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_A 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 0.000 177.323 177.300 0.039 0.000 1.155 2 P CA 0.000 63.159 63.100 0.099 0.000 0.800 2 P CB 0.000 31.682 31.700 -0.030 0.000 0.726 3 N N -0.570 118.048 118.700 -0.138 0.000 2.354 3 N HA 0.090 4.818 4.740 -0.020 0.000 0.179 3 N C 1.858 177.267 175.510 -0.167 0.000 1.021 3 N CA 0.604 53.555 53.050 -0.164 0.000 0.887 3 N CB 0.022 38.364 38.487 -0.242 0.000 0.974 3 N HN 0.180 nan 8.380 nan 0.000 0.437 4 F N 0.438 120.244 119.950 -0.240 0.000 2.120 4 F HA -0.214 4.301 4.527 -0.020 0.000 0.300 4 F C 1.582 177.065 175.800 -0.528 0.000 1.095 4 F CA 1.133 58.826 58.000 -0.512 0.000 1.249 4 F CB -0.231 38.208 39.000 -0.934 0.000 0.995 4 F HN 0.017 nan 8.300 nan 0.000 0.480 5 F N -0.465 119.529 119.950 0.074 0.000 2.619 5 F HA 0.068 4.583 4.527 -0.020 0.000 0.293 5 F C 2.092 177.917 175.800 0.042 0.000 1.119 5 F CA 0.196 58.217 58.000 0.034 0.000 1.445 5 F CB -0.461 38.545 39.000 0.011 0.000 1.119 5 F HN -0.090 nan 8.300 nan 0.000 0.573 6 I N -2.060 118.608 120.570 0.162 0.000 2.614 6 I HA -0.112 4.046 4.170 -0.020 0.000 0.258 6 I C 0.997 177.165 176.117 0.086 0.000 1.189 6 I CA 1.471 62.834 61.300 0.104 0.000 1.462 6 I CB -0.332 37.700 38.000 0.054 0.000 1.092 6 I HN -0.064 nan 8.210 nan 0.000 0.442 7 D N 1.493 121.935 120.400 0.070 0.000 2.360 7 D HA 0.122 4.750 4.640 -0.020 0.000 0.210 7 D C 0.487 176.843 176.300 0.092 0.000 1.047 7 D CA 0.373 54.411 54.000 0.062 0.000 0.854 7 D CB 0.314 41.133 40.800 0.033 0.000 0.936 7 D HN 0.470 nan 8.370 nan 0.000 0.514 8 R N 1.150 121.728 120.500 0.130 0.000 2.629 8 R HA 0.183 4.511 4.340 -0.020 0.000 0.277 8 R C -1.911 174.573 176.300 0.307 0.000 1.637 8 R CA -1.098 55.123 56.100 0.202 0.000 1.663 8 R CB 1.720 32.126 30.300 0.177 0.000 1.228 8 R HN -0.056 nan 8.270 nan 0.000 0.632 9 P HA -0.112 nan 4.420 nan 0.000 0.219 9 P C 1.066 178.629 177.300 0.439 0.000 1.150 9 P CA 0.912 64.208 63.100 0.326 0.000 0.814 9 P CB 0.402 32.278 31.700 0.293 0.000 0.787 10 I N -1.074 119.704 120.570 0.348 0.000 2.202 10 I HA -0.198 3.960 4.170 -0.020 0.000 0.242 10 I C 2.434 178.760 176.117 0.348 0.000 1.091 10 I CA 1.277 62.759 61.300 0.304 0.000 1.368 10 I CB -1.179 36.920 38.000 0.164 0.000 1.058 10 I HN -0.208 nan 8.210 nan 0.000 0.410 11 F N 1.424 121.508 119.950 0.223 0.000 2.065 11 F HA -0.349 4.166 4.527 -0.021 0.000 0.298 11 F C 2.487 178.453 175.800 0.277 0.000 1.112 11 F CA 1.675 59.822 58.000 0.246 0.000 1.212 11 F CB -0.821 38.336 39.000 0.263 0.000 0.975 11 F HN 0.078 nan 8.300 nan 0.000 0.476 12 A N -1.102 122.080 122.820 0.605 0.000 1.908 12 A HA -0.254 4.054 4.320 -0.020 0.000 0.218 12 A C 2.197 179.821 177.584 0.067 0.000 1.181 12 A CA 1.685 53.836 52.037 0.189 0.000 0.627 12 A CB -1.705 17.329 19.000 0.057 0.000 0.818 12 A HN 0.631 nan 8.150 nan 0.000 0.445 13 W N -0.256 121.107 121.300 0.104 0.000 2.358 13 W HA -0.143 4.505 4.660 -0.021 0.000 0.303 13 W C 2.349 178.885 176.519 0.029 0.000 1.208 13 W CA 1.557 58.932 57.345 0.050 0.000 1.274 13 W CB -0.355 29.133 29.460 0.048 0.000 1.138 13 W HN 0.139 nan 8.180 nan 0.000 0.515 14 V N 0.623 120.702 119.914 0.275 0.000 2.287 14 V HA -0.344 3.764 4.120 -0.020 0.000 0.248 14 V C 1.904 178.051 176.094 0.088 0.000 1.053 14 V CA 1.870 64.246 62.300 0.127 0.000 1.027 14 V CB -0.882 30.942 31.823 0.003 0.000 0.646 14 V HN 0.172 nan 8.190 nan 0.000 0.447 15 I N 0.356 120.984 120.570 0.098 0.000 2.226 15 I HA -0.257 3.901 4.170 -0.020 0.000 0.245 15 I C 2.651 178.770 176.117 0.003 0.000 1.100 15 I CA 1.535 62.865 61.300 0.050 0.000 1.374 15 I CB -0.584 37.440 38.000 0.039 0.000 1.057 15 I HN 0.296 nan 8.210 nan 0.000 0.413 16 A N 0.849 123.656 122.820 -0.022 0.000 1.933 16 A HA -0.167 4.141 4.320 -0.020 0.000 0.218 16 A C 2.265 179.868 177.584 0.033 0.000 1.175 16 A CA 1.556 53.562 52.037 -0.052 0.000 0.628 16 A CB -0.755 18.134 19.000 -0.184 0.000 0.814 16 A HN 0.407 nan 8.150 nan 0.000 0.444 17 I N -0.599 120.033 120.570 0.104 0.000 2.286 17 I HA -0.181 3.977 4.170 -0.020 0.000 0.245 17 I C 2.228 178.373 176.117 0.048 0.000 1.104 17 I CA 0.995 62.356 61.300 0.102 0.000 1.397 17 I CB -0.268 37.810 38.000 0.131 0.000 1.072 17 I HN 0.258 nan 8.210 nan 0.000 0.417 18 I N 0.778 121.369 120.570 0.035 0.000 2.264 18 I HA -0.303 3.855 4.170 -0.020 0.000 0.248 18 I C 2.429 178.551 176.117 0.009 0.000 1.111 18 I CA 1.657 62.966 61.300 0.015 0.000 1.382 18 I CB -0.208 37.799 38.000 0.011 0.000 1.060 18 I HN 0.185 nan 8.210 nan 0.000 0.418 19 I N -0.054 120.520 120.570 0.007 0.000 2.252 19 I HA -0.302 3.856 4.170 -0.020 0.000 0.245 19 I C 2.539 178.661 176.117 0.008 0.000 1.102 19 I CA 1.434 62.735 61.300 0.001 0.000 1.385 19 I CB -0.213 37.779 38.000 -0.013 0.000 1.064 19 I HN 0.208 nan 8.210 nan 0.000 0.414 20 M N -0.331 119.277 119.600 0.013 0.000 2.254 20 M HA -0.160 4.308 4.480 -0.020 0.000 0.265 20 M C 2.283 178.584 176.300 0.002 0.000 1.066 20 M CA 1.286 56.594 55.300 0.013 0.000 1.123 20 M CB -0.152 32.465 32.600 0.028 0.000 1.388 20 M HN 0.252 nan 8.290 nan 0.000 0.425 21 L N 0.256 121.482 121.223 0.004 0.000 1.994 21 L HA -0.181 4.147 4.340 -0.020 0.000 0.208 21 L C 2.730 179.594 176.870 -0.011 0.000 1.071 21 L CA 2.200 57.037 54.840 -0.005 0.000 0.745 21 L CB -1.295 40.763 42.059 -0.002 0.000 0.892 21 L HN 0.267 nan 8.230 nan 0.000 0.431 22 A N -0.368 122.450 122.820 -0.005 0.000 1.940 22 A HA -0.136 4.172 4.320 -0.020 0.000 0.219 22 A C 2.360 179.945 177.584 0.003 0.000 1.176 22 A CA 1.664 53.698 52.037 -0.004 0.000 0.631 22 A CB -1.109 17.889 19.000 -0.004 0.000 0.814 22 A HN 0.490 nan 8.150 nan 0.000 0.446 23 G N -0.456 108.350 108.800 0.010 0.000 2.480 23 G HA2 -0.031 3.917 3.960 -0.020 0.000 0.216 23 G HA3 -0.031 3.917 3.960 -0.020 0.000 0.216 23 G C 1.574 176.443 174.900 -0.052 0.000 1.200 23 G CA 1.308 46.418 45.100 0.018 0.000 0.782 23 G HN 0.725 nan 8.290 nan 0.000 0.554 24 G N 0.420 109.181 108.800 -0.065 0.000 2.422 24 G HA2 -0.071 3.877 3.960 -0.020 0.000 0.218 24 G HA3 -0.071 3.877 3.960 -0.020 0.000 0.218 24 G C 1.771 176.624 174.900 -0.078 0.000 1.146 24 G CA 0.867 45.911 45.100 -0.094 0.000 0.769 24 G HN 0.334 nan 8.290 nan 0.000 0.547 25 L N 1.263 122.458 121.223 -0.047 0.000 2.017 25 L HA 0.084 4.412 4.340 -0.020 0.000 0.208 25 L C 3.301 180.153 176.870 -0.030 0.000 1.073 25 L CA 1.754 56.573 54.840 -0.034 0.000 0.745 25 L CB -0.768 41.278 42.059 -0.022 0.000 0.894 25 L HN 0.269 nan 8.230 nan 0.000 0.432 26 A N -0.211 122.600 122.820 -0.016 0.000 1.873 26 A HA -0.261 4.047 4.320 -0.020 0.000 0.218 26 A C 2.321 179.900 177.584 -0.008 0.000 1.193 26 A CA 2.250 54.295 52.037 0.013 0.000 0.629 26 A CB -0.976 18.064 19.000 0.066 0.000 0.826 26 A HN 0.380 nan 8.150 nan 0.000 0.447 27 I N -0.395 120.122 120.570 -0.088 0.000 2.194 27 I HA -0.321 3.837 4.170 -0.020 0.000 0.246 27 I C 2.435 178.495 176.117 -0.095 0.000 1.093 27 I CA 1.449 62.648 61.300 -0.169 0.000 1.355 27 I CB -0.335 37.448 38.000 -0.362 0.000 1.046 27 I HN 0.333 nan 8.210 nan 0.000 0.413 28 L N 0.104 121.281 121.223 -0.077 0.000 2.046 28 L HA -0.217 4.111 4.340 -0.020 0.000 0.208 28 L C 2.255 179.107 176.870 -0.029 0.000 1.077 28 L CA 1.540 56.349 54.840 -0.052 0.000 0.747 28 L CB -0.452 41.579 42.059 -0.046 0.000 0.896 28 L HN 0.176 nan 8.230 nan 0.000 0.432 29 K N -0.690 119.699 120.400 -0.018 0.000 2.393 29 K HA 0.111 4.418 4.320 -0.020 0.000 0.193 29 K C 0.007 176.613 176.600 0.011 0.000 1.026 29 K CA -0.259 56.026 56.287 -0.004 0.000 1.064 29 K CB 0.383 32.881 32.500 -0.002 0.000 0.833 29 K HN 0.017 nan 8.250 nan 0.000 0.521 30 L N 2.458 123.693 121.223 0.020 0.000 2.380 30 L HA 0.192 4.520 4.340 -0.020 0.000 0.273 30 L C -2.333 174.561 176.870 0.039 0.000 1.138 30 L CA -2.327 52.542 54.840 0.048 0.000 0.832 30 L CB 0.359 42.474 42.059 0.093 0.000 1.124 30 L HN -0.087 nan 8.230 nan 0.000 0.454 31 P HA 0.193 nan 4.420 nan 0.000 0.271 31 P C -1.151 176.170 177.300 0.036 0.000 1.220 31 P CA -0.218 62.902 63.100 0.034 0.000 0.768 31 P CB 0.712 32.432 31.700 0.034 0.000 0.848 32 V N 2.686 122.612 119.914 0.021 0.000 2.417 32 V HA 0.787 4.895 4.120 -0.020 0.000 0.291 32 V C 0.301 176.396 176.094 0.003 0.000 1.024 32 V CA -0.401 61.904 62.300 0.009 0.000 0.861 32 V CB 1.036 32.855 31.823 -0.006 0.000 0.985 32 V HN 0.793 nan 8.190 nan 0.000 0.436 33 A N 3.125 125.940 122.820 -0.008 0.000 2.583 33 A HA 0.616 4.924 4.320 -0.020 0.000 0.289 33 A C 0.354 177.897 177.584 -0.068 0.000 1.151 33 A CA -0.402 51.632 52.037 -0.006 0.000 0.695 33 A CB 1.855 20.875 19.000 0.033 0.000 1.290 33 A HN 0.645 nan 8.150 nan 0.000 0.419 34 Q N -1.158 118.590 119.800 -0.088 0.000 2.089 34 Q HA 0.109 4.436 4.340 -0.020 0.000 0.195 34 Q C -0.673 175.006 176.000 -0.536 0.000 0.963 34 Q CA 1.361 56.981 55.803 -0.304 0.000 0.834 34 Q CB 0.063 28.655 28.738 -0.243 0.000 0.906 34 Q HN 0.698 nan 8.270 nan 0.000 0.452 35 Y N -0.516 119.843 120.300 0.097 0.000 2.609 35 Y HA 0.429 4.966 4.550 -0.022 0.000 0.342 35 Y C -2.108 173.837 175.900 0.074 0.000 1.058 35 Y CA -2.718 55.436 58.100 0.090 0.000 1.055 35 Y CB 1.135 39.669 38.460 0.122 0.000 1.292 35 Y HN 0.093 nan 8.280 nan 0.000 0.476 36 P HA 0.051 nan 4.420 nan 0.000 0.273 36 P C -0.599 176.793 177.300 0.154 0.000 1.250 36 P CA -0.252 62.938 63.100 0.150 0.000 0.793 36 P CB 0.447 32.221 31.700 0.123 0.000 1.011 37 T N 1.594 116.208 114.554 0.101 0.000 2.867 37 T HA 0.095 4.433 4.350 -0.020 0.000 0.297 37 T C 1.373 176.131 174.700 0.097 0.000 0.989 37 T CA 0.500 62.658 62.100 0.096 0.000 1.159 37 T CB -0.212 68.694 68.868 0.063 0.000 0.928 37 T HN 0.259 nan 8.240 nan 0.000 0.538 38 I N 1.803 122.437 120.570 0.106 0.000 3.534 38 I HA 0.285 4.443 4.170 -0.020 0.000 0.251 38 I C 1.534 177.702 176.117 0.085 0.000 1.136 38 I CA -0.250 61.106 61.300 0.094 0.000 1.475 38 I CB -0.256 37.797 38.000 0.088 0.000 1.526 38 I HN 0.595 nan 8.210 nan 0.000 0.454 39 A N 3.640 126.514 122.820 0.091 0.000 2.540 39 A HA 0.224 4.532 4.320 -0.020 0.000 0.239 39 A C -2.191 175.446 177.584 0.088 0.000 1.061 39 A CA -0.695 51.397 52.037 0.091 0.000 0.758 39 A CB -0.956 18.105 19.000 0.101 0.000 0.991 39 A HN 0.113 nan 8.150 nan 0.000 0.502 40 P HA 0.184 nan 4.420 nan 0.000 0.268 40 P C -2.574 174.786 177.300 0.099 0.000 1.204 40 P CA -0.930 62.220 63.100 0.082 0.000 0.768 40 P CB -0.179 31.552 31.700 0.052 0.000 0.842 41 P HA 0.150 nan 4.420 nan 0.000 0.267 41 P C -0.790 176.649 177.300 0.231 0.000 1.200 41 P CA 0.128 63.303 63.100 0.125 0.000 0.772 41 P CB 0.439 32.169 31.700 0.051 0.000 0.855 42 A N 3.151 126.091 122.820 0.200 0.000 2.569 42 A HA 0.408 4.716 4.320 -0.020 0.000 0.282 42 A C -0.509 177.197 177.584 0.202 0.000 1.165 42 A CA -0.643 51.527 52.037 0.223 0.000 0.747 42 A CB 0.721 19.803 19.000 0.136 0.000 1.215 42 A HN 0.286 nan 8.150 nan 0.000 0.431 43 V N 2.549 122.645 119.914 0.303 0.000 2.572 43 V HA 0.348 4.456 4.120 -0.020 0.000 0.291 43 V C 0.444 176.627 176.094 0.148 0.000 1.039 43 V CA 0.445 62.868 62.300 0.205 0.000 1.055 43 V CB 1.229 33.202 31.823 0.251 0.000 0.969 43 V HN 0.849 nan 8.190 nan 0.000 0.482 44 T N 6.551 121.166 114.554 0.102 0.000 2.792 44 T HA 0.624 4.962 4.350 -0.020 0.000 0.280 44 T C -0.316 174.423 174.700 0.066 0.000 0.990 44 T CA -0.229 61.919 62.100 0.080 0.000 0.960 44 T CB 1.031 69.945 68.868 0.077 0.000 0.939 44 T HN 0.335 nan 8.240 nan 0.000 0.439 45 I N 2.883 123.488 120.570 0.058 0.000 2.315 45 I HA 0.343 4.501 4.170 -0.020 0.000 0.291 45 I C 0.443 176.589 176.117 0.048 0.000 1.006 45 I CA -0.002 61.327 61.300 0.048 0.000 1.265 45 I CB 1.148 39.173 38.000 0.041 0.000 1.387 45 I HN 0.539 nan 8.210 nan 0.000 0.475 46 S N 4.711 120.439 115.700 0.048 0.000 2.532 46 S HA 0.934 5.392 4.470 -0.020 0.000 0.301 46 S C -0.546 174.083 174.600 0.048 0.000 1.083 46 S CA -0.773 57.458 58.200 0.052 0.000 1.025 46 S CB 2.039 65.272 63.200 0.055 0.000 1.056 46 S HN 0.761 nan 8.310 nan 0.000 0.494 47 A N 1.344 124.197 122.820 0.056 0.000 2.540 47 A HA 0.730 5.038 4.320 -0.020 0.000 0.297 47 A C -0.726 176.905 177.584 0.078 0.000 1.056 47 A CA -0.629 51.441 52.037 0.055 0.000 0.700 47 A CB 1.409 20.435 19.000 0.044 0.000 1.280 47 A HN 0.561 nan 8.150 nan 0.000 0.398 48 S N 0.616 116.365 115.700 0.082 0.000 2.489 48 S HA 0.599 5.056 4.470 -0.020 0.000 0.291 48 S C -1.125 173.576 174.600 0.169 0.000 1.151 48 S CA -0.156 58.118 58.200 0.123 0.000 1.082 48 S CB 0.656 63.924 63.200 0.113 0.000 1.019 48 S HN 0.573 nan 8.310 nan 0.000 0.492 49 Y N 4.096 124.436 120.300 0.067 0.000 2.646 49 Y HA 0.312 4.850 4.550 -0.020 0.000 0.334 49 Y C -2.678 173.273 175.900 0.084 0.000 1.004 49 Y CA -2.914 55.229 58.100 0.072 0.000 1.301 49 Y CB 0.989 39.483 38.460 0.057 0.000 1.093 49 Y HN 0.458 nan 8.280 nan 0.000 0.530 50 P HA 0.142 nan 4.420 nan 0.000 0.266 50 P C 0.604 178.026 177.300 0.203 0.000 1.215 50 P CA 1.686 64.942 63.100 0.260 0.000 0.763 50 P CB 0.943 32.817 31.700 0.290 0.000 0.806 51 G N 2.419 111.284 108.800 0.108 0.000 2.254 51 G HA2 -0.176 3.772 3.960 -0.020 0.000 0.225 51 G HA3 -0.176 3.772 3.960 -0.020 0.000 0.225 51 G C 0.376 175.233 174.900 -0.070 0.000 1.003 51 G CA -0.042 45.083 45.100 0.041 0.000 0.622 51 G HN 0.836 nan 8.290 nan 0.000 0.507 52 A N 1.630 124.345 122.820 -0.175 0.000 2.363 52 A HA 0.553 4.861 4.320 -0.020 0.000 0.270 52 A C 0.627 178.124 177.584 -0.144 0.000 1.121 52 A CA 0.439 52.277 52.037 -0.331 0.000 0.800 52 A CB 0.234 18.787 19.000 -0.745 0.000 1.052 52 A HN 0.697 nan 8.150 nan 0.000 0.493 53 D N 1.871 122.193 120.400 -0.131 0.000 2.371 53 D HA 0.290 4.918 4.640 -0.020 0.000 0.242 53 D C 1.198 177.467 176.300 -0.052 0.000 1.218 53 D CA 0.178 54.138 54.000 -0.066 0.000 0.945 53 D CB 0.936 41.698 40.800 -0.063 0.000 1.137 53 D HN 0.394 nan 8.370 nan 0.000 0.464 54 A N 0.766 123.568 122.820 -0.029 0.000 1.883 54 A HA -0.252 4.056 4.320 -0.020 0.000 0.217 54 A C 2.150 179.718 177.584 -0.028 0.000 1.186 54 A CA 2.291 54.316 52.037 -0.021 0.000 0.624 54 A CB -0.756 18.227 19.000 -0.028 0.000 0.822 54 A HN 0.729 nan 8.150 nan 0.000 0.444 55 K N -0.930 119.445 120.400 -0.043 0.000 2.032 55 K HA -0.150 4.158 4.320 -0.020 0.000 0.209 55 K C 2.096 178.685 176.600 -0.018 0.000 1.048 55 K CA 2.082 58.347 56.287 -0.036 0.000 0.927 55 K CB -0.424 32.053 32.500 -0.040 0.000 0.712 55 K HN 0.484 nan 8.250 nan 0.000 0.441 56 T N 0.627 115.157 114.554 -0.040 0.000 2.622 56 T HA -0.156 4.182 4.350 -0.020 0.000 0.266 56 T C 1.898 176.621 174.700 0.037 0.000 1.047 56 T CA 1.729 63.807 62.100 -0.037 0.000 1.159 56 T CB -0.422 68.345 68.868 -0.168 0.000 0.863 56 T HN 0.012 nan 8.240 nan 0.000 0.422 57 V N 1.777 121.708 119.914 0.030 0.000 2.252 57 V HA -0.292 3.816 4.120 -0.020 0.000 0.249 57 V C 2.671 178.824 176.094 0.097 0.000 1.056 57 V CA 2.168 64.540 62.300 0.120 0.000 1.022 57 V CB -0.853 31.025 31.823 0.091 0.000 0.641 57 V HN 0.511 nan 8.190 nan 0.000 0.445 58 Q N -0.021 119.810 119.800 0.051 0.000 1.967 58 Q HA -0.263 4.064 4.340 -0.020 0.000 0.202 58 Q C 1.869 177.896 176.000 0.045 0.000 0.985 58 Q CA 2.228 58.055 55.803 0.040 0.000 0.839 58 Q CB -0.235 28.513 28.738 0.016 0.000 0.906 58 Q HN 0.623 nan 8.270 nan 0.000 0.423 59 D N -0.708 119.716 120.400 0.040 0.000 2.371 59 D HA -0.054 4.574 4.640 -0.020 0.000 0.221 59 D C 1.063 177.397 176.300 0.056 0.000 0.986 59 D CA 0.848 54.871 54.000 0.039 0.000 0.899 59 D CB 0.172 40.988 40.800 0.028 0.000 0.902 59 D HN 0.204 nan 8.370 nan 0.000 0.530 60 T N -1.408 113.197 114.554 0.086 0.000 2.955 60 T HA 0.156 4.494 4.350 -0.020 0.000 0.251 60 T C 1.483 176.236 174.700 0.088 0.000 1.002 60 T CA 0.061 62.226 62.100 0.109 0.000 0.970 60 T CB 0.602 69.590 68.868 0.201 0.000 1.091 60 T HN -0.115 nan 8.240 nan 0.000 0.495 61 V N 0.008 119.976 119.914 0.090 0.000 3.278 61 V HA 0.085 4.193 4.120 -0.020 0.000 0.215 61 V C 2.490 178.612 176.094 0.047 0.000 1.287 61 V CA 1.014 63.351 62.300 0.062 0.000 1.302 61 V CB -0.202 31.671 31.823 0.082 0.000 1.228 61 V HN 0.287 nan 8.190 nan 0.000 0.523 62 T N 0.223 114.808 114.554 0.053 0.000 2.595 62 T HA -0.279 4.058 4.350 -0.020 0.000 0.264 62 T C 1.847 176.564 174.700 0.027 0.000 1.058 62 T CA 2.073 64.196 62.100 0.038 0.000 1.166 62 T CB -0.381 68.510 68.868 0.038 0.000 0.863 62 T HN 0.377 nan 8.240 nan 0.000 0.415 63 Q N 0.223 120.040 119.800 0.028 0.000 2.133 63 Q HA -0.131 4.197 4.340 -0.020 0.000 0.208 63 Q C 2.598 178.608 176.000 0.018 0.000 0.991 63 Q CA 1.386 57.201 55.803 0.021 0.000 0.867 63 Q CB -0.602 28.150 28.738 0.023 0.000 0.911 63 Q HN 0.368 nan 8.270 nan 0.000 0.417 64 V N 0.896 120.823 119.914 0.022 0.000 2.295 64 V HA -0.265 3.843 4.120 -0.020 0.000 0.246 64 V C 2.178 178.280 176.094 0.014 0.000 1.049 64 V CA 1.619 63.929 62.300 0.017 0.000 1.024 64 V CB -0.458 31.376 31.823 0.019 0.000 0.648 64 V HN 0.311 nan 8.190 nan 0.000 0.447 65 I N -0.216 120.363 120.570 0.015 0.000 2.179 65 I HA -0.254 3.904 4.170 -0.020 0.000 0.242 65 I C 2.567 178.689 176.117 0.008 0.000 1.088 65 I CA 1.734 63.042 61.300 0.013 0.000 1.357 65 I CB -0.486 37.524 38.000 0.017 0.000 1.051 65 I HN 0.346 nan 8.210 nan 0.000 0.409 66 E N 0.506 120.709 120.200 0.006 0.000 2.118 66 E HA -0.285 4.053 4.350 -0.020 0.000 0.195 66 E C 1.997 178.594 176.600 -0.004 0.000 0.992 66 E CA 1.160 57.558 56.400 -0.004 0.000 0.804 66 E CB -0.144 29.553 29.700 -0.006 0.000 0.741 66 E HN 0.583 nan 8.360 nan 0.000 0.458 67 Q N -0.083 119.718 119.800 0.001 0.000 2.515 67 Q HA -0.044 4.284 4.340 -0.020 0.000 0.212 67 Q C 0.696 176.697 176.000 0.003 0.000 0.970 67 Q CA 0.483 56.288 55.803 0.002 0.000 0.941 67 Q CB 0.061 28.802 28.738 0.005 0.000 0.998 67 Q HN 0.234 nan 8.270 nan 0.000 0.518 68 N N -1.060 117.642 118.700 0.003 0.000 2.227 68 N HA 0.073 4.801 4.740 -0.020 0.000 0.196 68 N C -0.447 175.066 175.510 0.006 0.000 1.142 68 N CA -0.063 52.991 53.050 0.006 0.000 0.887 68 N CB 0.601 39.093 38.487 0.008 0.000 1.022 68 N HN 0.036 nan 8.380 nan 0.000 0.500 69 M N 2.665 122.266 119.600 0.001 0.000 2.429 69 M HA 0.174 4.642 4.480 -0.020 0.000 0.334 69 M C -0.451 175.845 176.300 -0.007 0.000 1.560 69 M CA 0.301 55.600 55.300 -0.002 0.000 1.291 69 M CB -1.465 31.125 32.600 -0.016 0.000 1.754 69 M HN 0.299 nan 8.290 nan 0.000 0.456 70 N N 0.049 118.751 118.700 0.003 0.000 3.127 70 N HA 0.380 5.108 4.740 -0.020 0.000 0.239 70 N C 0.115 175.634 175.510 0.014 0.000 1.407 70 N CA -0.375 52.676 53.050 0.002 0.000 0.891 70 N CB 1.098 39.586 38.487 0.001 0.000 1.447 70 N HN 0.612 nan 8.380 nan 0.000 0.507 71 G N 0.346 109.155 108.800 0.014 0.000 2.305 71 G HA2 -0.233 3.715 3.960 -0.020 0.000 0.287 71 G HA3 -0.233 3.715 3.960 -0.020 0.000 0.287 71 G C -0.475 174.448 174.900 0.037 0.000 1.036 71 G CA 0.402 45.516 45.100 0.022 0.000 0.887 71 G HN 0.602 nan 8.290 nan 0.000 0.505 72 I N 0.912 121.511 120.570 0.048 0.000 2.328 72 I HA 0.211 4.369 4.170 -0.020 0.000 0.287 72 I C -0.094 176.093 176.117 0.117 0.000 1.012 72 I CA -1.084 60.274 61.300 0.096 0.000 1.195 72 I CB 0.977 39.053 38.000 0.127 0.000 1.350 72 I HN -0.050 nan 8.210 nan 0.000 0.464 73 D N 6.418 126.888 120.400 0.117 0.000 2.478 73 D HA -0.064 4.564 4.640 -0.020 0.000 0.234 73 D C 0.763 177.175 176.300 0.186 0.000 1.154 73 D CA 0.767 54.833 54.000 0.109 0.000 0.874 73 D CB 0.287 41.130 40.800 0.071 0.000 1.198 73 D HN 0.523 nan 8.370 nan 0.000 0.455 74 N N -0.398 118.381 118.700 0.132 0.000 2.681 74 N HA -0.242 4.486 4.740 -0.020 0.000 0.250 74 N C -0.110 175.484 175.510 0.140 0.000 1.133 74 N CA 0.260 53.400 53.050 0.150 0.000 0.732 74 N CB -1.353 37.238 38.487 0.173 0.000 1.107 74 N HN 0.319 nan 8.380 nan 0.000 0.559 75 L N 0.511 121.736 121.223 0.004 0.000 2.361 75 L HA 0.227 4.555 4.340 -0.020 0.000 0.278 75 L C 1.487 178.196 176.870 -0.268 0.000 1.113 75 L CA 0.244 54.897 54.840 -0.312 0.000 0.849 75 L CB 0.559 42.435 42.059 -0.304 0.000 1.155 75 L HN 0.126 nan 8.230 nan 0.000 0.452 76 M N 4.345 123.686 119.600 -0.431 0.000 2.171 76 M HA 0.089 4.557 4.480 -0.020 0.000 0.260 76 M C -0.684 175.380 176.300 -0.394 0.000 1.087 76 M CA 1.197 56.246 55.300 -0.419 0.000 1.154 76 M CB 0.168 32.337 32.600 -0.718 0.000 1.331 76 M HN 0.697 nan 8.290 nan 0.000 0.431 77 Y N -2.658 117.417 120.300 -0.375 0.000 2.689 77 Y HA 0.643 5.184 4.550 -0.015 0.000 0.333 77 Y C -1.061 174.565 175.900 -0.457 0.000 1.208 77 Y CA -2.383 55.457 58.100 -0.433 0.000 1.055 77 Y CB 0.825 38.988 38.460 -0.495 0.000 1.304 77 Y HN 0.040 nan 8.280 nan 0.000 0.455 78 M N 3.344 122.791 119.600 -0.255 0.000 2.204 78 M HA 0.697 5.164 4.480 -0.020 0.000 0.293 78 M C -1.517 174.610 176.300 -0.288 0.000 0.994 78 M CA -0.417 54.748 55.300 -0.226 0.000 0.925 78 M CB 1.744 34.223 32.600 -0.202 0.000 1.577 78 M HN 0.975 nan 8.290 nan 0.000 0.439 79 S N 3.169 118.788 115.700 -0.135 0.000 2.568 79 S HA 0.947 5.405 4.470 -0.020 0.000 0.302 79 S C -0.752 173.843 174.600 -0.008 0.000 1.082 79 S CA -0.328 57.831 58.200 -0.070 0.000 1.009 79 S CB 1.977 65.197 63.200 0.033 0.000 1.069 79 S HN 0.910 nan 8.310 nan 0.000 0.500 80 S N 1.392 117.104 115.700 0.020 0.000 2.556 80 S HA 0.673 5.131 4.470 -0.020 0.000 0.271 80 S C -1.827 172.799 174.600 0.044 0.000 1.135 80 S CA -0.963 57.255 58.200 0.030 0.000 0.858 80 S CB 1.307 64.518 63.200 0.019 0.000 1.114 80 S HN 0.699 nan 8.310 nan 0.000 0.468 81 N N 0.939 119.666 118.700 0.045 0.000 2.284 81 N HA 0.605 5.333 4.740 -0.020 0.000 0.300 81 N C -1.536 174.000 175.510 0.043 0.000 1.047 81 N CA -0.569 52.508 53.050 0.045 0.000 0.821 81 N CB 2.076 40.591 38.487 0.048 0.000 1.337 81 N HN 0.628 nan 8.380 nan 0.000 0.482 82 S N 1.061 116.782 115.700 0.036 0.000 2.733 82 S HA 0.389 4.846 4.470 -0.020 0.000 0.307 82 S C -1.029 173.587 174.600 0.027 0.000 1.127 82 S CA -0.815 57.406 58.200 0.036 0.000 1.097 82 S CB 0.833 64.050 63.200 0.029 0.000 1.003 82 S HN 0.359 nan 8.310 nan 0.000 0.477 83 D N 1.229 121.651 120.400 0.037 0.000 2.272 83 D HA 0.361 4.989 4.640 -0.020 0.000 0.247 83 D C 0.699 177.017 176.300 0.030 0.000 0.990 83 D CA -0.615 53.405 54.000 0.033 0.000 0.931 83 D CB 1.230 42.055 40.800 0.041 0.000 1.195 83 D HN 0.385 nan 8.370 nan 0.000 0.477 84 S N -1.480 114.235 115.700 0.026 0.000 2.701 84 S HA -0.057 4.401 4.470 -0.020 0.000 0.220 84 S C 1.374 175.996 174.600 0.037 0.000 0.954 84 S CA -0.046 58.166 58.200 0.021 0.000 0.936 84 S CB -0.694 62.516 63.200 0.017 0.000 0.777 84 S HN 0.571 nan 8.310 nan 0.000 0.518 85 T N -2.037 112.546 114.554 0.049 0.000 3.118 85 T HA 0.406 4.744 4.350 -0.020 0.000 0.260 85 T C 1.668 176.412 174.700 0.073 0.000 1.139 85 T CA 0.614 62.752 62.100 0.063 0.000 1.085 85 T CB -0.372 68.536 68.868 0.066 0.000 0.934 85 T HN 0.896 nan 8.240 nan 0.000 0.518 86 G N 1.286 110.126 108.800 0.066 0.000 2.176 86 G HA2 -0.208 3.740 3.960 -0.020 0.000 0.232 86 G HA3 -0.208 3.740 3.960 -0.020 0.000 0.232 86 G C 0.244 175.218 174.900 0.124 0.000 0.986 86 G CA 0.093 45.248 45.100 0.091 0.000 0.643 86 G HN 1.121 nan 8.290 nan 0.000 0.522 87 T N -2.013 112.599 114.554 0.097 0.000 2.929 87 T HA 0.747 5.085 4.350 -0.020 0.000 0.284 87 T C -0.247 174.503 174.700 0.083 0.000 1.014 87 T CA -0.247 61.911 62.100 0.096 0.000 1.051 87 T CB 2.778 71.697 68.868 0.084 0.000 1.028 87 T HN 1.502 nan 8.240 nan 0.000 0.485 88 V N 1.985 121.948 119.914 0.081 0.000 2.588 88 V HA 0.546 4.654 4.120 -0.020 0.000 0.304 88 V C -1.375 174.755 176.094 0.060 0.000 1.042 88 V CA -0.573 61.767 62.300 0.067 0.000 0.877 88 V CB 1.817 33.681 31.823 0.068 0.000 0.996 88 V HN 1.026 nan 8.190 nan 0.000 0.425 89 Q N 6.306 126.138 119.800 0.055 0.000 2.325 89 Q HA 0.567 4.895 4.340 -0.020 0.000 0.270 89 Q C -1.299 174.729 176.000 0.047 0.000 1.020 89 Q CA -0.433 55.402 55.803 0.054 0.000 0.785 89 Q CB 2.501 31.274 28.738 0.058 0.000 1.259 89 Q HN 0.761 nan 8.270 nan 0.000 0.452 90 I N 2.257 122.852 120.570 0.043 0.000 2.362 90 I HA 0.326 4.484 4.170 -0.020 0.000 0.289 90 I C -0.327 175.811 176.117 0.034 0.000 0.994 90 I CA -0.513 60.804 61.300 0.030 0.000 1.158 90 I CB 1.917 39.930 38.000 0.021 0.000 1.315 90 I HN 0.375 nan 8.210 nan 0.000 0.451 91 T N 7.003 121.572 114.554 0.026 0.000 2.809 91 T HA 0.540 4.877 4.350 -0.020 0.000 0.296 91 T C -0.341 174.350 174.700 -0.016 0.000 1.015 91 T CA -0.527 61.595 62.100 0.036 0.000 0.954 91 T CB 0.792 69.701 68.868 0.068 0.000 0.950 91 T HN 0.181 nan 8.240 nan 0.000 0.450 92 L N 3.356 124.551 121.223 -0.046 0.000 2.255 92 L HA 0.425 4.753 4.340 -0.020 0.000 0.289 92 L C 0.717 177.369 176.870 -0.363 0.000 1.046 92 L CA -0.272 54.417 54.840 -0.252 0.000 0.816 92 L CB 0.801 42.688 42.059 -0.287 0.000 1.197 92 L HN 0.548 nan 8.230 nan 0.000 0.427 93 T N 3.215 117.479 114.554 -0.484 0.000 2.837 93 T HA 0.603 4.941 4.350 -0.020 0.000 0.285 93 T C -0.408 173.881 174.700 -0.684 0.000 0.984 93 T CA -0.095 61.733 62.100 -0.454 0.000 1.049 93 T CB 0.457 69.000 68.868 -0.541 0.000 0.947 93 T HN 0.065 nan 8.240 nan 0.000 0.472 94 F N 1.142 120.964 119.950 -0.212 0.000 2.538 94 F HA 0.361 4.890 4.527 0.004 0.000 0.325 94 F C 0.930 176.659 175.800 -0.117 0.000 1.066 94 F CA -1.294 56.616 58.000 -0.151 0.000 0.946 94 F CB 0.990 39.942 39.000 -0.081 0.000 1.199 94 F HN 0.369 nan 8.300 nan 0.000 0.473 95 E N 0.703 120.973 120.200 0.116 0.000 2.502 95 E HA -0.081 4.257 4.350 -0.020 0.000 0.261 95 E C -0.021 176.636 176.600 0.095 0.000 0.974 95 E CA 0.074 56.526 56.400 0.086 0.000 0.936 95 E CB 0.703 30.456 29.700 0.089 0.000 0.926 95 E HN 0.476 nan 8.360 nan 0.000 0.459 96 S N 1.097 116.845 115.700 0.081 0.000 2.546 96 S HA 0.242 4.699 4.470 -0.020 0.000 0.290 96 S C 1.098 175.732 174.600 0.057 0.000 1.290 96 S CA 0.874 59.117 58.200 0.073 0.000 1.069 96 S CB -0.018 63.228 63.200 0.077 0.000 0.846 96 S HN 0.709 nan 8.310 nan 0.000 0.495 97 G N 3.420 112.246 108.800 0.043 0.000 2.141 97 G HA2 -0.218 3.729 3.960 -0.020 0.000 0.242 97 G HA3 -0.218 3.729 3.960 -0.020 0.000 0.242 97 G C 0.187 175.093 174.900 0.010 0.000 0.982 97 G CA 0.192 45.305 45.100 0.022 0.000 0.662 97 G HN 0.869 nan 8.290 nan 0.000 0.527 98 T N 1.186 115.747 114.554 0.011 0.000 2.918 98 T HA 0.358 4.696 4.350 -0.020 0.000 0.302 98 T C 0.228 174.884 174.700 -0.073 0.000 1.045 98 T CA 0.142 62.226 62.100 -0.028 0.000 1.114 98 T CB 1.279 70.127 68.868 -0.033 0.000 0.965 98 T HN 0.246 nan 8.240 nan 0.000 0.540 99 D N 1.556 121.901 120.400 -0.090 0.000 2.363 99 D HA 0.166 4.794 4.640 -0.020 0.000 0.263 99 D C 1.094 177.296 176.300 -0.164 0.000 1.258 99 D CA -0.266 53.675 54.000 -0.099 0.000 0.907 99 D CB 0.772 41.524 40.800 -0.080 0.000 1.107 99 D HN 0.582 nan 8.370 nan 0.000 0.495 100 A N 4.441 127.179 122.820 -0.137 0.000 1.978 100 A HA -0.214 4.094 4.320 -0.020 0.000 0.220 100 A C 1.715 179.206 177.584 -0.155 0.000 1.170 100 A CA 1.328 53.266 52.037 -0.165 0.000 0.636 100 A CB -0.066 18.883 19.000 -0.085 0.000 0.810 100 A HN 0.532 nan 8.150 nan 0.000 0.448 101 D N 0.193 120.528 120.400 -0.108 0.000 2.084 101 D HA -0.123 4.505 4.640 -0.020 0.000 0.194 101 D C 1.875 178.113 176.300 -0.102 0.000 0.990 101 D CA 1.140 55.090 54.000 -0.084 0.000 0.826 101 D CB -0.285 40.482 40.800 -0.055 0.000 0.971 101 D HN 0.348 nan 8.370 nan 0.000 0.453 102 I N 1.175 121.677 120.570 -0.114 0.000 2.286 102 I HA -0.170 3.987 4.170 -0.020 0.000 0.248 102 I C 2.427 178.440 176.117 -0.173 0.000 1.115 102 I CA 0.684 61.917 61.300 -0.112 0.000 1.392 102 I CB -1.389 36.556 38.000 -0.091 0.000 1.065 102 I HN -0.109 nan 8.210 nan 0.000 0.418 103 A N 0.483 123.110 122.820 -0.323 0.000 1.892 103 A HA -0.310 3.998 4.320 -0.020 0.000 0.218 103 A C 2.396 179.795 177.584 -0.309 0.000 1.188 103 A CA 2.276 53.946 52.037 -0.612 0.000 0.631 103 A CB -0.854 17.426 19.000 -1.201 0.000 0.822 103 A HN 0.549 nan 8.150 nan 0.000 0.447 104 Q N -0.504 119.179 119.800 -0.195 0.000 2.016 104 Q HA -0.121 4.207 4.340 -0.020 0.000 0.200 104 Q C 2.051 178.028 176.000 -0.039 0.000 0.978 104 Q CA 1.979 57.738 55.803 -0.073 0.000 0.833 104 Q CB -0.262 28.444 28.738 -0.055 0.000 0.895 104 Q HN 0.390 nan 8.270 nan 0.000 0.427 105 V N 1.148 121.032 119.914 -0.050 0.000 2.252 105 V HA -0.359 3.748 4.120 -0.020 0.000 0.249 105 V C 2.361 178.449 176.094 -0.012 0.000 1.056 105 V CA 2.402 64.685 62.300 -0.027 0.000 1.022 105 V CB -0.735 31.069 31.823 -0.031 0.000 0.641 105 V HN 0.477 nan 8.190 nan 0.000 0.445 106 Q N -0.872 118.919 119.800 -0.015 0.000 2.061 106 Q HA -0.196 4.132 4.340 -0.020 0.000 0.204 106 Q C 2.350 178.374 176.000 0.041 0.000 0.984 106 Q CA 2.095 57.907 55.803 0.014 0.000 0.846 106 Q CB -0.402 28.351 28.738 0.024 0.000 0.902 106 Q HN 0.527 nan 8.270 nan 0.000 0.421 107 V N 0.747 120.699 119.914 0.063 0.000 2.252 107 V HA -0.356 3.752 4.120 -0.020 0.000 0.249 107 V C 2.332 178.456 176.094 0.050 0.000 1.056 107 V CA 2.367 64.719 62.300 0.087 0.000 1.022 107 V CB -0.555 31.345 31.823 0.129 0.000 0.641 107 V HN 0.450 nan 8.190 nan 0.000 0.445 108 Q N 0.223 120.043 119.800 0.033 0.000 2.170 108 Q HA -0.227 4.101 4.340 -0.020 0.000 0.203 108 Q C 2.163 178.173 176.000 0.018 0.000 0.976 108 Q CA 2.116 57.933 55.803 0.023 0.000 0.858 108 Q CB -0.439 28.307 28.738 0.014 0.000 0.907 108 Q HN 0.752 nan 8.270 nan 0.000 0.433 109 N N -0.516 118.194 118.700 0.016 0.000 2.205 109 N HA -0.199 4.529 4.740 -0.020 0.000 0.186 109 N C 1.217 176.736 175.510 0.015 0.000 1.015 109 N CA 1.109 54.167 53.050 0.013 0.000 0.862 109 N CB 0.137 38.632 38.487 0.012 0.000 0.986 109 N HN 0.156 nan 8.380 nan 0.000 0.429 110 K N 1.245 121.658 120.400 0.021 0.000 2.044 110 K HA -0.011 4.296 4.320 -0.020 0.000 0.204 110 K C 2.021 178.631 176.600 0.017 0.000 1.049 110 K CA -0.027 56.272 56.287 0.019 0.000 0.945 110 K CB -0.927 31.588 32.500 0.024 0.000 0.724 110 K HN 0.217 nan 8.250 nan 0.000 0.440 111 L N 1.988 123.224 121.223 0.021 0.000 2.089 111 L HA -0.254 4.074 4.340 -0.020 0.000 0.213 111 L C 1.884 178.762 176.870 0.013 0.000 1.079 111 L CA 1.885 56.735 54.840 0.018 0.000 0.758 111 L CB -0.395 41.677 42.059 0.022 0.000 0.891 111 L HN 0.277 nan 8.230 nan 0.000 0.433 112 Q N -0.438 119.369 119.800 0.011 0.000 2.297 112 Q HA -0.101 4.227 4.340 -0.020 0.000 0.204 112 Q C 2.281 178.284 176.000 0.006 0.000 0.962 112 Q CA 0.920 56.727 55.803 0.008 0.000 0.879 112 Q CB -0.051 28.692 28.738 0.007 0.000 0.947 112 Q HN 0.568 nan 8.270 nan 0.000 0.462 113 L N -0.242 120.985 121.223 0.007 0.000 2.109 113 L HA -0.075 4.253 4.340 -0.020 0.000 0.207 113 L C 2.344 179.217 176.870 0.005 0.000 1.086 113 L CA 1.059 55.903 54.840 0.006 0.000 0.760 113 L CB -0.476 41.587 42.059 0.007 0.000 0.910 113 L HN 0.068 nan 8.230 nan 0.000 0.437 114 A N -0.869 121.955 122.820 0.006 0.000 1.970 114 A HA -0.127 4.181 4.320 -0.020 0.000 0.216 114 A C 2.294 179.880 177.584 0.002 0.000 1.170 114 A CA 0.787 52.828 52.037 0.006 0.000 0.645 114 A CB -0.290 18.715 19.000 0.008 0.000 0.816 114 A HN 0.192 nan 8.150 nan 0.000 0.447 115 M N -0.101 119.500 119.600 0.002 0.000 2.113 115 M HA -0.156 4.312 4.480 -0.020 0.000 0.255 115 M C -0.748 175.548 176.300 -0.007 0.000 1.073 115 M CA 1.924 57.223 55.300 -0.002 0.000 1.091 115 M CB -2.206 30.394 32.600 0.001 0.000 1.309 115 M HN 0.183 nan 8.290 nan 0.000 0.407 116 P HA 0.036 nan 4.420 nan 0.000 0.237 116 P C 1.422 178.716 177.300 -0.009 0.000 1.178 116 P CA 0.807 63.902 63.100 -0.007 0.000 0.766 116 P CB -0.183 31.515 31.700 -0.004 0.000 0.876 117 L N -1.796 119.423 121.223 -0.007 0.000 2.567 117 L HA 0.120 4.447 4.340 -0.020 0.000 0.225 117 L C 1.040 177.903 176.870 -0.011 0.000 1.119 117 L CA -0.024 54.813 54.840 -0.005 0.000 0.871 117 L CB -0.337 41.722 42.059 0.001 0.000 1.036 117 L HN -0.052 nan 8.230 nan 0.000 0.459 118 L N 0.087 121.296 121.223 -0.022 0.000 2.439 118 L HA 0.277 4.605 4.340 -0.020 0.000 0.261 118 L C -2.033 174.793 176.870 -0.073 0.000 1.153 118 L CA -2.049 52.764 54.840 -0.045 0.000 0.808 118 L CB -0.224 41.804 42.059 -0.051 0.000 1.126 118 L HN -0.221 nan 8.230 nan 0.000 0.460 119 P HA 0.021 nan 4.420 nan 0.000 0.268 119 P C 0.077 177.278 177.300 -0.165 0.000 1.205 119 P CA -0.296 62.702 63.100 -0.170 0.000 0.771 119 P CB 0.508 31.989 31.700 -0.366 0.000 0.858 120 Q N 1.854 121.595 119.800 -0.098 0.000 2.112 120 Q HA -0.240 4.088 4.340 -0.020 0.000 0.206 120 Q C 1.509 177.466 176.000 -0.072 0.000 0.987 120 Q CA 2.032 57.796 55.803 -0.065 0.000 0.858 120 Q CB -0.338 28.378 28.738 -0.036 0.000 0.905 120 Q HN 0.570 nan 8.270 nan 0.000 0.420 121 E N -0.270 119.868 120.200 -0.103 0.000 2.153 121 E HA -0.120 4.218 4.350 -0.020 0.000 0.194 121 E C 2.092 178.630 176.600 -0.104 0.000 0.988 121 E CA 0.979 57.344 56.400 -0.060 0.000 0.811 121 E CB -0.102 29.596 29.700 -0.002 0.000 0.746 121 E HN 0.097 nan 8.360 nan 0.000 0.466 122 V N 0.837 120.589 119.914 -0.271 0.000 2.323 122 V HA -0.248 3.860 4.120 -0.020 0.000 0.244 122 V C 2.178 178.228 176.094 -0.072 0.000 1.041 122 V CA 1.721 63.903 62.300 -0.196 0.000 1.025 122 V CB -0.510 31.144 31.823 -0.281 0.000 0.656 122 V HN 0.261 nan 8.190 nan 0.000 0.451 123 Q N 0.544 120.304 119.800 -0.067 0.000 2.061 123 Q HA -0.260 4.067 4.340 -0.020 0.000 0.204 123 Q C 2.145 178.153 176.000 0.012 0.000 0.984 123 Q CA 1.881 57.670 55.803 -0.023 0.000 0.846 123 Q CB -0.236 28.488 28.738 -0.024 0.000 0.902 123 Q HN 0.829 nan 8.270 nan 0.000 0.421 124 Q N -0.165 119.656 119.800 0.036 0.000 2.373 124 Q HA -0.043 4.285 4.340 -0.020 0.000 0.206 124 Q C 1.118 177.197 176.000 0.130 0.000 0.942 124 Q CA 0.370 56.235 55.803 0.103 0.000 0.953 124 Q CB 0.302 29.118 28.738 0.131 0.000 1.022 124 Q HN 0.136 nan 8.270 nan 0.000 0.502 125 Q N 1.126 120.965 119.800 0.066 0.000 2.384 125 Q HA 0.219 