 8.230 nan 0.000 0.515 922 T N -0.309 114.111 114.554 -0.224 0.000 2.900 922 T HA 0.233 4.583 4.350 -0.000 0.000 0.303 922 T C -0.540 173.919 174.700 -0.401 0.000 1.142 922 T CA -0.646 61.293 62.100 -0.268 0.000 1.007 922 T CB 1.000 69.774 68.868 -0.157 0.000 1.156 922 T HN 0.483 nan 8.240 nan 0.000 0.490 923 N N 3.388 121.839 118.700 -0.414 0.000 2.739 923 N HA 0.200 4.940 4.740 -0.000 0.000 0.266 923 N C -0.629 174.807 175.510 -0.124 0.000 1.168 923 N CA -0.353 52.467 53.050 -0.383 0.000 1.055 923 N CB -0.297 37.967 38.487 -0.370 0.000 1.393 923 N HN 0.705 nan 8.380 nan 0.000 0.514 924 D N -0.705 119.690 120.400 -0.007 0.000 2.616 924 D HA 0.186 4.826 4.640 -0.000 0.000 0.260 924 D C 1.330 177.698 176.300 0.114 0.000 1.158 924 D CA -0.806 53.220 54.000 0.044 0.000 1.085 924 D CB 0.180 41.015 40.800 0.058 0.000 1.222 924 D HN -0.069 nan 8.370 nan 0.000 0.626 925 V N -0.795 119.131 119.914 0.021 0.000 2.252 925 V HA -0.323 3.797 4.120 -0.000 0.000 0.249 925 V C 2.135 178.118 176.094 -0.186 0.000 1.056 925 V CA 1.797 64.039 62.300 -0.097 0.000 1.022 925 V CB -1.081 30.532 31.823 -0.350 0.000 0.641 925 V HN 0.534 nan 8.190 nan 0.000 0.445 926 Y N -1.314 118.976 120.300 -0.016 0.000 2.256 926 Y HA -0.271 4.279 4.550 0.000 0.000 0.288 926 Y C 2.275 178.194 175.900 0.030 0.000 1.155 926 Y CA 2.040 60.118 58.100 -0.036 0.000 1.203 926 Y CB -0.523 37.948 38.460 0.019 0.000 0.980 926 Y HN 0.257 nan 8.280 nan 0.000 0.530 927 F N 1.097 121.097 119.950 0.083 0.000 2.113 927 F HA -0.238 4.289 4.527 -0.000 0.000 0.297 927 F C 2.198 178.002 175.800 0.007 0.000 1.103 927 F CA 1.691 59.709 58.000 0.029 0.000 1.248 927 F CB -0.489 38.502 39.000 -0.016 0.000 0.999 927 F HN -0.005 nan 8.300 nan 0.000 0.475 928 Q N -0.375 119.447 119.800 0.037 0.000 2.084 928 Q HA -0.147 4.193 4.340 -0.000 0.000 0.202 928 Q C 2.211 178.164 176.000 -0.080 0.000 0.978 928 Q CA 1.999 57.773 55.803 -0.048 0.000 0.844 928 Q CB -0.370 28.409 28.738 0.068 0.000 0.898 928 Q HN 0.342 nan 8.270 nan 0.000 0.426 929 V N 0.136 120.012 119.914 -0.064 0.000 2.515 929 V HA -0.152 3.968 4.120 -0.000 0.000 0.250 929 V C 2.130 178.260 176.094 0.061 0.000 1.058 929 V CA 1.773 64.065 62.300 -0.014 0.000 1.064 929 V CB -1.113 30.558 31.823 -0.253 0.000 0.675 929 V HN 0.523 nan 8.190 nan 0.000 0.461 930 G N -0.077 108.719 108.800 -0.007 0.000 2.418 930 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.217 930 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.217 930 G C 1.605 176.461 174.900 -0.074 0.000 1.158 930 G CA 0.803 45.904 45.100 0.002 0.000 0.771 930 G HN 0.441 nan 8.290 nan 0.000 0.545 931 L N -0.067 121.010 121.223 -0.243 0.000 1.989 931 L HA -0.082 4.258 4.340 -0.000 0.000 0.211 931 L C 2.959 179.769 176.870 -0.100 0.000 1.071 931 L CA 0.899 55.594 54.840 -0.241 0.000 0.749 931 L CB -0.427 41.437 42.059 -0.326 0.000 0.890 931 L HN 0.197 nan 8.230 nan 0.000 0.431 932 L N -1.039 120.141 121.223 -0.073 0.000 2.042 932 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 932 L C 2.583 179.473 176.870 0.034 0.000 1.076 932 L CA 1.630 56.406 54.840 -0.107 0.000 0.749 932 L CB -1.025 40.956 42.059 -0.129 0.000 0.893 932 L HN 0.304 nan 8.230 nan 0.000 0.432 933 T N -1.190 113.523 114.554 0.265 0.000 2.708 933 T HA -0.174 4.176 4.350 -0.000 0.000 0.266 933 T C 1.919 176.750 174.700 0.219 0.000 1.037 933 T CA 1.919 64.230 62.100 0.352 0.000 1.146 933 T CB -0.305 68.754 68.868 0.319 0.000 0.865 933 T HN 0.376 nan 8.240 nan 0.000 0.435 934 T N 2.289 116.931 114.554 0.148 0.000 2.708 934 T HA -0.014 4.336 4.350 -0.000 0.000 0.266 934 T C 1.993 176.743 174.700 0.083 0.000 1.037 934 T CA 1.089 63.262 62.100 0.121 0.000 1.146 934 T CB -0.485 68.416 68.868 0.055 0.000 0.865 934 T HN 0.332 nan 8.240 nan 0.000 0.435 935 I N 1.334 121.921 120.570 0.029 0.000 2.264 935 I HA -0.117 4.053 4.170 -0.000 0.000 0.248 935 I C 2.843 178.970 176.117 0.017 0.000 1.111 935 I CA 1.214 62.515 61.300 0.002 0.000 1.382 935 I CB -0.876 37.084 38.000 -0.066 0.000 1.060 935 I HN 0.307 nan 8.210 nan 0.000 0.418 936 G N 1.130 109.949 108.800 0.033 0.000 2.545 936 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.217 936 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.217 936 G C 1.710 176.662 174.900 0.087 0.000 1.218 936 G CA 0.714 45.862 45.100 0.080 0.000 0.787 936 G HN 0.279 nan 8.290 nan 0.000 0.571 937 L N 0.484 121.763 121.223 0.094 0.000 2.079 937 L HA -0.131 4.209 4.340 -0.000 0.000 0.210 937 L C 3.264 180.178 176.870 0.073 0.000 1.081 937 L CA 1.385 56.266 54.840 0.068 0.000 0.752 937 L CB -0.217 41.884 42.059 0.070 0.000 0.896 937 L HN 0.222 nan 8.230 nan 0.000 0.433 938 S N -0.524 115.228 115.700 0.086 0.000 2.359 938 S HA -0.241 4.229 4.470 -0.000 0.000 0.224 938 S C 2.092 176.746 174.600 0.090 0.000 1.035 938 S CA 1.304 59.561 58.200 0.094 0.000 1.018 938 S CB -0.353 62.904 63.200 0.096 0.000 0.876 938 S HN 0.583 nan 8.310 nan 0.000 0.448 939 A N 1.509 124.373 122.820 0.073 0.000 1.877 939 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 939 A C 2.004 179.633 177.584 0.076 0.000 1.186 939 A CA 2.123 54.204 52.037 0.074 0.000 0.620 939 A CB -0.628 18.403 19.000 0.052 0.000 0.822 939 A HN 0.430 nan 8.150 nan 0.000 0.443 940 K N 0.067 120.504 120.400 0.061 0.000 2.074 940 K HA -0.190 4.130 4.320 -0.000 0.000 0.209 940 K C 1.739 178.364 176.600 0.040 0.000 1.048 940 K CA 1.940 58.255 56.287 0.047 0.000 0.926 940 K CB -0.233 32.286 32.500 0.032 0.000 0.713 940 K HN 0.466 nan 8.250 nan 0.000 0.444 941 N N 0.102 118.828 118.700 0.044 0.000 2.142 941 N HA -0.110 4.630 4.740 -0.000 0.000 0.186 941 N C 1.567 177.103 175.510 0.043 0.000 1.023 941 N CA 1.536 54.604 53.050 0.030 0.000 0.852 941 N CB -0.490 38.025 38.487 0.047 0.000 0.998 941 N HN 0.338 nan 8.380 nan 0.000 0.424 942 A N 0.852 123.724 122.820 0.087 0.000 1.897 942 A HA 0.026 4.346 4.320 -0.000 0.000 0.215 942 A C 2.331 179.994 177.584 0.133 0.000 1.181 942 A CA 0.667 52.776 52.037 0.121 0.000 0.620 942 A CB -0.630 18.468 19.000 0.165 0.000 0.821 942 A HN 0.188 nan 8.150 nan 0.000 0.443 943 I N -0.237 120.420 120.570 0.145 0.000 2.151 943 I HA -0.304 3.866 4.170 -0.000 0.000 0.243 943 I C 2.410 178.646 176.117 0.199 0.000 1.080 943 I CA 1.330 62.752 61.300 0.203 0.000 1.339 943 I CB -0.269 37.810 38.000 0.131 0.000 1.039 943 I HN 0.303 nan 8.210 nan 0.000 0.409 944 L N -0.077 121.215 121.223 0.115 0.000 2.072 944 L HA -0.184 4.156 4.340 -0.000 0.000 0.205 944 L C 2.478 179.391 176.870 0.072 0.000 1.079 944 L CA 1.308 56.214 54.840 0.109 0.000 0.752 944 L CB -0.359 41.697 42.059 -0.005 0.000 0.906 944 L HN 0.192 nan 8.230 nan 0.000 0.436 945 I N -0.968 119.586 120.570 -0.028 0.000 2.179 945 I HA -0.283 3.887 4.170 -0.000 0.000 0.242 945 I C 2.458 178.521 176.117 -0.090 0.000 1.088 945 I CA 1.118 62.365 61.300 -0.088 0.000 1.357 945 I CB -0.264 37.683 38.000 -0.088 0.000 1.051 945 I HN -0.011 nan 8.210 nan 0.000 0.409 946 V N 0.686 120.566 119.914 -0.056 0.000 2.287 946 V HA -0.313 3.807 4.120 -0.000 0.000 0.248 946 V C 2.531 178.573 176.094 -0.087 0.000 1.053 946 V CA 2.261 64.460 62.300 -0.169 0.000 1.027 946 V CB -0.614 31.239 31.823 0.050 0.000 0.646 946 V HN 0.450 nan 8.190 nan 0.000 0.447 947 E N 0.183 120.489 120.200 0.176 0.000 2.070 947 E HA -0.247 4.103 4.350 -0.000 0.000 0.197 947 E C 1.882 178.572 176.600 0.151 0.000 1.004 947 E CA 1.901 58.463 56.400 0.269 0.000 0.805 947 E CB -0.437 29.459 29.700 0.326 0.000 0.744 947 E HN 0.507 nan 8.360 nan 0.000 0.451 948 F N 0.289 120.202 119.950 -0.062 0.000 2.171 948 F HA -0.053 4.474 4.527 -0.000 0.000 0.300 948 F C 2.309 178.029 175.800 -0.132 0.000 1.090 948 F CA 1.221 59.172 58.000 -0.082 0.000 1.293 948 F CB -0.871 38.081 39.000 -0.081 0.000 1.013 948 F HN 0.173 nan 8.300 nan 0.000 0.486 949 A N -0.510 122.264 122.820 -0.078 0.000 1.873 949 A HA -0.192 4.128 4.320 -0.000 0.000 0.215 949 A C 2.178 179.682 177.584 -0.134 0.000 1.186 949 A CA 1.745 53.635 52.037 -0.244 0.000 0.616 949 A CB -0.583 17.985 19.000 -0.721 0.000 0.823 949 A HN 0.183 nan 