4.547 4.340 -0.020 0.000 0.207 125 Q C -0.056 175.953 176.000 0.016 0.000 0.904 125 Q CA 0.850 56.672 55.803 0.031 0.000 0.933 125 Q CB 0.737 29.506 28.738 0.052 0.000 1.077 125 Q HN 0.570 nan 8.270 nan 0.000 0.522 126 G N 0.200 109.013 108.800 0.022 0.000 3.421 126 G HA2 -0.155 3.793 3.960 -0.020 0.000 0.656 126 G HA3 -0.155 3.793 3.960 -0.020 0.000 0.656 126 G C -0.684 174.226 174.900 0.017 0.000 1.007 126 G CA -0.087 45.023 45.100 0.016 0.000 0.811 126 G HN 0.145 nan 8.290 nan 0.000 0.433 127 V N 2.586 122.509 119.914 0.015 0.000 2.583 127 V HA 0.702 4.809 4.120 -0.020 0.000 0.287 127 V C 1.041 177.147 176.094 0.020 0.000 1.051 127 V CA 0.398 62.709 62.300 0.018 0.000 1.010 127 V CB 1.471 33.303 31.823 0.014 0.000 0.988 127 V HN 1.658 nan 8.190 nan 0.000 0.478 128 S N 4.182 119.897 115.700 0.025 0.000 2.513 128 S HA 0.805 5.263 4.470 -0.020 0.000 0.299 128 S C -1.035 173.583 174.600 0.031 0.000 1.087 128 S CA -0.678 57.537 58.200 0.025 0.000 1.012 128 S CB 1.994 65.210 63.200 0.025 0.000 1.044 128 S HN 0.448 nan 8.310 nan 0.000 0.485 129 V N 2.943 122.874 119.914 0.028 0.000 2.443 129 V HA 0.545 4.653 4.120 -0.020 0.000 0.293 129 V C -0.348 175.766 176.094 0.033 0.000 1.021 129 V CA -0.501 61.819 62.300 0.034 0.000 0.848 129 V CB 1.012 32.853 31.823 0.031 0.000 0.998 129 V HN 0.990 nan 8.190 nan 0.000 0.424 130 E N 3.390 123.615 120.200 0.042 0.000 2.299 130 E HA 0.566 4.903 4.350 -0.020 0.000 0.265 130 E C -0.745 175.883 176.600 0.046 0.000 0.911 130 E CA -1.023 55.401 56.400 0.040 0.000 0.789 130 E CB 2.594 32.321 29.700 0.044 0.000 1.246 130 E HN 0.711 nan 8.360 nan 0.000 0.427 131 K N 0.486 120.908 120.400 0.037 0.000 2.606 131 K HA 0.445 4.753 4.320 -0.020 0.000 0.196 131 K C -0.814 175.815 176.600 0.048 0.000 1.048 131 K CA -0.422 55.887 56.287 0.036 0.000 1.017 131 K CB 1.269 33.771 32.500 0.003 0.000 1.413 131 K HN 0.188 nan 8.250 nan 0.000 0.568 132 S N 0.850 116.590 115.700 0.066 0.000 2.600 132 S HA 0.351 4.808 4.470 -0.020 0.000 0.300 132 S C -0.617 174.038 174.600 0.091 0.000 1.087 132 S CA -0.576 57.669 58.200 0.075 0.000 0.965 132 S CB 1.852 65.096 63.200 0.073 0.000 1.089 132 S HN 0.567 nan 8.310 nan 0.000 0.496 133 S N 1.672 117.432 115.700 0.101 0.000 2.579 133 S HA 0.202 4.660 4.470 -0.020 0.000 0.275 133 S C 1.385 176.058 174.600 0.122 0.000 1.345 133 S CA 0.143 58.414 58.200 0.119 0.000 1.031 133 S CB 0.870 64.152 63.200 0.137 0.000 0.892 133 S HN 0.749 nan 8.310 nan 0.000 0.529 134 S N 2.281 118.067 115.700 0.142 0.000 2.357 134 S HA 0.005 4.463 4.470 -0.020 0.000 0.221 134 S C 0.941 175.681 174.600 0.232 0.000 1.031 134 S CA 1.053 59.361 58.200 0.179 0.000 0.982 134 S CB -0.644 62.665 63.200 0.181 0.000 0.853 134 S HN 0.937 nan 8.310 nan 0.000 0.458 135 S N 0.193 116.031 115.700 0.230 0.000 2.632 135 S HA 0.491 4.949 4.470 -0.020 0.000 0.267 135 S C -0.283 174.459 174.600 0.237 0.000 1.276 135 S CA -0.737 57.649 58.200 0.310 0.000 0.998 135 S CB 0.124 63.483 63.200 0.266 0.000 0.953 135 S HN 0.277 nan 8.310 nan 0.000 0.547 136 F N 1.073 121.319 119.950 0.494 0.000 2.443 136 F HA 0.242 4.757 4.527 -0.020 0.000 0.353 136 F C 1.284 177.294 175.800 0.349 0.000 1.101 136 F CA -0.812 57.397 58.000 0.349 0.000 1.226 136 F CB 0.775 39.946 39.000 0.286 0.000 1.140 136 F HN 0.515 nan 8.300 nan 0.000 0.557 137 L N 4.459 125.957 121.223 0.459 0.000 2.044 137 L HA 0.054 4.382 4.340 -0.020 0.000 0.205 137 L C 0.237 177.311 176.870 0.339 0.000 1.075 137 L CA 1.682 56.720 54.840 0.331 0.000 0.747 137 L CB -0.195 41.999 42.059 0.225 0.000 0.903 137 L HN 0.689 nan 8.230 nan 0.000 0.435 138 M N -3.472 116.315 119.600 0.311 0.000 2.732 138 M HA 0.500 4.968 4.480 -0.020 0.000 0.272 138 M C -1.486 174.812 176.300 -0.003 0.000 1.203 138 M CA -0.865 54.575 55.300 0.233 0.000 0.841 138 M CB 1.859 34.538 32.600 0.131 0.000 1.685 138 M HN -0.393 nan 8.290 nan 0.000 0.492 139 V N 1.916 121.743 119.914 -0.144 0.000 2.409 139 V HA 0.541 4.649 4.120 -0.020 0.000 0.291 139 V C -0.592 175.274 176.094 -0.380 0.000 1.020 139 V CA -0.751 61.268 62.300 -0.468 0.000 0.848 139 V CB 1.651 32.888 31.823 -0.978 0.000 0.990 139 V HN 0.683 nan 8.190 nan 0.000 0.430 140 V N 4.760 124.469 119.914 -0.342 0.000 2.348 140 V HA 0.603 4.711 4.120 -0.020 0.000 0.270 140 V C 0.909 176.754 176.094 -0.416 0.000 1.037 140 V CA -0.051 62.045 62.300 -0.339 0.000 0.872 140 V CB 1.200 32.894 31.823 -0.215 0.000 1.002 140 V HN 0.951 nan 8.190 nan 0.000 0.464 141 G N 3.735 112.226 108.800 -0.516 0.000 2.412 141 G HA2 0.629 4.577 3.960 -0.020 0.000 0.318 141 G HA3 0.629 4.577 3.960 -0.020 0.000 0.318 141 G C -1.065 173.675 174.900 -0.267 0.000 1.146 141 G CA -0.454 44.432 45.100 -0.356 0.000 0.882 141 G HN 0.543 nan 8.290 nan 0.000 0.501 142 V N 2.436 122.286 119.914 -0.105 0.000 2.525 142 V HA 0.499 4.607 4.120 -0.020 0.000 0.299 142 V C 0.176 176.194 176.094 -0.127 0.000 1.034 142 V CA -0.591 61.604 62.300 -0.174 0.000 0.863 142 V CB 0.991 32.710 31.823 -0.172 0.000 0.999 142 V HN 0.839 nan 8.190 nan 0.000 0.423 143 I N 0.930 121.397 120.570 -0.172 0.000 3.436 143 I HA 0.698 4.856 4.170 -0.020 0.000 0.296 143 I C -0.501 175.542 176.117 -0.124 0.000 1.143 143 I CA -0.820 60.419 61.300 -0.101 0.000 1.009 143 I CB 2.257 40.233 38.000 -0.040 0.000 1.301 143 I HN 0.570 nan 8.210 nan 0.000 0.503 144 N N 0.428 119.083 118.700 -0.076 0.000 2.461 144 N HA 0.276 5.003 4.740 -0.020 0.000 0.284 144 N C -0.078 175.410 175.510 -0.037 0.000 1.049 144 N CA -0.296 52.706 53.050 -0.081 0.000 0.889 144 N CB 2.144 40.580 38.487 -0.084 0.000 1.365 144 N HN 0.742 nan 8.380 nan 0.000 0.499 145 T N 0.786 115.320 114.554 -0.034 0.000 2.732 145 T HA -0.133 4.205 4.350 -0.020 0.000 0.261 145 T C 1.052 175.749 174.700 -0.004 0.000 1.040 145 T CA 1.327 63.422 62.100 -0.008 0.000 1.145 145 T CB -0.178 68.687 68.868 -0.005 0.000 0.866 145 T HN 0.692 nan 8.240 nan 0.000 0.427 146 D N 1.144 121.537 120.400 -0.011 0.000 2.363 146 D HA 0.136 4.764 4.640 -0.020 0.000 0.226 146 D C 1.320 177.616 176.300 -0.006 0.000 1.020 146 D CA 0.570 54.567 54.000 -0.006 0.000 0.892 146 D CB -0.987 39.808 40.800 -0.007 0.000 0.900 146 D HN 0.479 nan 8.370 nan 0.000 0.531 147 G N 1.049 109.843 108.800 -0.010 0.000 2.338 147 G HA2 -0.293 3.655 3.960 -0.020 0.000 0.296 147 G HA3 -0.293 3.655 3.960 -0.020 0.000 0.296 147 G C 0.743 175.640 174.900 -0.005 0.000 1.040 147 G CA 0.907 46.003 45.100 -0.006 0.000 1.004 147 G HN 0.595 nan 8.290 nan 0.000 0.509 148 T N -3.069 111.477 114.554 -0.013 0.000 3.054 148 T HA 0.550 4.887 4.350 -0.020 0.000 0.255 148 T C 0.853 175.550 174.700 -0.004 0.000 1.035 148 T CA 0.725 62.821 62.100 -0.007 0.000 0.941 148 T CB -0.013 68.849 68.868 -0.010 0.000 1.026 148 T HN 1.241 nan 8.240 nan 0.000 0.533 149 M N 0.817 120.410 119.600 -0.013 0.000 2.378 149 M HA 0.570 5.038 4.480 -0.020 0.000 0.289 149 M C -0.559 175.742 176.300 0.001 0.000 1.136 149 M CA -0.958 54.340 55.300 -0.002 0.000 0.917 149 M CB 1.872 34.456 32.600 -0.028 0.000 1.669 149 M HN 0.022 nan 8.290 nan 0.000 0.461 150 T N -0.886 113.686 114.554 0.030 0.000 2.766 150 T HA 0.148 4.486 4.350 -0.020 0.000 0.295 150 T C 1.177 175.884 174.700 0.012 0.000 1.024 150 T CA 0.107 62.227 62.100 0.032 0.000 1.018 150 T CB 0.751 69.659 68.868 0.067 0.000 1.002 150 T HN 0.923 nan 8.240 nan 0.000 0.532 151 Q N 0.653 120.458 119.800 0.008 0.000 2.226 151 Q HA -0.180 4.148 4.340 -0.020 0.000 0.204 151 Q C 1.653 177.634 176.000 -0.031 0.000 0.975 151 Q CA 1.430 57.224 55.803 -0.014 0.000 0.866 151 Q CB -0.261 28.470 28.738 -0.011 0.000 0.915 151 Q HN 0.879 nan 8.270 nan 0.000 0.440 152 E N 1.365 121.564 120.200 -0.002 0.000 2.152 152 E HA -0.170 4.168 4.350 -0.020 0.000 0.192 152 E C 1.212 177.695 176.600 -0.195 0.000 0.983 152 E CA 0.899 57.275 56.400 -0.040 0.000 0.818 152 E CB -0.281 29.487 29.700 0.113 0.000 0.758 152 E HN 0.409 nan 8.360 nan 0.000 0.467 153 D N 1.319 121.686 120.400 -0.056 0.000 2.097 153 D HA -0.065 4.563 4.640 -0.020 0.000 0.195 153 D C 2.243 178.459 176.300 -0.140 0.000 0.989 153 D CA 0.982 54.928 54.000 -0.090 0.000 0.827 153 D CB -0.059 40.776 40.800 0.057 0.000 0.966 153 D HN 0.236 nan 8.370 nan 0.000 0.456 154 I N 0.732 121.244 120.570 -0.097 0.000 2.179 154 I HA -0.232 3.926 4.170 -0.020 0.000 0.242 154 I C 2.555 178.625 176.117 -0.078 0.000 1.088 154 I CA 0.674 61.923 61.300 -0.085 0.000 1.357 154 I CB -0.244 37.705 38.000 -0.085 0.000 1.051 154 I HN -0.140 nan 8.210 nan 0.000 0.409 155 S N 0.349 115.979 115.700 -0.117 0.000 2.359 155 S HA -0.280 4.178 4.470 -0.020 0.000 0.224 155 S C 1.717 176.206 174.600 -0.186 0.000 1.035 155 S CA 2.071 60.194 58.200 -0.129 0.000 1.018 155 S CB -0.431 62.691 63.200 -0.130 0.000 0.876 155 S HN 0.539 nan 8.310 nan 0.000 0.448 156 D N -0.239 119.961 120.400 -0.332 0.000 2.097 156 D HA -0.176 4.452 4.640 -0.020 0.000 0.195 156 D C 1.788 177.977 176.300 -0.185 0.000 0.989 156 D CA 1.203 54.973 54.000 -0.384 0.000 0.827 156 D CB -0.267 40.002 40.800 -0.886 0.000 0.966 156 D HN 0.453 nan 8.370 nan 0.000 0.456 157 Y N 0.561 120.730 120.300 -0.218 0.000 2.070 157 Y HA -0.250 4.288 4.550 -0.020 0.000 0.280 157 Y C 2.295 178.127 175.900 -0.114 0.000 1.148 157 Y CA 1.838 59.856 58.100 -0.135 0.000 1.125 157 Y CB -0.633 37.742 38.460 -0.141 0.000 0.975 157 Y HN -0.079 nan 8.280 nan 0.000 0.492 158 V N 0.475 120.373 119.914 -0.026 0.000 2.250 158 V HA -0.433 3.675 4.120 -0.020 0.000 0.250 158 V C 2.652 178.652 176.094 -0.157 0.000 1.060 158 V CA 2.211 64.459 62.300 -0.087 0.000 1.030 158 V CB -1.724 30.060 31.823 -0.065 0.000 0.643 158 V HN 0.605 nan 8.190 nan 0.000 0.445 159 A N -0.454 122.276 122.820 -0.151 0.000 1.902 159 A HA -0.078 4.230 4.320 -0.020 0.000 0.217 159 A C 2.300 179.793 177.584 -0.152 0.000 1.181 159 A CA 2.240 54.192 52.037 -0.141 0.000 0.623 159 A CB -0.665 18.260 19.000 -0.126 0.000 0.818 159 A HN 0.633 nan 8.150 nan 0.000 0.443 160 A N -1.079 121.626 122.820 -0.192 0.000 2.081 160 A HA 0.077 4.385 4.320 -0.020 0.000 0.214 160 A C 1.567 179.003 177.584 -0.247 0.000 1.158 160 A CA 1.423 53.347 52.037 -0.188 0.000 0.724 160 A CB -0.200 18.705 19.000 -0.159 0.000 0.826 160 A HN 0.567 nan 8.150 nan 0.000 0.463 161 N N -2.080 116.393 118.700 -0.377 0.000 2.239 161 N HA 0.273 5.001 4.740 -0.020 0.000 0.208 161 N C 1.245 176.627 175.510 -0.213 0.000 1.200 161 N CA 0.443 53.252 53.050 -0.402 0.000 0.895 161 N CB 0.484 38.438 38.487 -0.889 0.000 1.085 161 N HN 0.375 nan 8.380 nan 0.000 0.500 162 M N -0.851 118.651 119.600 -0.165 0.000 2.724 162 M HA 0.216 4.683 4.480 -0.020 0.000 0.231 162 M C 1.746 178.009 176.300 -0.061 0.000 1.568 162 M CA 0.204 55.471 55.300 -0.054 0.000 1.153 162 M CB 0.115 32.720 32.600 0.010 0.000 1.345 162 M HN -0.134 nan 8.290 nan 0.000 0.555 163 K N 1.632 121.979 120.400 -0.089 0.000 2.000 163 K HA -0.247 4.061 4.320 -0.020 0.000 0.218 163 K C 1.311 177.870 176.600 -0.068 0.000 1.053 163 K CA 2.700 58.935 56.287 -0.087 0.000 0.946 163 K CB -0.133 32.304 32.500 -0.105 0.000 0.723 163 K HN 0.124 nan 8.250 nan 0.000 0.446 164 D N 0.032 120.391 120.400 -0.069 0.000 2.154 164 D HA -0.236 4.392 4.640 -0.020 0.000 0.190 164 D C 1.813 178.088 176.300 -0.042 0.000 1.003 164 D CA 1.835 55.802 54.000 -0.055 0.000 0.849 164 D CB -0.537 40.228 40.800 -0.058 0.000 0.942 164 D HN 0.464 nan 8.370 nan 0.000 0.446 165 A N 0.679 123.475 122.820 -0.040 0.000 1.908 165 A HA -0.166 4.142 4.320 -0.020 0.000 0.218 165 A C 2.220 179.792 177.584 -0.019 0.000 1.181 165 A CA 1.030 53.050 52.037 -0.027 0.000 0.627 165 A CB -0.489 18.498 19.000 -0.022 0.000 0.818 165 A HN 0.144 nan 8.150 nan 0.000 0.445 166 I N 0.888 121.445 120.570 -0.022 0.000 2.202 166 I HA -0.183 3.975 4.170 -0.020 0.000 0.242 166 I C 2.843 178.949 176.117 -0.018 0.000 1.091 166 I CA 2.067 63.357 61.300 -0.018 0.000 1.368 166 I CB -1.496 36.487 38.000 -0.029 0.000 1.058 166 I HN 0.537 nan 8.210 nan 0.000 0.410 167 S N 0.616 116.300 115.700 -0.027 0.000 2.447 167 S HA -0.125 4.333 4.470 -0.020 0.000 0.233 167 S C 2.064 176.657 174.600 -0.013 0.000 1.006 167 S CA 0.623 58.810 58.200 -0.022 0.000 0.957 167 S CB -0.406 62.775 63.200 -0.031 0.000 0.773 167 S HN 0.390 nan 8.310 nan 0.000 0.507 168 R N 0.848 121.339 120.500 -0.015 0.000 2.275 168 R HA 0.128 4.456 4.340 -0.020 0.000 0.199 168 R C 0.030 176.327 176.300 -0.005 0.000 0.989 168 R CA 0.485 56.578 56.100 -0.011 0.000 1.016 168 R CB -0.254 30.037 30.300 -0.015 0.000 0.918 168 R HN 0.338 nan 8.270 nan 0.000 0.473 169 T N 0.744 115.297 114.554 -0.003 0.000 2.853 169 T HA -0.018 4.320 4.350 -0.020 0.000 0.298 169 T C 0.131 174.835 174.700 0.008 0.000 0.978 169 T CA 0.243 62.345 62.100 0.003 0.000 1.152 169 T CB 1.339 70.211 68.868 0.007 0.000 0.914 169 T HN -0.009 nan 8.240 nan 0.000 0.539 170 S N 2.243 117.947 115.700 0.008 0.000 2.549 170 S HA 0.393 4.851 4.470 -0.020 0.000 0.286 170 S C 1.564 176.174 174.600 0.017 0.000 1.314 170 S CA 0.781 58.987 58.200 0.010 0.000 1.062 170 S CB -0.256 62.948 63.200 0.007 0.000 0.865 170 S HN 1.135 nan 8.310 nan 0.000 0.498 171 G N 2.824 111.636 108.800 0.020 0.000 2.241 171 G HA2 -0.228 3.720 3.960 -0.020 0.000 0.244 171 G HA3 -0.228 3.720 3.960 -0.020 0.000 0.244 171 G C 0.086 175.010 174.900 0.039 0.000 0.998 171 G CA 0.030 45.149 45.100 0.031 0.000 0.621 171 G HN 0.948 nan 8.290 nan 0.000 0.519 172 V N 2.167 122.100 119.914 0.033 0.000 2.387 172 V HA 0.533 4.640 4.120 -0.020 0.000 0.260 172 V C 1.663 177.778 176.094 0.035 0.000 1.054 172 V CA 0.948 63.270 62.300 0.037 0.000 0.967 172 V CB 0.841 32.678 31.823 0.023 0.000 1.036 172 V HN 0.554 nan 8.190 nan 0.000 0.481 173 G N 3.633 112.462 108.800 0.048 0.000 2.595 173 G HA2 0.070 4.018 3.960 -0.020 0.000 0.213 173 G HA3 0.070 4.018 3.960 -0.020 0.000 0.213 173 G C 0.149 175.076 174.900 0.045 0.000 1.141 173 G CA 0.287 45.414 45.100 0.046 0.000 0.806 173 G HN 0.648 nan 8.290 nan 0.000 0.530 174 D N -0.966 119.466 120.400 0.052 0.000 2.886 174 D HA 0.432 5.060 4.640 -0.020 0.000 0.216 174 D C -1.353 174.971 176.300 0.040 0.000 1.256 174 D CA -0.387 53.642 54.000 0.048 0.000 0.844 174 D CB 2.147 42.986 40.800 0.064 0.000 1.669 174 D HN -0.106 nan 8.370 nan 0.000 0.513 175 V N 3.094 123.007 119.914 -0.003 0.000 2.487 175 V HA 0.517 4.625 4.120 -0.020 0.000 0.298 175 V C -0.511 175.510 176.094 -0.122 0.000 1.028 175 V CA -0.667 61.595 62.300 -0.063 0.000 0.860 175 V CB 1.667 33.439 31.823 -0.085 0.000 0.991 175 V HN 0.529 nan 8.190 nan 0.000 0.427 176 Q N 3.408 123.060 119.800 -0.246 0.000 2.322 176 Q HA 0.522 4.849 4.340 -0.020 0.000 0.265 176 Q C -1.040 174.530 176.000 -0.717 0.000 0.985 176 Q CA -0.189 55.367 55.803 -0.412 0.000 0.849 176 Q CB 1.834 30.300 28.738 -0.454 0.000 1.274 176 Q HN 0.747 nan 8.270 nan 0.000 0.449 177 L N 5.240 126.172 121.223 -0.485 0.000 2.281 177 L HA 0.392 4.720 4.340 -0.020 0.000 0.285 177 L C -0.883 175.748 176.870 -0.398 0.000 1.074 177 L CA -0.348 54.235 54.840 -0.428 0.000 0.817 177 L CB 0.309 42.240 42.059 -0.213 0.000 1.168 177 L HN 0.778 nan 8.230 nan 0.000 0.434 178 F N 4.932 124.810 119.950 -0.121 0.000 2.567 178 F HA 0.453 4.968 4.527 -0.020 0.000 0.352 178 F C 1.095 176.866 175.800 -0.049 0.000 1.229 178 F CA 0.031 57.987 58.000 -0.073 0.000 1.228 178 F CB 0.378 39.385 39.000 0.011 0.000 1.568 178 F HN 0.683 nan 8.300 nan 0.000 0.634 179 G N 0.684 109.540 108.800 0.093 0.000 2.334 179 G HA2 0.198 4.146 3.960 -0.020 0.000 0.315 179 G HA3 0.198 4.146 3.960 -0.020 0.000 0.315 179 G C -1.726 173.143 174.900 -0.051 0.000 1.284 179 G CA -0.731 44.372 45.100 0.006 0.000 0.985 179 G HN 0.507 nan 8.290 nan 0.000 0.504 180 S N -1.158 114.481 115.700 -0.102 0.000 2.570 180 S HA 0.658 5.116 4.470 -0.020 0.000 0.286 180 S C -0.234 174.285 174.600 -0.136 0.000 1.099 180 S CA 0.010 58.141 58.200 -0.115 0.000 0.913 180 S CB 1.839 64.952 63.200 -0.145 0.000 1.085 180 S HN 0.910 nan 8.310 nan 0.000 0.480 181 Q N 2.170 121.912 119.800 -0.098 0.000 2.352 181 Q HA 0.199 4.527 4.340 -0.020 0.000 0.260 181 Q C -0.990 175.027 176.000 0.029 0.000 0.976 181 Q CA -0.320 55.435 55.803 -0.080 0.000 0.881 181 Q CB 0.290 29.002 28.738 -0.043 0.000 1.235 181 Q HN 0.705 nan 8.270 nan 0.000 0.419 182 Y N 1.061 121.369 120.300 0.013 0.000 2.805 182 Y HA 0.130 4.668 4.550 -0.020 0.000 0.337 182 Y C 0.468 176.446 175.900 0.130 0.000 1.252 182 Y CA 0.182 58.318 58.100 0.061 0.000 1.515 182 Y CB 0.238 38.756 38.460 0.097 0.000 1.305 182 Y HN 0.641 nan 8.280 nan 0.000 0.600 183 A N 3.387 126.395 122.820 0.314 0.000 2.485 183 A HA 0.686 4.994 4.320 -0.020 0.000 0.292 183 A C -0.877 176.732 177.584 0.042 0.000 1.147 183 A CA -1.109 51.105 52.037 0.295 0.000 0.750 183 A CB 1.250 20.424 19.000 0.289 0.000 1.331 183 A HN 0.665 nan 8.150 nan 0.000 0.419 184 M N 1.653 121.065 119.600 -0.313 0.000 2.220 184 M HA 0.331 4.799 4.480 -0.020 0.000 0.343 184 M C -0.406 175.584 176.300 -0.517 0.000 1.470 184 M CA 0.088 54.916 55.300 -0.785 0.000 1.161 184 M CB -0.203 31.359 32.600 -1.730 0.000 1.737 184 M HN 0.455 nan 8.290 nan 0.000 0.464 185 R N 5.742 125.973 120.500 -0.449 0.000 2.207 185 R HA 0.456 4.784 4.340 -0.020 0.000 0.334 185 R C -1.064 174.838 176.300 -0.664 0.000 1.013 185 R CA -0.291 55.435 56.100 -0.623 0.000 0.858 185 R CB -0.069 29.831 30.300 -0.666 0.000 1.094 185 R HN 0.759 nan 8.270 nan 0.000 0.457 186 I N 3.820 124.030 120.570 -0.601 0.000 2.388 186 I HA 0.241 4.399 4.170 -0.020 0.000 0.281 186 I C -0.404 175.556 176.117 -0.262 0.000 1.046 186 I CA -0.381 60.720 61.300 -0.331 0.000 1.187 186 I CB 0.637 38.534 38.000 -0.172 0.000 1.351 186 I HN 0.379 nan 8.210 nan 0.000 0.472 187 W N 7.335 128.658 121.300 0.038 0.000 2.422 187 W HA 0.424 5.071 4.660 -0.020 0.000 0.349 187 W C 0.163 176.734 176.519 0.087 0.000 1.062 187 W CA -0.733 56.647 57.345 0.058 0.000 1.497 187 W CB 0.179 29.661 29.460 0.037 0.000 1.407 187 W HN 0.259 nan 8.180 nan 0.000 0.393 188 M N 3.362 123.145 119.600 0.304 0.000 2.238 188 M HA 0.030 4.498 4.480 -0.020 0.000 0.347 188 M C 0.532 176.933 176.300 0.169 0.000 1.173 188 M CA 0.393 55.835 55.300 0.237 0.000 1.147 188 M CB 0.387 33.157 32.600 0.283 0.000 1.547 188 M HN 0.317 nan 8.290 nan 0.000 0.455 189 N N 4.202 122.902 118.700 -0.000 0.000 2.424 189 N HA 0.305 5.033 4.740 -0.020 0.000 0.271 189 N C -2.180 173.046 175.510 -0.473 0.000 0.985 189 N CA -1.864 50.990 53.050 -0.327 0.000 0.921 189 N CB 1.861 40.237 38.487 -0.184 0.000 1.149 189 N HN 0.310 nan 8.380 nan 0.000 0.492 190 P HA -0.007 nan 4.420 nan 0.000 0.221 190 P C 0.657 177.628 177.300 -0.548 0.000 1.155 190 P CA 0.827 63.361 63.100 -0.944 0.000 0.812 190 P CB 0.621 31.199 31.700 -1.870 0.000 0.801 191 N N 0.733 119.111 118.700 -0.537 0.000 2.120 191 N HA -0.145 4.583 4.740 -0.020 0.000 0.188 191 N C 1.697 177.027 175.510 -0.301 0.000 1.024 191 N CA 1.271 54.119 53.050 -0.338 0.000 0.852 191 N CB -0.461 37.875 38.487 -0.252 0.000 1.003 191 N HN 0.402 nan 8.380 nan 0.000 0.424 192 E N 0.672 120.712 120.200 -0.266 0.000 2.112 192 E HA 0.007 4.345 4.350 -0.020 0.000 0.190 192 E C 2.163 178.684 176.600 -0.132 0.000 0.979 192 E CA 0.253 56.522 56.400 -0.218 0.000 0.814 192 E CB -0.076 29.597 29.700 -0.046 0.000 0.762 192 E HN 0.247 nan 8.360 nan 0.000 0.460 193 L N 1.515 122.694 121.223 -0.073 0.000 2.042 193 L HA -0.243 4.085 4.340 -0.020 0.000 0.210 193 L C 2.514 179.376 176.870 -0.014 0.000 1.076 193 L CA 1.274 56.132 54.840 0.030 0.000 0.749 193 L CB -0.505 41.588 42.059 0.056 0.000 0.893 193 L HN 0.258 nan 8.230 nan 0.000 0.432 194 N N 0.334 118.953 118.700 -0.135 0.000 2.058 194 N HA -0.284 4.443 4.740 -0.020 0.000 0.191 194 N C 1.945 177.301 175.510 -0.255 0.000 1.037 194 N CA 1.323 54.235 53.050 -0.230 0.000 0.848 194 N CB 0.061 38.289 38.487 -0.431 0.000 1.021 194 N HN 0.055 nan 8.380 nan 0.000 0.422 195 K N 0.192 120.376 120.400 -0.361 0.000 2.228 195 K HA -0.137 4.171 4.320 -0.020 0.000 0.205 195 K C 0.669 176.936 176.600 -0.555 0.000 1.045 195 K CA 1.555 57.524 56.287 -0.529 0.000 0.931 195 K CB -0.231 31.814 32.500 -0.759 0.000 0.727 195 K HN 0.344 nan 8.250 nan 0.000 0.458 196 F N -0.887 119.029 119.950 -0.057 0.000 2.688 196 F HA 0.242 4.757 4.527 -0.020 0.000 0.310 196 F C -0.135 175.653 175.800 -0.019 0.000 1.098 196 F CA -0.792 57.189 58.000 -0.032 0.000 1.228 196 F CB 0.497 39.485 39.000 -0.019 0.000 1.042 196 F HN -0.105 nan 8.300 nan 0.000 0.557 197 Q N 1.422 121.278 119.800 0.094 0.000 2.470 197 Q HA -0.134 4.194 4.340 -0.020 0.000 0.294 197 Q C -1.343 174.720 176.000 0.106 0.000 1.356 197 Q CA 0.486 56.334 55.803 0.075 0.000 0.805 197 Q CB -1.443 27.335 28.738 0.067 0.000 1.157 197 Q HN 0.460 nan 8.270 nan 0.000 0.431 198 L N -0.463 120.835 121.223 0.125 0.000 2.370 198 L HA 0.811 5.138 4.340 -0.020 0.000 0.266 198 L C 0.366 177.335 176.870 0.165 0.000 1.002 198 L CA -0.529 54.393 54.840 0.137 0.000 0.818 198 L CB 2.227 44.373 42.059 0.146 0.000 1.325 198 L HN 0.219 nan 8.230 nan 0.000 0.418 199 T N -2.409 112.246 114.554 0.168 0.000 2.908 199 T HA 0.445 4.783 4.350 -0.020 0.000 0.290 199 T C -2.321 172.497 174.700 0.197 0.000 1.034 199 T CA -2.111 60.120 62.100 0.218 0.000 1.010 199 T CB 2.111 71.098 68.868 0.198 0.000 1.068 199 T HN 0.222 nan 8.240 nan 0.000 0.481 200 P HA -0.160 nan 4.420 nan 0.000 0.218 200 P C 1.761 179.134 177.300 0.121 0.000 1.152 200 P CA 0.800 64.008 63.100 0.181 0.000 0.857 200 P CB -0.280 31.524 31.700 0.174 0.000 0.787 201 V N 0.292 120.275 119.914 0.114 0.000 2.380 201 V HA -0.268 3.840 4.120 -0.020 0.000 0.251 201 V C 1.993 178.125 176.094 0.064 0.000 1.063 201 V CA 2.085 64.431 62.300 0.078 0.000 1.055 201 V CB -1.231 30.634 31.823 0.070 0.000 0.657 201 V HN 0.210 nan 8.190 nan 0.000 0.455 202 D N 0.187 120.632 120.400 0.076 0.000 2.123 202 D HA -0.089 4.539 4.640 -0.020 0.000 0.200 202 D C 2.259 178.591 176.300 0.053 0.000 0.976 202 D CA 1.371 55.406 54.000 0.059 0.000 0.831 202 D CB 0.028 40.868 40.800 0.067 0.000 0.974 202 D HN 0.387 nan 8.370 nan 0.000 0.469 203 V N 2.186 122.142 119.914 0.070 0.000 2.255 203 V HA -0.257 3.851 4.120 -0.020 0.000 0.247 203 V C 2.624 178.747 176.094 0.047 0.000 1.051 203 V CA 1.313 63.652 62.300 0.064 0.000 1.018 203 V CB -0.481 31.394 31.823 0.087 0.000 0.641 203 V HN 0.179 nan 8.190 nan 0.000 0.445 204 I N 0.073 120.670 120.570 0.044 0.000 2.118 204 I HA -0.301 3.857 4.170 -0.020 0.000 0.241 204 I C 2.575 178.698 176.117 0.010 0.000 1.070 204 I CA 2.195 63.509 61.300 0.022 0.000 1.327 204 I CB -0.832 37.179 38.000 0.019 0.000 1.034 204 I HN 0.348 nan 8.210 nan 0.000 0.405 205 T N 0.752 115.315 114.554 0.015 0.000 2.788 205 T HA -0.160 4.178 4.350 -0.020 0.000 0.268 205 T C 2.019 176.719 174.700 0.001 0.000 1.044 205 T CA 1.417 63.520 62.100 0.005 0.000 1.139 205 T CB -0.316 68.557 68.868 0.010 0.000 0.867 205 T HN 0.505 nan 8.240 nan 0.000 0.454 206 A N 1.239 124.063 122.820 0.007 0.000 1.877 206 A HA -0.023 4.285 4.320 -0.020 0.000 0.216 206 A C 2.280 179.860 177.584 -0.008 0.000 1.186 206 A CA 1.263 53.299 52.037 -0.002 0.000 0.620 206 A CB -0.744 18.258 19.000 0.003 0.000 0.822 206 A HN 0.528 nan 8.150 nan 0.000 0.443 207 I N -0.820 119.756 120.570 0.010 0.000 2.179 207 I HA -0.255 3.903 4.170 -0.020 0.000 0.242 207 I C 2.445 178.563 176.117 0.002 0.000 1.088 207 I CA 1.648 62.962 61.300 0.023 0.000 1.357 207 I CB -0.340 37.707 38.000 0.079 0.000 1.051 207 I HN 0.232 nan 8.210 nan 0.000 0.409 208 K N 0.807 121.202 120.400 -0.009 0.000 2.160 208 K HA -0.190 4.118 4.320 -0.020 0.000 0.206 208 K C 2.069 178.653 176.600 -0.027 0.000 1.047 208 K CA 1.742 58.014 56.287 -0.025 0.000 0.930 208 K CB -0.181 32.299 32.500 -0.033 0.000 0.720 208 K HN 0.394 nan 8.250 nan 0.000 0.450 209 A N -0.118 122.685 122.820 -0.028 0.000 1.956 209 A HA -0.018 4.290 4.320 -0.020 0.000 0.212 209 A C 1.662 179.219 177.584 -0.045 0.000 1.188 209 A CA 0.572 52.590 52.037 -0.032 0.000 0.675 209 A CB 0.080 19.064 19.000 -0.026 0.000 0.845 209 A HN 0.197 nan 8.150 nan 0.000 0.455 210 Q N -0.838 118.927 119.800 -0.059 0.000 2.360 210 Q HA 0.096 4.424 4.340 -0.020 0.000 0.202 210 Q C -0.208 175.708 176.000 -0.140 0.000 0.915 210 Q CA 0.068 55.817 55.803 -0.091 0.000 0.943 210 Q CB 0.234 28.915 28.738 -0.096 0.000 1.064 210 Q HN 0.539 nan 8.270 nan 0.000 0.511 211 N N 0.717 119.350 118.700 -0.111 0.000 2.790 211 N HA 0.422 5.150 4.740 -0.020 0.000 0.256 211 N C -1.835 173.657 175.510 -0.029 0.000 1.409 211 N CA -0.194 52.788 53.050 -0.113 0.000 0.799 211 N CB 0.911 39.325 38.487 -0.122 0.000 1.170 211 N HN 0.076 nan 8.380 nan 0.000 0.507 212 A N 1.236 124.038 122.820 -0.031 0.000 2.498 212 A HA 0.646 4.953 4.320 -0.020 0.000 0.298 212 A C -1.103 176.477 177.584 -0.007 0.000 1.075 212 A CA -0.694 51.336 52.037 -0.012 0.000 0.714 212 A CB 1.478 20.466 19.000 -0.020 0.000 1.299 212 A HN 0.359 nan 8.150 nan 0.000 0.407 213 Q N 0.669 120.469 119.800 0.000 0.000 2.257 213 Q HA 0.527 4.855 4.340 -0.020 0.000 0.255 213 Q C -1.054 174.942 176.000 -0.007 0.000 0.920 213 Q CA -0.237 55.565 55.803 -0.001 0.000 0.927 213 Q CB 1.819 30.559 28.738 0.004 0.000 1.229 213 Q HN 0.466 nan 8.270 nan 0.000 0.433 214 V N 1.635 121.544 119.914 -0.009 0.000 2.487 214 V HA 0.517 4.625 4.120 -0.020 0.000 0.298 214 V C -0.405 175.683 176.094 -0.009 0.000 1.028 214 V CA -0.998 61.296 62.300 -0.010 0.000 0.860 214 V CB 1.820 33.636 31.823 -0.013 0.000 0.991 214 V HN 0.828 nan 8.190 nan 0.000 0.427 215 A N 3.715 126.530 122.820 -0.008 0.000 2.347 215 A HA 0.686 4.993 4.320 -0.020 0.000 0.287 215 A C 0.894 178.473 177.584 -0.008 0.000 1.199 215 A CA 0.397 52.429 52.037 -0.008 0.000 0.851 215 A CB 0.692 19.688 19.000 -0.007 0.000 1.118 215 A HN 1.351 nan 8.150 nan 0.000 0.525 216 A N 2.571 125.386 122.820 -0.008 0.000 2.431 216 A HA 0.573 4.881 4.320 -0.020 0.000 0.239 216 A C 1.322 178.902 177.584 -0.007 0.000 1.230 216 A CA 0.981 53.013 52.037 -0.008 0.000 0.928 216 A CB -0.699 18.296 19.000 -0.009 0.000 1.006 216 A HN 2.701 nan 8.150 nan 0.000 0.520 217 G N -0.605 108.191 108.800 -0.007 0.000 2.584 217 G HA2 -0.140 3.807 3.960 -0.020 0.000 0.229 217 G HA3 -0.140 3.807 3.960 -0.020 0.000 0.229 217 G C -0.485 174.412 174.900 -0.006 0.000 1.320 217 G CA -0.007 45.089 45.100 -0.006 0.000 0.891 217 G HN 0.661 nan 8.290 nan 0.000 0.573 218 Q N -1.233 118.563 119.800 -0.006 0.000 2.456 218 Q HA 0.660 4.988 4.340 -0.020 0.000 0.283 218 Q C -0.500 175.497 176.000 -0.005 0.000 1.084 218 Q CA -0.935 54.864 55.803 -0.005 0.000 0.801 218 Q CB 2.427 31.162 28.738 -0.005 0.000 1.434 218 Q HN 0.562 nan 8.270 nan 0.000 0.419 219 L N 0.640 121.861 121.223 -0.005 0.000 2.326 219 L HA 0.375 4.703 4.340 -0.020 0.000 0.278 219 L C 1.007 177.874 176.870 -0.004 0.000 1.092 219 L CA 0.321 55.159 54.840 -0.005 0.000 0.810 219 L CB 0.744 42.800 42.059 -0.005 0.000 1.153 219 L HN 1.022 nan 8.230 nan 0.000 0.439 220 G N 2.539 111.337 108.800 -0.004 0.000 2.305 220 G HA2 -0.217 3.731 3.960 -0.020 0.000 0.287 220 G HA3 -0.217 3.731 3.960 -0.020 0.000 0.287 220 G C 0.543 175.440 174.900 -0.004 0.000 1.036 220 G CA 0.105 45.203 45.100 -0.004 0.000 0.887 220 G HN 0.992 nan 8.290 nan 0.000 0.505 221 G N -1.215 107.582 108.800 -0.004 0.000 2.667 221 G HA2 0.503 4.451 3.960 -0.020 0.000 0.250 221 G HA3 0.503 4.451 3.960 -0.020 0.000 0.250 221 G C 0.337 175.235 174.900 -0.004 0.000 1.212 221 G CA 0.703 45.800 45.100 -0.004 0.000 0.874 221 G HN 0.772 nan 8.290 nan 0.000 0.561 222 T N 1.295 115.847 114.554 -0.004 0.000 2.882 222 T HA 0.531 4.869 4.350 -0.020 0.000 0.287 222 T C -1.720 172.978 174.700 -0.004 0.000 0.992 222 T CA -1.159 60.938 62.100 -0.004 0.000 1.076 222 T CB 0.832 69.698 68.868 -0.004 0.000 0.961 222 T HN 0.493 nan 8.240 nan 0.000 0.490 223 P HA 0.447 nan 4.420 nan 0.000 0.280 223 P C -2.654 174.644 177.300 -0.003 0.000 1.244 223 P CA -1.193 61.905 63.100 -0.003 0.000 0.784 223 P CB 0.362 32.060 31.700 -0.003 0.000 0.913 224 P HA 0.199 nan 4.420 nan 0.000 0.284 224 P C -0.351 176.948 177.300 -0.003 0.000 1.287 224 P CA -0.650 62.449 63.100 -0.003 0.000 0.824 224 P CB 0.596 32.294 31.700 -0.003 0.000 1.180 225 V N -2.152 117.760 119.914 -0.003 0.000 2.953 225 V HA 0.320 4.428 4.120 -0.020 0.000 0.304 225 V C 0.403 176.495 176.094 -0.003 0.000 1.073 225 V CA -0.843 61.455 62.300 -0.003 0.000 1.064 225 V CB 0.130 31.951 31.823 -0.003 0.000 1.047 225 V HN 0.520 nan 8.190 nan 0.000 0.478 226 K N 2.349 122.748 120.400 -0.002 0.000 2.447 226 K HA 0.442 4.750 4.320 -0.020 0.000 0.281 226 K C 1.062 177.660 176.600 -0.002 0.000 1.031 226 K CA 0.989 57.275 56.287 -0.002 0.000 1.019 226 K CB 0.062 32.560 32.500 -0.002 0.000 0.918 226 K HN 1.629 nan 8.250 nan 0.000 0.476 227 G N 2.450 111.249 108.800 -0.002 0.000 2.179 227 G HA2 -0.255 3.693 3.960 -0.020 0.000 0.220 227 G HA3 -0.255 3.693 3.960 -0.020 0.000 0.220 227 G C -0.138 174.760 174.900 -0.002 0.000 0.990 227 G CA 0.094 45.192 45.100 -0.002 0.000 0.646 227 G HN 0.632 nan 8.290 nan 0.000 0.517 228 Q N 0.512 120.310 119.800 -0.003 0.000 2.315 228 Q HA 0.510 4.838 4.340 -0.020 0.000 0.289 228 Q C 1.208 177.206 176.000 -0.003 0.000 1.044 228 Q CA 1.124 56.925 55.803 -0.003 0.000 0.920 228 Q CB 0.695 29.431 28.738 -0.003 0.000 1.214 228 Q HN 0.544 nan 8.270 nan 0.000 0.392 229 Q N 2.584 122.382 119.800 -0.003 0.000 2.353 229 Q HA 0.290 4.618 4.340 -0.020 0.000 0.240 229 Q C -0.639 175.360 176.000 -0.003 0.000 0.868 229 Q CA -0.154 55.648 55.803 -0.003 0.000 0.944 229 Q CB 0.637 29.373 28.738 -0.003 0.000 1.104 229 Q HN 0.648 nan 8.270 nan 0.000 0.531 230 L N 0.874 122.095 121.223 -0.003 0.000 2.331 230 L HA 0.477 4.805 4.340 -0.020 0.000 0.275 230 L C -1.279 175.589 176.870 -0.003 0.000 1.022 230 L CA -0.157 54.681 54.840 -0.003 0.000 0.812 230 L CB 1.823 43.880 42.059 -0.003 0.000 1.257 230 L HN -0.017 nan 8.230 nan 0.000 0.435 231 N N 3.841 122.539 118.700 -0.004 0.000 2.572 231 N HA 0.687 5.415 4.740 -0.020 0.000 0.287 231 N C -1.975 173.533 175.510 -0.004 0.000 1.136 231 N CA -0.179 52.868 53.050 -0.004 0.000 0.900 231 N CB 1.611 40.096 38.487 -0.004 0.000 1.484 231 N HN 0.857 nan 8.380 nan 0.000 0.526 232 A N 1.963 124.781 122.820 -0.004 0.000 2.556 232 A HA 0.632 4.940 4.320 -0.020 0.000 0.294 232 A C -0.654 176.927 177.584 -0.005 0.000 1.091 232 A CA -0.530 51.504 52.037 -0.005 0.000 0.704 232 A CB 1.568 20.566 19.000 -0.004 0.000 1.300 232 A HN 0.447 nan 8.150 nan 0.000 0.406 233 S N 0.440 116.137 115.700 -0.005 0.000 2.549 233 S HA 0.356 4.814 4.470 -0.020 0.000 0.279 233 S C -0.009 174.588 174.600 -0.006 0.000 1.321 233 S CA 0.030 58.227 58.200 -0.006 0.000 1.054 233 S CB -0.064 63.132 63.200 -0.006 0.000 0.899 233 S HN 0.420 nan 8.310 nan 0.000 0.497 234 I N 4.643 125.209 120.570 -0.006 0.000 2.312 234 I HA 0.212 4.370 4.170 -0.020 0.000 0.291 234 I C -0.352 175.761 176.117 -0.007 0.000 1.031 234 I CA -0.352 60.944 61.300 -0.007 0.000 1.293 234 I CB 0.471 38.467 38.000 -0.007 0.000 1.403 234 I HN 0.361 nan 8.210 nan 0.000 0.484 235 I N 5.957 126.522 120.570 -0.007 0.000 2.353 235 I HA 0.460 4.618 4.170 -0.020 0.000 0.293 235 I C 0.712 176.823 176.117 -0.009 0.000 0.992 235 I CA -0.005 61.290 61.300 -0.008 0.000 1.268 235 I CB 0.983 38.978 38.000 -0.007 0.000 1.387 235 I HN 0.616 nan 8.210 nan 0.000 0.478 236 A N 6.151 128.964 122.820 -0.010 0.000 3.596 236 A HA 0.335 4.643 4.320 -0.020 0.000 0.189 236 A C 0.274 177.849 177.584 -0.015 0.000 1.478 236 A CA -0.180 51.849 52.037 -0.013 0.000 1.680 236 A CB 0.025 19.017 19.000 -0.013 0.000 1.562 236 A HN 0.669 nan 8.150 nan 0.000 0.575 237 Q N 0.707 120.496 119.800 -0.018 0.000 2.296 237 Q HA 0.422 4.750 4.340 -0.020 0.000 0.262 237 Q C -0.481 175.508 176.000 -0.018 0.000 0.981 237 Q CA 0.085 55.875 55.803 -0.022 0.000 0.905 237 Q CB 0.485 29.207 28.738 -0.027 0.000 1.186 237 Q HN 0.754 nan 8.270 nan 0.000 0.399 238 T N 1.171 115.714 114.554 -0.018 0.000 2.940 238 T HA 0.515 4.853 4.350 -0.020 0.000 0.288 238 T C -0.039 174.656 174.700 -0.009 0.000 1.033 238 T CA -1.133 60.961 62.100 -0.009 0.000 1.033 238 T CB 1.195 70.061 68.868 -0.003 0.000 1.079 238 T HN 0.493 nan 8.240 nan 0.000 0.496 239 R N 1.291 121.800 120.500 0.014 0.000 2.758 239 R HA 0.196 4.523 4.340 -0.020 0.000 0.263 239 R C 0.385 176.709 176.300 0.041 0.000 1.010 239 R CA -0.164 55.962 56.100 0.043 0.000 1.114 239 R CB -0.090 30.270 30.300 0.100 0.000 0.985 239 R HN 0.636 nan 8.270 nan 0.000 0.439 240 L N 0.740 121.971 121.223 0.012 0.000 2.475 240 L HA 0.162 4.490 4.340 -0.020 0.000 0.253 240 L C 1.393 178.434 176.870 0.286 0.000 1.198 240 L CA 0.053 54.884 54.840 -0.015 0.000 0.814 240 L CB 0.463 42.239 42.059 -0.471 0.000 1.134 240 L HN 0.653 nan 8.230 nan 0.000 0.478 241 T N -2.019 112.704 114.554 0.282 0.000 2.980 241 T HA 0.072 4.410 4.350 -0.020 0.000 0.252 241 T C 0.306 175.244 174.700 0.397 0.000 0.962 241 T CA 0.059 62.358 62.100 0.332 0.000 0.932 241 T CB 0.502 69.465 68.868 0.158 0.000 1.188 241 T HN 0.718 nan 8.240 nan 0.000 0.500 242 S N 0.064 115.964 115.700 0.333 0.000 2.599 242 S HA 0.469 4.926 4.470 -0.020 0.000 0.294 242 S C 1.011 175.785 174.600 0.290 0.000 1.094 242 S CA -0.446 57.913 58.200 0.264 0.000 0.931 242 S CB 1.550 64.844 63.200 0.156 0.000 1.093 242 S HN -0.056 nan 8.310 nan 0.000 0.488 243 T N 1.454 116.101 114.554 0.155 0.000 2.624 243 T HA -0.267 4.071 4.350 -0.020 0.000 0.266 243 T C 1.574 176.355 174.700 0.134 0.000 1.050 243 T CA 2.445 64.601 62.100 0.094 0.000 1.163 243 T CB -0.802 68.090 68.868 0.039 0.000 0.861 243 T HN 0.879 nan 8.240 nan 0.000 0.443 244 E N 0.725 120.989 120.200 0.107 0.000 2.049 244 E HA -0.235 4.103 4.350 -0.020 0.000 0.198 244 E C 2.209 178.853 