8.150 nan 0.000 0.442 950 K N 0.620 120.967 120.400 -0.087 0.000 2.057 950 K HA -0.134 4.186 4.320 -0.000 0.000 0.207 950 K C 1.042 177.646 176.600 0.006 0.000 1.049 950 K CA 1.849 58.167 56.287 0.051 0.000 0.931 950 K CB -0.532 32.014 32.500 0.076 0.000 0.714 950 K HN 0.372 nan 8.250 nan 0.000 0.440 951 D N -0.113 120.269 120.400 -0.030 0.000 2.378 951 D HA -0.055 4.585 4.640 -0.000 0.000 0.222 951 D C 1.393 177.648 176.300 -0.075 0.000 0.980 951 D CA 0.652 54.610 54.000 -0.070 0.000 0.907 951 D CB 0.236 40.946 40.800 -0.150 0.000 0.899 951 D HN 0.274 nan 8.370 nan 0.000 0.527 952 L N -0.930 120.259 121.223 -0.056 0.000 2.470 952 L HA 0.201 4.541 4.340 -0.000 0.000 0.219 952 L C 2.231 179.089 176.870 -0.019 0.000 1.071 952 L CA 0.050 54.865 54.840 -0.041 0.000 0.850 952 L CB 0.022 42.060 42.059 -0.035 0.000 1.040 952 L HN -0.076 nan 8.230 nan 0.000 0.475 953 M N -0.041 119.556 119.600 -0.005 0.000 2.254 953 M HA -0.118 4.362 4.480 -0.000 0.000 0.265 953 M C 0.560 176.856 176.300 -0.006 0.000 1.066 953 M CA 1.708 57.013 55.300 0.008 0.000 1.123 953 M CB 0.184 32.808 32.600 0.040 0.000 1.388 953 M HN 0.095 nan 8.290 nan 0.000 0.425 954 D N -0.959 119.433 120.400 -0.013 0.000 2.395 954 D HA 0.071 4.711 4.640 -0.000 0.000 0.213 954 D C 1.148 177.435 176.300 -0.023 0.000 1.110 954 D CA 0.366 54.355 54.000 -0.019 0.000 0.835 954 D CB 0.526 41.315 40.800 -0.019 0.000 0.965 954 D HN 0.220 nan 8.370 nan 0.000 0.505 955 K N -0.683 119.701 120.400 -0.027 0.000 2.826 955 K HA 0.171 4.491 4.320 -0.000 0.000 0.195 955 K C 1.180 177.762 176.600 -0.030 0.000 1.516 955 K CA 0.030 56.298 56.287 -0.033 0.000 1.213 955 K CB 0.772 33.243 32.500 -0.049 0.000 1.762 955 K HN -0.172 nan 8.250 nan 0.000 0.583 956 E N -0.755 119.427 120.200 -0.030 0.000 2.079 956 E HA 0.110 4.460 4.350 -0.000 0.000 0.191 956 E C 0.735 177.327 176.600 -0.014 0.000 0.961 956 E CA 1.012 57.398 56.400 -0.024 0.000 0.823 956 E CB 0.857 30.540 29.700 -0.027 0.000 0.789 956 E HN 0.465 nan 8.360 nan 0.000 0.459 957 G N 1.006 109.799 108.800 -0.011 0.000 2.672 957 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.197 957 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.197 957 G C -0.109 174.790 174.900 -0.001 0.000 0.995 957 G CA -0.468 44.629 45.100 -0.005 0.000 0.754 957 G HN -0.019 nan 8.290 nan 0.000 0.505 958 K N 1.567 121.966 120.400 -0.002 0.000 2.527 958 K HA 0.466 4.786 4.320 -0.000 0.000 0.278 958 K C 1.301 177.906 176.600 0.008 0.000 0.981 958 K CA 0.947 57.235 56.287 0.001 0.000 1.009 958 K CB 0.458 32.957 32.500 -0.003 0.000 0.895 958 K HN 0.425 nan 8.250 nan 0.000 0.493 959 G N 1.752 110.558 108.800 0.011 0.000 2.664 959 G HA2 0.032 3.992 3.960 -0.000 0.000 0.242 959 G HA3 0.032 3.992 3.960 -0.000 0.000 0.242 959 G C 0.870 175.790 174.900 0.032 0.000 1.225 959 G CA -0.480 44.632 45.100 0.019 0.000 0.849 959 G HN 0.641 nan 8.290 nan 0.000 0.581 960 L N 1.711 122.963 121.223 0.049 0.000 1.978 960 L HA -0.225 4.115 4.340 -0.000 0.000 0.218 960 L C 2.581 179.503 176.870 0.087 0.000 1.075 960 L CA 2.556 57.452 54.840 0.093 0.000 0.767 960 L CB -0.571 41.536 42.059 0.081 0.000 0.890 960 L HN 0.624 nan 8.230 nan 0.000 0.434 961 I N -1.233 119.368 120.570 0.052 0.000 2.394 961 I HA -0.161 4.009 4.170 -0.000 0.000 0.251 961 I C 2.429 178.549 176.117 0.004 0.000 1.136 961 I CA 1.623 62.940 61.300 0.028 0.000 1.425 961 I CB -1.439 36.570 38.000 0.015 0.000 1.079 961 I HN 0.460 nan 8.210 nan 0.000 0.425 962 E N 1.332 121.534 120.200 0.004 0.000 2.072 962 E HA -0.122 4.228 4.350 -0.000 0.000 0.190 962 E C 2.319 178.910 176.600 -0.015 0.000 0.982 962 E CA 1.079 57.474 56.400 -0.008 0.000 0.803 962 E CB -0.078 29.620 29.700 -0.004 0.000 0.755 962 E HN 0.542 nan 8.360 nan 0.000 0.453 963 A N 0.452 123.267 122.820 -0.008 0.000 1.929 963 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 963 A C 2.362 179.906 177.584 -0.067 0.000 1.176 963 A CA 1.881 53.903 52.037 -0.025 0.000 0.628 963 A CB -0.930 18.062 19.000 -0.013 0.000 0.816 963 A HN 0.461 