176.600 0.073 0.000 1.007 244 E CA 1.800 58.246 56.400 0.078 0.000 0.809 244 E CB -0.085 29.650 29.700 0.059 0.000 0.749 244 E HN 0.780 nan 8.360 nan 0.000 0.450 245 E N -0.816 119.427 120.200 0.072 0.000 2.285 245 E HA -0.128 4.210 4.350 -0.020 0.000 0.194 245 E C 1.897 178.445 176.600 -0.086 0.000 0.997 245 E CA 0.427 56.816 56.400 -0.018 0.000 0.845 245 E CB -0.329 29.332 29.700 -0.065 0.000 0.782 245 E HN 0.311 nan 8.360 nan 0.000 0.491 246 F N 2.297 122.228 119.950 -0.032 0.000 2.234 246 F HA 0.042 4.556 4.527 -0.021 0.000 0.299 246 F C 2.548 178.324 175.800 -0.041 0.000 1.087 246 F CA 1.303 59.270 58.000 -0.055 0.000 1.340 246 F CB -0.462 38.474 39.000 -0.107 0.000 1.031 246 F HN 0.142 nan 8.300 nan 0.000 0.500 247 G N 0.006 108.889 108.800 0.138 0.000 2.446 247 G HA2 -0.257 3.691 3.960 -0.020 0.000 0.217 247 G HA3 -0.257 3.691 3.960 -0.020 0.000 0.217 247 G C 1.589 176.506 174.900 0.029 0.000 1.168 247 G CA 0.601 45.744 45.100 0.073 0.000 0.771 247 G HN 0.268 nan 8.290 nan 0.000 0.551 248 K N -0.072 120.332 120.400 0.006 0.000 2.525 248 K HA 0.192 4.500 4.320 -0.020 0.000 0.192 248 K C 0.430 177.005 176.600 -0.042 0.000 1.029 248 K CA -0.356 55.918 56.287 -0.021 0.000 1.029 248 K CB 0.044 32.529 32.500 -0.025 0.000 0.814 248 K HN 0.314 nan 8.250 nan 0.000 0.503 249 I N 2.567 123.110 120.570 -0.046 0.000 2.741 249 I HA -0.132 4.025 4.170 -0.020 0.000 0.288 249 I C 0.103 176.193 176.117 -0.044 0.000 1.192 249 I CA -0.272 60.992 61.300 -0.059 0.000 1.426 249 I CB 0.182 38.150 38.000 -0.053 0.000 1.367 249 I HN 0.031 nan 8.210 nan 0.000 0.563 250 L N 8.161 129.353 121.223 -0.051 0.000 2.319 250 L HA 0.218 4.545 4.340 -0.020 0.000 0.280 250 L C 0.324 177.166 176.870 -0.046 0.000 1.099 250 L CA 0.473 55.281 54.840 -0.053 0.000 0.828 250 L CB 0.777 42.805 42.059 -0.051 0.000 1.150 250 L HN 0.589 nan 8.230 nan 0.000 0.442 251 L N 3.245 124.433 121.223 -0.058 0.000 2.347 251 L HA 0.337 4.665 4.340 -0.020 0.000 0.196 251 L C 0.567 177.409 176.870 -0.047 0.000 1.072 251 L CA 0.157 54.971 54.840 -0.044 0.000 0.817 251 L CB -0.026 42.007 42.059 -0.043 0.000 1.029 251 L HN 0.580 nan 8.230 nan 0.000 0.478 252 K N 0.347 120.700 120.400 -0.078 0.000 2.542 252 K HA 0.408 4.716 4.320 -0.020 0.000 0.259 252 K C -1.441 175.111 176.600 -0.081 0.000 0.932 252 K CA -0.540 55.708 56.287 -0.065 0.000 0.820 252 K CB 2.578 35.046 32.500 -0.053 0.000 1.345 252 K HN -0.148 nan 8.250 nan 0.000 0.432 253 V N 1.360 121.244 119.914 -0.051 0.000 2.350 253 V HA 0.447 4.555 4.120 -0.020 0.000 0.276 253 V C 0.066 176.142 176.094 -0.030 0.000 1.028 253 V CA -1.089 61.183 62.300 -0.046 0.000 0.860 253 V CB 0.881 32.684 31.823 -0.034 0.000 0.990 253 V HN 0.640 nan 8.190 nan 0.000 0.453 254 N N 3.226 121.908 118.700 -0.031 0.000 2.371 254 N HA 0.096 4.823 4.740 -0.020 0.000 0.243 254 N C 1.064 176.574 175.510 0.001 0.000 1.287 254 N CA -0.036 53.011 53.050 -0.005 0.000 0.911 254 N CB 0.855 39.345 38.487 0.005 0.000 1.142 254 N HN 0.765 nan 8.380 nan 0.000 0.451 255 Q N 0.381 120.187 119.800 0.011 0.000 2.096 255 Q HA -0.166 4.162 4.340 -0.020 0.000 0.204 255 Q C 1.091 177.094 176.000 0.006 0.000 0.982 255 Q CA 1.676 57.484 55.803 0.009 0.000 0.850 255 Q CB -0.060 28.685 28.738 0.013 0.000 0.901 255 Q HN 0.663 nan 8.270 nan 0.000 0.422 256 D N -1.988 118.418 120.400 0.010 0.000 2.348 256 D HA -0.058 4.570 4.640 -0.020 0.000 0.216 256 D C 1.109 177.410 176.300 0.002 0.000 0.970 256 D CA 1.129 55.133 54.000 0.008 0.000 0.889 256 D CB 0.090 40.898 40.800 0.013 0.000 0.912 256 D HN 0.393 nan 8.370 nan 0.000 0.524 257 G N 0.611 109.409 108.800 -0.003 0.000 2.179 257 G HA2 -0.265 3.683 3.960 -0.020 0.000 0.220 257 G HA3 -0.265 3.683 3.960 -0.020 0.000 0.220 257 G C 0.335 175.224 174.900 -0.018 0.000 0.990 257 G CA 0.281 45.375 45.100 -0.010 0.000 0.646 257 G HN 0.725 nan 8.290 nan 0.000 0.517 258 S N 0.531 116.220 115.700 -0.017 0.000 2.565 258 S HA 0.665 5.123 4.470 -0.020 0.000 0.276 258 S C 0.336 174.900 174.600 -0.060 0.000 1.326 258 S CA -0.495 57.688 58.200 -0.028 0.000 1.045 258 S CB 1.302 64.494 63.200 -0.013 0.000 0.918 258 S HN 0.511 nan 8.310 nan 0.000 0.505 259 R N 1.743 122.199 120.500 -0.073 0.000 2.221 259 R HA 0.393 4.721 4.340 -0.020 0.000 0.327 259 R C -1.101 175.097 176.300 -0.170 0.000 1.033 259 R CA -0.630 55.410 56.100 -0.100 0.000 0.887 259 R CB 0.931 31.188 30.300 -0.072 0.000 1.057 259 R HN 0.497 nan 8.270 nan 0.000 0.455 260 V N 6.362 126.132 119.914 -0.240 0.000 2.348 260 V HA 0.238 4.346 4.120 -0.020 0.000 0.270 260 V C 0.283 176.228 176.094 -0.249 0.000 1.037 260 V CA -0.334 61.725 62.300 -0.402 0.000 0.872 260 V CB 0.626 32.067 31.823 -0.636 0.000 1.002 260 V HN 0.562 nan 8.190 nan 0.000 0.464 261 L N 4.075 125.181 121.223 -0.194 0.000 2.334 261 L HA 0.422 4.750 4.340 -0.020 0.000 0.270 261 L C 1.159 177.993 176.870 -0.060 0.000 1.018 261 L CA -0.771 54.010 54.840 -0.099 0.000 0.811 261 L CB 1.261 43.282 42.059 -0.063 0.000 1.271 261 L HN 0.441 nan 8.230 nan 0.000 0.443 262 L N 1.280 122.493 121.223 -0.017 0.000 2.127 262 L HA -0.132 4.196 4.340 -0.020 0.000 0.211 262 L C 2.523 179.418 176.870 0.042 0.000 1.089 262 L CA 1.708 56.562 54.840 0.024 0.000 0.757 262 L CB -0.779 41.309 42.059 0.049 0.000 0.899 262 L HN 0.619 nan 8.230 nan 0.000 0.434 263 R N -0.649 119.870 120.500 0.032 0.000 2.200 263 R HA -0.159 4.169 4.340 -0.020 0.000 0.234 263 R C 0.930 177.263 176.300 0.054 0.000 1.127 263 R CA 1.591 57.717 56.100 0.044 0.000 0.989 263 R CB -0.170 30.148 30.300 0.031 0.000 0.869 263 R HN 0.513 nan 8.270 nan 0.000 0.459 264 D N -0.786 119.641 120.400 0.044 0.000 2.389 264 D HA -0.039 4.588 4.640 -0.020 0.000 0.206 264 D C 1.457 177.862 176.300 0.176 0.000 1.055 264 D CA 0.653 54.706 54.000 0.089 0.000 0.856 264 D CB 0.808 41.614 40.800 0.009 0.000 0.957 264 D HN 0.262 nan 8.370 nan 0.000 0.509 265 V N -2.788 117.208 119.914 0.136 0.000 3.605 265 V HA 0.691 4.799 4.120 -0.020 0.000 0.284 265 V C 0.452 176.609 176.094 0.105 0.000 1.386 265 V CA 0.030 62.419 62.300 0.148 0.000 1.053 265 V CB 0.290 32.210 31.823 0.162 0.000 0.857 265 V HN 0.027 nan 8.190 nan 0.000 0.436 266 A N -0.049 122.835 122.820 0.107 0.000 2.606 266 A HA 0.717 5.025 4.320 -0.020 0.000 0.293 266 A C -0.928 176.736 177.584 0.133 0.000 1.082 266 A CA -0.907 51.206 52.037 0.127 0.000 0.685 266 A CB 1.465 20.534 19.000 0.116 0.000 1.284 266 A HN 0.235 nan 8.150 nan 0.000 0.408 267 K N 0.884 121.398 120.400 0.189 0.000 2.227 267 K HA 0.559 4.867 4.320 -0.020 0.000 0.280 267 K C -1.308 175.404 176.600 0.186 0.000 1.041 267 K CA 0.053 56.458 56.287 0.196 0.000 0.905 267 K CB 1.062 33.705 32.500 0.238 0.000 1.068 267 K HN 0.513 nan 8.250 nan 0.000 0.470 268 I N 3.276 123.909 120.570 0.105 0.000 2.355 268 I HA 0.184 4.342 4.170 -0.020 0.000 0.288 268 I C -0.229 175.897 176.117 0.015 0.000 0.999 268 I CA -0.164 61.148 61.300 0.020 0.000 1.163 268 I CB 1.239 39.250 38.000 0.018 0.000 1.316 268 I HN 0.639 nan 8.210 nan 0.000 0.454 269 E N 6.792 126.973 120.200 -0.031 0.000 2.372 269 E HA 0.289 4.627 4.350 -0.020 0.000 0.279 269 E C -1.783 174.757 176.600 -0.100 0.000 0.946 269 E CA -0.964 55.434 56.400 -0.004 0.000 0.769 269 E CB 2.106 31.892 29.700 0.144 0.000 1.230 269 E HN 0.310 nan 8.360 nan 0.000 0.442 270 L N 2.933 124.059 121.223 -0.163 0.000 2.433 270 L HA 0.510 4.838 4.340 -0.020 0.000 0.275 270 L C 0.183 176.862 176.870 -0.318 0.000 1.128 270 L CA 1.175 55.824 54.840 -0.317 0.000 0.875 270 L CB 0.480 42.248 42.059 -0.484 0.000 1.171 270 L HN 0.678 nan 8.230 nan 0.000 0.463 271 G N 2.537 111.293 108.800 -0.075 0.000 2.695 271 G HA2 0.568 4.516 3.960 -0.020 0.000 0.290 271 G HA3 0.568 4.516 3.960 -0.020 0.000 0.290 271 G C -0.471 174.583 174.900 0.256 0.000 1.410 271 G CA -0.332 44.910 45.100 0.236 0.000 0.844 271 G HN 0.791 nan 8.290 nan 0.000 0.478 272 G N -0.891 107.938 108.800 0.049 0.000 2.559 272 G HA2 0.312 4.260 3.960 -0.020 0.000 0.235 272 G HA3 0.312 4.260 3.960 -0.020 0.000 0.235 272 G C 0.648 175.471 174.900 -0.128 0.000 1.266 272 G CA 0.047 45.042 45.100 -0.175 0.000 0.847 272 G HN 0.645 nan 8.290 nan 0.000 0.583 273 E N 0.179 120.318 120.200 -0.102 0.000 2.110 273 E HA -0.103 4.235 4.350 -0.020 0.000 0.193 273 E C 0.987 177.421 176.600 -0.277 0.000 0.988 273 E CA 1.051 57.338 56.400 -0.188 0.000 0.804 273 E CB 0.108 29.781 29.700 -0.045 0.000 0.745 273 E HN 0.665 nan 8.360 nan 0.000 0.458 274 N N -1.606 116.997 118.700 -0.161 0.000 2.357 274 N HA 0.026 4.753 4.740 -0.020 0.000 0.284 274 N C -1.149 174.307 175.510 -0.090 0.000 1.236 274 N CA -0.478 52.548 53.050 -0.040 0.000 0.774 274 N CB 0.771 39.257 38.487 -0.002 0.000 1.534 274 N HN -0.138 nan 8.380 nan 0.000 0.478 275 Y N -0.193 120.138 120.300 0.052 0.000 2.696 275 Y HA 0.290 4.828 4.550 -0.020 0.000 0.260 275 Y C 0.847 176.783 175.900 0.059 0.000 1.165 275 Y CA -0.497 57.642 58.100 0.065 0.000 1.189 275 Y CB 0.398 38.900 38.460 0.071 0.000 1.180 275 Y HN 0.505 nan 8.280 nan 0.000 0.538 276 D N 0.499 120.995 120.400 0.160 0.000 2.103 276 D HA 0.017 4.645 4.640 -0.020 0.000 0.199 276 D C 0.401 176.783 176.300 0.135 0.000 0.978 276 D CA 1.289 55.374 54.000 0.142 0.000 0.829 276 D CB 0.586 41.468 40.800 0.135 0.000 0.981 276 D HN 0.236 nan 8.370 nan 0.000 0.464 277 I N 2.577 123.223 120.570 0.128 0.000 2.328 277 I HA 0.242 4.400 4.170 -0.020 0.000 0.287 277 I C -0.181 175.990 176.117 0.091 0.000 1.012 277 I CA -0.458 60.928 61.300 0.143 0.000 1.195 277 I CB 1.277 39.403 38.000 0.210 0.000 1.350 277 I HN -0.133 nan 8.210 nan 0.000 0.464 278 I N 3.762 124.371 120.570 0.066 0.000 2.418 278 I HA 0.851 5.009 4.170 -0.020 0.000 0.287 278 I C -0.287 175.807 176.117 -0.037 0.000 1.008 278 I CA -0.639 60.674 61.300 0.021 0.000 1.104 278 I CB 1.763 39.779 38.000 0.027 0.000 1.264 278 I HN 0.490 nan 8.210 nan 0.000 0.438 279 A N 4.861 127.627 122.820 -0.089 0.000 2.311 279 A HA 0.849 5.156 4.320 -0.020 0.000 0.334 279 A C -0.601 176.806 177.584 -0.295 0.000 1.139 279 A CA -0.529 51.347 52.037 -0.268 0.000 0.830 279 A CB 1.516 20.293 19.000 -0.373 0.000 1.234 279 A HN 0.846 nan 8.150 nan 0.000 0.483 280 E N -0.339 119.607 120.200 -0.425 0.000 2.331 280 E HA 0.431 4.768 4.350 -0.020 0.000 0.275 280 E C -1.994 174.428 176.600 -0.296 0.000 0.895 280 E CA -0.367 55.871 56.400 -0.270 0.000 0.753 280 E CB 2.398 32.012 29.700 -0.144 0.000 1.216 280 E HN 0.516 nan 8.360 nan 0.000 0.434 281 F N 3.913 123.723 119.950 -0.233 0.000 2.388 281 F HA 0.351 4.866 4.527 -0.020 0.000 0.358 281 F C 0.265 176.057 175.800 -0.014 0.000 1.122 281 F CA -0.628 57.335 58.000 -0.061 0.000 1.056 281 F CB 0.613 39.666 39.000 0.089 0.000 1.155 281 F HN 0.454 nan 8.300 nan 0.000 0.461 282 N N 4.304 122.639 118.700 -0.608 0.000 2.696 282 N HA -0.221 4.507 4.740 -0.020 0.000 0.249 282 N C 0.931 176.331 175.510 -0.183 0.000 1.090 282 N CA 1.524 54.300 53.050 -0.456 0.000 0.716 282 N CB -1.229 36.874 38.487 -0.640 0.000 1.020 282 N HN 1.330 nan 8.380 nan 0.000 0.548 283 G N -1.203 107.530 108.800 -0.113 0.000 2.157 283 G HA2 -0.319 3.629 3.960 -0.020 0.000 0.239 283 G HA3 -0.319 3.629 3.960 -0.020 0.000 0.239 283 G C -0.253 174.633 174.900 -0.024 0.000 0.982 283 G CA 0.467 45.538 45.100 -0.048 0.000 0.650 283 G HN 0.580 nan 8.290 nan 0.000 0.527 284 Q N 0.376 120.172 119.800 -0.007 0.000 2.337 284 Q HA 0.501 4.829 4.340 -0.020 0.000 0.266 284 Q C -2.617 173.398 176.000 0.025 0.000 1.023 284 Q CA -2.400 53.421 55.803 0.030 0.000 0.829 284 Q CB 2.307 31.096 28.738 0.084 0.000 1.306 284 Q HN 0.067 nan 8.270 nan 0.000 0.449 285 P HA -0.066 nan 4.420 nan 0.000 0.259 285 P C -1.506 175.793 177.300 -0.003 0.000 1.163 285 P CA 0.640 63.735 63.100 -0.008 0.000 0.760 285 P CB 0.480 32.178 31.700 -0.003 0.000 0.762 286 A N 2.393 125.195 122.820 -0.030 0.000 2.593 286 A HA 0.776 5.084 4.320 -0.020 0.000 0.290 286 A C -0.702 176.877 177.584 -0.008 0.000 1.126 286 A CA -0.375 51.655 52.037 -0.011 0.000 0.695 286 A CB 1.717 20.733 19.000 0.026 0.000 1.290 286 A HN 0.398 nan 8.150 nan 0.000 0.414 287 S N -1.646 114.090 115.700 0.061 0.000 2.732 287 S HA 0.934 5.392 4.470 -0.020 0.000 0.293 287 S C -0.184 174.581 174.600 0.275 0.000 1.159 287 S CA 0.186 58.460 58.200 0.125 0.000 0.847 287 S CB 1.795 65.011 63.200 0.027 0.000 1.169 287 S HN 2.379 nan 8.310 nan 0.000 0.501 288 G N 0.089 109.053 108.800 0.275 0.000 2.550 288 G HA2 0.550 4.498 3.960 -0.020 0.000 0.293 288 G HA3 0.550 4.498 3.960 -0.020 0.000 0.293 288 G C -2.363 172.471 174.900 -0.109 0.000 1.402 288 G CA -0.671 44.529 45.100 0.167 0.000 0.784 288 G HN 0.756 nan 8.290 nan 0.000 0.482 289 L N 1.026 122.088 121.223 -0.269 0.000 2.406 289 L HA 0.548 4.875 4.340 -0.020 0.000 0.270 289 L C 0.612 177.166 176.870 -0.527 0.000 0.982 289 L CA -0.859 53.711 54.840 -0.450 0.000 0.843 289 L CB 1.990 43.887 42.059 -0.271 0.000 1.225 289 L HN 0.750 nan 8.230 nan 0.000 0.412 290 G N 4.483 112.751 108.800 -0.888 0.000 2.351 290 G HA2 0.562 4.510 3.960 -0.020 0.000 0.287 290 G HA3 0.562 4.510 3.960 -0.020 0.000 0.287 290 G C -0.432 174.323 174.900 -0.241 0.000 1.159 290 G CA -0.172 44.451 45.100 -0.794 0.000 0.929 290 G HN 0.451 nan 8.290 nan 0.000 0.435 291 I N 1.880 122.434 120.570 -0.027 0.000 2.377 291 I HA 0.335 4.493 4.170 -0.020 0.000 0.293 291 I C 0.047 176.335 176.117 0.285 0.000 0.987 291 I CA -0.628 60.738 61.300 0.109 0.000 1.185 291 I CB 2.081 40.106 38.000 0.041 0.000 1.341 291 I HN 0.283 nan 8.210 nan 0.000 0.455 292 K N 6.408 126.942 120.400 0.223 0.000 2.292 292 K HA 0.535 4.843 4.320 -0.020 0.000 0.257 292 K C -0.853 175.828 176.600 0.136 0.000 0.940 292 K CA -0.783 55.623 56.287 0.199 0.000 0.811 292 K CB 2.176 34.760 32.500 0.141 0.000 1.120 292 K HN 0.466 nan 8.250 nan 0.000 0.428 293 L N 2.601 123.908 121.223 0.139 0.000 2.490 293 L HA 0.032 4.360 4.340 -0.020 0.000 0.274 293 L C 0.550 177.473 176.870 0.089 0.000 1.201 293 L CA -0.098 54.807 54.840 0.108 0.000 0.869 293 L CB 0.591 42.720 42.059 0.117 0.000 1.123 293 L HN 0.798 nan 8.230 nan 0.000 0.484 294 A N 3.077 125.937 122.820 0.068 0.000 2.407 294 A HA 0.258 4.566 4.320 -0.020 0.000 0.248 294 A C 0.398 178.015 177.584 0.054 0.000 1.082 294 A CA -0.412 51.657 52.037 0.053 0.000 0.785 294 A CB 0.037 19.059 19.000 0.037 0.000 1.020 294 A HN 0.740 nan 8.150 nan 0.000 0.489 295 T N 1.536 116.118 114.554 0.047 0.000 2.849 295 T HA 0.356 4.693 4.350 -0.020 0.000 0.289 295 T C 1.603 176.324 174.700 0.036 0.000 1.010 295 T CA 1.451 63.578 62.100 0.045 0.000 1.161 295 T CB 0.061 68.946 68.868 0.029 0.000 0.989 295 T HN 2.076 nan 8.240 nan 0.000 0.523 296 G N 2.278 111.106 108.800 0.046 0.000 2.267 296 G HA2 -0.176 3.772 3.960 -0.020 0.000 0.257 296 G HA3 -0.176 3.772 3.960 -0.020 0.000 0.257 296 G C 0.438 175.361 174.900 0.038 0.000 0.998 296 G CA 0.117 45.239 45.100 0.038 0.000 0.620 296 G HN 1.307 nan 8.290 nan 0.000 0.529 297 A N 0.222 123.067 122.820 0.041 0.000 2.507 297 A HA 0.429 4.737 4.320 -0.020 0.000 0.235 297 A C 0.711 178.325 177.584 0.050 0.000 1.070 297 A CA 0.623 52.685 52.037 0.041 0.000 0.768 297 A CB 0.138 19.164 19.000 0.043 0.000 1.011 297 A HN 0.677 nan 8.150 nan 0.000 0.502 298 N N 1.583 120.308 118.700 0.042 0.000 2.411 298 N HA 0.249 4.977 4.740 -0.020 0.000 0.259 298 N C 1.160 176.701 175.510 0.052 0.000 1.103 298 N CA 0.421 53.498 53.050 0.045 0.000 0.954 298 N CB 1.216 39.722 38.487 0.033 0.000 1.085 298 N HN 0.629 nan 8.380 nan 0.000 0.485 299 A N 4.699 127.558 122.820 0.066 0.000 1.873 299 A HA -0.195 4.113 4.320 -0.020 0.000 0.218 299 A C 2.013 179.632 177.584 0.058 0.000 1.193 299 A CA 1.213 53.296 52.037 0.077 0.000 0.629 299 A CB -0.498 18.560 19.000 0.096 0.000 0.826 299 A HN 0.668 nan 8.150 nan 0.000 0.447 300 L N 0.077 121.325 121.223 0.042 0.000 2.017 300 L HA -0.184 4.144 4.340 -0.020 0.000 0.208 300 L C 2.067 178.949 176.870 0.021 0.000 1.073 300 L CA 2.163 57.019 54.840 0.026 0.000 0.745 300 L CB -0.723 41.343 42.059 0.012 0.000 0.894 300 L HN 0.365 nan 8.230 nan 0.000 0.432 301 D N -1.366 119.048 120.400 0.022 0.000 2.117 301 D HA -0.148 4.480 4.640 -0.020 0.000 0.197 301 D C 2.053 178.366 176.300 0.021 0.000 0.987 301 D CA 1.781 55.791 54.000 0.018 0.000 0.829 301 D CB -0.078 40.733 40.800 0.018 0.000 0.961 301 D HN 0.328 nan 8.370 nan 0.000 0.460 302 T N 0.732 115.305 114.554 0.031 0.000 2.812 302 T HA -0.037 4.301 4.350 -0.020 0.000 0.264 302 T C 2.061 176.783 174.700 0.037 0.000 1.042 302 T CA 1.283 63.404 62.100 0.035 0.000 1.140 302 T CB -0.245 68.651 68.868 0.046 0.000 0.870 302 T HN 0.164 nan 8.240 nan 0.000 0.445 303 A N 1.812 124.657 122.820 0.041 0.000 1.883 303 A HA 0.041 4.349 4.320 -0.020 0.000 0.217 303 A C 2.682 180.279 177.584 0.023 0.000 1.186 303 A CA 2.048 54.108 52.037 0.039 0.000 0.624 303 A CB -1.285 17.738 19.000 0.038 0.000 0.822 303 A HN 0.509 nan 8.150 nan 0.000 0.444 304 A N -0.275 122.553 122.820 0.013 0.000 1.917 304 A HA 0.033 4.341 4.320 -0.020 0.000 0.219 304 A C 2.508 180.097 177.584 0.009 0.000 1.182 304 A CA 2.598 54.637 52.037 0.003 0.000 0.633 304 A CB -1.035 17.965 19.000 -0.000 0.000 0.819 304 A HN 1.157 nan 8.150 nan 0.000 0.448 305 A N -0.308 122.520 122.820 0.015 0.000 1.897 305 A HA 0.034 4.341 4.320 -0.020 0.000 0.215 305 A C 2.084 179.681 177.584 0.021 0.000 1.181 305 A CA 1.311 53.357 52.037 0.015 0.000 0.620 305 A CB -0.591 18.417 19.000 0.015 0.000 0.821 305 A HN 0.500 nan 8.150 nan 0.000 0.443 306 I N -0.583 120.004 120.570 0.029 0.000 2.208 306 I HA -0.270 3.887 4.170 -0.020 0.000 0.245 306 I C 2.621 178.771 176.117 0.054 0.000 1.097 306 I CA 1.064 62.387 61.300 0.038 0.000 1.363 306 I CB -0.361 37.665 38.000 0.045 0.000 1.051 306 I HN 0.171 nan 8.210 nan 0.000 0.413 307 R N 1.127 121.660 120.500 0.055 0.000 2.081 307 R HA -0.073 4.255 4.340 -0.020 0.000 0.235 307 R C 2.413 178.740 176.300 0.045 0.000 1.131 307 R CA 1.620 57.760 56.100 0.066 0.000 0.960 307 R CB -1.060 29.253 30.300 0.021 0.000 0.856 307 R HN 0.415 nan 8.270 nan 0.000 0.436 308 A N 1.108 123.943 122.820 0.024 0.000 1.902 308 A HA -0.202 4.105 4.320 -0.020 0.000 0.217 308 A C 2.160 179.754 177.584 0.017 0.000 1.181 308 A CA 1.687 53.732 52.037 0.014 0.000 0.623 308 A CB -0.354 18.651 19.000 0.007 0.000 0.818 308 A HN 0.265 nan 8.150 nan 0.000 0.443 309 E N -0.325 119.889 120.200 0.023 0.000 2.058 309 E HA -0.161 4.177 4.350 -0.020 0.000 0.194 309 E C 1.692 178.310 176.600 0.030 0.000 0.997 309 E CA 1.098 57.511 56.400 0.023 0.000 0.801 309 E CB -0.310 29.403 29.700 0.022 0.000 0.746 309 E HN 0.351 nan 8.360 nan 0.000 0.450 310 L N 0.101 121.351 121.223 0.045 0.000 2.191 310 L HA -0.006 4.321 4.340 -0.020 0.000 0.212 310 L C 2.166 179.042 176.870 0.011 0.000 1.103 310 L CA 1.754 56.630 54.840 0.060 0.000 0.769 310 L CB -1.209 40.911 42.059 0.102 0.000 0.908 310 L HN 0.222 nan 8.230 nan 0.000 0.438 311 A N -1.268 121.554 122.820 0.004 0.000 1.968 311 A HA -0.156 4.152 4.320 -0.020 0.000 0.217 311 A C 2.336 179.881 177.584 -0.064 0.000 1.169 311 A CA 1.011 53.027 52.037 -0.035 0.000 0.638 311 A CB -0.302 18.688 19.000 -0.017 0.000 0.812 311 A HN 0.309 nan 8.150 nan 0.000 0.446 312 K N -0.954 119.435 120.400 -0.017 0.000 2.209 312 K HA -0.059 4.249 4.320 -0.020 0.000 0.204 312 K C 1.800 178.441 176.600 0.068 0.000 1.048 312 K CA 1.606 57.912 56.287 0.032 0.000 0.940 312 K CB -0.204 32.326 32.500 0.050 0.000 0.729 312 K HN 0.573 nan 8.250 nan 0.000 0.451 313 M N -0.526 119.053 119.600 -0.036 0.000 2.429 313 M HA -0.025 4.443 4.480 -0.020 0.000 0.265 313 M C 1.654 177.589 176.300 -0.608 0.000 1.120 313 M CA 0.899 56.148 55.300 -0.084 0.000 1.173 313 M CB -0.043 32.563 32.600 0.011 0.000 1.343 313 M HN 0.012 nan 8.290 nan 0.000 0.464 314 E N 0.913 120.610 120.200 -0.838 0.000 2.136 314 E HA -0.235 4.103 4.350 -0.020 0.000 0.202 314 E C -0.777 175.325 176.600 -0.829 0.000 1.019 314 E CA 1.607 57.288 56.400 -1.199 0.000 0.819 314 E CB -1.279 28.148 29.700 -0.455 0.000 0.739 314 E HN 0.380 nan 8.360 nan 0.000 0.458 315 P HA -0.158 nan 4.420 nan 0.000 0.218 315 P C 0.439 177.356 177.300 -0.638 0.000 1.148 315 P CA 1.241 63.934 63.100 -0.679 0.000 0.822 315 P CB -0.029 31.083 31.700 -0.981 0.000 0.784 316 F N -3.223 116.625 119.950 -0.171 0.000 2.645 316 F HA 0.217 4.731 4.527 -0.021 0.000 0.300 316 F C 0.829 176.725 175.800 0.159 0.000 1.115 316 F CA -0.736 57.259 58.000 -0.008 0.000 1.355 316 F CB -0.506 38.501 39.000 0.011 0.000 1.026 316 F HN -0.246 nan 8.300 nan 0.000 0.536 317 F N 2.003 122.028 119.950 0.124 0.000 2.496 317 F HA 0.289 4.804 4.527 -0.021 0.000 0.344 317 F C -1.438 174.324 175.800 -0.064 0.000 1.155 317 F CA -3.537 54.466 58.000 0.006 0.000 1.302 317 F CB -0.476 38.478 39.000 -0.076 0.000 1.159 317 F HN -0.142 nan 8.300 nan 0.000 0.595 318 P HA 0.039 nan 4.420 nan 0.000 0.272 318 P C -0.628 176.649 177.300 -0.039 0.000 1.240 318 P CA -0.511 62.557 63.100 -0.054 0.000 0.791 318 P CB 0.407 31.996 31.700 -0.186 0.000 0.978 319 S N 1.231 116.920 115.700 -0.019 0.000 2.811 319 S HA 0.214 4.672 4.470 -0.020 0.000 0.325 319 S C 1.167 175.747 174.600 -0.035 0.000 1.224 319 S CA 0.731 58.923 58.200 -0.013 0.000 1.125 319 S CB -1.885 61.312 63.200 -0.006 0.000 0.867 319 S HN 0.938 nan 8.310 nan 0.000 0.512 320 G N 3.930 112.718 108.800 -0.020 0.000 2.225 320 G HA2 -0.179 3.768 3.960 -0.020 0.000 0.264 320 G HA3 -0.179 3.768 3.960 -0.020 0.000 0.264 320 G C -0.217 174.641 174.900 -0.070 0.000 1.060 320 G CA 0.126 45.208 45.100 -0.029 0.000 0.833 320 G HN 0.828 nan 8.290 nan 0.000 0.498 321 L N 0.162 121.324 121.223 -0.103 0.000 2.280 321 L HA 0.733 5.061 4.340 -0.020 0.000 0.287 321 L C 0.020 176.775 176.870 -0.192 0.000 1.023 321 L CA -0.402 54.288 54.840 -0.250 0.000 0.819 321 L CB 1.213 42.969 42.059 -0.505 0.000 1.212 321 L HN 0.262 nan 8.230 nan 0.000 0.420 322 K N 5.210 125.501 120.400 -0.183 0.000 2.270 322 K HA 0.553 4.861 4.320 -0.020 0.000 0.255 322 K C -0.722 175.779 176.600 -0.165 0.000 0.936 322 K CA -0.684 55.547 56.287 -0.092 0.000 0.809 322 K CB 1.858 34.315 32.500 -0.071 0.000 1.131 322 K HN 0.579 nan 8.250 nan 0.000 0.427 323 I N 3.543 124.062 120.570 -0.086 0.000 2.474 323 I HA 0.229 4.387 4.170 -0.020 0.000 0.287 323 I C -0.251 175.629 176.117 -0.394 0.000 1.048 323 I CA -0.590 60.568 61.300 -0.236 0.000 1.383 323 I CB 1.520 39.426 38.000 -0.156 0.000 1.412 323 I HN 0.267 nan 8.210 nan 0.000 0.531 324 V N 7.050 126.599 119.914 -0.609 0.000 3.007 324 V HA 0.406 4.514 4.120 -0.020 0.000 0.311 324 V C -1.538 174.119 176.094 -0.730 0.000 1.120 324 V CA -0.454 61.470 62.300 -0.627 0.000 0.980 324 V CB 2.329 33.661 31.823 -0.818 0.000 1.033 324 V HN 0.511 nan 8.190 nan 0.000 0.429 325 Y N 6.362 126.549 120.300 -0.187 0.000 2.915 325 Y HA 0.427 4.965 4.550 -0.021 0.000 0.350 325 Y C -1.476 174.391 175.900 -0.054 0.000 1.061 325 Y CA -1.770 56.255 58.100 -0.125 0.000 1.179 325 Y CB 0.942 39.358 38.460 -0.074 0.000 1.180 325 Y HN 0.556 nan 8.280 nan 0.000 0.605 326 P HA -0.123 nan 4.420 nan 0.000 0.225 326 P C -0.499 176.893 177.300 0.153 0.000 1.156 326 P CA 1.183 64.378 63.100 0.159 0.000 0.787 326 P CB 0.648 32.425 31.700 0.129 0.000 0.802 327 Y N -0.064 120.178 120.300 -0.097 0.000 2.323 327 Y HA 0.505 5.043 4.550 -0.021 0.000 0.322 327 Y C -1.801 174.089 175.900 -0.016 0.000 1.133 327 Y CA -1.025 57.042 58.100 -0.056 0.000 1.093 327 Y CB 1.359 39.726 38.460 -0.155 0.000 1.203 327 Y HN -0.301 nan 8.280 nan 0.000 0.427 328 D N 3.262 123.528 120.400 -0.222 0.000 2.613 328 D HA 0.136 4.764 4.640 -0.020 0.000 0.230 328 D C 0.485 176.701 176.300 -0.140 0.000 1.365 328 D CA 0.114 54.058 54.000 -0.094 0.000 0.976 328 D CB 1.770 42.565 40.800 -0.008 0.000 1.415 328 D HN 0.661 nan 8.370 nan 0.000 0.589 329 T N -0.439 114.076 114.554 -0.065 0.000 3.085 329 T HA -0.045 4.293 4.350 -0.020 0.000 0.263 329 T C 1.601 176.391 174.700 0.151 0.000 1.127 329 T CA 0.994 63.119 62.100 0.042 0.000 1.103 329 T CB 0.091 69.041 68.868 0.138 0.000 0.921 329 T HN 0.225 nan 8.240 nan 0.000 0.510 330 T N 2.958 117.575 114.554 0.105 0.000 2.701 330 T HA 0.014 4.352 4.350 -0.020 0.000 0.263 330 T C -0.587 174.174 174.700 0.101 0.000 1.040 330 T CA 1.318 63.475 62.100 0.094 0.000 1.147 330 T CB -1.204 67.696 68.868 0.053 0.000 0.865 330 T HN 0.363 nan 8.240 nan 0.000 0.426 331 P HA -0.084 nan 4.420 nan 0.000 0.218 331 P C 1.098 178.536 177.300 0.230 0.000 1.146 331 P CA 0.757 63.933 63.100 0.126 0.000 0.813 331 P CB -0.138 31.634 31.700 0.119 0.000 0.778 332 F N 0.298 120.348 119.950 0.167 0.000 2.084 332 F HA -0.171 4.343 4.527 -0.021 0.000 0.296 332 F C 2.006 177.825 175.800 0.033 0.000 1.111 332 F CA 1.291 59.390 58.000 0.166 0.000 1.224 332 F CB -0.989 38.137 39.000 0.210 0.000 0.991 332 F HN -0.312 nan 8.300 nan 0.000 0.471 333 V N 1.132 120.989 119.914 -0.095 0.000 2.282 333 V HA -0.368 3.740 4.120 -0.020 0.000 0.249 333 V C 2.437 178.389 176.094 -0.236 0.000 1.057 333 V CA 2.415 64.580 62.300 -0.225 0.000 1.032 333 V CB -0.860 30.939 31.823 -0.039 0.000 0.645 333 V HN 0.307 nan 8.190 nan 0.000 0.447 334 K N -0.215 120.111 120.400 -0.124 0.000 1.991 334 K HA -0.136 4.171 4.320 -0.020 0.000 0.212 334 K C 2.062 178.588 176.600 -0.123 0.000 1.049 334 K CA 1.905 58.134 56.287 -0.097 0.000 0.932 334 K CB -0.375 32.095 32.500 -0.050 0.000 0.717 334 K HN 0.388 nan 8.250 nan 0.000 0.441 335 I N 0.711 121.198 120.570 -0.137 0.000 2.202 335 I HA -0.289 3.869 4.170 -0.020 0.000 0.242 335 I C 2.697 178.651 176.117 -0.270 0.000 1.091 335 I CA 0.952 62.165 61.300 -0.145 0.000 1.368 335 I CB -0.451 37.491 38.000 -0.097 0.000 1.058 335 I HN 0.210 nan 8.210 nan 0.000 0.410 336 S N 1.362 116.742 115.700 -0.533 0.000 2.381 336 S HA -0.258 4.200 4.470 -0.020 0.000 0.230 336 S C 2.086 176.457 174.600 -0.382 0.000 1.052 336 S CA 1.843 59.663 58.200 -0.632 0.000 1.068 336 S CB -0.426 62.110 63.200 -1.107 0.000 0.918 336 S HN 0.377 nan 8.310 nan 0.000 0.448 337 I N 0.188 120.570 120.570 -0.313 0.000 2.286 337 I HA -0.098 4.059 4.170 -0.020 0.000 0.245 337 I C 2.449 178.468 176.117 -0.164 0.000 1.104 337 I CA 1.592 62.748 61.300 -0.240 0.000 1.397 337 I CB -0.427 37.462 38.000 -0.184 0.000 1.072 337 I HN 0.491 nan 8.210 nan 0.000 0.417 338 H N 1.256 120.216 119.070 -0.182 0.000 2.353 338 H HA -0.208 4.336 4.556 -0.021 0.000 0.298 338 H C 2.039 177.292 175.328 -0.126 0.000 1.103 338 H CA 1.849 57.818 56.048 -0.132 0.000 1.293 338 H CB 0.132 29.830 29.762 -0.108 0.000 1.372 338 H HN 0.187 nan 8.280 nan 0.000 0.501 339 E N -0.071 120.058 120.200 -0.118 0.000 2.204 339 E HA -0.107 4.230 4.350 -0.020 0.000 0.195 339 E C 2.464 178.962 176.600 -0.170 0.000 0.990 339 E CA 1.001 57.318 56.400 -0.138 0.000 0.821 339 E CB -0.114 29.521 29.700 -0.108 0.000 0.750 339 E HN 0.432 nan 8.360 nan 0.000 0.477 340 V N 0.659 120.440 119.914 -0.222 0.000 2.407 340 V HA -0.154 3.954 4.120 -0.020 0.000 0.245 340 V C 2.530 178.514 176.094 -0.184 0.000 1.041 340 V CA 0.887 63.042 62.300 -0.241 0.000 1.040 340 V CB -0.392 31.145 31.823 -0.478 0.000 0.671 340 V HN 0.045 nan 8.190 nan 0.000 0.455 341 V N 0.168 119.956 119.914 -0.210 0.000 2.392 341 V HA -0.326 3.782 4.120 -0.020 0.000 0.249 341 V C 2.442 178.412 176.094 -0.206 0.000 1.059 341 V CA 2.371 64.562 62.300 -0.183 0.000 1.051 341 V CB -0.693 31.003 31.823 -0.212 0.000 0.658 341 V HN 0.535 nan 8.190 nan 0.000 0.455 342 K N -0.261 119.958 120.400 -0.301 0.000 2.097 342 K HA -0.179 4.129 4.320 -0.020 0.000 0.206 342 K C 2.150 178.691 176.600 -0.099 0.000 1.049 342 K CA 1.889 58.039 56.287 -0.227 0.000 0.933 342 K CB -0.227 32.127 32.500 -0.245 0.000 0.717 342 K HN 0.563 nan 8.250 nan 0.000 0.442 343 T N 1.642 116.153 114.554 -0.071 0.000 2.777 343 T HA -0.098 4.240 4.350 -0.020 0.000 0.266 343 T C 1.778 176.491 174.700 0.022 0.000 1.040 343 T CA 1.109 63.207 62.100 -0.003 0.000 1.141 343 T CB -0.134 68.753 68.868 0.033 0.000 0.868 343 T HN 0.135 nan 8.240 nan 0.000 0.444 344 L N 0.822 122.050 121.223 0.009 0.000 1.989 344 L HA -0.108 4.219 4.340 -0.020 0.000 0.211 344 L C 2.732 179.619 176.870 0.027 0.000 1.071 344 L CA 1.049 55.910 54.840 0.036 0.000 0.749 344 L CB -0.956 41.126 42.059 0.038 0.000 0.890 344 L HN 0.134 nan 8.230 nan 0.000 0.431 345 V N -0.083 119.827 119.914 -0.006 0.000 2.287 345 V HA -0.304 3.804 4.120 -0.020 0.000 0.248 345 V C 2.402 178.501 176.094 0.009 0.000 1.053 345 V CA 1.981 64.274 62.300 -0.011 0.000 1.027 345 V CB -0.593 31.206 31.823 -0.040 0.000 0.646 345 V HN 0.458 nan 8.190 nan 0.000 0.447 346 E N 0.172 120.380 120.200 0.012 0.000 2.077 346 E HA -0.205 4.133 4.350 -0.020 0.000 0.193 346 E C 2.352 178.991 176.600 0.065 0.000 0.989 346 E CA 1.308 57.728 56.400 0.034 0.000 0.800 346 E CB -0.375 29.343 29.700 0.030 0.000 0.746 346 E HN 0.607 nan 8.360 nan 0.000 0.452 347 A N 1.180 124.046 122.820 0.076 0.000 1.908 347 A HA -0.208 4.100 4.320 -0.020 0.000 0.218 347 A C 2.180 179.834 177.584 0.118 0.000 1.181 347 A CA 1.283 53.386 52.037 0.110 0.000 0.627 347 A CB -0.670 18.409 19.000 0.131 0.000 0.818 347 A HN 0.156 nan 8.150 nan 0.000 0.445 348 I N -0.870 119.757 120.570 0.093 0.000 2.163 348 I HA -0.267 3.890 4.170 -0.020 0.000 0.243 348 I C 2.226 178.420 176.117 0.128 0.000 1.085 348 I CA 1.348 62.706 61.300 0.098 0.000 1.347 348 I CB -0.345 37.688 38.000 0.056 0.000 1.044 348 I HN 0.234 nan 8.210 nan 0.000 0.408 349 I N 0.270 120.895 120.570 0.092 0.000 2.335 349 I HA -0.278 3.880 4.170 -0.020 0.000 0.251 349 I C 2.265 178.502 176.117 0.200 0.000 1.129 349 I CA 1.620 62.987 61.300 0.112 0.000 1.402 349 I CB -0.270 37.762 38.000 0.054 0.000 1.069 349 I HN 0.147 nan 8.210 nan 0.000 0.424 350 L N -1.355 119.968 121.223 0.166 0.000 2.131 350 L HA -0.105 4.223 4.340 -0.020 0.000 0.206 350 L C 2.417 179.403 176.870 0.193 0.000 1.087 350 L CA 0.459 55.401 54.840 0.171 0.000 0.767 350 L CB -0.392 41.749 42.059 0.138 0.000 0.917 350 L HN 0.008 nan 8.230 nan 0.000 0.441 351 V N -0.356 119.675 119.914 0.194 0.000 2.295 351 V HA -0.330 3.778 4.120 -0.020 0.000 0.246 351 V C 2.260 178.482 176.094 0.214 0.000 1.049 351 V CA 2.006 64.417 62.300 0.185 0.000 1.024 351 V CB -0.616 31.301 31.823 0.158 0.000 0.648 351 V HN 0.372 nan 8.190 nan 0.000 0.447 352 F N 0.322 120.334 119.950 0.102 0.000 2.126 352 F HA -0.214 4.300 4.527 -0.020 0.000 0.299 352 F C 1.985 177.878 175.800 0.155 0.000 1.096 352 F CA 1.715 59.781 58.000 0.110 0.000 1.255 352 F CB -0.220 38.823 39.000 0.072 0.000 0.997 352 F HN 0.041 nan 8.300 nan 0.000 0.479 353 L N -0.807 120.531 121.223 0.192 0.000 2.005 353 L HA -0.219 4.109 4.340 -0.020 0.000 0.207 353 L C 2.413 179.375 176.870 0.153 0.000 1.072 353 L CA 1.201 56.125 54.840 0.140 0.000 0.744 353 L CB -1.018 41.160 42.059 0.199 0.000 0.895 353 L HN -0.045 nan 8.230 nan 0.000 0.433 354 V N -0.579 119.443 119.914 0.181 0.000 2.324 354 V HA -0.357 3.751 4.120 -0.020 0.000 0.250 354 V C 2.466 178.713 176.094 0.255 0.000 1.060 354 V CA 2.096 64.538 62.300 0.237 0.000 1.042 354 V CB -0.468 31.492 31.823 0.228 0.000 0.650 354 V HN 0.387 nan 8.190 nan 0.000 0.450 355 M N -1.303 118.382 119.600 0.141 0.000 2.229 355 M HA -0.128 4.340 4.480 -0.020 0.000 0.264 355 M C 1.976 178.300 176.300 0.039 0.000 1.063 355 M CA 1.633 56.983 55.300 0.083 0.000 1.114 355 M CB -0.551 32.066 32.600 0.029 0.000 1.387 355 M HN 0.437 nan 8.290 nan 0.000 0.420 356 Y N -0.769 119.423 120.300 -0.180 0.000 2.509 356 Y HA -0.036 4.501 4.550 -0.020 0.000 0.293 356 Y C 1.725 177.596 175.900 -0.049 0.000 1.133 356 Y CA 1.107 59.078 58.100 -0.215 0.000 1.283 356 Y CB 0.043 38.288 38.460 -0.358 0.000 1.001 356 Y HN 0.189 nan 8.280 nan 0.000 0.555 357 L N -1.800 119.460 121.223 0.061 0.000 2.270 357 L HA -0.079 4.249 4.340 -0.020 0.000 0.210 357 L C 1.251 177.926 176.870 -0.325 0.000 1.104 357 L CA 0.926 55.743 54.840 -0.037 0.000 0.804 357 L CB -0.143 41.920 42.059 0.006 0.000 0.937 357 L HN 0.132 nan 8.230 nan 0.000 0.450 358 F N -1.538 118.289 119.950 -0.204 0.000 2.500 358 F HA 0.092 4.607 4.527 -0.020 0.000 0.285 358 F C 1.796 177.439 175.800 -0.263 0.000 1.088 358 F CA 0.504 58.322 58.000 -0.303 0.000 1.432 358 F CB 0.190 39.033 39.000 -0.261 0.000 1.131 358 F HN -0.164 nan 8.300 nan 0.000 0.582 359 L N 0.141 121.319 121.223 -0.074 0.000 2.513 359 L HA 0.055 4.383 4.340 -0.020 0.000 0.222 359 L C 0.696 177.365 176.870 -0.336 0.000 1.096 359 L CA 0.138 54.880 54.840 -0.164 0.000 0.857 359 L CB -0.725 41.262 42.059 -0.120 0.000 1.026 359 L HN 0.203 nan 8.230 nan 0.000 0.469 360 Q N 1.207 120.696 119.800 -0.518 0.000 2.388 360 Q HA -0.298 4.030 4.340 -0.020 0.000 0.346 360 Q C -0.425 174.992 176.000 -0.971 0.000 1.319 360 Q CA 0.893 56.133 55.803 -0.938 0.000 1.023 360 Q CB -2.251 26.095 28.738 -0.653 0.000 1.247 360 Q HN 0.723 nan 8.270 nan 0.000 0.411 361 N N -0.317 117.914 118.700 -0.781 0.000 2.572 361 N HA 0.235 4.963 4.740 -0.020 0.000 0.287 361 N C 0.371 175.701 175.510 -0.301 0.000 1.136 361 N CA -0.407 52.240 53.050 -0.671 0.000 0.900 361 N CB 0.660 38.875 38.487 -0.454 0.000 1.484 361 N HN 0.195 nan 8.380 nan 0.000 0.526 362 F N 3.021 123.070 119.950 0.165 0.000 2.154 362 F HA -0.205 4.309 4.527 -0.020 0.000 0.301 362 F C 2.440 178.349 175.800 0.181 0.000 1.087 362 F CA 0.856 59.009 58.000 0.254 0.000 1.274 362 F CB -0.376 38.727 39.000 0.171 0.000 1.009 362 F HN 0.411 nan 8.300 nan 0.000 0.485 363 R N 1.294 122.013 120.500 0.364 0.000 2.140 363 R HA 0.323 4.651 4.340 -0.020 0.000 0.213 363 R C 2.130 178.525 176.300 0.158 0.000 1.059 363 R CA 0.852 57.110 56.100 0.264 0.000 1.000 363 R CB -0.807 29.643 30.300 0.250 0.000 0.910 363 R HN 0.296 nan 8.270 nan 0.000 0.455 364 A N 1.264 124.123 122.820 0.065 0.000 1.930 364 A HA -0.088 4.219 4.320 -0.020 0.000 0.215 364 A C 2.246 179.857 177.584 0.045 0.000 1.176 364 A CA 1.600 53.651 52.037 0.023 0.000 0.632 364 A CB -0.766 18.198 19.000 -0.059 0.000 0.819 364 A HN 0.400 nan 8.150 nan 0.000 0.445 365 T N -0.557 114.033 114.554 0.059 0.000 3.007 365 T HA 0.000 4.338 4.350 -0.020 0.000 0.270 365 T C 1.558 176.363 174.700 0.174 0.000 1.107 365 T CA 1.148 63.282 62.100 0.057 0.000 1.118 365 T CB -0.550 68.302 68.868 -0.026 0.000 0.889 365 T HN 0.365 nan 8.240 nan 0.000 0.506 366 L N 0.066 121.438 121.223 0.248 0.000 2.313 366 L HA 0.131 4.459 4.340 -0.020 0.000 0.214 366 L C 2.254 179.229 176.870 0.174 0.000 1.119 366 L CA 0.530 55.540 54.840 0.284 0.000 0.809 366 L CB -0.346 41.880 42.059 0.278 0.000 0.933 366 L HN 0.331 nan 8.230 nan 0.000 0.449 367 I N 0.348 120.988 120.570 0.116 0.000 2.142 367 I HA -0.206 3.952 4.170 -0.020 0.000 0.240 367 I C -0.352 175.780 176.117 0.025 0.000 1.078 367 I CA 1.442 62.772 61.300 0.050 0.000 1.343 367 I CB -1.533 36.482 38.000 0.025 0.000 1.046 367 I HN 0.210 nan 8.210 nan 0.000 0.405 368 P HA -0.061 nan 4.420 nan 0.000 0.221 368 P C 1.510 178.844 177.300 0.058 0.000 1.150 368 P CA 1.257 64.373 63.100 0.026 0.000 0.800 368 P CB -0.135 31.579 31.700 0.022 0.000 0.787 369 T N -0.435 114.189 114.554 0.118 0.000 2.821 369 T HA -0.057 4.280 4.350 -0.020 0.000 0.267 369 T C 1.746 176.498 174.700 0.086 0.000 1.046 369 T CA 1.034 63.224 62.100 0.151 0.000 1.139 369 T CB -0.739 68.298 68.868 0.281 0.000 0.871 369 T HN 0.103 nan 8.240 nan 0.000 0.454 370 I N 1.200 121.809 120.570 0.064 0.000 2.439 370 I HA -0.052 4.106 4.170 -0.020 0.000 0.251 370 I C 2.870 178.972 176.117 -0.026 0.000 1.139 370 I CA 0.607 61.921 61.300 0.023 0.000 1.438 370 I CB -0.395 37.609 38.000 0.007 0.000 1.085 370 I HN 0.178 nan 8.210 nan 0.000 0.427 371 A N 0.692 123.489 122.820 -0.038 0.000 1.908 371 A HA -0.159 4.149 4.320 -0.020 0.000 0.218 371 A C 2.413 179.978 177.584 -0.033 0.000 1.181 371 A CA 1.794 53.797 52.037 -0.057 0.000 0.627 371 A CB -0.901 18.064 19.000 -0.058 0.000 0.818 371 A HN 0.232 nan 8.150 nan 0.000 0.445 372 V N 0.484 120.393 119.914 -0.007 0.000 2.233 372 V HA -0.183 3.925 4.120 -0.020 0.000 0.247 372 V C 0.036 176.138 176.094 0.013 0.000 1.050 372 V CA 2.529 64.832 62.300 0.004 0.000 1.010 372 V CB -1.806 30.032 31.823 0.024 0.000 0.637 372 V HN 0.370 nan 8.190 nan 0.000 0.444 373 P HA -0.114 nan 4.420 nan 0.000 0.214 373 P C 1.994 179.307 177.300 0.022 0.000 1.163 373 P CA 1.406 64.522 63.100 0.027 0.000 0.883 373 P CB -0.172 31.541 31.700 0.022 0.000 0.788 374 V N -0.325 119.589 119.914 -0.001 0.000 2.278 374 V HA -0.243 3.865 4.120 -0.020 0.000 0.251 374 V C 2.478 178.566 176.094 -0.010 0.000 1.062 374 V CA 2.078 64.368 62.300 -0.016 0.000 1.038 374 V CB -1.319 30.466 31.823 -0.062 0.000 0.646 374 V HN -0.034 nan 8.190 nan 0.000 0.447 375 V N -0.682 119.221 119.914 -0.018 0.000 2.358 375 V HA -0.206 3.902 4.120 -0.020 0.000 0.246 375 V C 2.259 178.355 176.094 0.004 0.000 1.047 375 V CA 1.753 64.041 62.300 -0.020 0.000 1.035 375 V CB -0.480 31.320 31.823 -0.038 0.000 0.658 375 V HN 0.428 nan 8.190 nan 0.000 0.452 376 L N -0.784 120.457 121.223 0.031 0.000 2.046 376 L HA -0.186 4.142 4.340 -0.020 0.000 0.208 376 L C 2.439 179.433 176.870 0.206 0.000 1.077 376 L CA 1.533 56.420 54.840 0.078 0.000 0.747 376 L CB -0.491 41.636 42.059 0.113 0.000 0.896 376 L HN 0.303 nan 8.230 nan 0.000 0.432 377 L N -0.499 120.831 121.223 0.179 0.000 2.046 377 L HA -0.159 4.169 4.340 -0.020 0.000 0.208 377 L C 2.668 179.638 176.870 0.166 0.000 1.077 377 L CA 1.497 56.453 54.840 0.193 0.000 0.747 377 L CB -1.076 41.019 42.059 0.061 0.000 0.896 377 L HN 0.306 nan 8.230 nan 0.000 0.432 378 G N -0.930 107.918 108.800 0.079 0.000 2.442 378 G HA2 -0.263 3.685 3.960 -0.020 0.000 0.219 378 G HA3 -0.263 3.685 3.960 -0.020 0.000 0.219 378 G C 1.544 176.463 174.900 0.031 0.000 1.141 378 G CA 1.388 46.511 45.100 0.039 0.000 0.763 378 G HN 0.344 nan 8.290 nan 0.000 0.554 379 T N 1.023 115.584 114.554 0.012 0.000 2.746 379 T HA -0.096 4.241 4.350 -0.020 0.000 0.267 379 T C 2.040 176.679 174.700 -0.102 0.000 1.039 379 T CA 1.090 63.143 62.100 -0.078 0.000 1.142 379 T CB -0.363 68.409 68.868 -0.160 0.000 0.866 379 T HN 0.250 nan 8.240 nan 0.000 0.444 380 F N 1.807 121.731 119.950 -0.042 0.000 2.095 380 F HA -0.079 4.435 4.527 -0.021 0.000 0.298 380 F C 2.746 178.528 175.800 -0.030 0.000 1.104 380 F CA 1.059 59.038 58.000 -0.034 0.000 1.232 380 F CB -0.699 38.280 39.000 -0.034 0.000 0.987 380 F HN 0.135 nan 8.300 nan 0.000 0.475 381 A N -0.201 122.708 122.820 0.148 0.000 1.902 381 A HA -0.149 4.158 4.320 -0.020 0.000 0.217 381 A C 2.308 179.882 177.584 -0.017 0.000 1.181 381 A CA 1.974 54.041 52.037 0.050 0.000 0.623 381 A CB -1.235 17.779 19.000 0.023 0.000 0.818 381 A HN 0.185 nan 8.150 nan 0.000 0.443 382 V N 0.119 120.012 119.914 -0.036 0.000 2.427 382 V HA -0.232 3.875 4.120 -0.020 0.000 0.248 382 V C 2.516 178.592 176.094 -0.031 0.000 1.051 382 V CA 1.738 63.984 62.300 -0.089 0.000 1.048 382 V CB -0.750 31.056 31.823 -0.028 0.000 0.666 382 V HN 0.555 nan 8.190 nan 0.000 0.456 383 L N -0.005 121.220 121.223 0.004 0.000 2.083 383 L HA -0.161 4.167 4.340 -0.020 0.000 0.209 383 L C 2.755 179.722 176.870 0.162 0.000 1.083 383 L CA 1.515 56.401 54.840 0.076 0.000 0.752 383 L CB -0.781 41.269 42.059 -0.015 0.000 0.899 383 L HN 0.383 nan 8.230 nan 0.000 0.433 384 A N 0.166 123.040 122.820 0.089 0.000 1.858 384 A HA -0.207 4.101 4.320 -0.020 0.000 0.216 384 A C 2.557 180.156 177.584 0.025 0.000 1.190 384 A CA 1.838 53.917 52.037 0.069 0.000 0.617 384 A CB -0.795 18.232 19.000 0.045 0.000 0.827 384 A HN 0.401 nan 8.150 nan 0.000 0.443 385 A N -1.065 121.707 122.820 -0.080 0.000 1.892 385 A HA -0.099 4.209 4.320 -0.020 0.000 0.218 385 A C 1.844 179.327 177.584 -0.169 0.000 1.188 385 A CA 1.542 53.443 52.037 -0.227 0.000 0.631 385 A CB -0.814 17.895 19.000 -0.486 0.000 0.822 385 A HN 0.553 nan 8.150 nan 0.000 0.447 386 F N -0.516 119.521 119.950 0.145 0.000 2.731 386 F HA 0.330 4.843 4.527 -0.024 0.000 0.304 386 F C 1.744 177.668 175.800 0.206 0.000 1.133 386 F CA 0.389 58.517 58.000 0.212 0.000 1.380 386 F CB 0.107 39.290 39.000 0.304 0.000 1.079 386 F HN 0.407 nan 8.300 nan 0.000 0.550 387 G N 0.431 109.388 108.800 0.261 0.000 2.160 387 G HA2 -0.325 3.622 3.960 -0.020 0.000 0.251 387 G HA3 -0.325 3.622 3.960 -0.020 0.000 0.251 387 G C 0.141 175.050 174.900 0.015 0.000 1.008 387 G CA -0.346 44.813 45.100 0.099 0.000 0.724 387 G HN 0.290 nan 8.290 nan 0.000 0.514 388 F N 1.063 121.057 119.950 0.073 0.000 2.352 388 F HA 0.621 5.141 4.527 -0.013 0.000 0.304 388 F C 1.283 177.099 175.800 0.028 0.000 1.215 388 F CA 0.418 58.444 58.000 0.043 0.000 1.121 388 F CB 1.160 40.178 39.000 0.030 0.000 1.329 388 F HN 0.326 nan 8.300 nan 0.000 0.528 389 S N -0.230 115.600 115.700 0.216 0.000 2.599 389 S HA 0.615 5.072 4.470 -0.020 0.000 0.294 389 S C -0.857 173.800 174.600 0.094 0.000 1.094 389 S CA -0.970 57.303 58.200 0.120 0.000 0.931 389 S CB 1.268 64.511 63.200 0.072 0.000 1.093 389 S HN 0.436 nan 8.310 nan 0.000 0.488 390 I N 3.448 124.068 120.570 0.083 0.000 2.389 390 I HA 0.203 4.361 4.170 -0.020 0.000 0.295 390 I C -0.160 175.958 176.117 0.001 0.000 1.117 390 I CA -0.047 61.293 61.300 0.067 0.000 1.317 390 I CB -0.966 37.114 38.000 0.133 0.000 1.431 390 I HN 0.768 nan 8.210 nan 0.000 0.521 391 N N 1.852 120.525 118.700 -0.045 0.000 2.455 391 N HA 0.304 5.032 4.740 -0.020 0.000 0.278 391 N C 0.411 175.831 175.510 -0.150 0.000 1.291 391 N CA -0.879 52.117 53.050 -0.090 0.000 0.780 391 N CB 0.796 39.258 38.487 -0.041 0.000 1.520 391 N HN 0.149 nan 8.380 nan 0.000 0.486 392 T N 0.169 114.604 114.554 -0.198 0.000 2.714 392 T HA -0.179 4.159 4.350 -0.020 0.000 0.268 392 T C 1.409 176.116 174.700 0.012 0.000 1.036 392 T CA 1.820 63.822 62.100 -0.164 0.000 1.148 392 T CB -0.515 68.274 68.868 -0.132 0.000 0.856 392 T HN 0.441 nan 8.240 nan 0.000 0.462 393 L N 0.838 122.050 121.223 -0.018 0.000 2.049 393 L HA -0.032 4.296 4.340 -0.020 0.000 0.203 393 L C 3.102 179.644 176.870 -0.546 0.000 1.074 393 L CA 1.561 56.226 54.840 -0.292 0.000 0.749 393 L CB -1.319 40.491 42.059 -0.415 0.000 0.907 393 L HN 0.358 nan 8.230 nan 0.000 0.439 394 T N -2.936 111.403 114.554 -0.359 0.000 2.915 394 T HA -0.122 4.216 4.350 -0.020 0.000 0.269 394 T C 1.895 176.435 174.700 -0.266 0.000 1.071 394 T CA 0.815 62.721 62.100 -0.323 0.000 1.132 394 T CB -0.119 68.610 68.868 -0.231 0.000 0.878 394 T HN 0.036 nan 8.240 nan 0.000 0.479 395 M N 0.249 119.712 119.600 -0.228 0.000 2.156 395 M HA 0.243 4.711 4.480 -0.020 0.000 0.264 395 M C 2.019 178.225 176.300 -0.158 0.000 1.067 395 M CA 0.996 56.161 55.300 -0.224 0.000 1.131 395 M CB -1.175 31.253 32.600 -0.285 0.000 1.368 395 M HN 0.315 nan 8.290 nan 0.000 0.416 396 F N 0.106 120.065 119.950 0.015 0.000 2.234 396 F HA -0.067 4.448 4.527 -0.021 0.000 0.299 396 F C 2.461 178.372 175.800 0.185 0.000 1.087 396 F CA 0.794 58.885 58.000 0.151 0.000 1.340 396 F CB -0.674 38.532 39.000 0.344 0.000 1.031 396 F HN 0.249 nan 8.300 nan 0.000 0.500 397 G N 0.180 109.135 108.800 0.259 0.000 2.469 397 G HA2 -0.269 3.679 3.960 -0.020 0.000 0.220 397 G HA3 -0.269 3.679 3.960 -0.020 0.000 0.220 397 G C 1.643 176.574 174.900 0.052 0.000 1.136 397 G CA 0.814 46.017 45.100 0.171 0.000 0.759 397 G HN 0.104 nan 8.290 nan 0.000 0.562 398 M N 0.389 119.975 119.600 -0.023 0.000 2.080 398 M HA -0.073 4.395 4.480 -0.020 0.000 0.260 398 M C 2.831 179.166 176.300 0.059 0.000 1.068 398 M CA 0.993 56.267 55.300 -0.044 0.000 1.109 398 M CB -1.191 31.357 32.600 -0.087 0.000 1.342 398 M HN 0.154 nan 8.290 nan 0.000 0.405 399 V N 0.385 120.386 119.914 0.145 0.000 2.287 399 V HA -0.255 3.853 4.120 -0.020 0.000 0.248 399 V C 2.491 178.751 176.094 0.276 0.000 1.053 399 V CA 1.437 63.872 62.300 0.224 0.000 1.027 399 V CB -0.938 31.075 31.823 0.317 0.000 0.646 399 V HN 0.283 nan 8.190 nan 0.000 0.447 400 L N 0.503 121.891 121.223 0.275 0.000 2.141 400 L HA -0.026 4.302 4.340 -0.020 0.000 0.209 400 L C 2.583 179.504 176.870 0.085 0.000 1.094 400 L CA 1.938 56.947 54.840 0.282 0.000 0.763 400 L CB -1.199 41.019 42.059 0.265 0.000 0.908 400 L HN 0.289 nan 8.230 nan 0.000 0.437 401 A N -0.359 122.467 122.820 0.010 0.000 1.972 401 A HA -0.185 4.122 4.320 -0.020 0.000 0.219 401 A C 2.300 179.804 177.584 -0.133 0.000 1.169 401 A CA 1.528 53.511 52.037 -0.089 0.000 0.635 401 A CB -0.729 18.215 19.000 -0.093 0.000 0.810 401 A HN 0.382 nan 8.150 nan 0.000 0.446 402 I N -0.068 120.450 120.570 -0.088 0.000 2.185 402 I HA -0.315 3.843 4.170 -0.020 0.000 0.246 402 I C 2.692 178.571 176.117 -0.396 0.000 1.088 402 I CA 1.271 62.498 61.300 -0.121 0.000 1.347 402 I CB -0.754 37.277 38.000 0.052 0.000 1.041 402 I HN 0.401 nan 8.210 nan 0.000 0.415 403 G N 1.039 109.264 108.800 -0.958 0.000 2.514 403 G HA2 -0.254 3.694 3.960 -0.020 0.000 0.217 403 G HA3 -0.254 3.694 3.960 -0.020 0.000 0.217 403 G C 1.500 176.059 174.900 -0.569 0.000 1.198 403 G CA 0.776 44.975 45.100 -1.502 0.000 0.780 403 G HN 0.164 nan 8.290 nan 0.000 0.565 404 L N 0.448 121.465 121.223 -0.342 0.000 2.056 404 L HA 0.110 4.438 4.340 -0.020 0.000 0.207 404 L C 2.920 179.709 176.870 -0.135 0.000 1.078 404 L CA 1.045 55.788 54.840 -0.163 0.000 0.749 404 L CB -0.775 41.230 42.059 -0.089 0.000 0.901 404 L HN 0.229 nan 8.230 nan 0.000 0.433 405 L N -2.502 118.636 121.223 -0.142 0.000 2.095 405 L HA -0.099 4.229 4.340 -0.020 0.000 0.204 405 L C 2.454 179.270 176.870 -0.089 0.000 1.080 405 L CA 0.312 55.093 54.840 -0.098 0.000 0.759 405 L CB -0.806 41.204 42.059 -0.081 0.000 0.914 405 L HN -0.008 nan 8.230 nan 0.000 0.439 406 V N 0.347 120.197 119.914 -0.107 0.000 2.332 406 V HA -0.336 3.772 4.120 -0.020 0.000 0.248 406 V C 2.433 178.478 176.094 -0.082 0.000 1.055 406 V CA 2.165 64.419 62.300 -0.078 0.000 1.038 406 V CB -0.484 31.296 31.823 -0.072 0.000 0.651 406 V HN 0.547 nan 8.190 nan 0.000 0.450 407 D N -0.239 120.098 120.400 -0.106 0.000 2.104 407 D HA -0.220 4.407 4.640 -0.020 0.000 0.194 407 D C 1.823 178.080 176.300 -0.073 0.000 0.994 407 D CA 1.671 55.617 54.000 -0.090 0.000 0.830 407 D CB -0.082 40.664 40.800 -0.091 0.000 0.959 407 D HN 0.437 nan 8.370 nan 0.000 0.452 408 D N 0.177 120.537 120.400 -0.066 0.000 2.117 408 D HA -0.125 4.503 4.640 -0.020 0.000 0.197 408 D C 1.954 178.222 176.300 -0.054 0.000 0.987 408 D CA 1.242 55.209 54.000 -0.054 0.000 0.829 408 D CB -0.262 40.508 40.800 -0.051 0.000 0.961 408 D HN 0.271 nan 8.370 nan 0.000 0.460 409 A N 0.835 123.621 122.820 -0.056 0.000 1.898 409 A HA -0.103 4.204 4.320 -0.020 0.000 0.216 409 A C 2.405 179.959 177.584 -0.051 0.000 1.181 409 A CA 0.684 52.690 52.037 -0.051 0.000 0.620 409 A CB -0.639 18.335 19.000 -0.043 0.000 0.819 409 A HN 0.157 nan 8.150 nan 0.000 0.442 410 I N -0.408 120.127 120.570 -0.059 0.000 2.127 410 I HA -0.253 3.904 4.170 -0.020 0.000 0.241 410 I C 2.399 178.469 176.117 -0.079 0.000 1.075 410 I CA 1.388 62.643 61.300 -0.076 0.000 1.334 410 I CB -0.437 37.504 38.000 -0.098 0.000 1.040 410 I HN 0.158 nan 8.210 nan 0.000 0.405 411 V N 0.566 120.436 119.914 -0.073 0.000 2.287 411 V HA -0.271 3.837 4.120 -0.020 0.000 0.248 411 V C 2.428 178.498 176.094 -0.040 0.000 1.053 411 V CA 1.771 64.032 62.300 -0.064 0.000 1.027 411 V CB -0.424 31.367 31.823 -0.054 0.000 0.646 411 V HN 0.245 nan 8.190 nan 0.000 0.447 412 V N -0.540 119.352 119.914 -0.035 0.000 2.261 412 V HA -0.219 3.888 4.120 -0.020 0.000 0.246 412 V C 2.363 178.441 176.094 -0.028 0.000 1.047 412 V CA 1.986 64.271 62.300 -0.026 0.000 1.015 412 V CB -0.459 31.345 31.823 -0.031 0.000 0.642 412 V HN 0.394 nan 8.190 nan 0.000 0.446 413 V N -0.097 119.794 119.914 -0.037 0.000 2.237 413 V HA -0.253 3.855 4.120 -0.020 0.000 0.245 413 V C 2.634 178.702 176.094 -0.044 0.000 1.046 413 V CA 2.233 64.510 62.300 -0.037 0.000 1.007 413 V CB -0.718 31.082 31.823 -0.038 0.000 0.638 413 V HN 0.591 nan 8.190 nan 0.000 0.445 414 E N 0.560 120.725 120.200 -0.058 0.000 2.130 414 E HA -0.297 4.041 4.350 -0.020 0.000 0.196 414 E C 2.021 178.595 176.600 -0.043 0.000 0.998 414 E CA 1.979 58.339 56.400 -0.067 0.000 0.806 414 E CB -0.331 29.310 29.700 -0.099 0.000 0.738 414 E HN 0.660 nan 8.360 nan 0.000 0.459 415 N N -0.415 118.272 118.700 -0.021 0.000 2.084 415 N HA -0.148 4.580 4.740 -0.020 0.000 0.190 415 N C 1.900 177.412 175.510 0.004 0.000 1.030 415 N CA 1.891 54.951 53.050 0.017 0.000 0.849 415 N CB 0.047 38.563 38.487 0.049 0.000 1.012 415 N HN -0.012 nan 8.380 nan 0.000 0.423 416 V N 0.989 120.895 119.914 -0.012 0.000 2.407 416 V HA -0.152 3.956 4.120 -0.020 0.000 0.248 416 V C 2.115 178.189 176.094 -0.033 0.000 1.055 416 V CA 1.481 63.769 62.300 -0.019 0.000 1.049 416 V CB -0.590 31.222 31.823 -0.019 0.000 0.662 416 V HN 0.343 nan 8.190 nan 0.000 0.455 417 E N 0.301 120.475 120.200 -0.044 0.000 2.118 417 E HA -0.235 4.103 4.350 -0.020 0.000 0.195 417 E C 2.328 178.883 176.600 -0.075 0.000 0.992 417 E CA 1.229 57.590 56.400 -0.065 0.000 0.804 417 E CB -0.271 29.386 29.700 -0.072 0.000 0.741 417 E HN 0.559 nan 8.360 nan 0.000 0.458 418 R N 0.908 121.378 120.500 -0.050 0.000 2.062 418 R HA -0.090 4.238 4.340 -0.020 0.000 0.231 418 R C 2.329 178.607 176.300 -0.036 0.000 1.136 418 R CA 1.296 57.373 56.100 -0.040 0.000 0.948 418 R CB -0.223 30.081 30.300 0.007 0.000 0.845 418 R HN -0.003 nan 8.270 nan 0.000 0.430 419 V N 1.454 121.356 119.914 -0.019 0.000 2.594 419 V HA -0.252 3.856 4.120 -0.020 0.000 0.253 419 V C 2.419 178.494 176.094 -0.031 0.000 1.069 419 V CA 1.683 63.972 62.300 -0.018 0.000 1.082 419 V CB -0.393 31.422 31.823 -0.013 0.000 0.680 419 V HN 0.405 nan 8.190 nan 0.000 0.469 420 M N -0.650 118.923 119.600 -0.044 0.000 2.288 420 M HA -0.033 4.434 4.480 -0.020 0.000 0.266 420 M C 2.271 178.528 176.300 -0.072 0.000 1.072 420 M CA 1.684 56.953 55.300 -0.052 0.000 1.132 420 M CB -0.339 32.228 32.600 -0.055 0.000 1.386 420 M HN 0.425 nan 8.290 nan 0.000 0.432 421 A N -0.213 122.541 122.820 -0.109 0.000 1.903 421 A HA -0.094 4.214 4.320 -0.020 0.000 0.213 421 A C 1.892 179.419 177.584 -0.094 0.000 1.185 421 A CA 1.168 53.101 52.037 -0.174 0.000 0.628 421 A CB -0.451 18.332 19.000 -0.362 0.000 0.830 421 A HN 0.426 nan 8.150 nan 0.000 0.446 422 E N -0.769 119.402 120.200 -0.048 0.000 2.208 422 E HA -0.121 4.216 4.350 -0.020 0.000 0.193 422 E C 1.516 178.121 176.600 0.008 0.000 0.988 422 E CA 1.256 57.661 56.400 0.008 0.000 0.828 422 E CB 0.098 29.810 29.700 0.019 0.000 0.763 422 E HN 0.764 nan 8.360 nan 0.000 0.478 423 E N -2.371 117.824 120.200 -0.008 0.000 2.441 423 E HA 0.178 4.515 4.350 -0.020 0.000 0.207 423 E C 0.533 177.127 176.600 -0.009 0.000 0.803 423 E CA 0.437 56.834 56.400 -0.005 0.000 1.240 423 E CB 1.540 31.235 29.700 -0.009 0.000 1.233 423 E HN 0.174 nan 8.360 nan 0.000 0.590 424 G N 1.991 110.780 108.800 -0.018 0.000 2.215 424 G HA2 -0.188 3.760 3.960 -0.020 0.000 0.198 424 G HA3 -0.188 3.760 3.960 -0.020 0.000 0.198 424 G C -0.355 174.535 174.900 -0.016 0.000 1.047 424 G CA -0.269 44.819 45.100 -0.019 0.000 0.747 424 G HN -0.016 nan 8.290 nan 0.000 0.495 425 L N 0.725 121.938 121.223 -0.018 0.000 2.375 425 L HA 0.529 4.856 4.340 -0.020 0.000 0.271 425 L C -1.533 175.328 176.870 -0.014 0.000 1.107 425 L CA -1.896 52.935 54.840 -0.015 0.000 0.806 425 L CB 0.653 42.703 42.059 -0.015 0.000 1.146 425 L HN -0.061 nan 8.230 nan 0.000 0.447 426 P HA 0.048 nan 4.420 nan 0.000 0.267 426 P C -2.031 175.266 177.300 -0.006 0.000 1.200 426 P CA -0.891 62.205 63.100 -0.007 0.000 0.772 426 P CB 0.104 31.803 31.700 -0.002 0.000 0.855 427 P HA -0.277 nan 4.420 nan 0.000 0.219 427 P C 1.369 178.671 177.300 0.003 0.000 1.161 427 P CA 2.104 65.204 63.100 0.000 0.000 0.909 427 P CB -0.108 31.598 31.700 0.010 0.000 0.793 428 K N -0.442 119.963 120.400 0.008 0.000 1.978 428 K HA -0.180 4.128 4.320 -0.020 0.000 0.214 428 K C 2.070 178.669 176.600 -0.002 0.000 1.049 428 K CA 1.766 58.058 56.287 0.008 0.000 0.939 428 K CB -0.663 31.844 32.500 0.012 0.000 0.721 428 K HN 0.332 nan 8.250 nan 0.000 0.441 429 E N 0.880 121.076 120.200 -0.006 0.000 2.153 429 E HA -0.169 4.169 4.350 -0.020 0.000 0.194 429 E C 1.962 178.553 176.600 -0.015 0.000 0.988 429 E CA 1.183 57.576 56.400 -0.013 0.000 0.811 429 E CB -0.335 29.357 29.700 -0.013 0.000 0.746 429 E HN 0.281 nan 8.360 nan 0.000 0.466 430 A N 1.529 124.341 122.820 -0.013 0.000 1.972 430 A HA -0.130 4.178 4.320 -0.020 0.000 0.219 430 A C 2.390 179.966 177.584 -0.014 0.000 1.169 430 A CA 2.008 54.036 52.037 -0.015 0.000 0.635 430 A CB -0.863 18.127 19.000 -0.017 0.000 0.810 430 A HN 0.309 nan 8.150 nan 0.000 0.446 431 T N 0.275 114.823 114.554 -0.010 0.000 2.770 431 T HA -0.107 4.231 4.350 -0.020 0.000 0.263 431 T C 1.980 176.671 174.700 -0.014 0.000 1.039 431 T CA 1.424 63.519 62.100 -0.009 0.000 1.142 431 T CB -0.259 68.609 68.868 -0.000 0.000 0.868 431 T HN 0.744 nan 8.240 nan 0.000 0.435 432 R N 1.504 121.993 120.500 -0.018 0.000 2.148 432 R HA 0.063 4.391 4.340 -0.020 0.000 0.227 432 R C 2.263 178.542 176.300 -0.034 0.000 1.103 432 R CA 1.131 57.214 56.100 -0.029 0.000 0.983 432 R CB -0.269 30.010 30.300 -0.036 0.000 0.874 432 R HN 0.249 nan 8.270 nan 0.000 0.451 433 K N 2.211 122.593 120.400 -0.030 0.000 2.001 433 K HA -0.124 4.184 4.320 -0.020 0.000 0.208 433 K C 2.297 178.877 176.600 -0.034 0.000 1.048 433 K CA 2.042 58.309 56.287 -0.034 0.000 0.932 433 K CB -0.223 32.259 32.500 -0.030 0.000 0.715 433 K HN 0.226 nan 8.250 nan 0.000 0.437 434 S N 0.351 116.037 115.700 -0.023 0.000 2.356 434 S HA -0.150 4.308 4.470 -0.020 0.000 0.223 434 S C 1.887 176.477 174.600 -0.015 0.000 1.032 434 S CA 1.384 59.576 58.200 -0.013 0.000 1.005 434 S CB -0.406 62.792 63.200 -0.004 0.000 0.867 434 S HN 0.268 nan 8.310 nan 0.000 0.449 435 M N 1.775 121.363 119.600 -0.019 0.000 2.686 435 M HA 0.139 4.607 4.480 -0.020 0.000 0.246 435 M C 2.104 178.382 176.300 -0.035 0.000 1.096 435 M CA 0.804 56.090 55.300 -0.022 0.000 1.076 435 M CB -1.812 30.776 32.600 -0.020 0.000 1.504 435 M HN 0.613 nan 8.290 nan 0.000 0.524 436 G N -0.289 108.485 108.800 -0.043 0.000 2.394 436 G HA2 -0.188 3.760 3.960 -0.020 0.000 0.214 436 G HA3 -0.188 3.760 3.960 -0.020 0.000 0.214 436 G C 1.511 176.372 174.900 -0.066 0.000 1.176 436 G CA 0.200 45.267 45.100 -0.056 0.000 0.786 436 G HN 0.460 nan 8.290 nan 0.000 0.533 437 Q N -0.115 119.640 119.800 -0.076 0.000 2.339 437 Q HA 0.124 4.452 4.340 -0.020 0.000 0.205 437 Q C 2.448 178.402 176.000 -0.078 0.000 0.925 437 Q CA 0.590 56.328 55.803 -0.108 0.000 0.898 437 Q CB 0.121 28.747 28.738 -0.186 0.000 1.013 437 Q HN 0.703 nan 8.270 nan 0.000 0.504 438 I N -2.441 118.109 120.570 -0.032 0.000 3.793 438 I HA 0.058 4.216 4.170 -0.020 0.000 0.315 438 I C 2.029 178.143 176.117 -0.005 0.000 1.275 438 I CA 0.142 61.450 61.300 0.014 0.000 1.214 438 I CB 0.044 38.082 38.000 0.064 0.000 1.018 438 I HN 0.054 nan 8.210 nan 0.000 0.439 439 Q N 2.027 121.813 119.800 -0.023 0.000 1.990 439 Q HA -0.092 4.236 4.340 -0.020 0.000 0.200 439 Q C 2.239 178.221 176.000 -0.030 0.000 0.980 439 Q CA 2.149 57.937 55.803 -0.026 0.000 0.832 439 Q CB -0.364 28.354 28.738 -0.033 0.000 0.897 439 Q HN 0.639 nan 8.270 nan 0.000 0.427 440 G N -0.254 108.522 108.800 -0.040 0.000 2.471 440 G HA2 -0.145 3.802 3.960 -0.020 0.000 0.219 440 G HA3 -0.145 3.802 3.960 -0.020 0.000 0.219 440 G C 1.343 176.211 174.900 -0.053 0.000 1.125 440 G CA 0.730 45.801 45.100 -0.048 0.000 0.775 440 G HN 0.469 nan 8.290 nan 0.000 0.548 441 A N 0.638 123.433 122.820 -0.043 0.000 1.898 441 A HA 0.136 4.444 4.320 -0.020 0.000 0.216 441 A C 2.346 179.912 177.584 -0.031 0.000 1.181 441 A CA 1.011 53.026 52.037 -0.037 0.000 0.620 441 A CB -0.325 18.679 19.000 0.006 0.000 0.819 441 A HN 0.347 nan 8.150 nan 0.000 0.442 442 L N -0.548 120.663 121.223 -0.020 0.000 2.156 442 L HA -0.091 4.237 4.340 -0.020 0.000 0.208 442 L C 2.354 179.211 176.870 -0.022 0.000 1.095 442 L CA 0.553 55.382 54.840 -0.019 0.000 0.770 442 L CB -0.254 41.795 42.059 -0.016 0.000 0.914 442 L HN 0.236 nan 8.230 nan 0.000 0.439 443 V N -0.202 119.696 119.914 -0.027 0.000 2.453 443 V HA -0.109 3.999 4.120 -0.020 0.000 0.247 443 V C 2.564 178.638 176.094 -0.033 0.000 1.048 443 V CA 1.741 64.026 62.300 -0.024 0.000 1.049 443 V CB -1.013 30.796 31.823 -0.023 0.000 0.672 443 V HN 0.529 nan 8.190 nan 0.000 0.457 444 G N 1.492 110.261 108.800 -0.052 0.000 2.404 444 G HA2 -0.234 3.713 3.960 -0.020 0.000 0.215 444 G HA3 -0.234 3.713 3.960 -0.020 0.000 0.215 444 G C 1.510 176.370 174.900 -0.067 0.000 1.174 444 G CA 1.282 46.336 45.100 -0.076 0.000 0.780 444 G HN 0.659 nan 8.290 nan 0.000 0.537 445 I N -0.067 120.473 120.570 -0.051 0.000 2.394 445 I HA 0.166 4.324 4.170 -0.020 0.000 0.251 445 I C 2.694 178.810 176.117 -0.002 0.000 1.136 445 I CA 1.246 62.528 61.300 -0.030 0.000 1.425 445 I CB -0.648 37.342 38.000 -0.016 0.000 1.079 445 I HN 0.100 nan 8.210 nan 0.000 0.425 446 A N 1.063 123.884 122.820 0.001 0.000 2.015 446 A HA -0.035 4.273 4.320 -0.020 0.000 0.219 446 A C 2.280 179.884 177.584 0.032 0.000 1.163 446 A CA 1.707 53.757 52.037 0.023 0.000 0.646 446 A CB -0.543 18.464 19.000 0.012 0.000 0.806 446 A HN 0.449 nan 8.150 nan 0.000 0.448 447 M N -0.420 119.185 119.600 0.009 0.000 2.156 447 M HA -0.076 4.392 4.480 -0.020 0.000 0.264 447 M C 2.099 178.407 176.300 0.012 0.000 1.067 447 M CA 1.308 56.613 55.300 0.008 0.000 1.131 447 M CB -1.156 31.434 32.600 -0.018 0.000 1.368 447 M HN 0.240 nan 8.290 nan 0.000 0.416 448 V N 0.342 120.253 119.914 -0.005 0.000 2.667 448 V HA -0.172 3.936 4.120 -0.020 0.000 0.252 448 V C 2.416 178.521 176.094 0.018 0.000 1.065 448 V CA 1.060 63.357 62.300 -0.006 0.000 1.083 448 V CB -0.690 31.115 31.823 -0.029 0.000 0.692 448 V HN 0.400 nan 8.190 nan 0.000 0.468 449 L N 0.645 121.897 121.223 0.048 0.000 2.162 449 L HA -0.044 4.284 4.340 -0.020 0.000 0.205 449 L C 2.702 179.670 176.870 0.164 0.000 1.086 449 L CA 1.436 56.330 54.840 0.091 0.000 0.778 449 L CB -0.595 41.554 42.059 0.151 0.000 0.928 449 L HN 0.535 nan 8.230 nan 0.000 0.446 450 S N 0.445 116.250 115.700 0.175 0.000 2.442 450 S HA -0.123 4.335 4.470 -0.020 0.000 0.236 450 S C 2.071 176.763 174.600 0.155 0.000 1.007 450 S CA 0.777 59.107 58.200 0.216 0.000 0.965 450 S CB -0.358 62.928 63.200 0.144 0.000 0.773 450 S HN 0.332 nan 8.310 nan 0.000 0.504 451 A N 1.534 124.403 122.820 0.082 0.000 2.125 451 A HA 0.094 4.401 4.320 -0.020 0.000 0.219 451 A C 2.372 179.971 177.584 0.024 0.000 1.156 451 A CA 1.480 53.546 52.037 0.049 0.000 0.671 451 A CB -0.859 18.157 19.000 0.028 0.000 0.794 451 A HN 1.049 nan 8.150 nan 0.000 0.459 452 V N -4.996 114.890 119.914 -0.047 0.000 2.685 452 V HA 0.114 4.222 4.120 -0.020 0.000 0.244 452 V C 2.069 178.081 176.094 -0.137 0.000 1.054 452 V CA 1.115 63.312 62.300 -0.172 0.000 1.076 452 V CB -0.908 30.674 31.823 -0.401 0.000 0.725 452 V HN 0.337 nan 8.190 nan 0.000 0.467 453 F N 0.547 120.574 119.950 0.129 0.000 2.219 453 F HA 0.126 4.641 4.527 -0.021 0.000 0.294 453 F C 2.506 178.415 175.800 0.181 0.000 1.086 453 F CA 1.611 59.705 58.000 0.156 0.000 1.330 453 F CB -0.409 38.665 39.000 0.123 0.000 1.047 453 F HN -0.051 nan 8.300 nan 0.000 0.495 454 V N 1.123 121.241 119.914 0.339 0.000 2.282 454 V HA -0.263 3.845 4.120 -0.020 0.000 0.249 454 V C -0.483 175.828 176.094 0.362 0.000 1.057 454 V CA 2.169 64.653 62.300 0.306 0.000 1.032 454 V CB -1.765 30.209 31.823 0.253 0.000 0.645 454 V HN 0.175 nan 8.190 nan 0.000 0.447 455 P HA -0.190 nan 4.420 nan 0.000 0.218 455 P C 1.793 179.207 177.300 0.190 0.000 1.146 455 P CA 1.738 64.941 63.100 0.172 0.000 0.813 455 P CB -0.212 31.514 31.700 0.043 0.000 0.778 456 M N -3.244 116.523 119.600 0.279 0.000 2.595 456 M HA 0.280 4.748 4.480 -0.020 0.000 0.248 456 M C 1.702 178.296 176.300 0.489 0.000 1.119 456 M CA 1.090 56.638 55.300 0.413 0.000 1.079 456 M CB -0.358 32.553 32.600 0.519 0.000 1.472 456 M HN -0.235 nan 8.290 nan 0.000 0.501 457 A N 0.694 123.723 122.820 0.348 0.000 1.969 457 A HA 0.036 4.344 4.320 -0.020 0.000 0.218 457 A C 1.363 178.983 177.584 0.060 0.000 1.169 457 A CA 0.968 53.110 52.037 0.176 0.000 0.635 457 A CB -0.967 18.028 19.000 -0.009 0.000 0.810 457 A HN 0.619 nan 8.150 nan 0.000 0.445 458 F N -1.142 118.865 119.950 0.095 0.000 2.769 458 F HA 0.260 4.776 4.527 -0.018 0.000 0.304 458 F C 0.240 176.024 175.800 -0.026 0.000 1.158 458 F CA -0.520 57.489 58.000 0.015 0.000 1.398 458 F CB -0.522 38.444 39.000 -0.058 0.000 1.094 458 F HN 0.030 nan 8.300 nan 0.000 0.553 459 F N 0.498 120.520 119.950 0.120 0.000 2.563 459 F HA 0.336 4.850 4.527 -0.022 0.000 0.363 459 F C 1.280 177.135 175.800 0.093 0.000 1.123 459 F CA -0.219 57.818 58.000 0.062 0.000 1.307 459 F CB 0.252 39.276 39.000 0.040 0.000 1.115 459 F HN -0.065 nan 8.300 nan 0.000 0.592 460 G N 1.422 110.398 108.800 0.293 0.000 2.437 460 G HA2 0.511 4.459 3.960 -0.020 0.000 0.319 460 G HA3 0.511 4.459 3.960 -0.020 0.000 0.319 460 G C 0.102 175.116 174.900 0.191 0.000 1.158 460 G CA -0.056 45.158 45.100 0.191 0.000 0.899 460 G HN 1.114 nan 8.290 nan 0.000 0.502 461 G N -0.096 108.787 108.800 0.138 0.000 2.641 461 G HA2 -0.144 3.803 3.960 -0.020 0.000 0.254 461 G HA3 -0.144 3.803 3.960 -0.020 0.000 0.254 461 G C 1.541 176.517 174.900 0.127 0.000 1.315 461 G CA 0.849 46.019 45.100 0.117 0.000 0.907 461 G HN 1.809 nan 8.290 nan 0.000 0.572 462 S N -1.254 114.502 115.700 0.093 0.000 2.368 462 S HA -0.208 4.250 4.470 -0.020 0.000 0.226 462 S C 2.526 177.202 174.600 0.126 0.000 1.044 462 S CA 3.178 61.425 58.200 0.078 0.000 1.062 462 S CB -0.919 62.288 63.200 0.012 0.000 0.931 462 S HN 1.315 nan 8.310 nan 0.000 0.440 463 T N 1.008 115.628 114.554 0.111 0.000 2.699 463 T HA -0.081 4.257 4.350 -0.020 0.000 0.268 463 T C 1.871 176.820 174.700 0.415 0.000 1.036 463 T CA 1.556 63.830 62.100 0.290 0.000 1.147 463 T CB -1.293 67.714 68.868 0.231 0.000 0.862 463 T HN 0.641 nan 8.240 nan 0.000 0.446 464 G N 1.078 110.085 108.800 0.347 0.000 2.440 464 G HA2 -0.082 3.866 3.960 -0.020 0.000 0.218 464 G HA3 -0.082 3.866 3.960 -0.020 0.000 0.218 464 G C 1.846 176.947 174.900 0.335 0.000 1.154 464 G CA 0.947 46.286 45.100 0.399 0.000 0.767 464 G HN 0.607 nan 8.290 nan 0.000 0.552 465 A N 0.828 123.793 122.820 0.243 0.000 1.940 465 A HA -0.006 4.302 4.320 -0.020 0.000 0.219 465 A C 2.344 180.053 177.584 0.208 0.000 1.176 465 A CA 1.400 53.555 52.037 0.197 0.000 0.631 465 A CB -0.259 18.827 19.000 0.145 0.000 0.814 465 A HN 0.310 nan 8.150 nan 0.000 0.446 466 I N -1.639 119.051 120.570 0.200 0.000 2.179 466 I HA -0.225 3.932 4.170 -0.020 0.000 0.242 466 I C 2.300 178.499 176.117 0.138 0.000 1.088 466 I CA 1.493 62.854 61.300 0.102 0.000 1.357 466 I CB -1.614 36.366 38.000 -0.034 0.000 1.051 466 I HN 0.430 nan 8.210 nan 0.000 0.409 467 Y N 0.579 120.998 120.300 0.200 0.000 2.439 467 Y HA -0.089 4.448 4.550 -0.021 0.000 0.292 467 Y C 2.767 178.856 175.900 0.316 0.000 1.130 467 Y CA 0.891 59.137 58.100 0.242 0.000 1.254 467 Y CB -0.384 38.113 38.460 0.062 0.000 1.000 467 Y HN 0.076 nan 8.280 nan 0.000 0.554 468 R N 0.117 120.851 120.500 0.390 0.000 2.148 468 R HA -0.140 4.188 4.340 -0.020 0.000 0.223 468 R C 1.969 178.410 176.300 0.236 0.000 1.088 468 R CA 0.840 57.116 56.100 0.293 0.000 0.985 468 R CB 0.118 30.565 30.300 0.244 0.000 0.880 468 R HN 0.300 nan 8.270 nan 0.000 0.451 469 Q N -0.196 119.728 119.800 0.205 0.000 2.016 469 Q HA -0.165 4.163 4.340 -0.020 0.000 0.200 469 Q C 1.982 177.910 176.000 -0.120 0.000 0.978 469 Q CA 1.630 57.449 55.803 0.026 0.000 0.833 469 Q CB -0.447 28.239 28.738 -0.086 0.000 0.895 469 Q HN 0.333 nan 8.270 nan 0.000 0.427 470 F N 0.991 120.963 119.950 0.036 0.000 2.095 470 F HA -0.218 4.297 4.527 -0.020 0.000 0.298 470 F C 2.875 178.664 175.800 -0.019 0.000 1.104 470 F CA 1.329 59.339 58.000 0.017 0.000 1.232 470 F CB -0.767 38.284 39.000 0.085 0.000 0.987 470 F HN 0.031 nan 8.300 nan 0.000 0.475 471 S N 0.374 116.240 115.700 0.277 0.000 2.359 471 S HA -0.256 4.202 4.470 -0.020 0.000 0.222 471 S C 2.103 176.716 174.600 0.022 0.000 1.038 471 S CA 1.782 60.105 58.200 0.205 0.000 1.051 471 S CB -0.588 62.764 63.200 0.253 0.000 0.944 471 S HN 0.381 nan 8.310 nan 0.000 0.433 472 I N 0.246 120.762 120.570 -0.090 0.000 2.617 472 I HA -0.089 4.069 4.170 -0.020 0.000 0.256 472 I C 1.969 177.924 176.117 -0.270 0.000 1.167 472 I CA 1.099 62.267 61.300 -0.220 0.000 1.469 472 I CB -0.192 37.567 38.000 -0.402 0.000 1.098 472 I HN 0.334 nan 8.210 nan 0.000 0.436 473 T N 1.142 115.522 114.554 -0.291 0.000 2.737 473 T HA -0.080 4.258 4.350 -0.020 0.000 0.265 473 T C 1.835 176.403 174.700 -0.221 0.000 1.038 473 T CA 1.508 63.441 62.100 -0.278 0.000 1.144 473 T CB -0.158 68.538 68.868 -0.286 0.000 0.866 473 T HN 0.266 nan 8.240 nan 0.000 0.434 474 I N 0.686 121.118 120.570 -0.231 0.000 2.233 474 I HA -0.100 4.058 4.170 -0.020 0.000 0.243 474 I C 2.486 178.424 176.117 -0.298 0.000 1.093 474 I CA 0.770 61.868 61.300 -0.336 0.000 1.380 474 I CB -0.408 37.207 38.000 -0.642 0.000 1.067 474 I HN 0.059 nan 8.210 nan 0.000 0.413 475 V N 1.060 120.842 119.914 -0.220 0.000 2.343 475 V HA -0.257 3.851 4.120 -0.020 0.000 0.247 475 V C 2.614 178.674 176.094 -0.058 0.000 1.051 475 V CA 2.352 64.599 62.300 -0.087 0.000 1.036 475 V CB -0.633 31.196 31.823 0.009 0.000 0.654 475 V HN 0.589 nan 8.190 nan 0.000 0.451 476 S N 0.502 116.160 115.700 -0.069 0.000 2.436 476 S HA 0.017 4.474 4.470 -0.020 0.000 0.228 476 S C 2.042 176.612 174.600 -0.050 0.000 1.014 476 S CA 0.943 59.125 58.200 -0.029 0.000 0.950 476 S CB -0.256 62.947 63.200 0.006 0.000 0.784 476 S HN 0.529 nan 8.310 nan 0.000 0.504 477 A N 1.757 124.522 122.820 -0.092 0.000 1.930 477 A HA 0.172 4.480 4.320 -0.020 0.000 0.217 477 A C 2.244 179.783 177.584 -0.074 0.000 1.175 477 A CA 1.388 53.370 52.037 -0.091 0.000 0.627 477 A CB -0.673 18.254 19.000 -0.122 0.000 0.815 477 A HN 0.546 nan 8.150 nan 0.000 0.443 478 M N -0.633 118.921 119.600 -0.077 0.000 2.175 478 M HA -0.071 4.397 4.480 -0.020 0.000 0.264 478 M C 2.265 178.549 176.300 -0.026 0.000 1.063 478 M CA 1.353 56.623 55.300 -0.049 0.000 1.119 478 M CB -0.146 32.434 32.600 -0.033 0.000 1.377 478 M HN 0.451 nan 8.290 nan 0.000 0.415 479 A N 0.046 122.856 122.820 -0.017 0.000 1.930 479 A HA -0.104 4.204 4.320 -0.020 0.000 0.217 479 A C 1.943 179.518 177.584 -0.015 0.000 1.175 479 A CA 1.251 53.286 52.037 -0.004 0.000 0.627 479 A CB -0.823 18.185 19.000 0.014 0.000 0.815 479 A HN 0.528 nan 8.150 nan 0.000 0.443 480 L N 0.417 121.625 121.223 -0.025 0.000 2.156 480 L HA -0.139 4.189 4.340 -0.020 0.000 0.208 480 L C 2.976 179.818 176.870 -0.046 0.000 1.095 480 L CA 1.340 56.160 54.840 -0.034 0.000 0.770 480 L CB -0.312 41.727 42.059 -0.034 0.000 0.914 480 L HN 0.604 nan 8.230 nan 0.000 0.439 481 S N -0.983 114.688 115.700 -0.047 0.000 2.383 481 S HA -0.126 4.332 4.470 -0.020 0.000 0.227 481 S C 1.914 176.483 174.600 -0.050 0.000 1.026 481 S CA 1.045 59.213 58.200 -0.053 0.000 0.981 481 S CB -0.719 62.449 63.200 -0.054 0.000 0.818 481 S HN 0.149 nan 8.310 nan 0.000 0.472 482 V N 2.155 122.046 119.914 -0.038 0.000 2.358 482 V HA -0.078 4.030 4.120 -0.020 0.000 0.246 482 V C 2.592 178.663 176.094 -0.039 0.000 1.047 482 V CA 1.616 63.897 62.300 -0.033 0.000 1.035 482 V CB -0.840 30.972 31.823 -0.019 0.000 0.658 482 V HN 0.475 nan 8.190 nan 0.000 0.452 483 L N -0.039 121.160 121.223 -0.041 0.000 2.012 483 L HA -0.149 4.179 4.340 -0.020 0.000 0.210 483 L C 2.436 179.250 176.870 -0.093 0.000 1.073 483 L CA 2.052 