nan 8.150 nan 0.000 0.444 964 T N -1.064 113.443 114.554 -0.079 0.000 2.867 964 T HA -0.030 4.320 4.350 -0.000 0.000 0.268 964 T C 1.782 176.423 174.700 -0.099 0.000 1.057 964 T CA 1.300 63.318 62.100 -0.136 0.000 1.136 964 T CB -0.420 68.398 68.868 -0.084 0.000 0.874 964 T HN 0.284 nan 8.240 nan 0.000 0.466 965 L N 0.756 121.940 121.223 -0.066 0.000 2.072 965 L HA -0.029 4.311 4.340 -0.000 0.000 0.205 965 L C 2.711 179.547 176.870 -0.058 0.000 1.079 965 L CA 1.277 56.078 54.840 -0.066 0.000 0.752 965 L CB -0.471 41.553 42.059 -0.059 0.000 0.906 965 L HN 0.148 nan 8.230 nan 0.000 0.436 966 D N 0.157 120.534 120.400 -0.038 0.000 2.117 966 D HA -0.168 4.472 4.640 -0.000 0.000 0.197 966 D C 2.156 178.459 176.300 0.005 0.000 0.987 966 D CA 1.523 55.517 54.000 -0.010 0.000 0.829 966 D CB 0.016 40.821 40.800 0.007 0.000 0.961 966 D HN 0.312 nan 8.370 nan 0.000 0.460 967 A N 0.761 123.573 122.820 -0.012 0.000 1.835 967 A HA -0.160 4.160 4.320 -0.000 0.000 0.215 967 A C 2.468 179.997 177.584 -0.091 0.000 1.199 967 A CA 1.650 53.681 52.037 -0.010 0.000 0.615 967 A CB -1.131 17.830 19.000 -0.065 0.000 0.838 967 A HN 0.168 nan 8.150 nan 0.000 0.444 968 V N 0.443 120.292 119.914 -0.108 0.000 2.453 968 V HA -0.251 3.869 4.120 -0.000 0.000 0.252 968 V C 2.637 178.678 176.094 -0.089 0.000 1.068 968 V CA 2.586 64.816 62.300 -0.117 0.000 1.070 968 V CB -0.769 30.977 31.823 -0.127 0.000 0.664 968 V HN 0.626 nan 8.190 nan 0.000 0.461 969 R N 0.523 120.987 120.500 -0.061 0.000 2.062 969 R HA -0.115 4.225 4.340 -0.000 0.000 0.231 969 R C 2.242 178.530 176.300 -0.021 0.000 1.136 969 R CA 2.331 58.414 56.100 -0.029 0.000 0.948 969 R CB -0.572 29.714 30.300 -0.024 0.000 0.845 969 R HN 0.719 nan 8.270 nan 0.000 0.430 970 M N -0.695 118.891 119.600 -0.024 0.000 2.659 970 M HA 0.076 4.556 4.480 -0.000 0.000 0.243 970 M C 0.899 177.115 176.300 -0.141 0.000 1.111 970 M CA 1.198 56.485 55.300 -0.021 0.000 1.070 970 M CB 0.101 32.742 32.600 0.068 0.000 1.525 970 M HN -0.083 nan 8.290 nan 0.000 0.517 971 R N 0.485 120.863 120.500 -0.203 0.000 2.373 971 R HA 0.268 4.608 4.340 -0.000 0.000 0.221 971 R C 2.137 178.337 176.300 -0.165 0.000 0.893 971 R CA 0.003 55.935 56.100 -0.280 0.000 1.049 971 R CB 0.100 30.161 30.300 -0.398 0.000 1.119 971 R HN 0.403 nan 8.270 nan 0.000 0.535 972 L N 1.540 122.704 121.223 -0.098 0.000 2.046 972 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 972 L C 2.336 179.181 176.870 -0.042 0.000 1.077 972 L CA 1.750 56.563 54.840 -0.046 0.000 0.747 972 L CB -0.443 41.612 42.059 -0.007 0.000 0.896 972 L HN 0.148 nan 8.230 nan 0.000 0.432 973 R N 0.407 120.874 120.500 -0.055 0.000 2.082 973 R HA -0.144 4.196 4.340 -0.000 0.000 0.234 973 R C -0.347 175.774 176.300 -0.299 0.000 1.136 973 R CA 2.201 58.231 56.100 -0.116 0.000 0.935 973 R CB -1.338 28.920 30.300 -0.070 0.000 0.842 973 R HN 0.365 nan 8.270 nan 0.000 0.430 974 P HA -0.114 nan 4.420 nan 0.000 0.217 974 P C 1.497 178.689 177.300 -0.179 0.000 1.151 974 P CA 1.017 63.968 63.100 -0.248 0.000 0.828 974 P CB -0.197 31.389 31.700 -0.191 0.000 0.788 975 I N -0.720 119.775 120.570 -0.125 0.000 2.208 975 I HA -0.195 3.975 4.170 -0.000 0.000 0.245 975 I C 2.354 178.454 176.117 -0.028 0.000 1.097 975 I CA 1.238 62.503 61.300 -0.059 0.000 1.363 975 I CB -1.808 36.172 38.000 -0.033 0.000 1.051 975 I HN -0.050 nan 8.210 nan 0.000 0.413 976 L N -0.434 120.767 121.223 -0.036 0.000 2.156 976 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 976 L C 2.571 179.406 176.870 -0.058 0.000 1.095 976 L CA 1.483 56.337 54.840 0.023 0.000 0.770 976 L CB -0.640 41.498 42.059 0.132 0.000 0.914 976 L HN 0.155 nan 8.230 nan 0.000 0.439 977 M N -1.671 117.764 119.600 -0.276 0.000 2.077 977 M HA -0.191 4.289 4.480 -0.000 0.000 0.261 977 M C 2.150 178.376 176.300 -0.124 0.000 1.070 977 M CA 1.906 56.992 55.300 -0.357 0.000 1.125 977 M CB -0.600 31.649 32.600 -0.586 0.000 1.339 977 M HN 0.187 nan 8.290 nan 0.000 0.409 978 T N 0.211 114.710 114.554 -0.091 0.000 2.708 978 T HA -0.108 4.242 4.350 -0.000 0.000 0.266 978 T C 1.930 176.677 174.700 0.078 0.000 1.037 978 T CA 1.814 63.902 62.100 -0.019 0.000 1.146 978 T CB -0.188 68.657 68.868 -0.038 0.000 0.865 978 T HN 0.334 nan 8.240 nan 0.000 0.435 979 S N 1.010 116.764 115.700 0.090 0.000 2.406 979 S HA 0.047 4.517 4.470 -0.000 0.000 0.228 979 S C 1.878 176.570 174.600 0.153 0.000 1.020 979 S CA 0.335 58.629 58.200 0.156 0.000 0.965 979 S CB -0.354 62.925 63.200 0.132 0.000 0.798 979 S HN 0.211 nan 8.310 nan 0.000 0.488 980 L N 2.039 123.337 121.223 0.125 0.000 2.017 980 L HA 0.004 4.344 4.340 -0.000 0.000 0.208 980 L C 2.390 179.342 176.870 0.137 0.000 1.073 980 L CA 1.905 56.826 54.840 0.134 0.000 0.745 980 L CB -1.003 41.151 42.059 0.158 0.000 0.894 980 L HN 0.255 nan 8.230 nan 0.000 0.432 981 A N -1.394 121.510 122.820 0.140 0.000 1.930 981 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 981 A C 2.225 179.938 177.584 0.216 0.000 1.175 981 A CA 1.713 53.843 52.037 0.154 0.000 0.627 981 A CB -1.013 18.063 19.000 0.127 0.000 0.815 981 A HN 0.496 nan 8.150 nan 0.000 0.443 982 F N 0.391 120.369 119.950 0.046 0.000 2.206 982 F HA 0.001 4.528 4.527 -0.000 0.000 0.298 982 F C 1.896 177.728 175.800 0.055 0.000 1.090 982 F CA 0.647 58.675 58.000 0.047 0.000 1.323 982 F CB -0.376 38.649 39.000 0.042 0.000 1.028 982 F HN 0.159 nan 8.300 nan 0.000 0.492 983 I N -0.251 120.325 120.570 0.009 0.000 2.142 983 I HA -0.332 3.838 4.170 -0.000 0.000 0.240 983 I C 2.340 178.432 176.117 -0.041 0.000 1.078 983 I CA 1.332 62.583 61.300 -0.082 0.000 1.343 983 I CB -0.539 37.462 38.000 0.002 0.000 1.046 983 I HN 0.069 nan 8.210 nan 0.000 0.405 984 L N 0.233 121.475 121.223 0.032 0.000 2.191 984 L HA -0.132 4.208 4.340 -0.000 0.000 0.212 984 L C 2.514 179.408 176.870 0.040 0.000 1.103 984 L CA 1.312 56.179 54.840 0.044 0.000 0.769 984 L CB -0.899 41.206 42.059 0.075 0.000 0.908 984 L HN 0.335 nan 8.230 nan 0.000 0.438 985 G N -1.096 107.736 108.800 0.053 0.000 2.421 985 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.217 985 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.217 985 G C 1.510 176.420 174.900 0.017 0.000 1.143 985 G CA 0.431 45.570 45.100 0.065 0.000 0.784 985 G HN 0.193 nan 8.290 nan 0.000 0.541 986 V N 1.095 120.971 119.914 -0.063 0.000 3.129 986 V HA -0.015 4.105 4.120 -0.000 0.000 0.259 986 V C 2.523 178.591 176.094 -0.043 0.000 1.116 986 V CA 1.296 63.540 62.300 -0.093 0.000 1.127 986 V CB -0.007 31.661 31.823 -0.259 0.000 0.742 986 V HN 0.498 nan 8.190 nan 0.000 0.474 987 M N 1.350 120.935 119.600 -0.026 0.000 2.151 987 M HA -0.227 4.253 4.480 -0.000 0.000 0.256 987 M C -0.459 175.845 176.300 0.008 0.000 1.072 987 M CA 2.726 58.024 55.300 -0.003 0.000 1.090 987 M CB -1.212 31.395 32.600 0.012 0.000 1.294 987 M HN 0.250 nan 8.290 nan 0.000 0.415 988 P HA -0.060 nan 4.420 nan 0.000 0.221 988 P C 1.483 178.793 177.300 0.018 0.000 1.150 988 P CA 1.139 64.250 63.100 0.017 0.000 0.800 988 P CB -0.216 31.495 31.700 0.017 0.000 0.787 989 L N -1.492 119.743 121.223 0.019 0.000 2.093 989 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 989 L C 2.278 179.154 176.870 0.011 0.000 1.085 989 L CA 1.079 55.934 54.840 0.025 0.000 0.755 989 L CB -1.020 41.066 42.059 0.045 0.000 0.904 989 L HN -0.126 nan 8.230 nan 0.000 0.435 990 V N 0.154 120.072 119.914 0.007 0.000 2.307 990 V HA -0.162 3.958 4.120 -0.000 0.000 0.245 990 V C 1.463 177.565 176.094 0.012 0.000 1.045 990 V CA 1.060 63.365 62.300 0.008 0.000 1.024 990 V CB -0.208 31.620 31.823 0.008 0.000 0.651 990 V HN 0.277 nan 8.190 nan 0.000 0.449 991 I N 1.124 121.703 120.570 0.015 0.000 2.410 991 I HA 0.281 4.451 4.170 -0.000 0.000 0.288 991 I C 0.277 176.404 176.117 0.018 0.000 1.106 991 I CA 0.662 61.972 61.300 0.018 0.000 1.389 991 I CB -0.391 37.622 38.000 0.021 0.000 1.561 991 I HN 0.170 nan 8.210 nan 0.000 0.605 992 S N 2.255 117.963 115.700 0.014 0.000 2.482 992 S HA 0.721 5.191 4.470 -0.000 0.000 0.303 992 S C 0.162 174.768 174.600 0.011 0.000 1.091 992 S CA -0.139 