56.861 54.840 -0.052 0.000 0.748 483 L CB -0.395 41.639 42.059 -0.041 0.000 0.891 483 L HN 0.225 nan 8.230 nan 0.000 0.431 484 V N 0.195 120.050 119.914 -0.099 0.000 2.453 484 V HA -0.178 3.929 4.120 -0.020 0.000 0.247 484 V C 2.817 178.834 176.094 -0.129 0.000 1.048 484 V CA 1.345 63.564 62.300 -0.135 0.000 1.049 484 V CB -0.796 30.955 31.823 -0.121 0.000 0.672 484 V HN 0.551 nan 8.190 nan 0.000 0.457 485 A N -0.765 122.000 122.820 -0.091 0.000 2.125 485 A HA -0.097 4.211 4.320 -0.020 0.000 0.219 485 A C 2.127 179.673 177.584 -0.063 0.000 1.156 485 A CA 1.500 53.493 52.037 -0.072 0.000 0.671 485 A CB -0.354 18.614 19.000 -0.053 0.000 0.794 485 A HN 0.538 nan 8.150 nan 0.000 0.459 486 L N -1.663 119.519 121.223 -0.068 0.000 2.408 486 L HA 0.179 4.507 4.340 -0.020 0.000 0.215 486 L C 2.087 178.917 176.870 -0.068 0.000 1.081 486 L CA 0.381 55.198 54.840 -0.039 0.000 0.840 486 L CB 0.012 42.065 42.059 -0.010 0.000 1.002 486 L HN 0.340 nan 8.230 nan 0.000 0.468 487 I N -1.467 118.971 120.570 -0.219 0.000 2.900 487 I HA -0.103 4.055 4.170 -0.020 0.000 0.251 487 I C 1.956 177.830 176.117 -0.406 0.000 1.102 487 I CA 0.423 61.395 61.300 -0.547 0.000 1.457 487 I CB 0.127 37.660 38.000 -0.779 0.000 1.285 487 I HN 0.082 nan 8.210 nan 0.000 0.459 488 L N 0.177 121.211 121.223 -0.315 0.000 2.145 488 L HA 0.014 4.342 4.340 -0.020 0.000 0.201 488 L C 2.354 179.092 176.870 -0.219 0.000 1.075 488 L CA 1.994 56.649 54.840 -0.307 0.000 0.773 488 L CB -0.747 41.099 42.059 -0.356 0.000 0.936 488 L HN 0.144 nan 8.230 nan 0.000 0.451 489 T N 1.431 115.888 114.554 -0.161 0.000 2.708 489 T HA -0.059 4.279 4.350 -0.020 0.000 0.266 489 T C -0.723 173.940 174.700 -0.062 0.000 1.037 489 T CA 1.614 63.650 62.100 -0.107 0.000 1.146 489 T CB -1.601 67.217 68.868 -0.083 0.000 0.865 489 T HN 0.387 nan 8.240 nan 0.000 0.435 490 P HA 0.063 nan 4.420 nan 0.000 0.220 490 P C 1.403 178.714 177.300 0.019 0.000 1.148 490 P CA 1.154 64.251 63.100 -0.004 0.000 0.803 490 P CB -0.163 31.546 31.700 0.014 0.000 0.782 491 A N 0.057 122.888 122.820 0.017 0.000 1.969 491 A HA -0.070 4.238 4.320 -0.020 0.000 0.218 491 A C 2.358 179.971 177.584 0.049 0.000 1.169 491 A CA 1.096 53.167 52.037 0.057 0.000 0.635 491 A CB -1.377 17.662 19.000 0.065 0.000 0.810 491 A HN 0.135 nan 8.150 nan 0.000 0.445 492 L N -1.257 119.964 121.223 -0.004 0.000 2.162 492 L HA -0.127 4.201 4.340 -0.020 0.000 0.205 492 L C 2.444 179.340 176.870 0.043 0.000 1.086 492 L CA 0.642 55.503 54.840 0.034 0.000 0.778 492 L CB -0.661 41.388 42.059 -0.018 0.000 0.928 492 L HN 0.404 nan 8.230 nan 0.000 0.446 493 C N 0.209 119.519 119.300 0.016 0.000 2.419 493 C HA -0.070 4.378 4.460 -0.020 0.000 0.283 493 C C 2.932 177.936 174.990 0.023 0.000 1.373 493 C CA 0.913 59.938 59.018 0.013 0.000 1.781 493 C CB -0.948 26.791 27.740 -0.002 0.000 1.886 493 C HN 0.588 nan 8.230 nan 0.000 0.520 494 A N -0.531 122.312 122.820 0.037 0.000 2.044 494 A HA 0.024 4.332 4.320 -0.020 0.000 0.213 494 A C 2.133 179.752 177.584 0.058 0.000 1.169 494 A CA 1.697 53.760 52.037 0.043 0.000 0.724 494 A CB -0.467 18.562 19.000 0.049 0.000 0.840 494 A HN 0.509 nan 8.150 nan 0.000 0.463 495 T N 0.335 114.938 114.554 0.082 0.000 2.898 495 T HA 0.017 4.355 4.350 -0.020 0.000 0.241 495 T C 1.959 176.716 174.700 0.095 0.000 1.024 495 T CA 1.441 63.603 62.100 0.103 0.000 1.174 495 T CB -0.254 68.710 68.868 0.160 0.000 0.873 495 T HN 0.593 nan 8.240 nan 0.000 0.422 496 M N 0.171 119.835 119.600 0.106 0.000 2.465 496 M HA 0.393 4.861 4.480 -0.020 0.000 0.249 496 M C 0.152 176.494 176.300 0.071 0.000 1.130 496 M CA 0.067 55.430 55.300 0.105 0.000 1.067 496 M CB -0.249 32.441 32.600 0.149 0.000 1.394 496 M HN 0.034 nan 8.290 nan 0.000 0.483 497 L N 3.419 124.670 121.223 0.046 0.000 2.418 497 L HA 0.219 4.547 4.340 -0.020 0.000 0.274 497 L C 0.277 177.147 176.870 0.001 0.000 1.135 497 L CA 0.556 55.403 54.840 0.013 0.000 0.870 497 L CB 0.393 42.454 42.059 0.002 0.000 1.154 497 L HN 0.219 nan 8.230 nan 0.000 0.462 498 K N 7.297 127.683 120.400 -0.023 0.000 2.412 498 K HA 0.228 4.536 4.320 -0.020 0.000 0.281 498 K C -2.181 174.397 176.600 -0.037 0.000 1.027 498 K CA -1.358 54.911 56.287 -0.031 0.000 0.989 498 K CB 0.523 32.983 32.500 -0.066 0.000 0.935 498 K HN 0.411 nan 8.250 nan 0.000 0.475 499 P HA 0.017 nan 4.420 nan 0.000 0.267 499 P C -0.739 176.539 177.300 -0.036 0.000 1.205 499 P CA 0.415 63.501 63.100 -0.024 0.000 0.765 499 P CB 0.453 32.146 31.700 -0.011 0.000 0.828 500 I N 2.192 122.737 120.570 -0.042 0.000 2.406 500 I HA 0.376 4.534 4.170 -0.020 0.000 0.290 500 I C 0.803 176.895 176.117 -0.042 0.000 0.999 500 I CA -1.065 60.204 61.300 -0.053 0.000 1.124 500 I CB 1.804 39.757 38.000 -0.078 0.000 1.289 500 I HN 0.342 nan 8.210 nan 0.000 0.441 501 A N 6.881 129.682 122.820 -0.032 0.000 2.448 501 A HA 0.199 4.507 4.320 -0.020 0.000 0.239 501 A C 0.222 177.792 177.584 -0.023 0.000 1.080 501 A CA -0.353 51.672 52.037 -0.020 0.000 0.779 501 A CB 0.155 19.150 19.000 -0.008 0.000 1.026 501 A HN 0.752 nan 8.150 nan 0.000 0.499 502 K N 1.373 121.766 120.400 -0.011 0.000 2.412 502 K HA 0.378 4.686 4.320 -0.020 0.000 0.284 502 K C 0.586 177.194 176.600 0.012 0.000 1.046 502 K CA 0.451 56.734 56.287 -0.006 0.000 0.999 502 K CB -0.245 32.256 32.500 0.001 0.000 0.941 502 K HN 1.853 nan 8.250 nan 0.000 0.474 503 G N 2.930 111.739 108.800 0.015 0.000 2.324 503 G HA2 -0.229 3.719 3.960 -0.020 0.000 0.292 503 G HA3 -0.229 3.719 3.960 -0.020 0.000 0.292 503 G C 0.025 175.000 174.900 0.125 0.000 1.079 503 G CA 0.276 45.430 45.100 0.090 0.000 1.026 503 G HN 0.833 nan 8.290 nan 0.000 0.506 504 D N -0.305 120.107 120.400 0.020 0.000 2.458 504 D HA 0.061 4.689 4.640 -0.020 0.000 0.252 504 D C 1.660 178.047 176.300 0.145 0.000 1.221 504 D CA 1.079 55.101 54.000 0.037 0.000 0.985 504 D CB 0.037 40.814 40.800 -0.038 0.000 1.050 504 D HN 0.590 nan 8.370 nan 0.000 0.411 505 H N -1.631 117.436 119.070 -0.006 0.000 3.642 505 H HA -0.130 4.414 4.556 -0.020 0.000 0.185 505 H C 0.992 176.320 175.328 -0.001 0.000 0.992 505 H CA 0.799 56.843 56.048 -0.006 0.000 1.216 505 H CB -1.692 28.071 29.762 0.003 0.000 1.055 505 H HN 0.491 nan 8.280 nan 0.000 0.351 506 G N 1.507 110.353 108.800 0.078 0.000 2.416 506 G HA2 -0.347 3.600 3.960 -0.020 0.000 0.301 506 G HA3 -0.347 3.600 3.960 -0.020 0.000 0.301 506 G C 0.049 175.006 174.900 0.095 0.000 0.985 506 G CA 1.153 46.290 45.100 0.062 0.000 0.934 506 G HN 0.704 nan 8.290 nan 0.000 0.513 507 E N -0.050 120.209 120.200 0.099 0.000 2.180 507 E HA 0.459 4.797 4.350 -0.020 0.000 0.283 507 E C 1.297 177.925 176.600 0.048 0.000 1.061 507 E CA 0.181 56.626 56.400 0.075 0.000 0.861 507 E CB -0.021 29.710 29.700 0.052 0.000 1.056 507 E HN 1.240 nan 8.360 nan 0.000 0.407 508 G N 4.493 113.320 108.800 0.045 0.000 2.338 508 G HA2 -0.331 3.617 3.960 -0.020 0.000 0.296 508 G HA3 -0.331 3.617 3.960 -0.020 0.000 0.296 508 G C 0.587 175.571 174.900 0.140 0.000 1.040 508 G CA 0.929 46.038 45.100 0.016 0.000 1.004 508 G HN 0.638 nan 8.290 nan 0.000 0.509 509 K N -0.751 119.762 120.400 0.188 0.000 2.161 509 K HA 0.211 4.519 4.320 -0.020 0.000 0.205 509 K C 1.998 178.712 176.600 0.190 0.000 1.035 509 K CA 0.775 57.156 56.287 0.157 0.000 0.970 509 K CB 0.105 32.671 32.500 0.111 0.000 0.866 509 K HN 0.275 nan 8.250 nan 0.000 0.461 510 K N -1.023 119.514 120.400 0.227 0.000 2.438 510 K HA 0.178 4.486 4.320 -0.020 0.000 0.206 510 K C 0.493 177.232 176.600 0.232 0.000 1.081 510 K CA 0.447 56.862 56.287 0.213 0.000 1.053 510 K CB 1.689 34.304 32.500 0.191 0.000 0.908 510 K HN 0.435 nan 8.250 nan 0.000 0.556 511 G N 1.689 110.647 108.800 0.263 0.000 5.155 511 G HA2 -0.398 3.549 3.960 -0.020 0.000 0.239 511 G HA3 -0.398 3.549 3.960 -0.020 0.000 0.239 511 G C 0.875 175.713 174.900 -0.104 0.000 1.409 511 G CA 0.466 45.555 45.100 -0.017 0.000 0.927 511 G HN 0.215 nan 8.290 nan 0.000 0.710 512 F N 0.381 120.231 119.950 -0.166 0.000 2.171 512 F HA 0.277 4.792 4.527 -0.020 0.000 0.300 512 F C 2.382 177.608 175.800 -0.957 0.000 1.090 512 F CA 2.243 59.968 58.000 -0.459 0.000 1.293 512 F CB -0.218 38.561 39.000 -0.368 0.000 1.013 512 F HN 0.239 nan 8.300 nan 0.000 0.486 513 F N -2.192 117.661 119.950 -0.162 0.000 2.740 513 F HA 0.286 4.801 4.527 -0.020 0.000 0.304 513 F C 2.230 178.051 175.800 0.036 0.000 1.098 513 F CA 0.432 58.282 58.000 -0.250 0.000 1.258 513 F CB -0.845 38.031 39.000 -0.206 0.000 1.061 513 F HN -0.165 nan 8.300 nan 0.000 0.598 514 G N -0.175 108.809 108.800 0.307 0.000 2.414 514 G HA2 -0.231 3.717 3.960 -0.020 0.000 0.215 514 G HA3 -0.231 3.717 3.960 -0.020 0.000 0.215 514 G C 1.066 176.212 174.900 0.410 0.000 1.188 514 G CA 0.468 45.764 45.100 0.325 0.000 0.783 514 G HN 0.274 nan 8.290 nan 0.000 0.537 515 W N 0.280 121.698 121.300 0.197 0.000 2.424 515 W HA 0.159 4.806 4.660 -0.020 0.000 0.264 515 W C 2.018 178.705 176.519 0.280 0.000 1.229 515 W CA -0.072 57.393 57.345 0.199 0.000 1.208 515 W CB -0.543 29.011 29.460 0.156 0.000 1.127 515 W HN 0.118 nan 8.180 nan 0.000 0.588 516 F N 0.154 120.248 119.950 0.239 0.000 2.234 516 F HA -0.115 4.400 4.527 -0.020 0.000 0.296 516 F C 2.134 178.110 175.800 0.294 0.000 1.089 516 F CA 0.956 59.080 58.000 0.206 0.000 1.343 516 F CB -1.128 37.968 39.000 0.160 0.000 1.040 516 F HN -0.156 nan 8.300 nan 0.000 0.498 517 N N 0.204 119.141 118.700 0.396 0.000 2.244 517 N HA -0.102 4.626 4.740 -0.020 0.000 0.183 517 N C 1.976 177.616 175.510 0.218 0.000 1.016 517 N CA 0.681 53.898 53.050 0.280 0.000 0.866 517 N CB -0.258 38.326 38.487 0.162 0.000 0.980 517 N HN 0.270 nan 8.380 nan 0.000 0.430 518 R N 0.426 121.008 120.500 0.137 0.000 2.081 518 R HA 0.006 4.334 4.340 -0.020 0.000 0.235 518 R C 2.270 178.570 176.300 0.001 0.000 1.131 518 R CA 1.119 57.234 56.100 0.025 0.000 0.960 518 R CB -0.121 30.134 30.300 -0.075 0.000 0.856 518 R HN 0.234 nan 8.270 nan 0.000 0.436 519 M N -0.414 119.172 119.600 -0.023 0.000 2.082 519 M HA -0.196 4.272 4.480 -0.020 0.000 0.258 519 M C 2.062 178.231 176.300 -0.219 0.000 1.069 519 M CA 1.902 57.092 55.300 -0.184 0.000 1.102 519 M CB -0.915 31.457 32.600 -0.380 0.000 1.336 519 M HN 0.076 nan 8.290 nan 0.000 0.404 520 F N 0.738 120.636 119.950 -0.086 0.000 2.163 520 F HA -0.142 4.373 4.527 -0.020 0.000 0.297 520 F C 2.662 178.385 175.800 -0.129 0.000 1.094 520 F CA 1.510 59.450 58.000 -0.100 0.000 1.290 520 F CB -0.676 38.277 39.000 -0.079 0.000 1.017 520 F HN 0.156 nan 8.300 nan 0.000 0.483 521 E N 0.772 121.008 120.200 0.060 0.000 2.106 521 E HA -0.151 4.186 4.350 -0.020 0.000 0.192 521 E C 1.968 178.444 176.600 -0.207 0.000 0.984 521 E CA 1.337 57.661 56.400 -0.127 0.000 0.806 521 E CB -0.112 29.533 29.700 -0.093 0.000 0.750 521 E HN 0.215 nan 8.360 nan 0.000 0.458 522 K N -0.173 120.191 120.400 -0.059 0.000 2.002 522 K HA -0.105 4.203 4.320 -0.020 0.000 0.209 522 K C 2.270 178.909 176.600 0.065 0.000 1.048 522 K CA 1.634 57.922 56.287 0.003 0.000 0.930 522 K CB -0.200 32.355 32.500 0.091 0.000 0.714 522 K HN 0.206 nan 8.250 nan 0.000 0.438 523 S N 0.103 115.844 115.700 0.069 0.000 2.423 523 S HA -0.127 4.330 4.470 -0.020 0.000 0.231 523 S C 2.071 176.602 174.600 -0.114 0.000 1.014 523 S CA 1.630 59.867 58.200 0.061 0.000 0.965 523 S CB -0.386 62.742 63.200 -0.120 0.000 0.785 523 S HN 0.240 nan 8.310 nan 0.000 0.495 524 T N 1.030 115.468 114.554 -0.194 0.000 2.904 524 T HA -0.034 4.304 4.350 -0.020 0.000 0.267 524 T C 1.504 176.152 174.700 -0.086 0.000 1.059 524 T CA 1.242 63.218 62.100 -0.207 0.000 1.137 524 T CB -0.412 68.329 68.868 -0.212 0.000 0.879 524 T HN 0.717 nan 8.240 nan 0.000 0.467 525 H N -0.951 118.084 119.070 -0.058 0.000 2.363 525 H HA 0.059 4.603 4.556 -0.020 0.000 0.301 525 H C 2.241 177.542 175.328 -0.044 0.000 1.074 525 H CA 1.465 57.455 56.048 -0.096 0.000 1.354 525 H CB 0.004 29.639 29.762 -0.212 0.000 1.397 525 H HN 0.520 nan 8.280 nan 0.000 0.516 526 H N -0.929 118.264 119.070 0.204 0.000 2.421 526 H HA -0.159 4.385 4.556 -0.020 0.000 0.298 526 H C 1.481 176.979 175.328 0.284 0.000 1.087 526 H CA 1.217 57.385 56.048 0.200 0.000 1.330 526 H CB 0.113 29.980 29.762 0.176 0.000 1.388 526 H HN 0.330 nan 8.280 nan 0.000 0.526 527 Y N -0.154 120.256 120.300 0.184 0.000 2.133 527 Y HA -0.225 4.313 4.550 -0.020 0.000 0.287 527 Y C 2.988 178.962 175.900 0.123 0.000 1.134 527 Y CA 1.597 59.792 58.100 0.158 0.000 1.133 527 Y CB -0.871 37.642 38.460 0.088 0.000 0.987 527 Y HN 0.153 nan 8.280 nan 0.000 0.502 528 T N -0.752 113.950 114.554 0.248 0.000 2.915 528 T HA -0.122 4.215 4.350 -0.020 0.000 0.269 528 T C 1.263 176.024 174.700 0.102 0.000 1.071 528 T CA 1.654 63.836 62.100 0.137 0.000 1.132 528 T CB -0.289 68.642 68.868 0.106 0.000 0.878 528 T HN 0.225 nan 8.240 nan 0.000 0.479 529 D N 0.797 121.266 120.400 0.115 0.000 2.183 529 D HA -0.027 4.601 4.640 -0.020 0.000 0.203 529 D C 2.423 178.762 176.300 0.065 0.000 0.969 529 D CA 1.399 55.445 54.000 0.076 0.000 0.842 529 D CB -0.285 40.562 40.800 0.078 0.000 0.957 529 D HN 0.584 nan 8.370 nan 0.000 0.484 530 S N -0.488 115.264 115.700 0.088 0.000 2.470 530 S HA -0.000 4.458 4.470 -0.020 0.000 0.225 530 S C 2.036 176.648 174.600 0.020 0.000 1.006 530 S CA 0.043 58.269 58.200 0.042 0.000 0.934 530 S CB -0.241 62.978 63.200 0.031 0.000 0.778 530 S HN 0.050 nan 8.310 nan 0.000 0.517 531 V N 2.518 122.472 119.914 0.067 0.000 2.343 531 V HA -0.052 4.056 4.120 -0.020 0.000 0.247 531 V C 2.887 178.961 176.094 -0.033 0.000 1.051 531 V CA 1.952 64.276 62.300 0.040 0.000 1.036 531 V CB -1.568 30.280 31.823 0.042 0.000 0.654 531 V HN 0.640 nan 8.190 nan 0.000 0.451 532 G N -0.041 108.752 108.800 -0.012 0.000 2.442 532 G HA2 -0.177 3.771 3.960 -0.020 0.000 0.219 532 G HA3 -0.177 3.771 3.960 -0.020 0.000 0.219 532 G C 1.596 176.470 174.900 -0.044 0.000 1.141 532 G CA 0.985 46.072 45.100 -0.023 0.000 0.763 532 G HN 0.592 nan 8.290 nan 0.000 0.554 533 G N 1.440 110.216 108.800 -0.041 0.000 2.408 533 G HA2 -0.069 3.879 3.960 -0.020 0.000 0.217 533 G HA3 -0.069 3.879 3.960 -0.020 0.000 0.217 533 G C 1.728 176.565 174.900 -0.104 0.000 1.150 533 G CA 1.109 46.183 45.100 -0.043 0.000 0.776 533 G HN 0.689 nan 8.290 nan 0.000 0.542 534 I N -1.692 118.739 120.570 -0.232 0.000 3.111 534 I HA 0.246 4.404 4.170 -0.020 0.000 0.272 534 I C 2.082 177.813 176.117 -0.644 0.000 1.268 534 I CA 0.717 61.629 61.300 -0.646 0.000 1.467 534 I CB -0.061 37.466 38.000 -0.789 0.000 1.087 534 I HN 0.066 nan 8.210 nan 0.000 0.467 535 L N 0.025 121.076 121.223 -0.287 0.000 2.200 535 L HA 0.152 4.479 4.340 -0.020 0.000 0.200 535 L C 2.784 179.605 176.870 -0.082 0.000 1.072 535 L CA 0.602 55.338 54.840 -0.173 0.000 0.787 535 L CB -0.363 41.640 42.059 -0.095 0.000 0.957 535 L HN 0.055 nan 8.230 nan 0.000 0.459 536 R N 0.133 120.604 120.500 -0.047 0.000 2.119 536 R HA -0.127 4.201 4.340 -0.020 0.000 0.246 536 R C 0.868 177.183 176.300 0.025 0.000 1.146 536 R CA 1.431 57.529 56.100 -0.004 0.000 0.962 536 R CB -0.532 29.770 30.300 0.004 0.000 0.863 536 R HN 0.372 nan 8.270 nan 0.000 0.442 537 S N -0.403 115.329 115.700 0.053 0.000 2.438 537 S HA 0.252 4.709 4.470 -0.020 0.000 0.293 537 S C 0.368 175.073 174.600 0.175 0.000 1.141 537 S CA -0.877 57.398 58.200 0.125 0.000 1.080 537 S CB 2.175 65.487 63.200 0.186 0.000 0.978 537 S HN -0.039 nan 8.310 nan 0.000 0.479 538 T N 3.312 117.956 114.554 0.149 0.000 3.053 538 T HA 0.200 4.538 4.350 -0.020 0.000 0.236 538 T C 2.100 176.931 174.700 0.219 0.000 0.996 538 T CA 0.748 62.944 62.100 0.161 0.000 1.185 538 T CB -0.854 68.073 68.868 0.099 0.000 0.892 538 T HN 0.757 nan 8.240 nan 0.000 0.432 539 G N 1.294 110.185 108.800 0.152 0.000 2.462 539 G HA2 -0.229 3.719 3.960 -0.020 0.000 0.220 539 G HA3 -0.229 3.719 3.960 -0.020 0.000 0.220 539 G C 1.577 176.545 174.900 0.114 0.000 1.121 539 G CA 0.497 45.672 45.100 0.124 0.000 0.758 539 G HN 0.346 nan 8.290 nan 0.000 0.559 540 R N -1.203 119.354 120.500 0.094 0.000 2.189 540 R HA 0.025 4.353 4.340 -0.020 0.000 0.218 540 R C 1.714 177.939 176.300 -0.125 0.000 1.074 540 R CA 0.771 56.842 56.100 -0.049 0.000 0.991 540 R CB -0.094 30.117 30.300 -0.150 0.000 0.883 540 R HN 0.533 nan 8.270 nan 0.000 0.457 541 Y N -1.340 119.024 120.300 0.106 0.000 2.503 541 Y HA -0.012 4.525 4.550 -0.020 0.000 0.277 541 Y C 1.653 177.765 175.900 0.354 0.000 1.102 541 Y CA 0.021 58.234 58.100 0.188 0.000 1.261 541 Y CB 0.098 38.596 38.460 0.063 0.000 1.096 541 Y HN 0.006 nan 8.280 nan 0.000 0.546 542 L N -0.742 120.715 121.223 0.389 0.000 2.093 542 L HA -0.104 4.224 4.340 -0.020 0.000 0.208 542 L C 2.056 179.105 176.870 0.298 0.000 1.085 542 L CA 1.278 56.325 54.840 0.345 0.000 0.755 542 L CB -0.585 41.616 42.059 0.237 0.000 0.904 542 L HN 0.015 nan 8.230 nan 0.000 0.435 543 V N -0.663 119.370 119.914 0.199 0.000 2.295 543 V HA -0.294 3.814 4.120 -0.020 0.000 0.246 543 V C 2.491 178.665 176.094 0.133 0.000 1.049 543 V CA 1.840 64.216 62.300 0.127 0.000 1.024 543 V CB -0.502 31.358 31.823 0.062 0.000 0.648 543 V HN 0.426 nan 8.190 nan 0.000 0.447 544 L N -0.903 120.420 121.223 0.167 0.000 2.043 544 L HA -0.255 4.073 4.340 -0.020 0.000 0.212 544 L C 2.328 179.332 176.870 0.224 0.000 1.075 544 L CA 2.303 57.258 54.840 0.191 0.000 0.752 544 L CB -0.630 41.572 42.059 0.238 0.000 0.891 544 L HN 0.518 nan 8.230 nan 0.000 0.432 545 Y N -0.610 119.767 120.300 0.127 0.000 2.114 545 Y HA -0.280 4.258 4.550 -0.020 0.000 0.284 545 Y C 2.229 178.091 175.900 -0.063 0.000 1.143 545 Y CA 1.914 59.921 58.100 -0.155 0.000 1.135 545 Y CB -0.237 38.133 38.460 -0.148 0.000 0.980 545 Y HN 0.100 nan 8.280 nan 0.000 0.499 546 L N -0.030 121.172 121.223 -0.034 0.000 2.079 546 L HA -0.261 4.067 4.340 -0.020 0.000 0.210 546 L C 2.369 179.152 176.870 -0.145 0.000 1.081 546 L CA 1.498 56.260 54.840 -0.129 0.000 0.752 546 L CB -0.563 41.513 42.059 0.028 0.000 0.896 546 L HN 0.357 nan 8.230 nan 0.000 0.433 547 I N -0.216 120.308 120.570 -0.076 0.000 2.226 547 I HA -0.314 3.843 4.170 -0.020 0.000 0.245 547 I C 2.347 178.416 176.117 -0.080 0.000 1.100 547 I CA 1.511 62.778 61.300 -0.056 0.000 1.374 547 I CB -0.276 37.715 38.000 -0.016 0.000 1.057 547 I HN 0.159 nan 8.210 nan 0.000 0.413 548 I N -0.114 120.384 120.570 -0.120 0.000 2.226 548 I HA -0.235 3.923 4.170 -0.020 0.000 0.245 548 I C 2.495 178.515 176.117 -0.162 0.000 1.100 548 I CA 1.058 62.287 61.300 -0.119 0.000 1.374 548 I CB -0.490 37.429 38.000 -0.134 0.000 1.057 548 I HN 0.016 nan 8.210 nan 0.000 0.413 549 V N 0.493 120.227 119.914 -0.300 0.000 2.295 549 V HA -0.217 3.891 4.120 -0.020 0.000 0.246 549 V C 2.445 178.466 176.094 -0.121 0.000 1.049 549 V CA 1.649 63.784 62.300 -0.275 0.000 1.024 549 V CB -0.426 31.142 31.823 -0.425 0.000 0.648 549 V HN 0.258 nan 8.190 nan 0.000 0.447 550 V N 0.942 120.801 119.914 -0.091 0.000 2.515 550 V HA -0.116 3.991 4.120 -0.020 0.000 0.250 550 V C 2.608 178.723 176.094 0.035 0.000 1.058 550 V CA 1.900 64.188 62.300 -0.021 0.000 1.064 550 V CB -1.383 30.425 31.823 -0.026 0.000 0.675 550 V HN 0.603 nan 8.190 nan 0.000 0.461 551 G N -0.658 108.152 108.800 0.016 0.000 2.422 551 G HA2 -0.290 3.657 3.960 -0.020 0.000 0.218 551 G HA3 -0.290 3.657 3.960 -0.020 0.000 0.218 551 G C 1.610 176.585 174.900 0.125 0.000 1.146 551 G CA 1.062 46.205 45.100 0.071 0.000 0.769 551 G HN 0.418 nan 8.290 nan 0.000 0.547 552 M N 0.891 120.531 119.600 0.067 0.000 2.132 552 M HA 0.071 4.539 4.480 -0.020 0.000 0.263 552 M C 2.786 179.162 176.300 0.127 0.000 1.065 552 M CA 1.665 57.016 55.300 0.084 0.000 1.122 552 M CB -0.254 32.354 32.600 0.013 0.000 1.365 552 M HN 0.273 nan 8.290 nan 0.000 0.411 553 A N -0.207 122.669 122.820 0.093 0.000 1.883 553 A HA -0.261 4.046 4.320 -0.020 0.000 0.217 553 A C 1.985 179.685 177.584 0.193 0.000 1.186 553 A CA 1.837 53.945 52.037 0.118 0.000 0.624 553 A CB -1.440 17.601 19.000 0.068 0.000 0.822 553 A HN 0.738 nan 8.150 nan 0.000 0.444 554 Y N 0.298 120.640 120.300 0.070 0.000 2.145 554 Y HA -0.159 4.379 4.550 -0.020 0.000 0.286 554 Y C 1.963 177.910 175.900 0.077 0.000 1.145 554 Y CA 1.938 60.075 58.100 0.062 0.000 1.148 554 Y CB -0.360 38.120 38.460 0.034 0.000 0.981 554 Y HN 0.205 nan 8.280 nan 0.000 0.507 555 L N -1.209 120.057 121.223 0.072 0.000 2.141 555 L HA -0.190 4.138 4.340 -0.020 0.000 0.209 555 L C 2.263 179.138 176.870 0.007 0.000 1.094 555 L CA 1.246 56.080 54.840 -0.010 0.000 0.763 555 L CB -0.591 41.539 42.059 0.119 0.000 0.908 555 L HN 0.296 nan 8.230 nan 0.000 0.437 556 F N -0.168 119.763 119.950 -0.032 0.000 2.146 556 F HA -0.164 4.351 4.527 -0.021 0.000 0.298 556 F C 2.133 177.911 175.800 -0.037 0.000 1.096 556 F CA 1.376 59.374 58.000 -0.002 0.000 1.275 556 F CB -0.043 38.975 39.000 0.029 0.000 1.008 556 F HN -0.244 nan 8.300 nan 0.000 0.480 557 V N 0.424 120.333 119.914 -0.009 0.000 2.719 557 V HA -0.124 3.984 4.120 -0.020 0.000 0.252 557 V C 2.311 178.280 176.094 -0.208 0.000 1.065 557 V CA 1.182 63.421 62.300 -0.102 0.000 1.086 557 V CB -0.664 31.159 31.823 -0.001 0.000 0.700 557 V HN 0.202 nan 8.190 nan 0.000 0.467 558 R N -0.288 120.042 120.500 -0.284 0.000 2.236 558 R HA 0.186 4.514 4.340 -0.020 0.000 0.208 558 R C 0.758 176.923 176.300 -0.225 0.000 1.036 558 R CA 0.186 56.105 56.100 -0.301 0.000 1.001 558 R CB -0.246 29.774 30.300 -0.467 0.000 0.896 558 R HN 0.383 nan 8.270 nan 0.000 0.464 559 L N 4.050 125.128 121.223 -0.242 0.000 2.313 559 L HA 0.206 4.533 4.340 -0.020 0.000 0.282 559 L C -1.842 174.898 176.870 -0.216 0.000 1.092 559 L CA -1.717 52.986 54.840 -0.230 0.000 0.831 559 L CB 1.206 43.104 42.059 -0.267 0.000 1.159 559 L HN -0.096 nan 8.230 nan 0.000 0.442 560 P HA 0.084 nan 4.420 nan 0.000 0.270 560 P C -1.039 176.200 177.300 -0.103 0.000 1.223 560 P CA -0.359 62.673 63.100 -0.114 0.000 0.785 560 P CB 0.887 32.538 31.700 -0.081 0.000 0.923 561 S N 0.612 116.276 115.700 -0.060 0.000 2.442 561 S HA 0.481 4.939 4.470 -0.020 0.000 0.297 561 S C 0.033 174.650 174.600 0.028 0.000 1.131 561 S CA -0.378 57.812 58.200 -0.015 0.000 1.092 561 S CB 0.770 63.975 63.200 0.008 0.000 0.998 561 S HN 0.402 nan 8.310 nan 0.000 0.478 562 S N 1.147 116.880 115.700 0.055 0.000 2.751 562 S HA 0.658 5.116 4.470 -0.020 0.000 0.310 562 S C -0.147 174.562 174.600 0.182 0.000 1.128 562 S CA -0.574 57.688 58.200 0.102 0.000 0.931 562 S CB 1.014 64.260 63.200 0.076 0.000 1.177 562 S HN 0.654 nan 8.310 nan 0.000 0.530 563 F N 0.110 120.068 119.950 0.013 0.000 2.515 563 F HA 0.573 5.088 4.527 -0.021 0.000 0.267 563 F C -0.720 175.062 175.800 -0.029 0.000 0.923 563 F CA 0.270 58.259 58.000 -0.018 0.000 1.107 563 F CB 0.130 39.113 39.000 -0.029 0.000 1.175 563 F HN 0.301 nan 8.300 nan 0.000 0.742 564 L N 2.250 123.545 121.223 0.120 0.000 2.409 564 L HA 0.453 4.781 4.340 -0.020 0.000 0.272 564 L C -2.411 174.585 176.870 0.209 0.000 0.980 564 L CA -2.365 52.539 54.840 0.107 0.000 0.826 564 L CB 1.161 43.266 42.059 0.077 0.000 1.268 564 L HN 0.007 nan 8.230 nan 0.000 0.407 565 P HA 0.075 nan 4.420 nan 0.000 0.268 565 P C -0.657 176.759 177.300 0.193 0.000 1.204 565 P CA -0.321 62.889 63.100 0.185 0.000 0.768 565 P CB 0.684 32.477 31.700 0.154 0.000 0.842 566 D N 2.596 123.084 120.400 0.147 0.000 2.488 566 D HA 0.034 4.662 4.640 -0.020 0.000 0.238 566 D C 0.419 176.791 176.300 0.121 0.000 1.138 566 D CA 0.783 54.863 54.000 0.134 0.000 0.873 566 D CB 0.823 41.684 40.800 0.103 0.000 1.183 566 D HN 0.338 nan 8.370 nan 0.000 0.458 567 E N 1.188 121.449 120.200 0.101 0.000 2.212 567 E HA 0.107 4.445 4.350 -0.020 0.000 0.268 567 E C -0.473 176.095 176.600 -0.053 0.000 0.902 567 E CA -0.696 55.735 56.400 0.052 0.000 0.779 567 E CB 1.871 31.634 29.700 0.105 0.000 1.172 567 E HN 0.325 nan 8.360 nan 0.000 0.409 568 D N 2.121 122.529 120.400 0.012 0.000 2.363 568 D HA -0.026 4.602 4.640 -0.020 0.000 0.263 568 D C 0.090 176.398 176.300 0.014 0.000 1.258 568 D CA 0.478 54.531 54.000 0.088 0.000 0.907 568 D CB 0.594 41.534 40.800 0.233 0.000 1.107 568 D HN 0.315 nan 8.370 nan 0.000 0.495 569 Q N 2.165 121.916 119.800 -0.082 0.000 2.219 569 Q HA 0.211 4.539 4.340 -0.020 0.000 0.209 569 Q C 1.182 177.321 176.000 0.231 0.000 0.854 569 Q CA 0.107 55.757 55.803 -0.255 0.000 0.960 569 Q CB 0.894 29.351 28.738 -0.467 0.000 1.116 569 Q HN 0.767 nan 8.270 nan 0.000 0.500 570 G N 0.875 109.760 108.800 0.142 0.000 2.153 570 G HA2 -0.250 3.698 3.960 -0.020 0.000 0.252 570 G HA3 -0.250 3.698 3.960 -0.020 0.000 0.252 570 G C -0.120 174.697 174.900 -0.139 0.000 0.994 570 G CA 0.350 45.270 45.100 -0.300 0.000 0.698 570 G HN 0.256 nan 8.290 nan 0.000 0.521 571 V N -0.105 119.809 119.914 0.000 0.000 2.903 571 V HA 0.714 4.822 4.120 -0.020 0.000 0.289 571 V C -0.582 175.607 176.094 0.158 0.000 1.355 571 V CA -0.294 61.979 62.300 -0.045 0.000 0.953 571 V CB 1.905 33.576 31.823 -0.252 0.000 1.102 571 V HN 1.276 nan 8.190 nan 0.000 0.435 572 F N 3.476 123.464 119.950 0.063 0.000 2.741 572 F HA 0.905 5.420 4.527 -0.021 0.000 0.313 572 F C -0.991 174.847 175.800 0.063 0.000 1.153 572 F CA -1.260 56.768 58.000 0.046 0.000 0.931 572 F CB 1.886 40.858 39.000 -0.048 0.000 1.335 572 F HN 0.505 nan 8.300 nan 0.000 0.460 573 M N 1.227 120.830 119.600 0.005 0.000 2.644 573 M HA 0.743 5.211 4.480 -0.020 0.000 0.304 573 M C -1.409 174.839 176.300 -0.088 0.000 1.215 573 M CA -0.651 54.529 55.300 -0.201 0.000 0.871 573 M CB 2.140 34.529 32.600 -0.350 0.000 1.740 573 M HN 0.824 nan 8.290 nan 0.000 0.464 574 T N 2.821 117.403 114.554 0.045 0.000 2.879 574 T HA 0.684 5.021 4.350 -0.020 0.000 0.290 574 T C -0.762 174.081 174.700 0.239 0.000 0.993 574 T CA -0.857 61.423 62.100 0.299 0.000 0.975 574 T CB 0.985 70.131 68.868 0.463 0.000 0.981 574 T HN 0.837 nan 8.240 nan 0.000 0.439 575 M N 3.740 123.561 119.600 0.369 0.000 2.264 575 M HA 0.802 5.270 4.480 -0.020 0.000 0.352 575 M C -1.181 175.225 176.300 0.177 0.000 1.173 575 M CA -0.839 54.616 55.300 0.258 0.000 1.075 575 M CB 1.505 34.281 32.600 0.293 0.000 1.621 575 M HN 0.203 nan 8.290 nan 0.000 0.457 576 V N 2.380 122.355 119.914 0.102 0.000 2.448 576 V HA 0.522 4.630 4.120 -0.020 0.000 0.295 576 V C -0.740 175.388 176.094 0.057 0.000 1.025 576 V CA -0.401 61.929 62.300 0.050 0.000 0.859 576 V CB 1.443 33.262 31.823 -0.007 0.000 0.988 576 V HN 0.950 nan 8.190 nan 0.000 0.431 577 Q N 3.991 123.824 119.800 0.055 0.000 2.292 577 Q HA 0.682 5.010 4.340 -0.020 0.000 0.270 577 Q C -1.692 174.329 176.000 0.035 0.000 1.024 577 Q CA -0.240 55.595 55.803 0.054 0.000 0.768 577 Q CB 1.797 30.582 28.738 0.078 0.000 1.250 577 Q HN 0.766 nan 8.270 nan 0.000 0.447 578 L N 4.660 125.900 121.223 0.028 0.000 2.330 578 L HA 0.733 5.061 4.340 -0.020 0.000 0.271 578 L C -2.060 174.827 176.870 0.028 0.000 1.013 578 L CA -2.430 52.422 54.840 0.020 0.000 0.816 578 L CB 1.671 43.736 42.059 0.011 0.000 1.287 578 L HN 0.580 nan 8.230 nan 0.000 0.435 579 P HA 0.098 nan 4.420 nan 0.000 0.271 579 P C -0.527 176.795 177.300 0.036 0.000 1.220 579 P CA -0.273 62.847 63.100 0.033 0.000 0.768 579 P CB 0.916 32.633 31.700 0.028 0.000 0.848 580 A N 2.919 125.768 122.820 0.048 0.000 2.531 580 A HA 0.397 4.705 4.320 -0.020 0.000 0.236 580 A C 1.523 179.135 177.584 0.047 0.000 1.062 580 A CA 0.977 53.045 52.037 0.052 0.000 0.760 580 A CB -1.223 17.816 19.000 0.064 0.000 0.995 580 A HN 0.885 nan 8.150 nan 0.000 0.501 581 G N 0.458 109.285 108.800 0.046 0.000 2.259 581 G HA2 0.188 4.135 3.960 -0.020 0.000 0.217 581 G HA3 0.188 4.135 3.960 -0.020 0.000 0.217 581 G C 0.724 175.641 174.900 0.029 0.000 1.001 581 G CA 0.405 45.528 45.100 0.039 0.000 0.627 581 G HN 2.258 nan 8.290 nan 0.000 0.501 582 A N 0.853 123.688 122.820 0.025 0.000 2.507 582 A HA 0.569 4.877 4.320 -0.020 0.000 0.235 582 A C 0.983 178.580 177.584 0.022 0.000 1.070 582 A CA 1.675 53.722 52.037 0.018 0.000 0.768 582 A CB 0.009 19.019 19.000 0.017 0.000 1.011 582 A HN 1.812 nan 8.150 nan 0.000 0.502 583 T N -0.471 114.091 114.554 0.014 0.000 2.925 583 T HA 0.400 4.738 4.350 -0.020 0.000 0.285 583 T C 0.872 175.581 174.700 0.014 0.000 1.021 583 T CA -0.125 61.983 62.100 0.014 0.000 1.042 583 T CB 1.479 70.350 68.868 0.004 0.000 1.037 583 T HN 0.727 nan 8.240 nan 0.000 0.481 584 Q N 0.427 120.240 119.800 0.021 0.000 2.152 584 Q HA -0.245 4.083 4.340 -0.020 0.000 0.206 584 Q C 1.965 177.972 176.000 0.011 0.000 0.985 584 Q CA 2.017 57.835 55.803 0.025 0.000 0.863 584 Q CB -0.091 28.669 28.738 0.037 0.000 0.904 584 Q HN 0.904 nan 8.270 nan 0.000 0.422 585 E N -0.163 120.037 120.200 0.001 0.000 2.051 585 E HA -0.183 4.155 4.350 -0.020 0.000 0.192 585 E C 1.956 178.549 176.600 -0.012 0.000 0.991 585 E CA 1.021 57.416 56.400 -0.009 0.000 0.799 585 E CB 0.130 29.820 29.700 -0.018 0.000 0.748 585 E HN 0.356 nan 8.360 nan 0.000 0.449 586 R N -0.503 119.991 120.500 -0.011 0.000 2.236 586 R HA 0.013 4.340 4.340 -0.020 0.000 0.208 586 R C 2.151 178.442 176.300 -0.015 0.000 1.036 586 R CA 1.126 57.218 56.100 -0.015 0.000 1.001 586 R CB 0.040 30.332 30.300 -0.014 0.000 0.896 586 R HN 0.125 nan 8.270 nan 0.000 0.464 587 T N 0.898 115.447 114.554 -0.007 0.000 2.809 587 T HA -0.148 4.190 4.350 -0.020 0.000 0.260 587 T C 1.706 176.397 174.700 -0.016 0.000 1.039 587 T CA 1.045 63.140 62.100 -0.007 0.000 1.141 587 T CB -0.112 68.761 68.868 0.009 0.000 0.869 587 T HN 0.123 nan 8.240 nan 0.000 0.437 588 Q N 1.951 121.745 119.800 -0.011 0.000 2.133 588 Q HA -0.181 4.147 4.340 -0.020 0.000 0.208 588 Q C 2.143 178.127 176.000 -0.027 0.000 0.991 588 Q CA 1.879 57.672 55.803 -0.017 0.000 0.867 588 Q CB -0.308 28.422 28.738 -0.012 0.000 0.911 588 Q HN 0.526 nan 8.270 nan 0.000 0.417 589 K N -0.777 119.606 120.400 -0.028 0.000 2.020 589 K HA -0.184 4.124 4.320 -0.020 0.000 0.212 589 K C 1.770 178.343 176.600 -0.046 0.000 1.050 589 K CA 2.054 58.321 56.287 -0.034 0.000 0.929 589 K CB -0.264 32.217 32.500 -0.032 0.000 0.714 589 K HN 0.220 nan 8.250 nan 0.000 0.443 590 V N 1.621 121.503 119.914 -0.055 0.000 2.427 590 V HA -0.211 3.897 4.120 -0.020 0.000 0.248 590 V C 2.424 178.451 176.094 -0.111 0.000 1.051 590 V CA 1.449 63.696 62.300 -0.088 0.000 1.048 590 V CB -0.390 31.378 31.823 -0.093 0.000 0.666 590 V HN 0.312 nan 8.190 nan 0.000 0.456 591 L N 0.265 121.443 121.223 -0.075 0.000 2.141 591 L HA -0.110 4.218 4.340 -0.020 0.000 0.209 591 L C 2.462 179.311 176.870 -0.035 0.000 1.094 591 L CA 1.120 55.922 54.840 -0.063 0.000 0.763 591 L CB -0.494 41.540 42.059 -0.043 0.000 0.908 591 L HN 0.400 nan 8.230 nan 0.000 0.437 592 N N -0.056 118.628 118.700 -0.027 0.000 2.171 592 N HA -0.166 4.562 4.740 -0.020 0.000 0.184 592 N C 1.650 177.182 175.510 0.037 0.000 1.021 592 N CA 1.129 54.179 53.050 0.001 0.000 0.854 592 N CB -0.066 38.413 38.487 -0.013 0.000 0.994 592 N HN 0.418 nan 8.380 nan 0.000 0.426 593 E N 0.424 120.625 120.200 0.003 0.000 2.153 593 E HA -0.084 4.254 4.350 -0.020 0.000 0.194 593 E C 1.922 178.581 176.600 0.098 0.000 0.988 593 E CA 0.604 57.029 56.400 0.043 0.000 0.811 593 E CB 0.146 29.838 29.700 -0.012 0.000 0.746 593 E HN 0.079 nan 8.360 nan 0.000 0.466 594 V N 0.917 120.800 119.914 -0.052 0.000 2.283 594 V HA -0.225 3.883 4.120 -0.020 0.000 0.243 594 V C 2.273 178.515 176.094 0.247 0.000 1.039 594 V CA 2.110 64.360 62.300 -0.083 0.000 1.016 594 V CB -0.675 30.993 31.823 -0.259 0.000 0.650 594 V HN 0.317 nan 8.190 nan 0.000 0.449 595 T N -1.004 113.672 114.554 0.203 0.000 2.737 595 T HA -0.292 4.046 4.350 -0.020 0.000 0.269 595 T C 1.792 176.626 174.700 0.224 0.000 1.040 595 T CA 2.226 64.457 62.100 0.218 0.000 1.142 595 T CB -0.407 68.516 68.868 0.092 0.000 0.861 595 T HN 0.696 nan 8.240 nan 0.000 0.456 596 H N 0.146 119.291 119.070 0.125 0.000 2.253 596 H HA -0.146 4.398 4.556 -0.020 0.000 0.296 596 H C 2.069 177.481 175.328 0.139 0.000 1.074 596 H CA 2.059 58.171 56.048 0.107 0.000 1.263 596 H CB -0.715 29.100 29.762 0.088 0.000 1.363 596 H HN 0.432 nan 8.280 nan 0.000 0.489 597 Y N -0.050 120.295 120.300 0.075 0.000 2.102 597 Y HA -0.381 4.157 4.550 -0.021 0.000 0.280 597 Y C 1.815 177.664 175.900 -0.085 0.000 1.178 597 Y CA 2.152 60.229 58.100 -0.039 0.000 1.146 597 Y CB -0.806 37.677 38.460 0.038 0.000 0.968 597 Y HN 0.318 nan 8.280 nan 0.000 0.504 598 Y N -0.297 120.050 120.300 0.078 0.000 2.293 598 Y HA -0.111 4.427 4.550 -0.020 0.000 0.291 598 Y C 2.095 177.915 175.900 -0.133 0.000 1.137 598 Y CA 1.300 59.375 58.100 -0.041 0.000 1.202 598 Y CB -0.390 38.150 38.460 0.135 0.000 0.990 598 Y HN 0.174 nan 8.280 nan 0.000 0.537 599 L N -1.455 119.774 121.223 0.010 0.000 2.607 599 L HA 0.030 4.358 4.340 -0.020 0.000 0.228 599 L C 1.411 178.183 176.870 -0.164 0.000 1.123 599 L CA 0.443 55.242 54.840 -0.068 0.000 0.890 599 L CB -0.041 41.988 42.059 -0.051 0.000 1.103 599 L HN 0.160 nan 8.230 nan 0.000 0.468 600 T N -1.628 112.761 114.554 -0.275 0.000 3.391 600 T HA 0.022 4.360 4.350 -0.020 0.000 0.233 600 T C 1.691 176.241 174.700 -0.249 0.000 0.960 600 T CA 0.079 62.000 62.100 -0.297 0.000 1.342 600 T CB 0.220 68.796 68.868 -0.486 0.000 1.124 600 T HN 0.011 nan 8.240 nan 0.000 0.396 601 K N 0.916 121.104 120.400 -0.353 0.000 2.211 601 K HA 0.045 4.353 4.320 -0.020 0.000 0.203 601 K C 0.970 177.375 176.600 -0.325 0.000 1.050 601 K CA 0.933 57.008 56.287 -0.353 0.000 0.945 601 K CB 0.071 32.282 32.500 -0.483 0.000 0.732 601 K HN 0.129 nan 8.250 nan 0.000 0.451 602 E N 0.838 120.830 120.200 -0.346 0.000 2.542 602 E HA 0.027 4.365 4.350 -0.020 0.000 0.224 602 E C 0.714 177.270 176.600 -0.072 0.000 1.110 602 E CA -0.071 56.237 56.400 -0.153 0.000 1.350 602 E CB 0.259 29.936 29.700 -0.040 0.000 1.302 602 E HN -0.066 nan 8.360 nan 0.000 0.435 603 K N 0.621 120.966 120.400 -0.091 0.000 2.063 603 K HA -0.153 4.155 4.320 -0.020 0.000 