58.069 58.200 0.012 0.000 1.057 992 S CB 1.609 64.813 63.200 0.007 0.000 1.031 992 S HN 0.467 nan 8.310 nan 0.000 0.485 993 T N 2.552 117.115 114.554 0.016 0.000 2.797 993 T HA 0.892 5.242 4.350 -0.000 0.000 0.267 993 T C 0.728 175.430 174.700 0.003 0.000 0.986 993 T CA 0.066 62.178 62.100 0.020 0.000 0.999 993 T CB 0.283 69.174 68.868 0.038 0.000 1.508 993 T HN 1.558 nan 8.240 nan 0.000 0.595 994 G N 0.420 109.228 108.800 0.014 0.000 2.750 994 G HA2 0.222 4.182 3.960 -0.000 0.000 0.228 994 G HA3 0.222 4.182 3.960 -0.000 0.000 0.228 994 G C -0.019 174.771 174.900 -0.183 0.000 1.367 994 G CA -0.470 44.607 45.100 -0.039 0.000 0.871 994 G HN 1.294 nan 8.290 nan 0.000 0.560 995 A N -0.373 122.126 122.820 -0.536 0.000 2.488 995 A HA 0.661 4.981 4.320 -0.000 0.000 0.249 995 A C 1.989 179.349 177.584 -0.373 0.000 1.083 995 A CA 2.044 53.693 52.037 -0.646 0.000 0.768 995 A CB -0.140 17.900 19.000 -1.601 0.000 1.017 995 A HN 2.949 nan 8.150 nan 0.000 0.496 996 G N 1.363 110.083 108.800 -0.132 0.000 2.176 996 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.253 996 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.253 996 G C 1.271 176.144 174.900 -0.045 0.000 0.979 996 G CA 1.190 46.213 45.100 -0.128 0.000 0.641 996 G HN 1.940 nan 8.290 nan 0.000 0.530 997 S N -0.003 115.675 115.700 -0.037 0.000 2.402 997 S HA 0.129 4.599 4.470 -0.000 0.000 0.229 997 S C 2.528 177.103 174.600 -0.042 0.000 1.021 997 S CA 1.610 59.790 58.200 -0.033 0.000 0.974 997 S CB -0.782 62.408 63.200 -0.016 0.000 0.800 997 S HN 1.575 nan 8.310 nan 0.000 0.484 998 G N 1.864 110.659 108.800 -0.007 0.000 2.476 998 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.218 998 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.218 998 G C 1.672 176.513 174.900 -0.099 0.000 1.164 998 G CA 1.087 46.184 45.100 -0.005 0.000 0.768 998 G HN 0.791 nan 8.290 nan 0.000 0.560 999 A N 0.121 122.807 122.820 -0.224 0.000 1.873 999 A HA -0.018 4.302 4.320 -0.000 0.000 0.215 999 A C 2.341 179.447 177.584 -0.796 0.000 1.186 999 A CA 1.867 53.475 52.037 -0.714 0.000 0.616 999 A CB -0.457 17.954 19.000 -0.982 0.000 0.823 999 A HN 0.441 nan 8.150 nan 0.000 0.442 1000 Q N -0.118 119.398 119.800 -0.474 0.000 2.061 1000 Q HA -0.216 4.124 4.340 -0.000 0.000 0.204 1000 Q C 1.928 177.848 176.000 -0.132 0.000 0.984 1000 Q CA 1.921 57.596 55.803 -0.213 0.000 0.846 1000 Q CB -0.322 28.412 28.738 -0.008 0.000 0.902 1000 Q HN 0.818 nan 8.270 nan 0.000 0.421 1001 N N 0.158 118.796 118.700 -0.103 0.000 2.142 1001 N HA -0.130 4.610 4.740 -0.000 0.000 0.186 1001 N C 1.794 177.287 175.510 -0.029 0.000 1.023 1001 N CA 0.715 53.739 53.050 -0.044 0.000 0.852 1001 N CB -0.138 38.334 38.487 -0.024 0.000 0.998 1001 N HN 0.189 nan 8.380 nan 0.000 0.424 1002 A N 1.021 123.805 122.820 -0.061 0.000 1.883 1002 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 1002 A C 2.446 180.073 177.584 0.072 0.000 1.186 1002 A CA 1.260 53.316 52.037 0.031 0.000 0.624 1002 A CB -0.902 18.142 19.000 0.073 0.000 0.822 1002 A HN 0.093 nan 8.150 nan 0.000 0.444 1003 V N -0.149 119.724 119.914 -0.068 0.000 2.261 1003 V HA -0.184 3.936 4.120 -0.000 0.000 0.246 1003 V C 2.809 178.932 176.094 0.048 0.000 1.047 1003 V CA 2.110 64.422 62.300 0.019 0.000 1.015 1003 V CB -1.518 30.286 31.823 -0.032 0.000 0.642 1003 V HN 0.628 nan 8.190 nan 0.000 0.446 1004 G N -0.532 108.276 108.800 0.013 0.000 2.524 1004 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.215 1004 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.215 1004 G C 1.678 176.586 174.900 0.013 0.000 1.239 1004 G CA 1.619 46.721 45.100 0.004 0.000 0.798 1004 G HN 0.434 nan 8.290 nan 0.000 0.557 1005 T N 1.154 115.731 114.554 0.039 0.000 2.592 1005 T HA -0.184 4.166 4.350 -0.000 0.000 0.267 1005 T C 2.445 177.203 174.700 0.098 0.000 1.060 1005 T CA 2.076 64.214 62.100 0.062 0.000 1.167 1005 T CB -1.021 67.889 68.868 0.071 0.000 0.863 1005 T HN 0.416 nan 8.240 nan 0.000 0.431 1006 G N 0.665 109.572 108.800 0.179 0.000 2.469 1006 