0.208 603 K C 0.859 177.438 176.600 -0.037 0.000 1.048 603 K CA 1.217 57.466 56.287 -0.064 0.000 0.928 603 K CB 0.179 32.640 32.500 -0.066 0.000 0.713 603 K HN 0.276 nan 8.250 nan 0.000 0.442 604 N N 0.712 119.395 118.700 -0.028 0.000 2.135 604 N HA -0.093 4.634 4.740 -0.020 0.000 0.186 604 N C 1.595 177.100 175.510 -0.008 0.000 1.027 604 N CA 1.354 54.395 53.050 -0.015 0.000 0.849 604 N CB -0.630 37.852 38.487 -0.008 0.000 1.002 604 N HN 0.374 nan 8.380 nan 0.000 0.425 605 N N 0.070 118.774 118.700 0.007 0.000 2.250 605 N HA 0.009 4.737 4.740 -0.020 0.000 0.181 605 N C -0.058 175.463 175.510 0.018 0.000 1.017 605 N CA 0.200 53.264 53.050 0.024 0.000 0.866 605 N CB 0.387 38.911 38.487 0.062 0.000 0.985 605 N HN -0.080 nan 8.380 nan 0.000 0.429 606 V N 1.583 121.512 119.914 0.025 0.000 2.488 606 V HA 0.022 4.130 4.120 -0.020 0.000 0.277 606 V C 1.020 177.089 176.094 -0.041 0.000 1.046 606 V CA 0.236 62.531 62.300 -0.009 0.000 0.986 606 V CB 1.491 33.324 31.823 0.017 0.000 0.989 606 V HN 0.186 nan 8.190 nan 0.000 0.475 607 E N 3.753 123.915 120.200 -0.063 0.000 2.110 607 E HA 0.069 4.407 4.350 -0.020 0.000 0.193 607 E C 0.710 177.276 176.600 -0.056 0.000 0.950 607 E CA 0.935 57.307 56.400 -0.047 0.000 0.840 607 E CB 0.424 30.100 29.700 -0.039 0.000 0.809 607 E HN 0.802 nan 8.360 nan 0.000 0.465 608 S N -1.076 114.582 115.700 -0.069 0.000 2.564 608 S HA 0.682 5.139 4.470 -0.020 0.000 0.274 608 S C -1.137 173.385 174.600 -0.130 0.000 1.124 608 S CA -0.915 57.205 58.200 -0.133 0.000 0.869 608 S CB 2.049 65.281 63.200 0.054 0.000 1.105 608 S HN -0.043 nan 8.310 nan 0.000 0.472 609 V N 2.489 122.281 119.914 -0.203 0.000 2.409 609 V HA 0.471 4.579 4.120 -0.020 0.000 0.290 609 V C -1.391 174.715 176.094 0.021 0.000 1.017 609 V CA -0.459 61.791 62.300 -0.083 0.000 0.841 609 V CB 0.896 32.681 31.823 -0.062 0.000 1.003 609 V HN 0.894 nan 8.190 nan 0.000 0.426 610 F N 4.905 124.885 119.950 0.051 0.000 2.303 610 F HA 0.726 5.241 4.527 -0.020 0.000 0.368 610 F C 0.624 176.479 175.800 0.091 0.000 1.105 610 F CA -0.490 57.591 58.000 0.135 0.000 1.153 610 F CB 0.640 39.754 39.000 0.189 0.000 1.362 610 F HN 0.551 nan 8.300 nan 0.000 0.511 611 A N 5.679 128.397 122.820 -0.171 0.000 2.274 611 A HA 0.678 4.985 4.320 -0.020 0.000 0.309 611 A C -1.148 176.291 177.584 -0.242 0.000 1.226 611 A CA -0.543 51.417 52.037 -0.128 0.000 0.853 611 A CB 0.648 19.594 19.000 -0.090 0.000 1.146 611 A HN 0.484 nan 8.150 nan 0.000 0.518 612 V N 4.192 124.027 119.914 -0.132 0.000 2.378 612 V HA 0.296 4.404 4.120 -0.020 0.000 0.288 612 V C 0.177 176.268 176.094 -0.006 0.000 1.016 612 V CA -0.740 61.478 62.300 -0.135 0.000 0.840 612 V CB 1.361 33.058 31.823 -0.210 0.000 0.994 612 V HN 0.968 nan 8.190 nan 0.000 0.431 613 N N 3.396 122.100 118.700 0.007 0.000 2.419 613 N HA 0.524 5.252 4.740 -0.020 0.000 0.277 613 N C 0.900 176.472 175.510 0.104 0.000 1.006 613 N CA 0.615 53.693 53.050 0.046 0.000 0.923 613 N CB 1.553 40.049 38.487 0.016 0.000 1.140 613 N HN 0.926 nan 8.380 nan 0.000 0.488 614 G N 3.128 112.001 108.800 0.122 0.000 2.284 614 G HA2 -0.250 3.698 3.960 -0.020 0.000 0.216 614 G HA3 -0.250 3.698 3.960 -0.020 0.000 0.216 614 G C -0.237 174.788 174.900 0.207 0.000 1.009 614 G CA -0.281 44.907 45.100 0.146 0.000 0.625 614 G HN 0.580 nan 8.290 nan 0.000 0.501 615 F N 3.108 123.126 119.950 0.112 0.000 2.371 615 F HA 0.655 5.169 4.527 -0.021 0.000 0.363 615 F C 0.652 176.534 175.800 0.137 0.000 1.122 615 F CA 0.068 58.162 58.000 0.157 0.000 1.129 615 F CB 0.978 40.138 39.000 0.266 0.000 1.173 615 F HN 0.312 nan 8.300 nan 0.000 0.489 616 G N 4.413 113.016 108.800 -0.329 0.000 2.471 616 G HA2 0.231 4.179 3.960 -0.020 0.000 0.332 616 G HA3 0.231 4.179 3.960 -0.020 0.000 0.332 616 G C -0.243 174.358 174.900 -0.499 0.000 1.176 616 G CA -0.534 44.426 45.100 -0.233 0.000 0.949 616 G HN 0.673 nan 8.290 nan 0.000 0.488 617 F N 1.416 121.232 119.950 -0.223 0.000 2.206 617 F HA 0.073 4.587 4.527 -0.022 0.000 0.298 617 F C 2.770 178.489 175.800 -0.135 0.000 1.090 617 F CA 1.657 59.567 58.000 -0.149 0.000 1.323 617 F CB 0.116 39.138 39.000 0.036 0.000 1.028 617 F HN 0.425 nan 8.300 nan 0.000 0.492 618 A N -0.260 122.635 122.820 0.126 0.000 2.172 618 A HA 0.379 4.687 4.320 -0.020 0.000 0.216 618 A C 1.197 178.781 177.584 0.000 0.000 1.154 618 A CA 1.224 53.301 52.037 0.068 0.000 0.701 618 A CB -1.147 17.881 19.000 0.047 0.000 0.789 618 A HN 0.562 nan 8.150 nan 0.000 0.465 619 G N -1.972 106.770 108.800 -0.095 0.000 2.353 619 G HA2 0.338 4.286 3.960 -0.020 0.000 0.308 619 G HA3 0.338 4.286 3.960 -0.020 0.000 0.308 619 G C -0.945 173.867 174.900 -0.147 0.000 1.418 619 G CA -1.020 44.016 45.100 -0.107 0.000 0.966 619 G HN 0.354 nan 8.290 nan 0.000 0.638 620 R N -0.795 119.658 120.500 -0.078 0.000 2.531 620 R HA 0.726 5.054 4.340 -0.020 0.000 0.273 620 R C 0.658 176.975 176.300 0.028 0.000 1.070 620 R CA 0.950 57.044 56.100 -0.011 0.000 1.112 620 R CB 1.441 31.794 30.300 0.089 0.000 1.049 620 R HN 1.542 nan 8.270 nan 0.000 0.508 621 G N -0.052 108.778 108.800 0.050 0.000 2.411 621 G HA2 0.029 3.976 3.960 -0.020 0.000 0.295 621 G HA3 0.029 3.976 3.960 -0.020 0.000 0.295 621 G C -0.445 174.493 174.900 0.063 0.000 1.542 621 G CA -0.708 44.425 45.100 0.056 0.000 0.814 621 G HN 0.566 nan 8.290 nan 0.000 0.557 622 Q N -0.262 119.575 119.800 0.062 0.000 2.226 622 Q HA -0.130 4.198 4.340 -0.020 0.000 0.204 622 Q C 2.126 178.153 176.000 0.046 0.000 0.975 622 Q CA 1.654 57.492 55.803 0.057 0.000 0.866 622 Q CB 0.046 28.815 28.738 0.052 0.000 0.915 622 Q HN 0.626 nan 8.270 nan 0.000 0.440 623 N N -0.024 118.702 118.700 0.043 0.000 2.398 623 N HA -0.056 4.672 4.740 -0.020 0.000 0.188 623 N C -0.030 175.501 175.510 0.035 0.000 1.122 623 N CA 0.475 53.547 53.050 0.035 0.000 0.866 623 N CB -0.031 38.477 38.487 0.036 0.000 0.970 623 N HN 0.000 nan 8.380 nan 0.000 0.462 624 T N -2.975 111.603 114.554 0.040 0.000 2.952 624 T HA 0.818 5.155 4.350 -0.020 0.000 0.286 624 T C 0.260 174.991 174.700 0.052 0.000 1.024 624 T CA -0.601 61.523 62.100 0.040 0.000 1.029 624 T CB 1.989 70.871 68.868 0.023 0.000 1.094 624 T HN 0.267 nan 8.240 nan 0.000 0.515 625 G N 0.077 108.912 108.800 0.058 0.000 2.658 625 G HA2 0.518 4.465 3.960 -0.020 0.000 0.301 625 G HA3 0.518 4.465 3.960 -0.020 0.000 0.301 625 G C -1.963 172.976 174.900 0.064 0.000 1.481 625 G CA -0.714 44.424 45.100 0.064 0.000 0.931 625 G HN 0.875 nan 8.290 nan 0.000 0.573 626 I N 0.950 121.558 120.570 0.064 0.000 2.646 626 I HA 0.869 5.027 4.170 -0.020 0.000 0.299 626 I C -0.062 175.984 176.117 -0.118 0.000 1.036 626 I CA -0.782 60.510 61.300 -0.014 0.000 1.074 626 I CB 2.217 40.233 38.000 0.027 0.000 1.258 626 I HN 0.921 nan 8.210 nan 0.000 0.430 627 A N 6.190 128.887 122.820 -0.204 0.000 2.359 627 A HA 0.724 5.031 4.320 -0.020 0.000 0.303 627 A C -1.558 175.831 177.584 -0.325 0.000 1.066 627 A CA -0.333 51.612 52.037 -0.154 0.000 0.730 627 A CB 0.447 19.438 19.000 -0.015 0.000 1.211 627 A HN 0.485 nan 8.150 nan 0.000 0.439 628 F N 1.872 121.815 119.950 -0.012 0.000 2.410 628 F HA 0.516 5.031 4.527 -0.021 0.000 0.349 628 F C 0.190 175.934 175.800 -0.093 0.000 1.117 628 F CA -0.503 57.470 58.000 -0.044 0.000 1.104 628 F CB 1.987 40.962 39.000 -0.042 0.000 1.122 628 F HN 0.241 nan 8.300 nan 0.000 0.483 629 V N 2.820 122.637 119.914 -0.161 0.000 2.378 629 V HA 0.321 4.428 4.120 -0.020 0.000 0.288 629 V C -0.204 175.699 176.094 -0.319 0.000 1.016 629 V CA -0.645 61.372 62.300 -0.472 0.000 0.840 629 V CB 1.468 32.516 31.823 -1.292 0.000 0.994 629 V HN 0.770 nan 8.190 nan 0.000 0.431 630 S N 5.406 121.023 115.700 -0.140 0.000 2.525 630 S HA 0.694 5.152 4.470 -0.020 0.000 0.278 630 S C -0.189 174.330 174.600 -0.135 0.000 1.234 630 S CA -0.401 57.736 58.200 -0.105 0.000 1.058 630 S CB 0.738 63.931 63.200 -0.011 0.000 0.983 630 S HN 0.500 nan 8.310 nan 0.000 0.495 631 L N 2.806 123.946 121.223 -0.139 0.000 2.387 631 L HA 0.493 4.821 4.340 -0.020 0.000 0.266 631 L C 0.665 177.434 176.870 -0.170 0.000 1.059 631 L CA -0.961 53.808 54.840 -0.119 0.000 0.801 631 L CB 0.716 42.729 42.059 -0.077 0.000 1.223 631 L HN 0.455 nan 8.230 nan 0.000 0.456 632 K N 0.253 120.573 120.400 -0.135 0.000 2.187 632 K HA 0.065 4.372 4.320 -0.020 0.000 0.247 632 K C -0.713 175.725 176.600 -0.271 0.000 1.019 632 K CA -0.440 55.757 56.287 -0.149 0.000 0.893 632 K CB 0.354 32.806 32.500 -0.081 0.000 1.025 632 K HN 0.471 nan 8.250 nan 0.000 0.500 633 D N -0.330 119.913 120.400 -0.261 0.000 2.419 633 D HA -0.071 4.557 4.640 -0.020 0.000 0.236 633 D C 0.579 176.713 176.300 -0.277 0.000 1.165 633 D CA 0.254 54.016 54.000 -0.397 0.000 0.882 633 D CB 0.430 41.141 40.800 -0.149 0.000 1.201 633 D HN 0.316 nan 8.370 nan 0.000 0.443 634 W N 2.335 123.672 121.300 0.062 0.000 2.342 634 W HA -0.095 4.552 4.660 -0.021 0.000 0.297 634 W C 2.204 178.756 176.519 0.056 0.000 1.213 634 W CA 0.707 58.093 57.345 0.068 0.000 1.251 634 W CB -1.007 28.505 29.460 0.086 0.000 1.136 634 W HN 0.426 nan 8.180 nan 0.000 0.526 635 A N 0.639 123.635 122.820 0.293 0.000 1.972 635 A HA -0.173 4.134 4.320 -0.020 0.000 0.219 635 A C 1.623 179.272 177.584 0.109 0.000 1.169 635 A CA 1.883 54.027 52.037 0.178 0.000 0.635 635 A CB -0.691 18.400 19.000 0.153 0.000 0.810 635 A HN 0.277 nan 8.150 nan 0.000 0.446 636 D N -0.797 119.647 120.400 0.074 0.000 2.340 636 D HA 0.035 4.663 4.640 -0.020 0.000 0.220 636 D C 0.270 176.594 176.300 0.040 0.000 1.039 636 D CA 0.331 54.355 54.000 0.040 0.000 0.866 636 D CB 0.084 40.889 40.800 0.009 0.000 0.913 636 D HN 0.393 nan 8.370 nan 0.000 0.523 637 R N 1.463 122.002 120.500 0.065 0.000 2.664 637 R HA 0.180 4.508 4.340 -0.020 0.000 0.281 637 R C -1.792 174.565 176.300 0.095 0.000 1.383 637 R CA -1.118 55.025 56.100 0.071 0.000 1.563 637 R CB 1.301 31.643 30.300 0.070 0.000 1.131 637 R HN 0.001 nan 8.270 nan 0.000 0.599 638 P HA -0.006 nan 4.420 nan 0.000 0.226 638 P C 0.808 178.150 177.300 0.070 0.000 1.161 638 P CA 0.489 63.636 63.100 0.079 0.000 0.804 638 P CB 0.435 32.173 31.700 0.062 0.000 0.829 639 G N 0.408 109.244 108.800 0.059 0.000 2.651 639 G HA2 -0.002 3.946 3.960 -0.020 0.000 0.260 639 G HA3 -0.002 3.946 3.960 -0.020 0.000 0.260 639 G C 0.720 175.654 174.900 0.057 0.000 1.216 639 G CA -0.220 44.911 45.100 0.051 0.000 0.913 639 G HN -0.045 nan 8.290 nan 0.000 0.535 640 E N -0.244 119.985 120.200 0.048 0.000 2.371 640 E HA -0.086 4.252 4.350 -0.020 0.000 0.194 640 E C 2.194 178.820 176.600 0.043 0.000 1.012 640 E CA 0.533 56.961 56.400 0.047 0.000 0.860 640 E CB 0.275 29.999 29.700 0.039 0.000 0.811 640 E HN 0.745 nan 8.360 nan 0.000 0.502 641 E N -0.314 119.909 120.200 0.038 0.000 2.400 641 E HA -0.026 4.312 4.350 -0.020 0.000 0.195 641 E C 0.829 177.451 176.600 0.037 0.000 1.012 641 E CA 0.174 56.593 56.400 0.032 0.000 0.875 641 E CB -0.380 29.335 29.700 0.025 0.000 0.859 641 E HN 0.108 nan 8.360 nan 0.000 0.498 642 N N 1.333 120.061 118.700 0.046 0.000 2.434 642 N HA 0.030 4.758 4.740 -0.020 0.000 0.196 642 N C -0.141 175.410 175.510 0.068 0.000 1.183 642 N CA 0.304 53.386 53.050 0.053 0.000 0.849 642 N CB 0.390 38.910 38.487 0.054 0.000 0.992 642 N HN 0.195 nan 8.380 nan 0.000 0.460 643 K N 0.242 120.681 120.400 0.064 0.000 2.123 643 K HA 0.248 4.556 4.320 -0.020 0.000 0.248 643 K C 1.374 177.994 176.600 0.033 0.000 0.969 643 K CA -0.590 55.743 56.287 0.077 0.000 0.882 643 K CB 2.032 34.584 32.500 0.087 0.000 1.080 643 K HN -0.315 nan 8.250 nan 0.000 0.441 644 V N 1.067 120.999 119.914 0.031 0.000 2.250 644 V HA -0.273 3.835 4.120 -0.020 0.000 0.250 644 V C 2.278 178.302 176.094 -0.118 0.000 1.060 644 V CA 1.797 64.049 62.300 -0.079 0.000 1.030 644 V CB -0.448 31.363 31.823 -0.021 0.000 0.643 644 V HN 0.803 nan 8.190 nan 0.000 0.445 645 E N 0.017 120.198 120.200 -0.032 0.000 2.171 645 E HA -0.244 4.094 4.350 -0.020 0.000 0.197 645 E C 2.162 178.751 176.600 -0.019 0.000 0.997 645 E CA 1.765 58.156 56.400 -0.014 0.000 0.810 645 E CB -0.138 29.575 29.700 0.021 0.000 0.738 645 E HN 0.613 nan 8.360 nan 0.000 0.467 646 A N 0.051 122.862 122.820 -0.015 0.000 1.956 646 A HA 0.064 4.372 4.320 -0.020 0.000 0.212 646 A C 2.267 179.841 177.584 -0.017 0.000 1.188 646 A CA 0.239 52.272 52.037 -0.005 0.000 0.675 646 A CB -0.295 18.712 19.000 0.012 0.000 0.845 646 A HN 0.176 nan 8.150 nan 0.000 0.455 647 I N 0.880 121.424 120.570 -0.042 0.000 2.163 647 I HA -0.277 3.881 4.170 -0.020 0.000 0.243 647 I C 2.892 178.971 176.117 -0.063 0.000 1.085 647 I CA 2.010 63.291 61.300 -0.031 0.000 1.347 647 I CB -0.585 37.388 38.000 -0.044 0.000 1.044 647 I HN 0.527 nan 8.210 nan 0.000 0.408 648 T N -0.861 113.555 114.554 -0.229 0.000 2.737 648 T HA -0.238 4.100 4.350 -0.020 0.000 0.265 648 T C 1.924 176.623 174.700 -0.002 0.000 1.038 648 T CA 1.054 63.053 62.100 -0.168 0.000 1.144 648 T CB -0.474 68.254 68.868 -0.234 0.000 0.866 648 T HN 0.258 nan 8.240 nan 0.000 0.434 649 M N 2.234 121.831 119.600 -0.005 0.000 2.149 649 M HA -0.125 4.342 4.480 -0.020 0.000 0.261 649 M C 2.565 178.863 176.300 -0.003 0.000 1.064 649 M CA 2.057 57.368 55.300 0.019 0.000 1.102 649 M CB -0.410 32.200 32.600 0.017 0.000 1.369 649 M HN 0.501 nan 8.290 nan 0.000 0.408 650 R N -0.286 120.209 120.500 -0.008 0.000 2.173 650 R HA 0.148 4.476 4.340 -0.020 0.000 0.208 650 R C 1.957 178.200 176.300 -0.095 0.000 1.035 650 R CA 1.016 57.100 56.100 -0.027 0.000 1.004 650 R CB -0.666 29.641 30.300 0.011 0.000 0.917 650 R HN 0.292 nan 8.270 nan 0.000 0.462 651 A N 1.235 124.018 122.820 -0.061 0.000 1.898 651 A HA -0.079 4.229 4.320 -0.020 0.000 0.216 651 A C 2.083 179.356 177.584 -0.519 0.000 1.181 651 A CA 1.812 53.678 52.037 -0.286 0.000 0.620 651 A CB -0.925 18.170 19.000 0.158 0.000 0.819 651 A HN 0.453 nan 8.150 nan 0.000 0.442 652 T N -0.357 114.112 114.554 -0.141 0.000 2.746 652 T HA -0.183 4.155 4.350 -0.020 0.000 0.267 652 T C 2.007 176.591 174.700 -0.192 0.000 1.039 652 T CA 1.498 63.556 62.100 -0.071 0.000 1.142 652 T CB -0.309 68.584 68.868 0.041 0.000 0.866 652 T HN 0.635 nan 8.240 nan 0.000 0.444 653 R N 1.518 121.899 120.500 -0.197 0.000 2.096 653 R HA -0.126 4.202 4.340 -0.020 0.000 0.240 653 R C 2.492 178.639 176.300 -0.255 0.000 1.139 653 R CA 1.757 57.749 56.100 -0.181 0.000 0.952 653 R CB -0.561 29.661 30.300 -0.130 0.000 0.854 653 R HN 0.381 nan 8.270 nan 0.000 0.436 654 A N -0.422 122.118 122.820 -0.467 0.000 2.067 654 A HA -0.044 4.264 4.320 -0.020 0.000 0.219 654 A C 1.535 178.875 177.584 -0.407 0.000 1.158 654 A CA 0.882 52.591 52.037 -0.547 0.000 0.661 654 A CB -0.267 18.176 19.000 -0.929 0.000 0.801 654 A HN 0.414 nan 8.150 nan 0.000 0.452 655 F N -0.041 119.740 119.950 -0.282 0.000 2.582 655 F HA 0.038 4.553 4.527 -0.020 0.000 0.290 655 F C 2.718 178.400 175.800 -0.197 0.000 1.115 655 F CA 0.416 58.278 58.000 -0.229 0.000 1.445 655 F CB -0.787 38.080 39.000 -0.222 0.000 1.126 655 F HN 0.290 nan 8.300 nan 0.000 0.574 656 S N -0.197 115.470 115.700 -0.055 0.000 2.368 656 S HA -0.216 4.242 4.470 -0.020 0.000 0.224 656 S C 1.958 176.504 174.600 -0.089 0.000 1.029 656 S CA 1.325 59.445 58.200 -0.133 0.000 0.988 656 S CB -0.502 62.590 63.200 -0.181 0.000 0.838 656 S HN 0.363 nan 8.310 nan 0.000 0.462 657 Q N 2.364 122.119 119.800 -0.076 0.000 1.911 657 Q HA 0.161 4.489 4.340 -0.020 0.000 0.202 657 Q C 1.044 177.021 176.000 -0.038 0.000 0.976 657 Q CA 1.444 57.213 55.803 -0.057 0.000 0.845 657 Q CB -0.508 28.194 28.738 -0.060 0.000 0.903 657 Q HN 0.816 nan 8.270 nan 0.000 0.437 658 I N -0.546 120.007 120.570 -0.029 0.000 2.270 658 I HA 0.447 4.604 4.170 -0.020 0.000 0.294 658 I C -0.708 175.409 176.117 0.000 0.000 1.164 658 I CA -0.384 60.907 61.300 -0.013 0.000 1.680 658 I CB -0.130 37.864 38.000 -0.010 0.000 1.494 658 I HN -0.042 nan 8.210 nan 0.000 0.767 659 K N 3.018 123.411 120.400 -0.012 0.000 2.587 659 K HA 0.189 4.497 4.320 -0.020 0.000 0.276 659 K C 0.278 176.864 176.600 -0.024 0.000 0.956 659 K CA -0.459 55.818 56.287 -0.016 0.000 0.857 659 K CB 1.766 34.256 32.500 -0.017 0.000 1.431 659 K HN 0.452 nan 8.250 nan 0.000 0.420 660 D N 0.748 121.133 120.400 -0.024 0.000 2.077 660 D HA -0.069 4.559 4.640 -0.020 0.000 0.196 660 D C 0.004 176.291 176.300 -0.021 0.000 0.986 660 D CA 0.632 54.619 54.000 -0.021 0.000 0.829 660 D CB 0.162 40.950 40.800 -0.020 0.000 0.983 660 D HN 0.327 nan 8.370 nan 0.000 0.453 661 A N 0.527 123.333 122.820 -0.024 0.000 2.319 661 A HA 0.515 4.823 4.320 -0.020 0.000 0.310 661 A C 0.067 177.631 177.584 -0.034 0.000 1.152 661 A CA -0.664 51.361 52.037 -0.020 0.000 0.783 661 A CB 1.078 20.073 19.000 -0.007 0.000 1.184 661 A HN 0.122 nan 8.150 nan 0.000 0.474 662 M N 1.667 121.240 119.600 -0.045 0.000 2.252 662 M HA 0.195 4.662 4.480 -0.020 0.000 0.329 662 M C -0.583 175.658 176.300 -0.097 0.000 1.101 662 M CA 0.642 55.878 55.300 -0.105 0.000 1.117 662 M CB 0.509 33.007 32.600 -0.170 0.000 1.563 662 M HN 0.364 nan 8.290 nan 0.000 0.445 663 V N 4.127 123.954 119.914 -0.145 0.000 2.447 663 V HA 0.392 4.500 4.120 -0.020 0.000 0.292 663 V C -0.743 175.328 176.094 -0.038 0.000 1.021 663 V CA -0.627 61.642 62.300 -0.052 0.000 0.850 663 V CB 1.075 32.830 31.823 -0.114 0.000 1.005 663 V HN 0.558 nan 8.190 nan 0.000 0.426 664 F N 2.716 122.750 119.950 0.139 0.000 2.375 664 F HA 0.742 5.258 4.527 -0.020 0.000 0.333 664 F C 0.685 176.691 175.800 0.344 0.000 1.104 664 F CA -0.186 57.930 58.000 0.192 0.000 1.149 664 F CB 1.545 40.602 39.000 0.096 0.000 1.190 664 F HN 0.546 nan 8.300 nan 0.000 0.533 665 A N 4.032 127.204 122.820 0.587 0.000 2.353 665 A HA 0.759 5.067 4.320 -0.020 0.000 0.299 665 A C -1.479 176.418 177.584 0.522 0.000 1.089 665 A CA -0.448 51.940 52.037 0.584 0.000 0.736 665 A CB 0.403 19.735 19.000 0.552 0.000 1.195 665 A HN 0.646 nan 8.150 nan 0.000 0.447 666 F N 0.645 120.743 119.950 0.248 0.000 2.643 666 F HA 0.625 5.139 4.527 -0.021 0.000 0.314 666 F C -0.785 175.107 175.800 0.154 0.000 1.096 666 F CA -1.376 56.711 58.000 0.144 0.000 0.953 666 F CB 1.373 40.442 39.000 0.114 0.000 1.345 666 F HN 0.489 nan 8.300 nan 0.000 0.468 667 N N 2.348 121.120 118.700 0.121 0.000 2.430 667 N HA 0.484 5.212 4.740 -0.020 0.000 0.292 667 N C -0.809 174.800 175.510 0.164 0.000 1.051 667 N CA -0.769 52.318 53.050 0.063 0.000 0.917 667 N CB 1.346 39.866 38.487 0.056 0.000 1.164 667 N HN 0.880 nan 8.380 nan 0.000 0.484 668 L N 1.391 122.686 121.223 0.119 0.000 2.490 668 L HA 0.412 4.740 4.340 -0.020 0.000 0.274 668 L C -2.280 174.706 176.870 0.194 0.000 1.201 668 L CA -1.396 53.566 54.840 0.203 0.000 0.869 668 L CB -0.539 41.646 42.059 0.210 0.000 1.123 668 L HN 0.362 nan 8.230 nan 0.000 0.484 669 P HA 0.091 nan 4.420 nan 0.000 0.269 669 P C 0.374 177.781 177.300 0.179 0.000 1.209 669 P CA 0.110 63.308 63.100 0.163 0.000 0.776 669 P CB 1.202 32.980 31.700 0.130 0.000 0.876 670 A N 3.682 126.613 122.820 0.186 0.000 1.842 670 A HA -0.158 4.150 4.320 -0.020 0.000 0.217 670 A C 0.971 178.683 177.584 0.212 0.000 1.206 670 A CA 1.489 53.674 52.037 0.247 0.000 0.630 670 A CB -1.531 17.624 19.000 0.258 0.000 0.839 670 A HN 0.594 nan 8.150 nan 0.000 0.447 671 I N 1.504 122.133 120.570 0.098 0.000 2.352 671 I HA 0.138 4.296 4.170 -0.020 0.000 0.303 671 I C -0.238 175.934 176.117 0.092 0.000 1.194 671 I CA -0.255 61.062 61.300 0.028 0.000 1.518 671 I CB -0.484 37.523 38.000 0.012 0.000 1.489 671 I HN -0.002 nan 8.210 nan 0.000 0.702 672 V N 6.287 126.290 119.914 0.149 0.000 2.720 672 V HA -0.075 4.033 4.120 -0.020 0.000 0.307 672 V C 1.331 177.496 176.094 0.118 0.000 1.071 672 V CA -0.204 62.188 62.300 0.153 0.000 1.199 672 V CB -0.101 31.840 31.823 0.198 0.000 0.900 672 V HN 1.045 nan 8.190 nan 0.000 0.494 673 E N 4.092 124.351 120.200 0.098 0.000 2.228 673 E HA -0.279 4.059 4.350 -0.020 0.000 0.213 673 E C -0.683 175.962 176.600 0.075 0.000 1.282 673 E CA 0.819 57.269 56.400 0.082 0.000 0.707 673 E CB -1.319 28.439 29.700 0.098 0.000 1.150 673 E HN 0.722 nan 8.360 nan 0.000 0.362 674 L N -0.752 120.503 121.223 0.053 0.000 3.305 674 L HA 0.376 4.703 4.340 -0.020 0.000 0.215 674 L C -0.290 176.573 176.870 -0.012 0.000 1.032 674 L CA 0.395 55.252 54.840 0.029 0.000 1.264 674 L CB 0.385 42.459 42.059 0.024 0.000 1.536 674 L HN 0.728 nan 8.230 nan 0.000 0.685 675 G N 0.716 109.514 108.800 -0.003 0.000 2.957 675 G HA2 0.252 4.200 3.960 -0.020 0.000 0.636 675 G HA3 0.252 4.200 3.960 -0.020 0.000 0.636 675 G C -0.749 174.153 174.900 0.004 0.000 1.401 675 G CA -0.201 44.886 45.100 -0.021 0.000 0.941 675 G HN 0.534 nan 8.290 nan 0.000 0.610 676 T N 0.163 114.715 114.554 -0.003 0.000 2.876 676 T HA 0.871 5.209 4.350 -0.020 0.000 0.289 676 T C 1.656 176.359 174.700 0.006 0.000 1.014 676 T CA 0.476 62.576 62.100 0.000 0.000 0.986 676 T CB 1.891 70.739 68.868 -0.032 0.000 1.021 676 T HN 2.299 nan 8.240 nan 0.000 0.458 677 A N 3.072 125.905 122.820 0.022 0.000 1.879 677 A HA -0.111 4.197 4.320 -0.020 0.000 0.234 677 A C 1.472 179.067 177.584 0.018 0.000 1.742 677 A CA 2.548 54.602 52.037 0.029 0.000 0.775 677 A CB -1.788 17.229 19.000 0.027 0.000 0.849 677 A HN 1.896 nan 8.150 nan 0.000 0.487 678 T N -3.602 110.958 114.554 0.010 0.000 3.209 678 T HA 0.598 4.936 4.350 -0.020 0.000 0.366 678 T C -0.334 174.373 174.700 0.012 0.000 1.293 678 T CA 0.229 62.340 62.100 0.019 0.000 1.417 678 T CB 0.533 69.416 68.868 0.025 0.000 1.013 678 T HN 1.303 nan 8.240 nan 0.000 0.572 679 G N 2.138 110.939 108.800 0.003 0.000 2.620 679 G HA2 0.734 4.682 3.960 -0.020 0.000 0.301 679 G HA3 0.734 4.682 3.960 -0.020 0.000 0.301 679 G C -1.077 173.841 174.900 0.029 0.000 1.347 679 G CA -1.143 43.918 45.100 -0.064 0.000 0.971 679 G HN 0.637 nan 8.290 nan 0.000 0.488 680 F N -0.361 119.614 119.950 0.041 0.000 2.575 680 F HA 0.826 5.341 4.527 -0.021 0.000 0.330 680 F C -0.922 175.008 175.800 0.216 0.000 1.056 680 F CA -1.717 56.349 58.000 0.109 0.000 0.964 680 F CB 2.450 41.522 39.000 0.120 0.000 1.258 680 F HN 0.294 nan 8.300 nan 0.000 0.484 681 D N 1.815 122.577 120.400 0.602 0.000 2.375 681 D HA 0.224 4.852 4.640 -0.020 0.000 0.259 681 D C -1.867 174.752 176.300 0.532 0.000 1.235 681 D CA -0.152 54.097 54.000 0.416 0.000 0.924 681 D CB 0.796 41.722 40.800 0.211 0.000 1.143 681 D HN 0.504 nan 8.370 nan 0.000 0.529 682 F N 1.998 122.114 119.950 0.277 0.000 2.399 682 F HA 0.495 5.010 4.527 -0.019 0.000 0.334 682 F C -0.151 175.514 175.800 -0.225 0.000 1.097 682 F CA -0.620 57.289 58.000 -0.151 0.000 1.076 682 F CB 1.454 40.356 39.000 -0.163 0.000 1.162 682 F HN 0.071 nan 8.300 nan 0.000 0.495 683 E N 4.890 124.503 120.200 -0.979 0.000 2.216 683 E HA 0.375 4.713 4.350 -0.020 0.000 0.260 683 E C -1.870 174.277 176.600 -0.756 0.000 0.880 683 E CA -0.666 55.302 56.400 -0.719 0.000 0.765 683 E CB 1.287 30.424 29.700 -0.939 0.000 1.174 683 E HN 0.618 nan 8.360 nan 0.000 0.417 684 L N 5.391 126.433 121.223 -0.303 0.000 2.326 684 L HA 0.538 4.866 4.340 -0.020 0.000 0.278 684 L C -0.993 175.819 176.870 -0.096 0.000 1.092 684 L CA -0.005 54.766 54.840 -0.116 0.000 0.810 684 L CB 0.669 42.780 42.059 0.086 0.000 1.153 684 L HN 0.640 nan 8.230 nan 0.000 0.439 685 I N 3.497 124.026 120.570 -0.068 0.000 2.499 685 I HA 0.217 4.375 4.170 -0.020 0.000 0.288 685 I C -1.051 175.065 176.117 -0.003 0.000 1.048 685 I CA -0.823 60.454 61.300 -0.038 0.000 1.062 685 I CB 2.041 40.004 38.000 -0.062 0.000 1.238 685 I HN 0.495 nan 8.210 nan 0.000 0.426 686 D N 5.480 125.889 120.400 0.014 0.000 2.374 686 D HA 0.125 4.753 4.640 -0.020 0.000 0.240 686 D C 0.222 176.532 176.300 0.016 0.000 1.229 686 D CA 0.319 54.330 54.000 0.019 0.000 0.895 686 D CB 0.978 41.796 40.800 0.030 0.000 1.046 686 D HN 0.425 nan 8.370 nan 0.000 0.498 687 Q N 2.207 122.014 119.800 0.011 0.000 2.198 687 Q HA 0.375 4.703 4.340 -0.020 0.000 0.209 687 Q C 0.381 176.386 176.000 0.009 0.000 0.848 687 Q CA -0.111 55.696 55.803 0.007 0.000 0.974 687 Q CB 0.942 29.679 28.738 -0.002 0.000 1.115 687 Q HN 0.527 nan 8.270 nan 0.000 0.494 688 A N -0.971 121.856 122.820 0.012 0.000 2.635 688 A HA 0.510 4.818 4.320 -0.020 0.000 0.279 688 A C 0.937 178.530 177.584 0.014 0.000 1.122 688 A CA 0.174 52.218 52.037 0.012 0.000 0.965 688 A CB 0.252 19.258 19.000 0.011 0.000 1.221 688 A HN 0.232 nan 8.150 nan 0.000 0.566 689 G N 0.092 108.902 108.800 0.017 0.000 2.225 689 G HA2 -0.259 3.689 3.960 -0.020 0.000 0.264 689 G HA3 -0.259 3.689 3.960 -0.020 0.000 0.264 689 G C 0.691 175.604 174.900 0.022 0.000 1.060 689 G CA 0.541 45.654 45.100 0.020 0.000 0.833 689 G HN 0.519 nan 8.290 nan 0.000 0.498 690 L N -0.275 120.961 121.223 0.022 0.000 2.109 690 L HA 0.396 4.723 4.340 -0.020 0.000 0.207 690 L C 1.889 178.776 176.870 0.027 0.000 1.086 690 L CA 1.341 56.193 54.840 0.020 0.000 0.760 690 L CB -0.500 41.568 42.059 0.014 0.000 0.910 690 L HN 1.391 nan 8.230 nan 0.000 0.437 691 G N -1.783 107.041 108.800 0.040 0.000 2.462 691 G HA2 -0.246 3.701 3.960 -0.020 0.000 0.685 691 G HA3 -0.246 3.701 3.960 -0.020 0.000 0.685 691 G C -0.083 174.872 174.900 0.091 0.000 1.295 691 G CA 0.033 45.172 45.100 0.065 0.000 0.941 691 G HN 0.182 nan 8.290 nan 0.000 0.554 692 H N 0.086 119.166 119.070 0.018 0.000 2.357 692 H HA 0.079 4.623 4.556 -0.020 0.000 0.301 692 H C 2.408 177.745 175.328 0.014 0.000 1.082 692 H CA 2.706 58.766 56.048 0.020 0.000 1.342 692 H CB 0.142 29.920 29.762 0.026 0.000 1.389 692 H HN 0.604 nan 8.280 nan 0.000 0.511 693 E N 0.061 120.229 120.200 -0.054 0.000 2.107 693 E HA -0.096 4.242 4.350 -0.020 0.000 0.191 693 E C 2.096 178.635 176.600 -0.101 0.000 0.982 693 E CA 0.622 56.949 56.400 -0.122 0.000 0.809 693 E CB 0.135 29.818 29.700 -0.028 0.000 0.756 693 E HN 0.450 nan 8.360 nan 0.000 0.459 694 K N 0.800 121.169 120.400 -0.050 0.000 2.057 694 K HA -0.062 4.246 4.320 -0.020 0.000 0.206 694 K C 2.238 178.810 176.600 -0.046 0.000 1.050 694 K CA 0.611 56.876 56.287 -0.037 0.000 0.935 694 K CB -0.067 32.427 32.500 -0.011 0.000 0.715 694 K HN 0.105 nan 8.250 nan 0.000 0.439 695 L N 0.895 122.088 121.223 -0.051 0.000 2.046 695 L HA -0.213 4.115 4.340 -0.020 0.000 0.208 695 L C 2.160 178.982 176.870 -0.080 0.000 1.077 695 L CA 1.396 56.210 54.840 -0.044 0.000 0.747 695 L CB -0.398 41.651 42.059 -0.018 0.000 0.896 695 L HN 0.262 nan 8.230 nan 0.000 0.432 696 T N -1.065 113.391 114.554 -0.163 0.000 2.720 696 T HA -0.283 4.055 4.350 -0.020 0.000 0.268 696 T C 1.787 176.426 174.700 -0.101 0.000 1.037 696 T CA 1.374 63.373 62.100 -0.169 0.000 1.144 696 T CB -0.139 68.563 68.868 -0.276 0.000 0.864 696 T HN 0.374 nan 8.240 nan 0.000 0.444 697 Q N 0.061 119.808 119.800 -0.089 0.000 2.124 697 Q HA -0.086 4.242 4.340 -0.020 0.000 0.202 697 Q C 2.560 178.534 176.000 -0.043 0.000 0.977 697 Q CA 1.436 57.202 55.803 -0.061 0.000 0.850 697 Q CB -0.226 28.481 28.738 -0.052 0.000 0.901 697 Q HN 0.567 nan 8.270 nan 0.000 0.429 698 A N 0.783 123.582 122.820 -0.035 0.000 1.969 698 A HA -0.180 4.128 4.320 -0.020 0.000 0.218 698 A C 2.010 179.584 177.584 -0.015 0.000 1.169 698 A CA 1.292 53.318 52.037 -0.018 0.000 0.635 698 A CB -0.451 18.547 19.000 -0.004 0.000 0.810 698 A HN 0.299 nan 8.150 nan 0.000 0.445 699 R N -0.092 120.396 120.500 -0.020 0.000 2.062 699 R HA -0.148 4.180 4.340 -0.020 0.000 0.231 699 R C 1.607 177.892 176.300 -0.025 0.000 1.136 699 R CA 1.831 57.924 56.100 -0.012 0.000 0.948 699 R CB -0.328 29.965 30.300 -0.012 0.000 0.845 699 R HN 0.474 nan 8.270 nan 0.000 0.430 700 N N 0.678 119.358 118.700 -0.034 0.000 2.289 700 N HA -0.197 4.531 4.740 -0.020 0.000 0.184 700 N C 1.535 177.024 175.510 -0.035 0.000 1.016 700 N CA 1.078 54.107 53.050 -0.035 0.000 0.872 700 N CB -0.194 38.268 38.487 -0.042 0.000 0.973 700 N HN 0.424 nan 8.380 nan 0.000 0.433 701 Q N 0.317 120.096 119.800 -0.034 0.000 2.083 701 Q HA -0.006 4.322 4.340 -0.020 0.000 0.198 701 Q C 2.047 178.023 176.000 -0.040 0.000 0.969 701 Q CA 0.646 56.428 55.803 -0.034 0.000 0.838 701 Q CB -0.043 28.678 28.738 -0.029 0.000 0.900 701 Q HN 0.368 nan 8.270 nan 0.000 0.436 702 L N 0.453 121.647 121.223 -0.049 0.000 1.994 702 L HA -0.213 4.115 4.340 -0.020 0.000 0.208 702 L C 2.260 179.086 176.870 -0.074 0.000 1.071 702 L CA 1.153 55.945 54.840 -0.081 0.000 0.745 702 L CB -0.219 41.777 42.059 -0.106 0.000 0.892 702 L HN 0.336 nan 8.230 nan 0.000 0.431 703 L N -0.518 120.673 121.223 -0.053 0.000 2.079 703 L HA -0.218 4.110 4.340 -0.020 0.000 0.210 703 L C 2.824 179.676 176.870 -0.029 0.000 1.081 703 L CA 1.078 55.897 54.840 -0.036 0.000 0.752 703 L CB -0.935 41.111 42.059 -0.023 0.000 0.896 703 L HN 0.356 nan 8.230 nan 0.000 0.433 704 A N -0.012 122.788 122.820 -0.033 0.000 1.851 704 A HA -0.212 4.096 4.320 -0.020 0.000 0.216 704 A C 2.232 179.792 177.584 -0.041 0.000 1.195 704 A CA 1.633 53.649 52.037 -0.036 0.000 0.622 704 A CB -0.463 18.515 19.000 -0.037 0.000 0.831 704 A HN 0.362 nan 8.150 nan 0.000 0.444 705 E N -0.158 120.021 120.200 -0.035 0.000 2.118 705 E HA -0.176 4.161 4.350 -0.020 0.000 0.195 705 E C 2.253 178.873 176.600 0.034 0.000 0.992 705 E CA 1.291 57.680 56.400 -0.018 0.000 0.804 705 E CB -0.542 29.163 29.700 0.008 0.000 0.741 705 E HN 0.599 nan 8.360 nan 0.000 0.458 706 A N 1.096 123.931 122.820 0.026 0.000 2.015 706 A HA 0.044 4.352 4.320 -0.020 0.000 0.219 706 A C 2.320 179.932 177.584 0.046 0.000 1.163 706 A CA 1.465 53.536 52.037 0.057 0.000 0.646 706 A CB -0.245 18.760 19.000 0.009 0.000 0.806 706 A HN 0.244 nan 8.150 nan 0.000 0.448 707 A N -0.155 122.665 122.820 -0.001 0.000 2.016 707 A HA -0.007 4.301 4.320 -0.020 0.000 0.217 707 A C 1.915 179.464 177.584 -0.057 0.000 1.162 707 A CA 1.378 53.406 52.037 -0.016 0.000 0.662 707 A CB -0.262 18.724 19.000 -0.023 0.000 0.812 707 A HN 0.472 nan 8.150 nan 0.000 0.450 708 K N -0.149 120.173 120.400 -0.130 0.000 2.504 708 K HA -0.015 4.293 4.320 -0.020 0.000 0.195 708 K C -0.284 176.048 176.600 -0.446 0.000 1.036 708 K CA 0.547 56.669 56.287 -0.275 0.000 0.984 708 K CB 0.010 32.303 32.500 -0.344 0.000 0.788 708 K HN 0.539 nan 8.250 nan 0.000 0.488 709 H N -0.447 118.611 119.070 -0.020 0.000 2.340 709 H HA 0.149 4.693 4.556 -0.020 0.000 0.233 709 H C -2.230 173.094 175.328 -0.007 0.000 1.435 709 H CA -1.989 54.049 56.048 -0.017 0.000 1.389 709 H CB 1.012 30.758 29.762 -0.026 0.000 1.491 709 H HN 0.024 nan 8.280 nan 0.000 0.518 710 P HA -0.105 nan 4.420 nan 0.000 0.219 710 P C 1.163 178.493 177.300 0.050 0.000 1.150 710 P CA 0.938 64.064 63.100 0.044 0.000 0.814 710 P CB 0.317 32.027 31.700 0.016 0.000 0.787 711 D N -2.153 118.279 120.400 0.054 0.000 2.323 711 D HA 0.020 4.647 4.640 -0.020 0.000 0.239 711 D C 1.229 177.554 176.300 0.042 0.000 1.129 711 D CA 0.301 54.326 54.000 0.042 0.000 0.865 711 D CB -0.112 40.709 40.800 0.036 0.000 0.913 711 D HN 0.133 nan 8.370 nan 0.000 0.517 712 M N -0.671 118.962 119.600 0.055 0.000 2.069 712 M HA 0.202 4.670 4.480 -0.020 0.000 0.208 712 M C -1.084 175.253 176.300 0.061 0.000 1.459 712 M CA 0.350 55.671 55.300 0.035 0.000 0.992 712 M CB 0.743 33.342 32.600 -0.002 0.000 1.566 712 M HN -0.194 nan 8.290 nan 0.000 0.571 713 L N 1.077 122.353 121.223 0.087 0.000 2.334 713 L HA 0.658 4.986 4.340 -0.020 0.000 0.273 713 L C -0.678 176.251 176.870 0.099 0.000 1.013 713 L CA -0.179 54.740 54.840 0.132 0.000 0.816 713 L CB 1.033 43.182 42.059 0.151 0.000 1.278 713 L HN 0.199 nan 8.230 nan 0.000 0.431 714 T N -0.632 113.977 114.554 0.093 0.000 2.886 714 T HA 0.416 4.753 4.350 -0.020 0.000 0.292 714 T C 0.238 174.943 174.700 0.008 0.000 1.012 714 T CA -0.613 61.512 62.100 0.042 0.000 0.982 714 T CB 1.506 70.389 68.868 0.025 0.000 1.018 714 T HN 0.538 nan 8.240 nan 0.000 0.451 715 S N 0.453 116.155 115.700 0.003 0.000 3.682 715 S HA -0.141 4.317 4.470 -0.020 0.000 0.354 715 S C 0.519 175.091 174.600 -0.046 0.000 1.034 715 S CA 0.469 58.656 58.200 -0.022 0.000 1.084 715 S CB -2.013 61.160 63.200 -0.045 0.000 0.903 715 S HN 1.107 nan 8.310 nan 0.000 0.470 716 V N 0.554 120.468 119.914 -0.001 0.000 2.403 716 V HA 0.496 4.604 4.120 -0.020 0.000 0.265 716 V C 0.655 176.747 176.094 -0.002 0.000 1.034 716 V CA -0.281 62.028 62.300 0.015 0.000 1.036 716 V CB -0.112 31.759 31.823 0.081 0.000 1.032 716 V HN 0.589 nan 8.190 nan 0.000 0.478 717 R N 4.471 124.959 120.500 -0.021 0.000 2.795 717 R HA 0.727 5.054 4.340 -0.020 0.000 0.275 717 R C -3.184 173.115 176.300 -0.002 0.000 0.981 717 R CA -2.110 53.982 56.100 -0.013 0.000 0.917 717 R CB 2.263 32.548 30.300 -0.026 0.000 1.202 717 R HN 0.411 nan 8.270 nan 0.000 0.469 718 P HA 0.067 nan 4.420 nan 0.000 0.276 718 P C -0.651 176.654 177.300 0.009 0.000 1.230 718 P CA -0.228 62.883 63.100 0.019 0.000 0.776 718 P CB 0.940 32.654 31.700 0.025 0.000 0.888 719 N N 1.616 120.322 118.700 0.010 0.000 2.422 719 N HA 0.031 4.759 4.740 -0.020 0.000 0.181 719 N C 1.028 176.548 175.510 0.015 0.000 1.080 719 N CA 0.351 53.399 53.050 -0.003 0.000 0.893 719 N CB -0.056 38.426 38.487 -0.009 0.000 0.973 719 N HN 0.506 nan 8.380 nan 0.000 0.456 720 G N -0.479 108.340 108.800 0.032 0.000 2.543 720 G HA2 0.478 4.425 3.960 -0.020 0.000 0.267 720 G HA3 0.478 4.425 3.960 -0.020 0.000 0.267 720 G C -0.967 173.964 174.900 0.052 0.000 1.406 720 G CA -0.412 44.715 45.100 0.046 0.000 1.048 720 G HN 0.103 nan 8.290 nan 0.000 0.548 721 L N -0.404 120.858 121.223 0.066 0.000 2.334 721 L HA 0.507 4.835 4.340 -0.020 0.000 0.275 721 L C 0.155 177.081 176.870 0.094 0.000 1.036 721 L CA -0.961 53.923 54.840 0.073 0.000 0.807 721 L CB 1.561 43.661 42.059 0.069 0.000 1.231 721 L HN 0.495 nan 8.230 nan 0.000 0.438 722 E N 0.654 120.909 120.200 0.091 0.000 2.343 722 E HA 0.184 4.522 4.350 -0.020 0.000 0.269 722 E C -0.958 175.732 176.600 0.151 0.000 1.047 722 E CA -0.310 56.153 56.400 0.105 0.000 