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.219 1006 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.219 1006 G C 1.733 176.652 174.900 0.033 0.000 1.150 1006 G CA 1.115 46.334 45.100 0.199 0.000 0.763 1006 G HN 0.460 nan 8.290 nan 0.000 0.561 1007 V N 0.833 120.750 119.914 0.004 0.000 2.307 1007 V HA -0.176 3.943 4.120 -0.000 0.000 0.245 1007 V C 2.657 178.700 176.094 -0.085 0.000 1.045 1007 V CA 2.202 64.475 62.300 -0.045 0.000 1.024 1007 V CB -0.413 31.361 31.823 -0.082 0.000 0.651 1007 V HN 0.520 nan 8.190 nan 0.000 0.449 1008 M N 0.619 120.164 119.600 -0.091 0.000 2.065 1008 M HA -0.134 4.346 4.480 -0.000 0.000 0.259 1008 M C 2.085 178.374 176.300 -0.017 0.000 1.071 1008 M CA 2.624 57.876 55.300 -0.080 0.000 1.109 1008 M CB -0.787 31.781 32.600 -0.053 0.000 1.313 1008 M HN 0.350 nan 8.290 nan 0.000 0.408 1009 G N -1.077 107.731 108.800 0.013 0.000 2.442 1009 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.219 1009 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.219 1009 G C 1.391 176.312 174.900 0.034 0.000 1.141 1009 G CA 0.870 45.987 45.100 0.029 0.000 0.763 1009 G HN 0.652 nan 8.290 nan 0.000 0.554 1010 G N 0.322 109.140 108.800 0.030 0.000 2.402 1010 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.216 1010 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.216 1010 G C 1.803 176.738 174.900 0.058 0.000 1.162 1010 G CA 0.893 46.013 45.100 0.034 0.000 0.777 1010 G HN 0.274 nan 8.290 nan 0.000 0.539 1011 M N 0.406 120.040 119.600 0.056 0.000 2.254 1011 M HA 0.052 4.532 4.480 -0.000 0.000 0.265 1011 M C 2.738 179.094 176.300 0.092 0.000 1.066 1011 M CA 0.587 55.943 55.300 0.093 0.000 1.123 1011 M CB -0.634 32.017 32.600 0.085 0.000 1.388 1011 M HN 0.110 nan 8.290 nan 0.000 0.425 1012 V N 0.635 120.590 119.914 0.068 0.000 2.295 1012 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 1012 V C 2.640 178.793 176.094 0.098 0.000 1.049 1012 V CA 2.344 64.691 62.300 0.079 0.000 1.024 1012 V CB -1.284 30.574 31.823 0.058 0.000 0.648 1012 V HN 0.595 nan 8.190 nan 0.000 0.447 1013 T N -1.389 113.218 114.554 0.089 0.000 2.809 1013 T HA -0.038 4.312 4.350 -0.000 0.000 0.260 1013 T C 2.017 176.798 174.700 0.135 0.000 1.039 1013 T CA 1.240 63.403 62.100 0.105 0.000 1.141 1013 T CB -0.540 68.375 68.868 0.079 0.000 0.869 1013 T HN 0.429 nan 8.240 nan 0.000 0.437 1014 A N 2.296 125.190 122.820 0.122 0.000 1.940 1014 A HA -0.182 4.138 4.320 -0.000 0.000 0.221 1014 A C 2.736 180.416 177.584 0.159 0.000 1.190 1014 A CA 3.198 55.317 52.037 0.138 0.000 0.647 1014 A CB -1.650 17.424 19.000 0.123 0.000 0.821 1014 A HN 0.820 nan 8.150 nan 0.000 0.457 1015 T N -3.709 110.936 114.554 0.152 0.000 2.866 1015 T HA 0.008 4.358 4.350 -0.000 0.000 0.250 1015 T C 1.674 176.484 174.700 0.184 0.000 1.033 1015 T CA 1.162 63.353 62.100 0.151 0.000 1.145 1015 T CB -0.802 68.148 68.868 0.136 0.000 0.866 1015 T HN 0.078 nan 8.240 nan 0.000 0.434 1016 V N 1.296 121.332 119.914 0.203 0.000 2.469 1016 V HA -0.036 4.084 4.120 -0.000 0.000 0.251 1016 V C 2.565 178.868 176.094 0.349 0.000 1.064 1016 V CA 1.295 63.753 62.300 0.265 0.000 1.066 1016 V CB -0.758 31.198 31.823 0.222 0.000 0.667 1016 V HN 0.300 nan 8.190 nan 0.000 0.461 1017 L N -0.200 121.204 121.223 0.303 0.000 2.145 1017 L HA 0.178 4.518 4.340 -0.000 0.000 0.201 1017 L C 2.502 179.629 176.870 0.429 0.000 1.075 1017 L CA 1.878 56.950 54.840 0.387 0.000 0.773 1017 L CB -0.848 41.404 42.059 0.323 0.000 0.936 1017 L HN 0.205 nan 8.230 nan 0.000 0.451 1018 A N 0.490 123.495 122.820 0.309 0.000 1.883 1018 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 1018 A C 2.158 179.839 177.584 0.161 0.000 1.186 1018 A CA 2.066 54.263 52.037 0.265 0.000 0.624 1018 A CB -1.178 17.945 19.000 0.206 0.000 0.822 1018 A HN 0.582 nan 8.150 nan 0.000 0.444 1019 I N -4.658 115.960 120.570 0.079 0.000 2.761 1019 I HA -0.182 3.988 4.170 -0.000 0.000 0.266 1019 I C 1.892 177.797 176.117 -0.353 0.000 1.239 1019 I CA 1.554 62.781 61.300 -0.122 0.000 1.451 1019 I CB -0.405 37.507 38.000 -0.147 0.000 1.096 1019 I HN 0.220 nan 8.210 nan 0.000 0.465 1020 F N -0.048 119.852 119.950 -0.082 0.000 2.399 1020 F HA 0.244 4.771 4.527 -0.000 0.000 0.282 1020 F C 1.989 177.559 175.800 -0.384 0.000 1.027 1020 F CA 0.568 58.407 58.000 -0.270 0.000 1.333 1020 F CB -0.546 38.240 39.000 -0.357 0.000 1.132 1020 F HN -0.177 nan 8.300 nan 0.000 0.590 1021 F N 0.137 120.026 119.950 -0.102 0.000 2.186 1021 F HA -0.162 4.365 4.527 -0.000 0.000 0.299 1021 F C 2.268 177.597 175.800 -0.785 0.000 1.090 1021 F CA 0.896 58.583 58.000 -0.520 0.000 1.307 1021 F CB -0.574 38.162 39.000 -0.440 0.000 1.019 1021 F HN -0.283 nan 8.300 nan 0.000 0.489 1022 V N 1.525 121.399 119.914 -0.067 0.000 2.231 1022 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 1022 V C -0.336 175.796 176.094 0.063 0.000 1.054 1022 V CA 2.318 64.707 62.300 0.148 0.000 1.015 1022 V CB -1.984 29.950 31.823 0.186 0.000 0.638 1022 V HN 0.181 nan 8.190 nan 0.000 0.444 1023 P HA -0.092 nan 4.420 nan 0.000 0.219 1023 P C 1.864 179.154 177.300 -0.017 0.000 1.146 1023 P CA 1.272 64.356 63.100 -0.027 0.000 0.808 1023 P CB -0.081 31.558 31.700 -0.102 0.000 0.779 1024 V N -0.643 119.163 119.914 -0.179 0.000 2.343 1024 V HA -0.214 3.906 4.120 -0.000 0.000 0.247 1024 V C 2.465 178.519 176.094 -0.067 0.000 1.051 1024 V CA 1.750 63.922 62.300 -0.213 0.000 1.036 1024 V CB -1.426 30.142 31.823 -0.425 0.000 0.654 1024 V HN -0.022 nan 8.190 nan 0.000 0.451 1025 F N -1.008 119.001 119.950 0.097 0.000 2.095 1025 F HA -0.217 4.309 4.527 -0.000 0.000 0.298 1025 F C 2.256 178.112 175.800 0.095 0.000 1.104 1025 F CA 1.980 60.021 58.000 0.069 0.000 1.232 1025 F CB -0.613 38.426 39.000 0.065 0.000 0.987 1025 F HN 0.129 nan 8.300 nan 0.000 0.475 1026 F N 0.960 121.010 119.950 0.167 0.000 2.069 1026 F HA -0.245 4.282 4.527 0.000 0.000 0.298 1026 F C 2.287 178.112 175.800 0.040 0.000 1.113 1026 F CA 1.572 59.616 58.000 0.073 0.000 1.214 1026 F CB -0.662 38.351 39.000 0.021 0.000 0.978 1026 F HN -0.288 nan 8.300 nan 0.000 0.474 1027 V N -0.533 119.496 119.914 0.192 0.000 2.332 1027 V HA -0.310 3.810 4.120 -0.000 0.000 0.248 1027 V C 2.332 178.435 176.094 0.015 0.000 1.055 1027 V CA 1.647 63.997 62.300 0.083 0.000 1.038 1027 V CB -0.873 31.002 31.823 0.087 0.000 0.651 1027 V HN 0.282 nan 8.190 nan 0.000 0.450 1028 V N -0.448 119.494 119.914 0.047 0.000 2.261 1028 V HA -0.221 3.899 4.120 -0.000 0.000 0.246 1028 V C 2.416 178.525 176.094 0.025 0.000 1.047 1028 V CA 1.962 64.291 62.300 0.049 0.000 1.015 1028 V CB -0.445 31.431 31.823 0.089 0.000 0.642 1028 V HN 0.389 nan 8.190 nan 0.000 0.446 1029 V N -0.039 119.882 119.914 0.012 0.000 2.261 1029 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 1029 V C 2.553 178.610 176.094 -0.062 0.000 1.047 1029 V CA 2.302 64.604 62.300 0.002 0.000 1.015 1029 V CB -0.726 31.106 31.823 0.015 0.000 0.642 1029 V HN 0.428 nan 8.190 nan 0.000 0.446 1030 R N -0.267 120.088 120.500 -0.242 0.000 2.328 1030 R HA -0.017 4.323 4.340 -0.000 0.000 0.207 1030 R C 2.192 178.436 176.300 -0.094 0.000 1.056 1030 R CA 1.035 56.958 56.100 -0.295 0.000 1.016 1030 R CB -0.399 29.537 30.300 -0.606 0.000 0.872 1030 R HN 0.430 nan 8.270 nan 0.000 0.471 1031 R N -0.579 119.904 120.500 -0.028 0.000 2.093 1031 R HA 0.125 4.465 4.340 -0.000 0.000 0.224 1031 R C 0.252 176.598 176.300 0.076 0.000 1.101 1031 R CA 0.698 56.815 56.100 0.028 0.000 0.979 1031 R CB 0.111 30.426 30.300 0.025 0.000 0.877 1031 R HN -0.001 nan 8.270 nan 0.000 0.441 1032 R N 0.681 121.234 120.500 0.088 0.000 2.429 1032 R HA 0.161 4.501 4.340 -0.000 0.000 0.302 1032 R C -1.093 175.340 176.300 0.221 0.000 1.268 1032 R CA 0.187 56.354 56.100 0.112 0.000 1.090 1032 R CB 0.026 30.376 30.300 0.083 0.000 1.102 1032 R HN 0.001 nan 8.270 nan 0.000 0.522 1033 F N 0.000 119.957 119.950 0.012 0.000 2.286 1033 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 1033 F CA 0.000 58.012 58.000 0.019 0.000 1.383 1033 F CB 0.000 39.002 39.000 0.003 0.000 1.145 1033 F HN 0.000 nan 8.300 nan 0.000 0.574