0.874 722 E CB 0.583 30.333 29.700 0.084 0.000 1.033 722 E HN 0.411 nan 8.360 nan 0.000 0.409 723 D N 0.930 121.443 120.400 0.188 0.000 2.449 723 D HA 0.142 4.770 4.640 -0.020 0.000 0.236 723 D C -0.484 176.042 176.300 0.375 0.000 1.149 723 D CA 0.805 54.975 54.000 0.285 0.000 0.878 723 D CB 0.549 41.522 40.800 0.287 0.000 1.198 723 D HN 0.411 nan 8.370 nan 0.000 0.446 724 T N -1.279 113.476 114.554 0.334 0.000 2.900 724 T HA 0.615 4.952 4.350 -0.020 0.000 0.303 724 T C -2.945 171.722 174.700 -0.055 0.000 1.142 724 T CA -2.255 59.941 62.100 0.159 0.000 1.007 724 T CB 1.872 70.805 68.868 0.108 0.000 1.156 724 T HN -0.081 nan 8.240 nan 0.000 0.490 725 P HA 0.326 nan 4.420 nan 0.000 0.271 725 P C -0.836 176.599 177.300 0.226 0.000 1.220 725 P CA -0.169 62.830 63.100 -0.168 0.000 0.768 725 P CB 0.289 31.856 31.700 -0.221 0.000 0.848 726 Q N 1.464 121.402 119.800 0.230 0.000 2.387 726 Q HA 0.531 4.859 4.340 -0.020 0.000 0.273 726 Q C -1.114 174.828 176.000 -0.097 0.000 1.089 726 Q CA -0.729 55.149 55.803 0.125 0.000 0.824 726 Q CB 1.643 30.394 28.738 0.022 0.000 1.367 726 Q HN 0.316 nan 8.270 nan 0.000 0.443 727 F N 2.010 121.594 119.950 -0.610 0.000 2.375 727 F HA 0.304 4.818 4.527 -0.021 0.000 0.362 727 F C -0.163 175.320 175.800 -0.528 0.000 1.129 727 F CA -0.694 56.722 58.000 -0.973 0.000 1.154 727 F CB 0.524 38.822 39.000 -1.171 0.000 1.205 727 F HN 0.280 nan 8.300 nan 0.000 0.513 728 K N 6.480 126.396 120.400 -0.806 0.000 2.297 728 K HA 0.460 4.768 4.320 -0.020 0.000 0.286 728 K C -1.074 175.091 176.600 -0.725 0.000 1.053 728 K CA -0.006 55.941 56.287 -0.565 0.000 0.940 728 K CB 0.340 32.620 32.500 -0.367 0.000 1.019 728 K HN 0.664 nan 8.250 nan 0.000 0.475 729 I N 3.926 124.224 120.570 -0.454 0.000 2.382 729 I HA 0.158 4.316 4.170 -0.020 0.000 0.285 729 I C -0.448 175.569 176.117 -0.168 0.000 1.007 729 I CA -0.735 60.367 61.300 -0.331 0.000 1.142 729 I CB 1.480 39.339 38.000 -0.235 0.000 1.289 729 I HN 0.585 nan 8.210 nan 0.000 0.453 730 D N 7.485 127.800 120.400 -0.141 0.000 2.313 730 D HA 0.250 4.878 4.640 -0.020 0.000 0.239 730 D C -0.402 175.900 176.300 0.003 0.000 1.142 730 D CA -0.341 53.617 54.000 -0.070 0.000 0.847 730 D CB 1.376 42.130 40.800 -0.077 0.000 1.082 730 D HN 0.184 nan 8.370 nan 0.000 0.480 731 I N 3.398 123.986 120.570 0.031 0.000 2.312 731 I HA 0.062 4.220 4.170 -0.020 0.000 0.291 731 I C 0.598 176.747 176.117 0.053 0.000 1.031 731 I CA -0.540 60.813 61.300 0.088 0.000 1.293 731 I CB 0.825 38.863 38.000 0.063 0.000 1.403 731 I HN 0.251 nan 8.210 nan 0.000 0.484 732 D N 6.664 127.118 120.400 0.090 0.000 2.344 732 D HA 0.031 4.659 4.640 -0.020 0.000 0.253 732 D C 1.109 177.420 176.300 0.018 0.000 1.255 732 D CA 0.037 54.068 54.000 0.052 0.000 0.894 732 D CB 1.073 41.913 40.800 0.067 0.000 1.067 732 D HN 0.398 nan 8.370 nan 0.000 0.492 733 Q N 2.655 122.449 119.800 -0.010 0.000 2.172 733 Q HA -0.114 4.214 4.340 -0.020 0.000 0.200 733 Q C 1.388 177.368 176.000 -0.033 0.000 0.964 733 Q CA 0.888 56.668 55.803 -0.038 0.000 0.855 733 Q CB 0.332 29.050 28.738 -0.033 0.000 0.918 733 Q HN 0.660 nan 8.270 nan 0.000 0.444 734 E N 0.763 120.956 120.200 -0.013 0.000 2.047 734 E HA -0.145 4.193 4.350 -0.020 0.000 0.191 734 E C 1.931 178.529 176.600 -0.003 0.000 0.987 734 E CA 0.855 57.251 56.400 -0.008 0.000 0.799 734 E CB 0.069 29.770 29.700 0.000 0.000 0.752 734 E HN 0.279 nan 8.360 nan 0.000 0.449 735 K N 0.379 120.788 120.400 0.016 0.000 2.103 735 K HA -0.017 4.291 4.320 -0.020 0.000 0.204 735 K C 2.151 178.770 176.600 0.033 0.000 1.052 735 K CA 0.809 57.121 56.287 0.042 0.000 0.945 735 K CB -0.009 32.540 32.500 0.081 0.000 0.722 735 K HN 0.007 nan 8.250 nan 0.000 0.443 736 A N 1.536 124.340 122.820 -0.027 0.000 1.898 736 A HA -0.212 4.096 4.320 -0.020 0.000 0.216 736 A C 2.069 179.583 177.584 -0.116 0.000 1.181 736 A CA 1.250 53.192 52.037 -0.158 0.000 0.620 736 A CB -0.440 18.329 19.000 -0.386 0.000 0.819 736 A HN 0.259 nan 8.150 nan 0.000 0.442 737 Q N -0.620 119.129 119.800 -0.084 0.000 2.061 737 Q HA -0.162 4.166 4.340 -0.020 0.000 0.204 737 Q C 2.370 178.350 176.000 -0.034 0.000 0.984 737 Q CA 1.644 57.412 55.803 -0.059 0.000 0.846 737 Q CB -0.415 28.296 28.738 -0.045 0.000 0.902 737 Q HN 0.690 nan 8.270 nan 0.000 0.421 738 A N 0.271 123.080 122.820 -0.017 0.000 2.019 738 A HA -0.131 4.177 4.320 -0.020 0.000 0.219 738 A C 1.820 179.407 177.584 0.006 0.000 1.164 738 A CA 1.088 53.124 52.037 -0.001 0.000 0.644 738 A CB -0.348 18.657 19.000 0.009 0.000 0.805 738 A HN 0.319 nan 8.150 nan 0.000 0.449 739 L N -1.437 119.790 121.223 0.007 0.000 2.592 739 L HA 0.230 4.558 4.340 -0.020 0.000 0.227 739 L C 1.596 178.466 176.870 -0.000 0.000 1.127 739 L CA 0.540 55.393 54.840 0.021 0.000 0.884 739 L CB 0.047 42.143 42.059 0.062 0.000 1.065 739 L HN 0.546 nan 8.230 nan 0.000 0.457 740 G N 0.285 109.071 108.800 -0.025 0.000 2.143 740 G HA2 -0.245 3.703 3.960 -0.020 0.000 0.248 740 G HA3 -0.245 3.703 3.960 -0.020 0.000 0.248 740 G C 0.167 175.034 174.900 -0.056 0.000 0.991 740 G CA 0.116 45.197 45.100 -0.031 0.000 0.689 740 G HN 0.110 nan 8.290 nan 0.000 0.522 741 V N 1.213 121.065 119.914 -0.104 0.000 2.432 741 V HA 0.544 4.651 4.120 -0.020 0.000 0.271 741 V C 1.286 177.269 176.094 -0.185 0.000 1.046 741 V CA 0.241 62.439 62.300 -0.171 0.000 0.945 741 V CB 1.419 33.035 31.823 -0.344 0.000 0.992 741 V HN 0.668 nan 8.190 nan 0.000 0.471 742 S N 3.994 119.612 115.700 -0.136 0.000 2.546 742 S HA 0.123 4.581 4.470 -0.020 0.000 0.290 742 S C 1.069 175.567 174.600 -0.169 0.000 1.290 742 S CA -0.408 57.722 58.200 -0.117 0.000 1.069 742 S CB 0.172 63.331 63.200 -0.069 0.000 0.846 742 S HN 0.456 nan 8.310 nan 0.000 0.495 743 I N 5.026 125.509 120.570 -0.146 0.000 2.252 743 I HA -0.117 4.041 4.170 -0.020 0.000 0.245 743 I C 2.302 178.355 176.117 -0.107 0.000 1.102 743 I CA 0.986 62.192 61.300 -0.156 0.000 1.385 743 I CB -0.504 37.429 38.000 -0.112 0.000 1.064 743 I HN 0.623 nan 8.210 nan 0.000 0.414 744 N N 0.911 119.572 118.700 -0.065 0.000 2.104 744 N HA -0.203 4.524 4.740 -0.020 0.000 0.190 744 N C 1.440 176.938 175.510 -0.020 0.000 1.024 744 N CA 1.672 54.705 53.050 -0.030 0.000 0.853 744 N CB -0.472 38.006 38.487 -0.016 0.000 1.008 744 N HN 0.378 nan 8.380 nan 0.000 0.424 745 D N 1.208 121.585 120.400 -0.038 0.000 2.123 745 D HA -0.070 4.558 4.640 -0.020 0.000 0.196 745 D C 2.145 178.443 176.300 -0.003 0.000 0.992 745 D CA 0.523 54.516 54.000 -0.012 0.000 0.833 745 D CB -0.355 40.430 40.800 -0.025 0.000 0.954 745 D HN 0.289 nan 8.370 nan 0.000 0.455 746 I N 0.979 121.487 120.570 -0.104 0.000 2.127 746 I HA -0.298 3.860 4.170 -0.020 0.000 0.241 746 I C 2.036 178.210 176.117 0.095 0.000 1.075 746 I CA 1.003 62.232 61.300 -0.119 0.000 1.334 746 I CB -0.304 37.498 38.000 -0.329 0.000 1.040 746 I HN -0.006 nan 8.210 nan 0.000 0.405 747 N N 0.288 119.015 118.700 0.045 0.000 2.120 747 N HA -0.161 4.567 4.740 -0.020 0.000 0.188 747 N C 1.983 177.548 175.510 0.092 0.000 1.024 747 N CA 2.169 55.263 53.050 0.074 0.000 0.852 747 N CB -0.662 37.846 38.487 0.035 0.000 1.003 747 N HN 0.478 nan 8.380 nan 0.000 0.424 748 T N -1.401 113.202 114.554 0.081 0.000 3.088 748 T HA -0.011 4.326 4.350 -0.020 0.000 0.259 748 T C 1.897 176.659 174.700 0.104 0.000 1.122 748 T CA 1.375 63.526 62.100 0.085 0.000 1.095 748 T CB -0.334 68.574 68.868 0.066 0.000 0.930 748 T HN 0.310 nan 8.240 nan 0.000 0.508 749 T N 1.036 115.681 114.554 0.152 0.000 2.770 749 T HA 0.034 4.372 4.350 -0.020 0.000 0.258 749 T C 1.850 176.606 174.700 0.093 0.000 1.039 749 T CA 1.006 63.218 62.100 0.186 0.000 1.143 749 T CB -0.831 68.247 68.868 0.350 0.000 0.866 749 T HN 0.290 nan 8.240 nan 0.000 0.428 750 L N 2.243 123.588 121.223 0.203 0.000 2.042 750 L HA 0.191 4.519 4.340 -0.020 0.000 0.210 750 L C 2.602 179.506 176.870 0.058 0.000 1.076 750 L CA 2.267 57.135 54.840 0.047 0.000 0.749 750 L CB -1.191 40.922 42.059 0.089 0.000 0.893 750 L HN 0.379 nan 8.230 nan 0.000 0.432 751 G N -0.993 107.850 108.800 0.072 0.000 2.434 751 G HA2 -0.237 3.711 3.960 -0.020 0.000 0.214 751 G HA3 -0.237 3.711 3.960 -0.020 0.000 0.214 751 G C 1.619 176.571 174.900 0.086 0.000 1.202 751 G CA 0.932 46.079 45.100 0.079 0.000 0.788 751 G HN 0.653 nan 8.290 nan 0.000 0.539 752 A N 1.136 123.997 122.820 0.068 0.000 1.917 752 A HA 0.120 4.428 4.320 -0.020 0.000 0.219 752 A C 2.807 180.397 177.584 0.010 0.000 1.182 752 A CA 2.729 54.803 52.037 0.061 0.000 0.633 752 A CB -0.870 18.167 19.000 0.060 0.000 0.819 752 A HN 0.882 nan 8.150 nan 0.000 0.448 753 A N -1.976 120.768 122.820 -0.126 0.000 1.873 753 A HA -0.057 4.251 4.320 -0.020 0.000 0.215 753 A C 1.867 179.286 177.584 -0.276 0.000 1.186 753 A CA 1.411 53.221 52.037 -0.379 0.000 0.616 753 A CB -0.685 17.581 19.000 -1.223 0.000 0.823 753 A HN 0.732 nan 8.150 nan 0.000 0.442 754 W N -1.419 119.749 121.300 -0.220 0.000 2.996 754 W HA 0.348 4.995 4.660 -0.021 0.000 0.270 754 W C 2.083 178.583 176.519 -0.031 0.000 1.280 754 W CA 0.551 57.824 57.345 -0.120 0.000 1.549 754 W CB 0.122 29.483 29.460 -0.166 0.000 1.079 754 W HN 0.354 nan 8.180 nan 0.000 0.629 755 G N -0.828 108.081 108.800 0.182 0.000 2.944 755 G HA2 0.436 4.384 3.960 -0.020 0.000 0.223 755 G HA3 0.436 4.384 3.960 -0.020 0.000 0.223 755 G C 0.663 175.657 174.900 0.157 0.000 1.071 755 G CA 0.240 45.431 45.100 0.151 0.000 0.806 755 G HN 0.330 nan 8.290 nan 0.000 0.538 756 G N -0.284 108.607 108.800 0.151 0.000 2.755 756 G HA2 0.315 4.263 3.960 -0.020 0.000 0.686 756 G HA3 0.315 4.263 3.960 -0.020 0.000 0.686 756 G C -0.177 174.873 174.900 0.250 0.000 1.427 756 G CA 0.133 45.349 45.100 0.193 0.000 0.873 756 G HN 1.695 nan 8.290 nan 0.000 0.580 757 S N -0.296 115.571 115.700 0.279 0.000 2.536 757 S HA 0.600 5.058 4.470 -0.020 0.000 0.271 757 S C -0.882 173.778 174.600 0.100 0.000 1.134 757 S CA -0.640 57.696 58.200 0.226 0.000 0.897 757 S CB 2.057 65.331 63.200 0.123 0.000 1.094 757 S HN 1.959 nan 8.310 nan 0.000 0.473 758 Y N 4.173 124.314 120.300 -0.266 0.000 2.452 758 Y HA 0.523 5.061 4.550 -0.020 0.000 0.348 758 Y C 0.441 176.159 175.900 -0.303 0.000 0.985 758 Y CA -0.681 56.999 58.100 -0.701 0.000 1.214 758 Y CB 0.243 38.272 38.460 -0.719 0.000 1.136 758 Y HN 0.554 nan 8.280 nan 0.000 0.523 759 V N 4.704 124.351 119.914 -0.445 0.000 2.391 759 V HA 0.089 4.196 4.120 -0.020 0.000 0.237 759 V C 0.271 176.072 176.094 -0.487 0.000 1.046 759 V CA 0.809 62.892 62.300 -0.360 0.000 1.053 759 V CB -0.433 31.297 31.823 -0.154 0.000 0.704 759 V HN 0.600 nan 8.190 nan 0.000 0.475 760 N N -0.818 117.668 118.700 -0.356 0.000 2.509 760 N HA 0.448 5.176 4.740 -0.020 0.000 0.280 760 N C -1.423 174.078 175.510 -0.014 0.000 1.306 760 N CA -0.671 52.266 53.050 -0.188 0.000 0.782 760 N CB 1.226 39.715 38.487 0.003 0.000 1.493 760 N HN 0.097 nan 8.380 nan 0.000 0.498 761 D N 0.083 120.544 120.400 0.101 0.000 2.225 761 D HA 0.442 5.069 4.640 -0.020 0.000 0.249 761 D C -0.493 176.015 176.300 0.346 0.000 1.052 761 D CA -0.075 54.078 54.000 0.255 0.000 0.909 761 D CB 0.912 41.817 40.800 0.174 0.000 1.186 761 D HN 0.407 nan 8.370 nan 0.000 0.431 762 F N -0.739 119.298 119.950 0.145 0.000 2.764 762 F HA 0.710 5.225 4.527 -0.020 0.000 0.347 762 F C -1.247 174.628 175.800 0.125 0.000 1.151 762 F CA -1.134 56.973 58.000 0.179 0.000 1.021 762 F CB 0.972 40.171 39.000 0.331 0.000 1.438 762 F HN 0.084 nan 8.300 nan 0.000 0.516 763 I N 1.311 121.701 120.570 -0.300 0.000 2.418 763 I HA 0.289 4.447 4.170 -0.020 0.000 0.287 763 I C -1.658 174.150 176.117 -0.516 0.000 1.008 763 I CA -0.303 60.752 61.300 -0.407 0.000 1.104 763 I CB 1.700 39.634 38.000 -0.110 0.000 1.264 763 I HN 0.566 nan 8.210 nan 0.000 0.438 764 D N 5.917 125.967 120.400 -0.584 0.000 2.425 764 D HA 0.404 5.031 4.640 -0.020 0.000 0.240 764 D C -0.120 176.122 176.300 -0.097 0.000 1.080 764 D CA -0.408 53.441 54.000 -0.251 0.000 0.836 764 D CB 0.793 41.464 40.800 -0.214 0.000 1.125 764 D HN 0.386 nan 8.370 nan 0.000 0.525 765 R N 3.214 123.706 120.500 -0.013 0.000 3.322 765 R HA -0.199 4.129 4.340 -0.020 0.000 0.253 765 R C 1.024 177.309 176.300 -0.026 0.000 0.987 765 R CA 0.747 56.851 56.100 0.005 0.000 0.666 765 R CB -1.664 28.658 30.300 0.038 0.000 1.072 765 R HN 0.923 nan 8.270 nan 0.000 0.447 766 G N -0.370 108.403 108.800 -0.044 0.000 2.184 766 G HA2 -0.401 3.547 3.960 -0.020 0.000 0.264 766 G HA3 -0.401 3.547 3.960 -0.020 0.000 0.264 766 G C 0.107 174.962 174.900 -0.074 0.000 0.975 766 G CA 0.544 45.614 45.100 -0.050 0.000 0.642 766 G HN 0.519 nan 8.290 nan 0.000 0.536 767 R N 0.063 120.499 120.500 -0.107 0.000 2.387 767 R HA 0.599 4.927 4.340 -0.020 0.000 0.314 767 R C 0.198 176.390 176.300 -0.181 0.000 0.958 767 R CA -0.561 55.467 56.100 -0.120 0.000 0.846 767 R CB 1.636 31.873 30.300 -0.105 0.000 1.147 767 R HN 0.333 nan 8.270 nan 0.000 0.447 768 V N 5.167 125.003 119.914 -0.130 0.000 2.540 768 V HA 0.150 4.258 4.120 -0.020 0.000 0.297 768 V C -0.563 175.460 176.094 -0.119 0.000 1.024 768 V CA 0.906 63.132 62.300 -0.123 0.000 1.105 768 V CB 0.372 32.169 31.823 -0.043 0.000 0.938 768 V HN 0.830 nan 8.190 nan 0.000 0.482 769 K N 4.948 125.250 120.400 -0.163 0.000 2.469 769 K HA 0.570 4.877 4.320 -0.020 0.000 0.268 769 K C -1.041 175.714 176.600 0.258 0.000 1.027 769 K CA -1.068 55.208 56.287 -0.019 0.000 0.893 769 K CB 1.957 34.399 32.500 -0.097 0.000 1.460 769 K HN 0.545 nan 8.250 nan 0.000 0.449 770 K N 0.952 121.554 120.400 0.337 0.000 2.118 770 K HA 0.369 4.677 4.320 -0.020 0.000 0.264 770 K C -0.582 176.264 176.600 0.410 0.000 1.000 770 K CA -0.623 55.901 56.287 0.395 0.000 0.929 770 K CB 1.291 33.852 32.500 0.102 0.000 1.021 770 K HN 0.163 nan 8.250 nan 0.000 0.463 771 V N 2.813 122.888 119.914 0.269 0.000 2.417 771 V HA 0.302 4.409 4.120 -0.020 0.000 0.291 771 V C -1.099 174.956 176.094 -0.065 0.000 1.024 771 V CA -0.823 61.458 62.300 -0.032 0.000 0.861 771 V CB 0.570 32.341 31.823 -0.087 0.000 0.985 771 V HN 0.577 nan 8.190 nan 0.000 0.436 772 Y N 2.467 122.708 120.300 -0.098 0.000 2.409 772 Y HA 0.660 5.197 4.550 -0.021 0.000 0.343 772 Y C -0.147 175.641 175.900 -0.186 0.000 0.973 772 Y CA -0.751 57.303 58.100 -0.075 0.000 1.064 772 Y CB 2.426 40.831 38.460 -0.090 0.000 1.207 772 Y HN 0.368 nan 8.280 nan 0.000 0.452 773 V N 5.609 125.562 119.914 0.065 0.000 2.378 773 V HA 0.509 4.616 4.120 -0.020 0.000 0.288 773 V C -0.477 175.649 176.094 0.054 0.000 1.016 773 V CA -0.556 61.746 62.300 0.004 0.000 0.840 773 V CB 1.316 33.151 31.823 0.021 0.000 0.994 773 V HN 0.823 nan 8.190 nan 0.000 0.431 774 M N 3.473 123.078 119.600 0.009 0.000 2.531 774 M HA 0.558 5.026 4.480 -0.020 0.000 0.286 774 M C -0.003 176.442 176.300 0.241 0.000 1.232 774 M CA -0.271 55.099 55.300 0.116 0.000 0.877 774 M CB 2.429 35.119 32.600 0.149 0.000 1.726 774 M HN 0.614 nan 8.290 nan 0.000 0.463 775 S N 1.479 117.301 115.700 0.204 0.000 2.573 775 S HA 0.070 4.528 4.470 -0.020 0.000 0.277 775 S C -0.189 174.655 174.600 0.407 0.000 1.346 775 S CA -0.080 58.309 58.200 0.315 0.000 1.034 775 S CB 0.455 63.757 63.200 0.169 0.000 0.879 775 S HN 0.773 nan 8.310 nan 0.000 0.528 776 E N 1.825 122.281 120.200 0.426 0.000 2.398 776 E HA 0.342 4.679 4.350 -0.020 0.000 0.263 776 E C 1.315 177.922 176.600 0.011 0.000 1.046 776 E CA 0.196 56.736 56.400 0.234 0.000 0.908 776 E CB 0.697 30.587 29.700 0.318 0.000 0.963 776 E HN 0.760 nan 8.360 nan 0.000 0.431 777 A N 5.049 127.702 122.820 -0.279 0.000 1.869 777 A HA -0.314 3.994 4.320 -0.020 0.000 0.218 777 A C 1.828 179.239 177.584 -0.287 0.000 1.203 777 A CA 2.514 54.366 52.037 -0.309 0.000 0.638 777 A CB -0.756 18.010 19.000 -0.391 0.000 0.831 777 A HN 0.817 nan 8.150 nan 0.000 0.450 778 K N -1.526 118.634 120.400 -0.399 0.000 2.442 778 K HA -0.145 4.163 4.320 -0.020 0.000 0.199 778 K C 0.691 176.945 176.600 -0.576 0.000 1.044 778 K CA 1.655 57.628 56.287 -0.524 0.000 0.941 778 K CB -0.442 31.670 32.500 -0.646 0.000 0.759 778 K HN 0.635 nan 8.250 nan 0.000 0.472 779 Y N 1.556 121.780 120.300 -0.126 0.000 2.571 779 Y HA 0.244 4.781 4.550 -0.020 0.000 0.275 779 Y C 0.293 176.026 175.900 -0.278 0.000 1.179 779 Y CA -0.772 57.274 58.100 -0.091 0.000 1.242 779 Y CB 0.500 38.952 38.460 -0.012 0.000 1.126 779 Y HN 0.117 nan 8.280 nan 0.000 0.524 780 R N -1.525 118.734 120.500 -0.402 0.000 2.579 780 R HA 0.317 4.645 4.340 -0.020 0.000 0.386 780 R C -0.188 175.895 176.300 -0.362 0.000 1.065 780 R CA -0.019 55.472 56.100 -1.014 0.000 1.143 780 R CB -0.292 29.346 30.300 -1.103 0.000 1.357 780 R HN 0.112 nan 8.270 nan 0.000 0.644 781 M N 0.117 119.644 119.600 -0.123 0.000 2.393 781 M HA 0.370 4.838 4.480 -0.020 0.000 0.270 781 M C -0.030 176.318 176.300 0.080 0.000 1.127 781 M CA 0.357 55.651 55.300 -0.010 0.000 1.104 781 M CB 0.343 32.899 32.600 -0.074 0.000 1.523 781 M HN 0.216 nan 8.290 nan 0.000 0.546 782 L N -0.515 120.784 121.223 0.128 0.000 2.393 782 L HA 0.353 4.681 4.340 -0.020 0.000 0.260 782 L C -1.710 175.223 176.870 0.105 0.000 1.002 782 L CA -1.695 53.202 54.840 0.095 0.000 0.818 782 L CB 2.411 44.496 42.059 0.045 0.000 1.369 782 L HN -0.201 nan 8.230 nan 0.000 0.412 783 P HA -0.145 nan 4.420 nan 0.000 0.219 783 P C 0.401 177.594 177.300 -0.179 0.000 1.146 783 P CA 1.152 63.939 63.100 -0.522 0.000 0.808 783 P CB 0.163 31.294 31.700 -0.949 0.000 0.779 784 D N -0.745 119.645 120.400 -0.016 0.000 2.269 784 D HA -0.113 4.515 4.640 -0.020 0.000 0.208 784 D C 1.080 177.465 176.300 0.141 0.000 0.963 784 D CA 0.807 54.839 54.000 0.054 0.000 0.864 784 D CB -0.511 40.319 40.800 0.048 0.000 0.936 784 D HN 0.220 nan 8.370 nan 0.000 0.505 785 D N 1.046 121.594 120.400 0.247 0.000 2.309 785 D HA -0.097 4.531 4.640 -0.020 0.000 0.212 785 D C 2.109 178.763 176.300 0.590 0.000 0.968 785 D CA 0.089 54.311 54.000 0.369 0.000 0.882 785 D CB 0.039 41.053 40.800 0.355 0.000 0.918 785 D HN 0.220 nan 8.370 nan 0.000 0.503 786 I N 0.966 121.833 120.570 0.494 0.000 2.335 786 I HA -0.173 3.985 4.170 -0.020 0.000 0.251 786 I C 2.414 178.646 176.117 0.191 0.000 1.129 786 I CA 1.072 62.536 61.300 0.273 0.000 1.402 786 I CB -1.354 36.592 38.000 -0.090 0.000 1.069 786 I HN 0.004 nan 8.210 nan 0.000 0.424 787 G N 0.273 109.153 108.800 0.133 0.000 2.559 787 G HA2 -0.175 3.773 3.960 -0.020 0.000 0.216 787 G HA3 -0.175 3.773 3.960 -0.020 0.000 0.216 787 G C 1.088 176.004 174.900 0.027 0.000 1.126 787 G CA 0.321 45.450 45.100 0.048 0.000 0.778 787 G HN 0.367 nan 8.290 nan 0.000 0.543 788 D N -0.647 119.784 120.400 0.051 0.000 2.348 788 D HA 0.035 4.662 4.640 -0.020 0.000 0.211 788 D C 0.048 176.230 176.300 -0.197 0.000 0.998 788 D CA 0.034 53.976 54.000 -0.096 0.000 0.873 788 D CB 0.169 40.798 40.800 -0.284 0.000 0.925 788 D HN 0.402 nan 8.370 nan 0.000 0.524 789 W N 0.509 121.880 121.300 0.117 0.000 2.390 789 W HA 0.396 5.044 4.660 -0.020 0.000 0.312 789 W C -0.427 176.230 176.519 0.230 0.000 1.123 789 W CA -0.727 56.758 57.345 0.233 0.000 1.202 789 W CB 0.606 30.168 29.460 0.170 0.000 1.251 789 W HN -0.224 nan 8.180 nan 0.000 0.511 790 Y N 2.022 122.625 120.300 0.504 0.000 2.361 790 Y HA 0.501 5.039 4.550 -0.020 0.000 0.337 790 Y C -0.124 175.985 175.900 0.349 0.000 0.965 790 Y CA -1.272 57.044 58.100 0.361 0.000 1.091 790 Y CB 1.493 40.062 38.460 0.182 0.000 1.182 790 Y HN -0.028 nan 8.280 nan 0.000 0.450 791 V N 4.369 124.516 119.914 0.389 0.000 2.439 791 V HA 0.400 4.507 4.120 -0.020 0.000 0.282 791 V C 0.015 176.227 176.094 0.197 0.000 1.039 791 V CA -1.000 61.445 62.300 0.242 0.000 0.913 791 V CB 1.371 33.234 31.823 0.067 0.000 0.983 791 V HN 0.674 nan 8.190 nan 0.000 0.460 792 R N 3.173 123.763 120.500 0.150 0.000 2.298 792 R HA 0.610 4.937 4.340 -0.020 0.000 0.310 792 R C 0.131 176.469 176.300 0.062 0.000 1.068 792 R CA -0.134 56.034 56.100 0.113 0.000 0.957 792 R CB 0.845 31.204 30.300 0.099 0.000 1.003 792 R HN 0.897 nan 8.270 nan 0.000 0.454 793 A N 3.216 126.071 122.820 0.058 0.000 2.271 793 A HA 0.447 4.755 4.320 -0.020 0.000 0.288 793 A C 1.100 178.696 177.584 0.019 0.000 1.094 793 A CA 0.140 52.192 52.037 0.025 0.000 0.828 793 A CB 0.785 19.806 19.000 0.035 0.000 1.091 793 A HN 0.975 nan 8.150 nan 0.000 0.493 794 A N 0.450 123.272 122.820 0.004 0.000 2.032 794 A HA -0.163 4.145 4.320 -0.020 0.000 0.221 794 A C 1.368 178.958 177.584 0.011 0.000 1.165 794 A CA 2.104 54.144 52.037 0.004 0.000 0.645 794 A CB -0.608 18.388 19.000 -0.005 0.000 0.807 794 A HN 0.877 nan 8.150 nan 0.000 0.453 795 D N -2.506 117.903 120.400 0.015 0.000 2.340 795 D HA 0.270 4.898 4.640 -0.020 0.000 0.220 795 D C 1.180 177.494 176.300 0.023 0.000 1.039 795 D CA 1.067 55.078 54.000 0.017 0.000 0.866 795 D CB -0.379 40.432 40.800 0.017 0.000 0.913 795 D HN 0.773 nan 8.370 nan 0.000 0.523 796 G N 0.225 109.042 108.800 0.028 0.000 2.238 796 G HA2 -0.242 3.706 3.960 -0.020 0.000 0.217 796 G HA3 -0.242 3.706 3.960 -0.020 0.000 0.217 796 G C 0.003 174.927 174.900 0.040 0.000 0.996 796 G CA 0.105 45.224 45.100 0.032 0.000 0.632 796 G HN 0.593 nan 8.290 nan 0.000 0.503 797 Q N 1.135 120.962 119.800 0.045 0.000 2.309 797 Q HA 0.840 5.167 4.340 -0.020 0.000 0.264 797 Q C 0.149 176.200 176.000 0.084 0.000 1.008 797 Q CA -1.095 54.739 55.803 0.052 0.000 0.853 797 Q CB 1.175 29.938 28.738 0.041 0.000 1.314 797 Q HN 0.145 nan 8.270 nan 0.000 0.448 798 M N 1.928 121.586 119.600 0.096 0.000 2.219 798 M HA 0.267 4.735 4.480 -0.020 0.000 0.353 798 M C -0.741 175.730 176.300 0.286 0.000 1.304 798 M CA -0.382 55.030 55.300 0.186 0.000 1.115 798 M CB 0.470 33.151 32.600 0.134 0.000 1.664 798 M HN 0.555 nan 8.290 nan 0.000 0.459 799 V N 6.412 126.513 119.914 0.312 0.000 2.417 799 V HA 0.420 4.528 4.120 -0.020 0.000 0.291 799 V C -1.922 174.304 176.094 0.221 0.000 1.024 799 V CA -1.557 60.910 62.300 0.278 0.000 0.861 799 V CB 1.586 33.566 31.823 0.262 0.000 0.985 799 V HN 0.667 nan 8.190 nan 0.000 0.436 800 P HA 0.199 nan 4.420 nan 0.000 0.272 800 P C 0.639 177.659 177.300 -0.467 0.000 1.240 800 P CA -0.193 62.642 63.100 -0.442 0.000 0.791 800 P CB 0.959 32.411 31.700 -0.414 0.000 0.978 801 F N 0.491 120.091 119.950 -0.583 0.000 2.216 801 F HA -0.199 4.315 4.527 -0.021 0.000 0.300 801 F C 2.668 177.930 175.800 -0.898 0.000 1.085 801 F CA 2.138 59.605 58.000 -0.890 0.000 1.326 801 F CB -0.585 38.225 39.000 -0.317 0.000 1.027 801 F HN 0.299 nan 8.300 nan 0.000 0.497 802 S N -0.197 115.305 115.700 -0.330 0.000 2.469 802 S HA -0.127 4.331 4.470 -0.020 0.000 0.238 802 S C 1.924 176.376 174.600 -0.247 0.000 0.998 802 S CA 0.727 58.795 58.200 -0.219 0.000 0.957 802 S CB -0.593 62.539 63.200 -0.113 0.000 0.764 802 S HN 0.268 nan 8.310 nan 0.000 0.514 803 A N 0.849 123.447 122.820 -0.370 0.000 2.132 803 A HA 0.432 4.739 4.320 -0.020 0.000 0.213 803 A C 1.342 178.877 177.584 -0.080 0.000 1.154 803 A CA 0.447 52.378 52.037 -0.177 0.000 0.753 803 A CB -0.474 18.489 19.000 -0.063 0.000 0.826 803 A HN 0.918 nan 8.150 nan 0.000 0.469 804 F N -1.652 118.274 119.950 -0.041 0.000 2.901 804 F HA 0.431 4.946 4.527 -0.020 0.000 0.329 804 F C 0.002 175.775 175.800 -0.046 0.000 1.185 804 F CA -0.119 57.847 58.000 -0.057 0.000 1.114 804 F CB -0.025 38.916 39.000 -0.098 0.000 1.199 804 F HN 0.066 nan 8.300 nan 0.000 0.513 805 S N 0.328 115.998 115.700 -0.050 0.000 2.546 805 S HA 0.653 5.111 4.470 -0.020 0.000 0.272 805 S C -0.837 173.746 174.600 -0.029 0.000 1.140 805 S CA -0.373 57.842 58.200 0.024 0.000 0.920 805 S CB 1.705 64.953 63.200 0.080 0.000 1.083 805 S HN 0.389 nan 8.310 nan 0.000 0.476 806 S N 1.914 117.597 115.700 -0.028 0.000 2.593 806 S HA 0.887 5.344 4.470 -0.020 0.000 0.297 806 S C -0.249 174.278 174.600 -0.122 0.000 1.112 806 S CA -0.036 58.130 58.200 -0.057 0.000 1.043 806 S CB 1.097 64.270 63.200 -0.046 0.000 1.054 806 S HN 1.787 nan 8.310 nan 0.000 0.516 807 S N 2.827 118.429 115.700 -0.164 0.000 2.618 807 S HA 0.898 5.356 4.470 -0.020 0.000 0.277 807 S C -1.025 173.356 174.600 -0.365 0.000 1.138 807 S CA -1.052 56.922 58.200 -0.376 0.000 0.844 807 S CB 1.753 64.626 63.200 -0.545 0.000 1.127 807 S HN 1.192 nan 8.310 nan 0.000 0.474 808 R N -0.270 119.875 120.500 -0.592 0.000 2.728 808 R HA 0.367 4.695 4.340 -0.020 0.000 0.274 808 R C -2.184 173.872 176.300 -0.408 0.000 1.032 808 R CA -0.941 54.971 56.100 -0.314 0.000 0.866 808 R CB 0.142 30.373 30.300 -0.115 0.000 1.263 808 R HN 0.650 nan 8.270 nan 0.000 0.475 809 W N 1.635 122.888 121.300 -0.079 0.000 2.316 809 W HA 0.379 5.026 4.660 -0.021 0.000 0.321 809 W C 0.364 176.853 176.519 -0.050 0.000 1.203 809 W CA 0.309 57.639 57.345 -0.026 0.000 1.214 809 W CB 1.195 30.682 29.460 0.044 0.000 1.169 809 W HN 0.672 nan 8.180 nan 0.000 0.561 810 E N 0.681 120.994 120.200 0.187 0.000 2.458 810 E HA 0.438 4.776 4.350 -0.020 0.000 0.278 810 E C -1.861 174.800 176.600 0.101 0.000 1.004 810 E CA -1.107 55.373 56.400 0.133 0.000 0.823 810 E CB 1.467 31.210 29.700 0.072 0.000 1.396 810 E HN 0.361 nan 8.360 nan 0.000 0.463 811 Y N -0.573 119.796 120.300 0.115 0.000 2.403 811 Y HA 0.683 5.221 4.550 -0.021 0.000 0.323 811 Y C 0.685 176.642 175.900 0.094 0.000 1.226 811 Y CA 0.875 59.041 58.100 0.111 0.000 1.235 811 Y CB 2.262 40.778 38.460 0.094 0.000 1.248 811 Y HN 0.763 nan 8.280 nan 0.000 0.489 812 G N 0.060 109.032 108.800 0.285 0.000 2.576 812 G HA2 0.390 4.338 3.960 -0.020 0.000 0.290 812 G HA3 0.390 4.338 3.960 -0.020 0.000 0.290 812 G C -1.758 173.239 174.900 0.161 0.000 1.442 812 G CA -0.916 44.285 45.100 0.169 0.000 0.792 812 G HN 0.577 nan 8.290 nan 0.000 0.491 813 S N 0.460 116.185 115.700 0.043 0.000 2.480 813 S HA 0.638 5.096 4.470 -0.020 0.000 0.286 813 S C -1.301 173.305 174.600 0.011 0.000 1.180 813 S CA -1.263 56.951 58.200 0.024 0.000 1.075 813 S CB 2.024 65.099 63.200 -0.208 0.000 0.996 813 S HN 0.356 nan 8.310 nan 0.000 0.487 814 P HA 0.083 nan 4.420 nan 0.000 0.236 814 P C 0.017 177.335 177.300 0.030 0.000 1.177 814 P CA 0.474 63.600 63.100 0.044 0.000 0.773 814 P CB -0.049 31.689 31.700 0.063 0.000 0.878 815 R N 0.045 120.559 120.500 0.024 0.000 2.515 815 R HA 0.468 4.796 4.340 -0.020 0.000 0.278 815 R C -1.741 174.562 176.300 0.005 0.000 1.107 815 R CA -0.591 55.522 56.100 0.021 0.000 0.945 815 R CB 0.817 31.141 30.300 0.040 0.000 1.219 815 R HN -0.135 nan 8.270 nan 0.000 0.434 816 L N 3.989 125.204 121.223 -0.012 0.000 2.287 816 L HA 0.479 4.807 4.340 -0.020 0.000 0.287 816 L C -0.275 176.611 176.870 0.027 0.000 1.022 816 L CA -0.670 54.158 54.840 -0.020 0.000 0.814 816 L CB 1.882 43.903 42.059 -0.063 0.000 1.217 816 L HN 0.656 nan 8.230 nan 0.000 0.420 817 E N 3.598 123.831 120.200 0.054 0.000 2.242 817 E HA 0.614 4.952 4.350 -0.020 0.000 0.275 817 E C -0.878 175.762 176.600 0.068 0.000 1.002 817 E CA -0.809 55.629 56.400 0.063 0.000 0.841 817 E CB 1.680 31.422 29.700 0.070 0.000 1.109 817 E HN 0.420 nan 8.360 nan 0.000 0.394 818 R N 1.697 122.239 120.500 0.069 0.000 2.621 818 R HA 0.368 4.696 4.340 -0.020 0.000 0.284 818 R C -1.581 174.779 176.300 0.101 0.000 0.998 818 R CA -0.886 55.257 56.100 0.071 0.000 0.895 818 R CB 1.614 31.938 30.300 0.039 0.000 1.195 818 R HN 0.527 nan 8.270 nan 0.000 0.450 819 Y N 2.222 122.502 120.300 -0.034 0.000 2.376 819 Y HA 0.178 4.716 4.550 -0.019 0.000 0.340 819 Y C 0.079 175.952 175.900 -0.044 0.000 0.965 819 Y CA -0.672 57.394 58.100 -0.057 0.000 1.078 819 Y CB 1.352 39.752 38.460 -0.100 0.000 1.193 819 Y HN 0.687 nan 8.280 nan 0.000 0.452 820 N N 3.581 122.038 118.700 -0.406 0.000 2.666 820 N HA -0.254 4.474 4.740 -0.020 0.000 0.248 820 N C 0.770 176.230 175.510 -0.082 0.000 1.118 820 N CA 1.865 54.776 53.050 -0.233 0.000 0.722 820 N CB -1.020 37.376 38.487 -0.152 0.000 1.050 820 N HN 1.228 nan 8.380 nan 0.000 0.550 821 G N -2.215 106.550 108.800 -0.057 0.000 2.493 821 G HA2 -0.262 3.686 3.960 -0.020 0.000 0.206 821 G HA3 -0.262 3.686 3.960 -0.020 0.000 0.206 821 G C 0.008 174.911 174.900 0.006 0.000 1.109 821 G CA 0.092 45.179 45.100 -0.022 0.000 0.689 821 G HN 0.321 nan 8.290 nan 0.000 0.516 822 L N 2.425 123.661 121.223 0.022 0.000 2.421 822 L HA 0.498 4.826 4.340 -0.020 0.000 0.263 822 L C -2.060 174.839 176.870 0.049 0.000 1.122 822 L CA -2.122 52.738 54.840 0.033 0.000 0.804 822 L CB 0.767 42.845 42.059 0.032 0.000 1.150 822 L HN -0.045 nan 8.230 nan 0.000 0.457 823 P HA 0.016 nan 4.420 nan 0.000 0.263 823 P C -0.942 176.395 177.300 0.063 0.000 1.195 823 P CA 0.077 63.214 63.100 0.062 0.000 0.762 823 P CB 0.635 32.376 31.700 0.069 0.000 0.799 824 S N 3.147 118.890 115.700 0.071 0.000 2.599 824 S HA 0.813 5.271 4.470 -0.020 0.000 0.294 824 S C -0.664 173.965 174.600 0.048 0.000 1.094 824 S CA -0.915 57.313 58.200 0.046 0.000 0.931 824 S CB 1.416 64.654 63.200 0.064 0.000 1.093 824 S HN 0.202 nan 8.310 nan 0.000 0.488 825 M N 1.904 121.514 119.600 0.017 0.000 2.106 825 M HA 0.392 4.860 4.480 -0.020 0.000 0.288 825 M C -0.623 175.683 176.300 0.010 0.000 0.941 825 M CA -0.239 55.080 55.300 0.033 0.000 0.934 825 M CB 1.968 34.595 32.600 0.044 0.000 1.551 825 M HN 0.852 nan 8.290 nan 0.000 0.437 826 E N 3.525 123.730 120.200 0.009 0.000 2.338 826 E HA 0.440 4.778 4.350 -0.020 0.000 0.272 826 E C -1.384 175.248 176.600 0.055 0.000 1.029 826 E CA -0.082 56.317 56.400 -0.001 0.000 0.872 826 E CB 1.005 30.701 29.700 -0.005 0.000 1.015 826 E HN 0.587 nan 8.360 nan 0.000 0.417 827 I N 5.574 126.216 120.570 0.120 0.000 2.447 827 I HA 0.256 4.413 4.170 -0.020 0.000 0.287 827 I C -0.416 175.785 176.117 0.140 0.000 1.023 827 I CA -0.503 60.884 61.300 0.146 0.000 1.083 827 I CB 1.308 39.439 38.000 0.218 0.000 1.245 827 I HN 0.395 nan 8.210 nan 0.000 0.434 828 L N 5.037 126.262 121.223 0.004 0.000 2.387 828 L HA 0.969 5.296 4.340 -0.020 0.000 0.266 828 L C 0.485 177.146 176.870 -0.349 0.000 1.059 828 L CA -0.522 54.232 54.840 -0.144 0.000 0.801 828 L CB 1.698 43.664 42.059 -0.156 0.000 1.223 828 L HN 0.774 nan 8.230 nan 0.000 0.456 829 G N 0.327 108.668 108.800 -0.766 0.000 2.325 829 G HA2 0.363 4.311 3.960 -0.020 0.000 0.297 829 G HA3 0.363 4.311 3.960 -0.020 0.000 0.297 829 G C -2.101 172.142 174.900 -1.095 0.000 1.448 829 G CA -0.655 43.887 45.100 -0.930 0.000 0.838 829 G HN 0.433 nan 8.290 nan 0.000 0.579 830 Q N -0.775 118.766 119.800 -0.433 0.000 2.359 830 Q HA 0.761 5.089 4.340 -0.020 0.000 0.275 830 Q C 0.213 176.309 176.000 0.160 0.000 1.082 830 Q CA -0.632 55.094 55.803 -0.129 0.000 0.849 830 Q CB 2.389 31.080 28.738 -0.078 0.000 1.377 830 Q HN 1.035 nan 8.270 nan 0.000 0.452 831 A N 0.643 123.557 122.820 0.157 0.000 2.304 831 A HA 0.679 4.986 4.320 -0.020 0.000 0.271 831 A C -0.229 177.399 177.584 0.073 0.000 1.091 831 A CA -0.110 52.008 52.037 0.136 0.000 0.812 831 A CB 0.203 19.257 19.000 0.090 0.000 1.056 831 A HN 0.747 nan 8.150 nan 0.000 0.489 832 A N 1.875 124.730 122.820 0.058 0.000 2.466 832 A HA 0.465 4.773 4.320 -0.020 0.000 0.238 832 A C -1.238 176.359 177.584 0.023 0.000 1.074 832 A CA -0.709 51.350 52.037 0.038 0.000 0.774 832 A CB -0.639 18.381 19.000 0.032 0.000 1.015 832 A HN 0.608 nan 8.150 nan 0.000 0.498 833 P HA -0.133 nan 4.420 nan 0.000 0.219 833 P C 0.941 178.243 177.300 0.002 0.000 1.145 833 P CA 2.039 65.144 63.100 0.008 0.000 0.813 833 P CB 0.188 31.892 31.700 0.007 0.000 0.771 834 G N -2.972 105.830 108.800 0.002 0.000 3.839 834 G HA2 0.170 4.118 3.960 -0.020 0.000 0.286 834 G HA3 0.170 4.118 3.960 -0.020 0.000 0.286 834 G C 0.130 175.027 174.900 -0.005 0.000 1.005 834 G CA -0.032 45.065 45.100 -0.005 0.000 0.824 834 G HN 0.102 nan 8.290 nan 0.000 0.489 835 K N 0.138 120.538 120.400 0.001 0.000 2.295 835 K HA 0.676 4.984 4.320 -0.020 0.000 0.239 835 K C 0.043 176.643 176.600 -0.000 0.000 0.991 835 K CA -0.513 55.773 56.287 -0.001 0.000 0.845 835 K CB 1.812 34.314 32.500 0.003 0.000 1.197 835 K HN 0.026 nan 8.250 nan 0.000 0.441 836 S N -0.500 115.194 115.700 -0.009 0.000 2.632 836 S HA 0.143 4.600 4.470 -0.020 0.000 0.271 836 S C 0.577 175.171 174.600 -0.010 0.000 1.260 836 S CA -0.308 57.886 58.200 -0.012 0.000 1.010 836 S CB 0.639 63.827 63.200 -0.021 0.000 0.965 836 S HN 0.586 nan 8.310 nan 0.000 0.534 837 T N 3.135 117.684 114.554 -0.009 0.000 2.915 837 T HA 0.047 4.385 4.350 -0.020 0.000 0.269 837 T C 1.877 176.526 174.700 -0.085 0.000 1.071 837 T CA 1.153 63.248 62.100 -0.009 0.000 1.132 837 T CB -0.714 68.152 68.868 -0.003 0.000 0.878 837 T HN 0.774 nan 8.240 nan 0.000 0.479 838 G N 1.571 110.318 108.800 -0.088 0.000 2.394 838 G HA2 -0.118 3.830 3.960 -0.020 0.000 0.215 838 G HA3 -0.118 3.830 3.960 -0.020 0.000 0.215 838 G C 1.447 176.274 174.900 -0.121 0.000 1.165 838 G CA 0.307 45.334 45.100 -0.122 0.000 0.784 838 G HN 0.507 nan 8.290 nan 0.000 0.535 839 E N 0.671 120.820 120.200 -0.085 0.000 2.106 839 E HA -0.005 4.332 4.350 -0.020 0.000 0.192 839 E C 2.893 179.427 176.600 -0.110 0.000 0.984 839 E CA 0.675 57.027 56.400 -0.081 0.000 0.806 839 E CB -0.153 29.515 29.700 -0.053 0.000 0.750 839 E HN 0.400 nan 8.360 nan 0.000 0.458 840 A N 1.259 124.010 122.820 -0.114 0.000 1.877 840 A HA -0.198 4.110 4.320 -0.020 0.000 0.216 840 A C 2.180 179.569 177.584 -0.325 0.000 1.186 840 A CA 1.427 53.367 52.037 -0.162 0.000 0.620 840 A CB -0.467 18.508 19.000 -0.043 0.000 0.822 840 A HN 0.131 nan 8.150 nan 0.000 0.443 841 M N -1.118 118.263 119.600 -0.365 0.000 2.159 841 M HA -0.168 4.300 4.480 -0.020 0.000 0.263 841 M C 2.207 178.446 176.300 -0.101 0.000 1.063 841 M CA 1.856 56.916 55.300 -0.400 0.000 1.110 841 M CB -0.308 31.865 32.600 -0.713 0.000 1.374 841 M HN 0.615 nan 8.290 nan 0.000 0.411 842 E N 0.542 120.672 120.200 -0.116 0.000 2.077 842 E HA -0.216 4.122 4.350 -0.020 0.000 0.193 842 E C 2.027 178.580 176.600 -0.079 0.000 0.989 842 E CA 0.920 57.289 56.400 -0.052 0.000 0.800 842 E CB 0.027 29.691 29.700 -0.061 0.000 0.746 842 E HN 0.356 nan 8.360 nan 0.000 0.452 843 L N 0.759 121.898 121.223 -0.139 0.000 2.046 843 L HA -0.187 4.141 4.340 -0.020 0.000 0.208 843 L C 2.304 179.048 176.870 -0.210 0.000 1.077 843 L CA 1.457 56.183 54.840 -0.189 0.000 0.747 843 L CB -0.670 41.252 42.059 -0.228 0.000 0.896 843 L HN 0.344 nan 8.230 nan 0.000 0.432 844 M N -0.436 119.025 119.600 -0.232 0.000 2.108 844 M HA -0.230 4.237 4.480 -0.020 0.000 0.261 844 M C 2.007 178.101 176.300 -0.343 0.000 1.066 844 M CA 1.564 56.659 55.300 -0.343 0.000 1.107 844 M CB -0.867 31.503 32.600 -0.384 0.000 1.356 844 M HN 0.336 nan 8.290 nan 0.000 0.406 845 E N -0.300 119.797 120.200 -0.170 0.000 2.106 845 E HA -0.204 4.134 4.350 -0.020 0.000 0.192 845 E C 2.038 178.542 176.600 -0.159 0.000 0.984 845 E CA 0.945 57.212 56.400 -0.221 0.000 0.806 845 E CB -0.165 29.594 29.700 0.100 0.000 0.750 845 E HN 0.618 nan 8.360 nan 0.000 0.458 846 Q N 0.551 120.286 119.800 -0.109 0.000 2.119 846 Q HA -0.094 4.234 4.340 -0.020 0.000 0.201 846 Q C 2.294 178.235 176.000 -0.099 0.000 0.972 846 Q CA 0.953 56.708 55.803 -0.081 0.000 0.847 846 Q CB 0.001 28.688 28.738 -0.084 0.000 0.903 846 Q HN 0.276 nan 8.270 nan 0.000 0.433 847 L N -0.158 120.975 121.223 -0.149 0.000 2.093 847 L HA -0.139 4.189 4.340 -0.020 0.000 0.208 847 L C 2.428 179.215 176.870 -0.137 0.000 1.085 847 L CA 0.857 55.618 54.840 -0.132 0.000 0.755 847 L CB -0.542 41.422 42.059 -0.157 0.000 0.904 847 L HN 0.238 nan 8.230 nan 0.000 0.435 848 A N 0.206 122.897 122.820 -0.215 0.000 1.930 848 A HA -0.197 4.111 4.320 -0.020 0.000 0.217 848 A C 2.460 180.022 177.584 -0.037 0.000 1.175 848 A CA 1.736 53.672 52.037 -0.169 0.000 0.627 848 A CB -0.653 18.118 19.000 -0.382 0.000 0.815 848 A HN 0.513 nan 8.150 nan 0.000 0.443 849 S N -1.040 114.649 115.700 -0.019 0.000 2.500 849 S HA -0.062 4.396 4.470 -0.020 0.000 0.239 849 S C 1.241 175.858 174.600 0.028 0.000 0.989 849 S CA 1.558 59.789 58.200 0.051 0.000 0.951 849 S CB -0.142 63.092 63.200 0.057 0.000 0.759 849 S HN 0.373 nan 8.310 nan 0.000 0.523 850 K N 0.555 120.957 120.400 0.003 0.000 2.399 850 K HA 0.494 4.802 4.320 -0.020 0.000 0.204 850 K C 0.016 176.616 176.600 0.001 0.000 1.023 850 K CA -0.156 56.132 56.287 0.002 0.000 1.127 850 K CB 0.180 32.676 32.500 -0.006 0.000 0.856 850 K HN 0.414 nan 8.250 nan 0.000 0.514 851 L N 1.032 122.259 121.223 0.006 0.000 2.479 851 L HA 0.344 4.672 4.340 -0.020 0.000 0.249 851 L C -1.716 175.161 176.870 0.013 0.000 1.178 851 L CA -2.211 52.633 54.840 0.007 0.000 0.811 851 L CB -0.086 41.981 42.059 0.014 0.000 1.187 851 L HN -0.056 nan 8.230 nan 0.000 0.480 852 P HA 0.023 nan 4.420 nan 0.000 0.268 852 P C -0.707 176.602 177.300 0.015 0.000 1.208 852 P CA -0.116 62.989 63.100 0.008 0.000 0.777 852 P CB 0.216 31.918 31.700 0.003 0.000 0.875 853 T N 1.244 115.806 114.554 0.014 0.000 2.930 853 T HA 0.366 4.704 4.350 -0.020 0.000 0.306 853 T C 1.348 176.057 174.700 0.016 0.000 1.045 853 T CA 1.124 63.234 62.100 0.016 0.000 1.134 853 T CB 0.062 68.938 68.868 0.013 0.000 0.961 853 T HN 0.817 nan 8.240 nan 0.000 0.545 854 G N 1.612 110.423 108.800 0.018 0.000 2.176 854 G HA2 -0.213 3.734 3.960 -0.020 0.000 0.232 854 G HA3 -0.213 3.734 3.960 -0.020 0.000 0.232 854 G C 0.074 174.986 174.900 0.019 0.000 0.986 854 G CA -0.175 44.935 45.100 0.016 0.000 0.643 854 G HN 0.780 nan 8.290 nan 0.000 0.522 855 V N 1.138 121.069 119.914 0.028 0.000 2.394 855 V HA 0.783 4.891 4.120 -0.020 0.000 0.282 855 V C 0.959 177.090 176.094 0.062 0.000 1.031 855 V CA 0.351 62.674 62.300 0.038 0.000 0.881 855 V CB 1.212 33.060 31.823 0.040 0.000 0.982 855 V HN 0.776 nan 8.190 nan 0.000 0.451 856 G N 3.443 112.272 108.800 0.049 0.000 3.211 856 G HA2 0.843 4.790 3.960 -0.020 0.000 0.262 856 G HA3 0.843 4.790 3.960 -0.020 0.000 0.262 856 G C -1.410 173.528 174.900 0.063 0.000 1.352 856 G CA -0.606 44.524 45.100 0.050 0.000 1.004 856 G HN 0.881 nan 8.290 nan 0.000 0.559 857 Y N -2.286 117.878 120.300 -0.227 0.000 2.677 857 Y HA 0.759 5.297 4.550 -0.020 0.000 0.334 857 Y C -2.012 173.567 175.900 -0.535 0.000 1.196 857 Y CA -1.313 56.478 58.100 -0.514 0.000 1.059 857 Y CB 1.941 40.033 38.460 -0.613 0.000 1.315 857 Y HN 0.565 nan 8.280 nan 0.000 0.455 858 D N 0.301 120.267 120.400 -0.724 0.000 2.609 858 D HA 0.311 4.939 4.640 -0.020 0.000 0.239 858 D C -2.126 173.757 176.300 -0.694 0.000 1.229 858 D CA -0.455 53.201 54.000 -0.573 0.000 0.808 858 D CB 2.061 42.635 40.800 -0.377 0.000 1.448 858 D HN 0.672 nan 8.370 nan 0.000 0.433 859 W N 0.608 121.844 121.300 -0.107 0.000 2.469 859 W HA 0.539 5.186 4.660 -0.022 0.000 0.320 859 W C 0.602 177.128 176.519 0.012 0.000 1.086 859 W CA -0.425 56.905 57.345 -0.024 0.000 1.211 859 W CB 1.862 31.386 29.460 0.106 0.000 1.298 859 W HN 0.013 nan 8.180 nan 0.000 0.525 860 T N 0.931 115.578 114.554 0.156 0.000 2.916 860 T HA 0.638 4.976 4.350 -0.020 0.000 0.292 860 T C 0.687 175.443 174.700 0.093 0.000 1.064 860 T CA 0.555 62.605 62.100 -0.084 0.000 1.011 860 T CB 0.833 69.471 68.868 -0.382 0.000 1.152 860 T HN 0.975 nan 8.240 nan 0.000 0.510 861 G N 2.794 111.624 108.800 0.049 0.000 2.591 861 G HA2 -0.366 3.581 3.960 -0.020 0.000 0.298 861 G HA3 -0.366 3.581 3.960 -0.020 0.000 0.298 861 G C 1.248 176.291 174.900 0.238 0.000 1.195 861 G CA 1.248 46.462 45.100 0.189 0.000 0.989 861 G HN 1.166 nan 8.290 nan 0.000 0.551 862 M N -0.068 119.627 119.600 0.158 0.000 2.108 862 M HA 0.016 4.484 4.480 -0.020 0.000 0.261 862 M C 2.346 178.714 176.300 0.113 0.000 1.066 862 M CA 3.599 58.967 55.300 0.112 0.000 1.107 862 M CB -0.685 31.951 32.600 0.060 0.000 1.356 862 M HN 0.911 nan 8.290 nan 0.000 0.406 863 S N -1.385 114.407 115.700 0.154 0.000 2.593 863 S HA -0.021 4.437 4.470 -0.020 0.000 0.217 863 S C 1.569 176.242 174.600 0.122 0.000 0.966 863 S CA -0.052 58.187 58.200 0.065 0.000 0.914 863 S CB -0.804 62.407 63.200 0.017 0.000 0.776 863 S HN 0.677 nan 8.310 nan 0.000 0.523 864 Y N 1.561 121.943 120.300 0.136 0.000 2.347 864 Y HA 0.173 4.710 4.550 -0.021 0.000 0.294 864 Y C 2.544 178.520 175.900 0.126 0.000 1.117 864 Y CA 1.077 59.286 58.100 0.181 0.000 1.184 864 Y CB -0.085 38.546 38.460 0.285 0.000 1.047 864 Y HN 0.244 nan 8.280 nan 0.000 0.546 865 Q N 0.919 120.878 119.800 0.265 0.000 2.062 865 Q HA -0.157 4.170 4.340 -0.020 0.000 0.196 865 Q C 2.084 178.099 176.000 0.026 0.000 0.967 865 Q CA 2.014 57.913 55.803 0.160 0.000 0.832 865 Q CB -0.212 28.622 28.738 0.160 0.000 0.899 865 Q HN 0.721 nan 8.270 nan 0.000 0.442 866 E N -0.682 119.515 120.200 -0.005 0.000 2.347 866 E HA -0.196 4.142 4.350 -0.020 0.000 0.196 866 E C 1.863 178.421 176.600 -0.070 0.000 1.008 866 E CA 0.632 57.005 56.400 -0.044 0.000 0.852 866 E CB -0.149 29.515 29.700 -0.059 0.000 0.783 866 E HN 0.187 nan 8.360 nan 0.000 0.505 867 R N 0.635 121.072 120.500 -0.104 0.000 2.119 867 R HA 0.055 4.383 4.340 -0.020 0.000 0.222 867 R C 2.315 178.542 176.300 -0.121 0.000 1.088 867 R CA 0.472 56.489 56.100 -0.139 0.000 0.984 867 R CB 0.004 30.194 30.300 -0.183 0.000 0.884 867 R HN 0.199 nan 8.270 nan 0.000 0.447 868 L N -0.711 120.433 121.223 -0.131 0.000 1.973 868 L HA -0.028 4.300 4.340 -0.020 0.000 0.208 868 L C 1.197 178.047 176.870 -0.034 0.000 1.073 868 L CA 0.858 55.640 54.840 -0.096 0.000 0.746 868 L CB -0.335 41.675 42.059 -0.083 0.000 0.891 868 L HN 0.033 nan 8.230 nan 0.000 0.433 869 S N -0.663 115.034 115.700 -0.004 0.000 2.442 869 S HA 0.643 5.101 4.470 -0.020 0.000 0.297 869 S C -0.264 174.357 174.600 0.035 0.000 1.131 869 S CA -0.177 58.043 58.200 0.033 0.000 1.092 869 S CB 0.935 64.180 63.200 0.074 0.000 0.998 869 S HN 0.396 nan 8.310 nan 0.000 0.478 870 G N 3.210 112.034 108.800 0.040 0.000 2.387 870 G HA2 0.391 4.338 3.960 -0.020 0.000 0.294 870 G HA3 0.391 4.338 3.960 -0.020 0.000 0.294 870 G C -0.677 174.245 174.900 0.036 0.000 1.509 870 G CA -0.613 44.513 45.100 0.043 0.000 0.806 870 G HN 0.691 nan 8.290 nan 0.000 0.546 871 N N -0.973 117.755 118.700 0.047 0.000 2.753 871 N HA -0.212 4.516 4.740 -0.020 0.000 0.251 871 N C 1.332 176.848 175.510 0.010 0.000 1.097 871 N CA 1.842 54.912 53.050 0.034 0.000 0.786 871 N CB -0.778 37.718 38.487 0.014 0.000 1.137 871 N HN 0.703 nan 8.380 nan 0.000 0.566 872 Q N -0.505 119.303 119.800 0.012 0.000 2.123 872 Q HA 0.171 4.499 4.340 -0.020 0.000 0.196 872 Q C 2.328 178.191 176.000 -0.228 0.000 0.958 872 Q CA 1.249 56.989 55.803 -0.106 0.000 0.841 872 Q CB -0.054 28.610 28.738 -0.123 0.000 0.915 872 Q HN 0.551 nan 8.270 nan 0.000 0.455 873 A N 2.378 125.142 122.820 -0.093 0.000 1.896 873 A HA -0.200 4.108 4.320 -0.020 0.000 0.220 873 A C -0.311 177.180 177.584 -0.155 0.000 1.206 873 A CA 1.911 53.841 52.037 -0.177 0.000 0.647 873 A CB -1.727 17.402 19.000 0.214 0.000 0.828 873 A HN 0.300 nan 8.150 nan 0.000 0.455 874 P HA -0.070 nan 4.420 nan 0.000 0.218 874 P C 1.484 178.778 177.300 -0.009 0.000 1.149 874 P CA 1.722 64.864 63.100 0.070 0.000 0.817 874 P CB -0.195 31.547 31.700 0.070 0.000 0.785 875 S N 0.567 116.216 115.700 -0.084 0.000 2.345 875 S HA -0.052 4.406 4.470 -0.020 0.000 0.220 875 S C 2.103 176.613 174.600 -0.151 0.000 1.031 875 S CA 1.067 59.203 58.200 -0.107 0.000 0.996 875 S CB -1.156 61.971 63.200 -0.122 0.000 0.882 875 S HN 0.127 nan 8.310 nan 0.000 0.445 876 L N -0.237 120.815 121.223 -0.285 0.000 2.141 876 L HA -0.049 4.278 4.340 -0.020 0.000 0.209 876 L C 2.140 178.893 176.870 -0.194 0.000 1.094 876 L CA 1.218 55.857 54.840 -0.335 0.000 0.763 876 L CB -0.538 41.163 42.059 -0.597 0.000 0.908 876 L HN 0.366 nan 8.230 nan 0.000 0.437 877 Y N -0.613 119.628 120.300 -0.098 0.000 2.439 877 Y HA -0.121 4.417 4.550 -0.020 0.000 0.292 877 Y C 2.584 178.450 175.900 -0.057 0.000 1.130 877 Y CA 0.131 58.194 58.100 -0.061 0.000 1.254 877 Y CB -0.117 38.322 38.460 -0.036 0.000 1.000 877 Y HN 0.174 nan 8.280 nan 0.000 0.554 878 A N 0.408 123.273 122.820 0.076 0.000 1.897 878 A HA -0.107 4.201 4.320 -0.020 0.000 0.215 878 A C 2.020 179.609 177.584 0.008 0.000 1.181 878 A CA 1.180 53.232 52.037 0.026 0.000 0.620 878 A CB -0.787 18.212 19.000 -0.002 0.000 0.821 878 A HN 0.459 nan 8.150 nan 0.000 0.443 879 I N -0.765 119.794 120.570 -0.019 0.000 2.394 879 I HA -0.176 3.982 4.170 -0.020 0.000 0.251 879 I C 2.724 178.841 176.117 0.001 0.000 1.136 879 I CA 1.312 62.594 61.300 -0.030 0.000 1.425 879 I CB -0.220 37.729 38.000 -0.084 0.000 1.079 879 I HN 0.347 nan 8.210 nan 0.000 0.425 880 S N 1.014 116.730 115.700 0.026 0.000 2.368 880 S HA -0.148 4.310 4.470 -0.020 0.000 0.224 880 S C 2.072 176.703 174.600 0.051 0.000 1.029 880 S CA 1.209 59.439 58.200 0.051 0.000 0.988 880 S CB -0.282 62.988 63.200 0.116 0.000 0.838 880 S HN 0.401 nan 8.310 nan 0.000 0.462 881 L N 0.973 122.228 121.223 0.053 0.000 2.093 881 L HA -0.039 4.289 4.340 -0.020 0.000 0.208 881 L C 2.005 178.931 176.870 0.095 0.000 1.085 881 L CA 1.036 55.910 54.840 0.056 0.000 0.755 881 L CB -0.244 41.835 42.059 0.033 0.000 0.904 881 L HN 0.328 nan 8.230 nan 0.000 0.435 882 I N -1.012 119.603 120.570 0.076 0.000 2.202 882 I HA -0.216 3.942 4.170 -0.020 0.000 0.242 882 I C 2.493 178.714 176.117 0.173 0.000 1.091 882 I CA 1.196 62.565 61.300 0.114 0.000 1.368 882 I CB -1.089 36.946 38.000 0.059 0.000 1.058 882 I HN 0.096 nan 8.210 nan 0.000 0.410 883 V N 0.349 120.324 119.914 0.100 0.000 2.427 883 V HA -0.186 3.922 4.120 -0.020 0.000 0.248 883 V C 2.679 178.819 176.094 0.076 0.000 1.051 883 V CA 0.954 63.301 62.300 0.078 0.000 1.048 883 V CB -0.479 31.366 31.823 0.037 0.000 0.666 883 V HN 0.169 nan 8.190 nan 0.000 0.456 884 V N -0.229 119.734 119.914 0.083 0.000 2.287 884 V HA -0.302 3.806 4.120 -0.020 0.000 0.248 884 V C 2.196 178.346 176.094 0.095 0.000 1.053 884 V CA 2.669 65.011 62.300 0.070 0.000 1.027 884 V CB -0.698 31.162 31.823 0.062 0.000 0.646 884 V HN 0.620 nan 8.190 nan 0.000 0.447 885 F N 0.143 120.097 119.950 0.007 0.000 2.126 885 F HA -0.199 4.316 4.527 -0.021 0.000 0.299 885 F C 1.972 177.764 175.800 -0.013 0.000 1.096 885 F CA 1.794 59.791 58.000 -0.005 0.000 1.255 885 F CB -0.237 38.779 39.000 0.026 0.000 0.997 885 F HN 0.048 nan 8.300 nan 0.000 0.479 886 L N -0.668 120.555 121.223 0.000 0.000 2.005 886 L HA -0.253 4.075 4.340 -0.020 0.000 0.207 886 L C 2.685 179.445 176.870 -0.183 0.000 1.072 886 L CA 1.457 56.236 54.840 -0.101 0.000 0.744 886 L CB -1.116 40.990 42.059 0.079 0.000 0.895 886 L HN 0.235 nan 8.230 nan 0.000 0.433 887 C N -0.132 119.106 119.300 -0.103 0.000 2.401 887 C HA -0.186 4.262 4.460 -0.020 0.000 0.276 887 C C 2.769 177.646 174.990 -0.189 0.000 1.233 887 C CA 0.555 59.501 59.018 -0.120 0.000 1.753 887 C CB -1.005 26.695 27.740 -0.067 0.000 2.029 887 C HN 0.427 nan 8.230 nan 0.000 0.478 888 L N 1.100 122.212 121.223 -0.186 0.000 2.046 888 L HA -0.172 4.156 4.340 -0.020 0.000 0.208 888 L C 2.918 179.628 176.870 -0.266 0.000 1.077 888 L CA 1.602 56.322 54.840 -0.201 0.000 0.747 888 L CB -0.756 41.264 42.059 -0.065 0.000 0.896 888 L HN 0.350 nan 8.230 nan 0.000 0.432 889 A N -0.018 122.557 122.820 -0.409 0.000 1.917 889 A HA -0.257 4.051 4.320 -0.020 0.000 0.219 889 A C 2.520 179.834 177.584 -0.450 0.000 1.182 889 A CA 1.959 53.671 52.037 -0.542 0.000 0.633 889 A CB -0.802 17.666 19.000 -0.886 0.000 0.819 889 A HN 0.438 nan 8.150 nan 0.000 0.448 890 A N -0.692 121.902 122.820 -0.376 0.000 1.908 890 A HA -0.080 4.228 4.320 -0.020 0.000 0.218 890 A C 2.121 179.541 177.584 -0.275 0.000 1.181 890 A CA 1.765 53.628 52.037 -0.289 0.000 0.627 890 A CB -0.627 18.244 19.000 -0.214 0.000 0.818 890 A HN 0.688 nan 8.150 nan 0.000 0.445 891 L N -2.166 118.848 121.223 -0.348 0.000 2.191 891 L HA -0.087 4.241 4.340 -0.020 0.000 0.212 891 L C 1.563 178.120 176.870 -0.522 0.000 1.103 891 L CA 1.729 56.284 54.840 -0.474 0.000 0.769 891 L CB -0.341 41.322 42.059 -0.660 0.000 0.908 891 L HN 0.492 nan 8.230 nan 0.000 0.438 892 Y N -1.328 118.876 120.300 -0.161 0.000 2.453 892 Y HA 0.277 4.815 4.550 -0.020 0.000 0.247 892 Y C 0.615 176.418 175.900 -0.162 0.000 1.124 892 Y CA -0.983 57.034 58.100 -0.138 0.000 1.243 892 Y CB 0.159 38.549 38.460 -0.116 0.000 1.213 892 Y HN -0.007 nan 8.280 nan 0.000 0.523 893 E N 1.245 121.385 120.200 -0.099 0.000 2.230 893 E HA -0.212 4.125 4.350 -0.020 0.000 0.206 893 E C -0.350 176.185 176.600 -0.109 0.000 1.309 893 E CA 1.042 57.356 56.400 -0.142 0.000 0.697 893 E CB -1.321 28.336 29.700 -0.072 0.000 1.146 893 E HN 0.254 nan 8.360 nan 0.000 0.363 894 S N -1.776 113.789 115.700 -0.225 0.000 2.558 894 S HA 0.452 4.909 4.470 -0.020 0.000 0.277 894 S C -0.324 174.070 174.600 -0.344 0.000 1.143 894 S CA -0.509 57.631 58.200 -0.099 0.000 0.865 894 S CB 0.678 63.939 63.200 0.101 0.000 1.102 894 S HN 0.271 nan 8.310 nan 0.000 0.454 895 W N 1.781 123.098 121.300 0.030 0.000 2.812 895 W HA 0.116 4.764 4.660 -0.021 0.000 0.263 895 W C 2.432 178.886 176.519 -0.109 0.000 1.284 895 W CA 0.630 57.926 57.345 -0.081 0.000 1.430 895 W CB -0.148 29.355 29.460 0.073 0.000 1.088 895 W HN 0.771 nan 8.180 nan 0.000 0.623 896 S N 0.682 116.541 115.700 0.264 0.000 2.336 896 S HA -0.142 4.316 4.470 -0.020 0.000 0.216 896 S C 1.726 176.400 174.600 0.124 0.000 1.032 896 S CA 1.017 59.401 58.200 0.308 0.000 0.973 896 S CB -1.013 62.416 63.200 0.381 0.000 0.888 896 S HN 0.196 nan 8.310 nan 0.000 0.455 897 I N 3.017 123.609 120.570 0.037 0.000 2.185 897 I HA -0.130 4.028 4.170 -0.020 0.000 0.246 897 I C -0.907 175.157 176.117 -0.088 0.000 1.088 897 I CA 1.318 62.575 61.300 -0.071 0.000 1.347 897 I CB -1.604 36.278 38.000 -0.197 0.000 1.041 897 I HN 0.256 nan 8.210 nan 0.000 0.415 898 P HA -0.190 nan 4.420 nan 0.000 0.222 898 P C 1.478 178.767 177.300 -0.018 0.000 1.142 898 P CA 1.563 64.602 63.100 -0.101 0.000 0.788 898 P CB -0.199 31.269 31.700 -0.387 0.000 0.767 899 F N 0.022 120.058 119.950 0.144 0.000 2.186 899 F HA -0.174 4.341 4.527 -0.020 0.000 0.299 899 F C 2.617 178.396 175.800 -0.035 0.000 1.090 899 F CA 1.234 59.286 58.000 0.086 0.000 1.307 899 F CB -0.872 38.176 39.000 0.081 0.000 1.019 899 F HN 0.004 nan 8.300 nan 0.000 0.489 900 S N -0.195 115.609 115.700 0.173 0.000 2.399 900 S HA -0.183 4.275 4.470 -0.020 0.000 0.231 900 S C 1.975 176.646 174.600 0.119 0.000 1.022 900 S CA 1.253 59.537 58.200 0.141 0.000 0.983 900 S CB -0.931 62.429 63.200 0.267 0.000 0.803 900 S HN 0.302 nan 8.310 nan 0.000 0.480 901 V N 0.887 120.869 119.914 0.113 0.000 2.599 901 V HA 0.171 4.279 4.120 -0.020 0.000 0.245 901 V C 2.160 178.304 176.094 0.084 0.000 1.046 901 V CA 1.388 63.765 62.300 0.130 0.000 1.065 901 V CB -0.508 31.414 31.823 0.164 0.000 0.703 901 V HN 0.535 nan 8.190 nan 0.000 0.464 902 M N -0.390 119.250 119.600 0.068 0.000 2.319 902 M HA -0.004 4.464 4.480 -0.020 0.000 0.265 902 M C 2.000 178.283 176.300 -0.029 0.000 1.068 902 M CA 1.612 56.947 55.300 0.057 0.000 1.118 902 M CB -0.297 32.384 32.600 0.135 0.000 1.395 902 M HN 0.307 nan 8.290 nan 0.000 0.435 903 L N -0.184 120.911 121.223 -0.213 0.000 2.549 903 L HA -0.144 4.184 4.340 -0.020 0.000 0.230 903 L C 2.008 178.725 176.870 -0.255 0.000 1.162 903 L CA 0.294 54.832 54.840 -0.504 0.000 0.834 903 L CB -0.373 40.815 42.059 -1.452 0.000 0.947 903 L HN 0.134 nan 8.230 nan 0.000 0.452 904 V N -1.767 118.154 119.914 0.013 0.000 2.719 904 V HA -0.167 3.941 4.120 -0.020 0.000 0.252 904 V C 2.368 178.563 176.094 0.168 0.000 1.065 904 V CA 0.804 63.250 62.300 0.244 0.000 1.086 904 V CB 0.092 32.062 31.823 0.246 0.000 0.700 904 V HN 0.179 nan 8.190 nan 0.000 0.467 905 V N 0.791 120.756 119.914 0.085 0.000 2.236 905 V HA -0.278 3.830 4.120 -0.020 0.000 0.255 905 V C 0.218 176.334 176.094 0.037 0.000 1.068 905 V CA 3.015 65.336 62.300 0.036 0.000 1.044 905 V CB -2.042 29.773 31.823 -0.014 0.000 0.653 905 V HN 0.522 nan 8.190 nan 0.000 0.448 906 P HA -0.088 nan 4.420 nan 0.000 0.222 906 P C 1.636 178.956 177.300 0.035 0.000 1.147 906 P CA 0.910 64.011 63.100 0.001 0.000 0.790 906 P CB -0.079 31.585 31.700 -0.060 0.000 0.780 907 L N -0.938 120.349 121.223 0.106 0.000 2.141 907 L HA -0.026 4.302 4.340 -0.020 0.000 0.209 907 L C 2.432 179.368 176.870 0.109 0.000 1.094 907 L CA 2.026 56.943 54.840 0.128 0.000 0.763 907 L CB -1.698 40.486 42.059 0.209 0.000 0.908 907 L HN 0.026 nan 8.230 nan 0.000 0.437 908 G N -1.687 107.165 108.800 0.087 0.000 2.426 908 G HA2 -0.057 3.890 3.960 -0.020 0.000 0.214 908 G HA3 -0.057 3.890 3.960 -0.020 0.000 0.214 908 G C 1.564 176.496 174.900 0.053 0.000 1.156 908 G CA 0.685 45.828 45.100 0.070 0.000 0.802 908 G HN 0.212 nan 8.290 nan 0.000 0.534 909 V N 1.245 121.179 119.914 0.034 0.000 2.295 909 V HA -0.179 3.929 4.120 -0.020 0.000 0.246 909 V C 2.585 178.741 176.094 0.104 0.000 1.049 909 V CA 1.617 63.941 62.300 0.041 0.000 1.024 909 V CB -0.528 31.292 31.823 -0.005 0.000 0.648 909 V HN 0.366 nan 8.190 nan 0.000 0.447 910 I N 1.527 122.148 120.570 0.085 0.000 2.151 910 I HA -0.213 3.945 4.170 -0.020 0.000 0.243 910 I C 2.301 178.492 176.117 0.125 0.000 1.080 910 I CA 2.211 63.572 61.300 0.102 0.000 1.339 910 I CB -0.864 37.178 38.000 0.070 0.000 1.039 910 I HN 0.246 nan 8.210 nan 0.000 0.409 911 G N -0.554 108.313 108.800 0.112 0.000 2.408 911 G HA2 -0.176 3.772 3.960 -0.020 0.000 0.217 911 G HA3 -0.176 3.772 3.960 -0.020 0.000 0.217 911 G C 1.723 176.706 174.900 0.138 0.000 1.150 911 G CA 0.695 45.861 45.100 0.109 0.000 0.776 911 G HN 0.630 nan 8.290 nan 0.000 0.542 912 A N 0.685 123.600 122.820 0.159 0.000 1.877 912 A HA 0.083 4.391 4.320 -0.020 0.000 0.216 912 A C 2.429 180.275 177.584 0.436 0.000 1.186 912 A CA 1.285 53.474 52.037 0.254 0.000 0.620 912 A CB -0.436 18.627 19.000 0.106 0.000 0.822 912 A HN 0.344 nan 8.150 nan 0.000 0.443 913 L N -1.163 120.286 121.223 0.375 0.000 2.056 913 L HA -0.105 4.223 4.340 -0.020 0.000 0.207 913 L C 2.600 179.572 176.870 0.169 0.000 1.078 913 L CA 1.037 56.056 54.840 0.300 0.000 0.749 913 L CB -0.426 41.795 42.059 0.269 0.000 0.901 913 L HN 0.401 nan 8.230 nan 0.000 0.433 914 L N -0.499 120.829 121.223 0.175 0.000 2.093 914 L HA -0.169 4.159 4.340 -0.020 0.000 0.208 914 L C 2.668 179.660 176.870 0.204 0.000 1.085 914 L CA 1.210 56.159 54.840 0.181 0.000 0.755 914 L CB -0.226 41.932 42.059 0.165 0.000 0.904 914 L HN 0.222 nan 8.230 nan 0.000 0.435 915 A N -0.743 122.168 122.820 0.152 0.000 1.929 915 A HA -0.023 4.284 4.320 -0.020 0.000 0.216 915 A C 2.284 179.943 177.584 0.126 0.000 1.176 915 A CA 1.187 53.298 52.037 0.122 0.000 0.628 915 A CB -0.660 18.389 19.000 0.081 0.000 0.816 915 A HN 0.431 nan 8.150 nan 0.000 0.444 916 A N -1.112 121.756 122.820 0.081 0.000 2.209 916 A HA 0.111 4.419 4.320 -0.020 0.000 0.212 916 A C 1.975 179.520 177.584 -0.065 0.000 1.158 916 A CA 1.767 53.773 52.037 -0.051 0.000 0.742 916 A CB -0.614 18.197 19.000 -0.314 0.000 0.790 916 A HN 0.408 nan 8.150 nan 0.000 0.472 917 T N -1.810 112.757 114.554 0.021 0.000 3.021 917 T HA 0.097 4.435 4.350 -0.020 0.000 0.245 917 T C 1.481 176.208 174.700 0.046 0.000 1.028 917 T CA 0.532 62.637 62.100 0.009 0.000 1.139 917 T CB -0.317 68.564 68.868 0.022 0.000 0.884 917 T HN 0.365 nan 8.240 nan 0.000 0.457 918 F N 2.052 121.997 119.950 -0.009 0.000 2.095 918 F HA 0.025 4.540 4.527 -0.021 0.000 0.298 918 F C 1.372 177.169 175.800 -0.005 0.000 1.104 918 F CA 1.051 59.052 58.000 0.002 0.000 1.232 918 F CB 0.155 39.163 39.000 0.014 0.000 0.987 918 F HN -0.097 nan 8.300 nan 0.000 0.475 919 R N 0.271 120.892 120.500 0.200 0.000 2.297 919 R HA 0.297 4.625 4.340 -0.020 0.000 0.308 919 R C 0.073 176.390 176.300 0.028 0.000 1.029 919 R CA -0.072 56.086 56.100 0.095 0.000 0.929 919 R CB 0.858 31.207 30.300 0.082 0.000 1.046 919 R HN 0.204 nan 8.270 nan 0.000 0.461 920 G N 6.098 114.901 108.800 0.005 0.000 2.726 920 G HA2 0.091 4.039 3.960 -0.020 0.000 0.283 920 G HA3 0.091 4.039 3.960 -0.020 0.000 0.283 920 G C -0.216 174.667 174.900 -0.029 0.000 0.689 920 G CA -0.194 44.894 45.100 -0.021 0.000 2.087 920 G HN 0.308 nan 8.290 nan 0.000 0.546 921 L N 0.448 121.637 121.223 -0.056 0.000 2.343 921 L HA 0.843 5.171 4.340 -0.020 0.000 0.264 921 L C 0.426 177.216 176.870 -0.134 0.000 1.050 921 L CA -0.445 54.347 54.840 -0.080 0.000 0.956 921 L CB 2.001 44.008 42.059 -0.087 0.000 1.576 921 L HN 0.347 nan 8.230 nan 0.000 0.521 922 T N -0.605 113.844 114.554 -0.175 0.000 2.816 922 T HA 0.282 4.620 4.350 -0.020 0.000 0.299 922 T C -0.808 173.717 174.700 -0.292 0.000 1.230 922 T CA -0.527 61.457 62.100 -0.192 0.000 1.007 922 T CB 1.213 70.033 68.868 -0.080 0.000 1.289 922 T HN 0.467 nan 8.240 nan 0.000 0.508 923 N N 2.694 121.259 118.700 -0.226 0.000 3.124 923 N HA 0.212 4.940 4.740 -0.020 0.000 0.284 923 N C -0.561 174.991 175.510 0.070 0.000 1.209 923 N CA -0.483 52.504 53.050 -0.107 0.000 1.149 923 N CB -0.383 38.040 38.487 -0.106 0.000 1.434 923 N HN 0.672 nan 8.380 nan 0.000 0.529 924 D N -1.351 119.112 120.400 0.106 0.000 2.564 924 D HA 0.140 4.768 4.640 -0.020 0.000 0.273 924 D C 1.340 177.642 176.300 0.004 0.000 1.192 924 D CA -0.775 53.259 54.000 0.057 0.000 1.080 924 D CB 0.209 41.041 40.800 0.055 0.000 1.160 924 D HN -0.085 nan 8.370 nan 0.000 0.607 925 V N -0.888 118.848 119.914 -0.297 0.000 2.261 925 V HA -0.300 3.808 4.120 -0.020 0.000 0.246 925 V C 2.155 177.980 176.094 -0.448 0.000 1.047 925 V CA 1.709 63.669 62.300 -0.565 0.000 1.015 925 V CB -1.116 30.037 31.823 -1.117 0.000 0.642 925 V HN 0.528 nan 8.190 nan 0.000 0.446 926 Y N -0.948 119.211 120.300 -0.235 0.000 2.151 926 Y HA -0.305 4.233 4.550 -0.020 0.000 0.284 926 Y C 2.319 178.150 175.900 -0.116 0.000 1.166 926 Y CA 2.294 60.266 58.100 -0.213 0.000 1.163 926 Y CB -0.650 37.711 38.460 -0.165 0.000 0.974 926 Y HN 0.266 nan 8.280 nan 0.000 0.511 927 F N 1.026 120.983 119.950 0.013 0.000 2.171 927 F HA -0.224 4.291 4.527 -0.021 0.000 0.300 927 F C 2.201 178.007 175.800 0.010 0.000 1.090 927 F CA 1.569 59.576 58.000 0.011 0.000 1.293 927 F CB -0.429 38.585 39.000 0.023 0.000 1.013 927 F HN 0.049 nan 8.300 nan 0.000 0.486 928 Q N -0.370 119.412 119.800 -0.029 0.000 2.123 928 Q HA -0.117 4.211 4.340 -0.020 0.000 0.199 928 Q C 2.319 178.262 176.000 -0.095 0.000 0.966 928 Q CA 1.728 57.499 55.803 -0.053 0.000 0.845 928 Q CB -0.258 28.584 28.738 0.173 0.000 0.907 928 Q HN 0.372 nan 8.270 nan 0.000 0.439 929 V N 0.105 119.920 119.914 -0.166 0.000 2.453 929 V HA -0.124 3.983 4.120 -0.020 0.000 0.247 929 V C 2.242 178.314 176.094 -0.035 0.000 1.048 929 V CA 1.839 64.043 62.300 -0.160 0.000 1.049 929 V CB -1.050 30.398 31.823 -0.626 0.000 0.672 929 V HN 0.444 nan 8.190 nan 0.000 0.457 930 G N -0.440 108.310 108.800 -0.084 0.000 2.408 930 G HA2 -0.195 3.753 3.960 -0.020 0.000 0.217 930 G HA3 -0.195 3.753 3.960 -0.020 0.000 0.217 930 G C 1.636 176.490 174.900 -0.077 0.000 1.150 930 G CA 0.738 45.824 45.100 -0.023 0.000 0.776 930 G HN 0.411 nan 8.290 nan 0.000 0.542 931 L N -0.124 120.944 121.223 -0.259 0.000 2.043 931 L HA -0.068 4.260 4.340 -0.020 0.000 0.212 931 L C 2.899 179.678 176.870 -0.151 0.000 1.075 931 L CA 1.150 55.812 54.840 -0.296 0.000 0.752 931 L CB -0.173 41.604 42.059 -0.471 0.000 0.891 931 L HN 0.240 nan 8.230 nan 0.000 0.432 932 L N -1.160 119.999 121.223 -0.107 0.000 2.093 932 L HA -0.202 4.125 4.340 -0.020 0.000 0.208 932 L C 2.453 179.296 176.870 -0.045 0.000 1.085 932 L CA 1.529 56.292 54.840 -0.128 0.000 0.755 932 L CB -0.652 41.337 42.059 -0.117 0.000 0.904 932 L HN 0.268 nan 8.230 nan 0.000 0.435 933 T N -1.453 113.208 114.554 0.179 0.000 2.777 933 T HA -0.152 4.186 4.350 -0.020 0.000 0.266 933 T C 1.887 176.700 174.700 0.188 0.000 1.040 933 T CA 1.787 64.073 62.100 0.309 0.000 1.141 933 T CB -0.308 68.759 68.868 0.333 0.000 0.868 933 T HN 0.345 nan 8.240 nan 0.000 0.444 934 T N 2.445 117.077 114.554 0.130 0.000 2.674 934 T HA 0.003 4.340 4.350 -0.020 0.000 0.265 934 T C 2.011 176.748 174.700 0.061 0.000 1.039 934 T CA 1.026 63.191 62.100 0.110 0.000 1.150 934 T CB -0.494 68.409 68.868 0.059 0.000 0.864 934 T HN 0.308 nan 8.240 nan 0.000 0.427 935 I N 1.357 121.928 120.570 0.001 0.000 2.208 935 I HA -0.137 4.020 4.170 -0.020 0.000 0.245 935 I C 2.888 178.993 176.117 -0.020 0.000 1.097 935 I CA 1.314 62.597 61.300 -0.028 0.000 1.363 935 I CB -0.748 37.193 38.000 -0.099 0.000 1.051 935 I HN 0.335 nan 8.210 nan 0.000 0.413 936 G N 0.801 109.584 108.800 -0.027 0.000 2.418 936 G HA2 -0.202 3.746 3.960 -0.020 0.000 0.217 936 G HA3 -0.202 3.746 3.960 -0.020 0.000 0.217 936 G C 1.721 176.655 174.900 0.056 0.000 1.158 936 G CA 0.505 45.608 45.100 0.005 0.000 0.771 936 G HN 0.271 nan 8.290 nan 0.000 0.545 937 L N 0.580 121.849 121.223 0.077 0.000 2.109 937 L HA -0.046 4.282 4.340 -0.020 0.000 0.207 937 L C 3.216 180.121 176.870 0.060 0.000 1.086 937 L CA 0.856 55.734 54.840 0.065 0.000 0.760 937 L CB -0.224 41.887 42.059 0.087 0.000 0.910 937 L HN 0.193 nan 8.230 nan 0.000 0.437 938 S N 0.071 115.812 115.700 0.068 0.000 2.359 938 S HA -0.269 4.189 4.470 -0.020 0.000 0.222 938 S C 2.172 176.815 174.600 0.072 0.000 1.038 938 S CA 1.482 59.728 58.200 0.076 0.000 1.051 938 S CB -0.449 62.799 63.200 0.081 0.000 0.944 938 S HN 0.537 nan 8.310 nan 0.000 0.433 939 A N 1.749 124.605 122.820 0.059 0.000 1.883 939 A HA -0.213 4.095 4.320 -0.020 0.000 0.217 939 A C 1.993 179.611 177.584 0.056 0.000 1.186 939 A CA 2.307 54.380 52.037 0.061 0.000 0.624 939 A CB -0.750 18.274 19.000 0.040 0.000 0.822 939 A HN 0.418 nan 8.150 nan 0.000 0.444 940 K N 0.340 120.764 120.400 0.040 0.000 2.059 940 K HA -0.233 4.075 4.320 -0.020 0.000 0.212 940 K C 1.672 178.280 176.600 0.015 0.000 1.050 940 K CA 2.310 58.612 56.287 0.026 0.000 0.927 940 K CB -0.386 32.124 32.500 0.018 0.000 0.714 940 K HN 0.507 nan 8.250 nan 0.000 0.447 941 N N 0.017 118.726 118.700 0.015 0.000 2.084 941 N HA -0.103 4.625 4.740 -0.020 0.000 0.190 941 N C 1.617 177.127 175.510 -0.000 0.000 1.030 941 N CA 1.606 54.652 53.050 -0.007 0.000 0.849 941 N CB -0.634 37.855 38.487 0.003 0.000 1.012 941 N HN 0.370 nan 8.380 nan 0.000 0.423 942 A N 0.815 123.662 122.820 0.046 0.000 1.969 942 A HA 0.003 4.311 4.320 -0.020 0.000 0.218 942 A C 2.293 179.923 177.584 0.077 0.000 1.169 942 A CA 0.698 52.778 52.037 0.072 0.000 0.635 942 A CB -0.591 18.489 19.000 0.134 0.000 0.810 942 A HN 0.205 nan 8.150 nan 0.000 0.445 943 I N -0.481 120.148 120.570 0.099 0.000 2.179 943 I HA -0.269 3.889 4.170 -0.020 0.000 0.242 943 I C 2.308 178.508 176.117 0.140 0.000 1.088 943 I CA 1.226 62.624 61.300 0.164 0.000 1.357 943 I CB -0.306 37.756 38.000 0.104 0.000 1.051 943 I HN 0.265 nan 8.210 nan 0.000 0.409 944 L N 0.121 121.376 121.223 0.052 0.000 2.141 944 L HA -0.177 4.151 4.340 -0.020 0.000 0.209 944 L C 2.429 179.273 176.870 -0.044 0.000 1.094 944 L CA 1.140 55.990 54.840 0.017 0.000 0.763 944 L CB -0.323 41.678 42.059 -0.096 0.000 0.908 944 L HN 0.223 nan 8.230 nan 0.000 0.437 945 I N -1.154 119.367 120.570 -0.082 0.000 2.142 945 I HA -0.268 3.890 4.170 -0.020 0.000 0.240 945 I C 2.408 178.423 176.117 -0.169 0.000 1.078 945 I CA 1.161 62.382 61.300 -0.133 0.000 1.343 945 I CB -0.274 37.655 38.000 -0.118 0.000 1.046 945 I HN -0.002 nan 8.210 nan 0.000 0.405 946 V N 0.583 120.382 119.914 -0.191 0.000 2.307 946 V HA -0.274 3.834 4.120 -0.020 0.000 0.245 946 V C 2.473 178.432 176.094 -0.225 0.000 1.045 946 V CA 2.004 64.036 62.300 -0.447 0.000 1.024 946 V CB -0.594 31.013 31.823 -0.360 0.000 0.651 946 V HN 0.391 nan 8.190 nan 0.000 0.449 947 E N 0.007 120.279 120.200 0.121 0.000 2.097 947 E HA -0.232 4.105 4.350 -0.020 0.000 0.196 947 E C 1.884 178.564 176.600 0.133 0.000 1.000 947 E CA 1.820 58.359 56.400 0.232 0.000 0.804 947 E CB -0.303 29.555 29.700 0.263 0.000 0.740 947 E HN 0.531 nan 8.360 nan 0.000 0.454 948 F N 0.023 119.918 119.950 -0.092 0.000 2.146 948 F HA 0.023 4.537 4.527 -0.021 0.000 0.298 948 F C 2.285 178.010 175.800 -0.125 0.000 1.096 948 F CA 1.125 59.069 58.000 -0.094 0.000 1.275 948 F CB -0.930 38.017 39.000 -0.089 0.000 1.008 948 F HN 0.123 nan 8.300 nan 0.000 0.480 949 A N -0.166 122.627 122.820 -0.045 0.000 1.902 949 A HA -0.248 4.060 4.320 -0.020 0.000 0.217 949 A C 2.160 179.691 177.584 -0.088 0.000 1.181 949 A CA 2.016 53.958 52.037 -0.159 0.000 0.623 949 A CB -0.691 18.023 19.000 -0.477 0.000 0.818 949 A HN 0.281 nan 8.150 nan 0.000 0.443 950 K N 0.289 120.624 120.400 -0.107 0.000 2.057 950 K HA -0.181 4.127 4.320 -0.020 0.000 0.207 950 K C 1.715 178.315 176.600 0.000 0.000 1.049 950 K CA 2.056 58.364 56.287 0.034 0.000 0.931 950 K CB -0.398 32.140 32.500 0.062 0.000 0.714 950 K HN 0.412 nan 8.250 nan 0.000 0.440 951 D N -0.107 120.266 120.400 -0.046 0.000 2.183 951 D HA -0.073 4.555 4.640 -0.020 0.000 0.203 951 D C 1.792 178.046 176.300 -0.076 0.000 0.969 951 D CA 0.800 54.749 54.000 -0.085 0.000 0.842 951 D CB 0.190 40.886 40.800 -0.173 0.000 0.957 951 D HN 0.276 nan 8.370 nan 0.000 0.484 952 L N 0.043 121.231 121.223 -0.060 0.000 2.291 952 L HA -0.040 4.288 4.340 -0.020 0.000 0.214 952 L C 2.568 179.433 176.870 -0.009 0.000 1.120 952 L CA 0.338 55.158 54.840 -0.033 0.000 0.799 952 L CB -0.103 41.950 42.059 -0.010 0.000 0.925 952 L HN 0.051 nan 8.230 nan 0.000 0.446 953 M N -0.666 118.937 119.600 0.005 0.000 2.191 953 M HA -0.121 4.347 4.480 -0.020 0.000 0.262 953 M C 1.596 177.894 176.300 -0.003 0.000 1.083 953 M CA 1.547 56.857 55.300 0.017 0.000 1.154 953 M CB 0.097 32.727 32.600 0.050 0.000 1.344 953 M HN 0.131 nan 8.290 nan 0.000 0.431 954 D N 0.335 120.728 120.400 -0.013 0.000 2.084 954 D HA -0.111 4.517 4.640 -0.020 0.000 0.199 954 D C 1.702 177.987 176.300 -0.025 0.000 0.981 954 D CA 1.446 55.433 54.000 -0.022 0.000 0.841 954 D CB -0.140 40.644 40.800 -0.028 0.000 0.997 954 D HN 0.245 nan 8.370 nan 0.000 0.454 955 K N -0.137 120.242 120.400 -0.036 0.000 2.323 955 K HA 0.096 4.404 4.320 -0.020 0.000 0.197 955 K C 1.551 178.130 176.600 -0.036 0.000 1.043 955 K CA 0.421 56.684 56.287 -0.039 0.000 0.997 955 K CB 0.559 33.026 32.500 -0.054 0.000 0.807 955 K HN 0.015 nan 8.250 nan 0.000 0.497 956 E N -0.213 119.966 120.200 -0.034 0.000 2.364 956 E HA 0.048 4.385 4.350 -0.020 0.000 0.196 956 E C 0.419 177.010 176.600 -0.015 0.000 0.990 956 E CA 0.405 56.789 56.400 -0.027 0.000 0.886 956 E CB 0.854 30.537 29.700 -0.030 0.000 0.866 956 E HN 0.324 nan 8.360 nan 0.000 0.493 957 G N 2.626 111.419 108.800 -0.011 0.000 2.473 957 G HA2 -0.251 3.697 3.960 -0.020 0.000 0.289 957 G HA3 -0.251 3.697 3.960 -0.020 0.000 0.289 957 G C -0.292 174.608 174.900 0.001 0.000 1.084 957 G CA 0.529 45.626 45.100 -0.004 0.000 1.215 957 G HN 0.029 nan 8.290 nan 0.000 0.527 958 K N -0.351 120.053 120.400 0.007 0.000 2.352 958 K HA 0.800 5.107 4.320 -0.020 0.000 0.240 958 K C 1.076 177.689 176.600 0.021 0.000 1.017 958 K CA 0.211 56.507 56.287 0.014 0.000 0.851 958 K CB 1.378 33.888 32.500 0.016 0.000 1.261 958 K HN 0.606 nan 8.250 nan 0.000 0.451 959 G N 0.367 109.181 108.800 0.024 0.000 2.599 959 G HA2 0.138 4.086 3.960 -0.020 0.000 0.264 959 G HA3 0.138 4.086 3.960 -0.020 0.000 0.264 959 G C 0.534 175.462 174.900 0.047 0.000 1.200 959 G CA -0.334 44.783 45.100 0.028 0.000 0.896 959 G HN 0.537 nan 8.290 nan 0.000 0.536 960 L N 0.710 121.962 121.223 0.048 0.000 2.046 960 L HA -0.075 4.253 4.340 -0.020 0.000 0.208 960 L C 2.501 179.429 176.870 0.096 0.000 1.077 960 L CA 1.811 56.699 54.840 0.079 0.000 0.747 960 L CB -0.488 41.590 42.059 0.032 0.000 0.896 960 L HN 0.550 nan 8.230 nan 0.000 0.432 961 I N -0.672 119.933 120.570 0.058 0.000 2.286 961 I HA -0.174 3.984 4.170 -0.020 0.000 0.245 961 I C 2.440 178.582 176.117 0.043 0.000 1.104 961 I CA 1.120 62.449 61.300 0.048 0.000 1.397 961 I CB -0.850 37.167 38.000 0.027 0.000 1.072 961 I HN 0.259 nan 8.210 nan 0.000 0.417 962 E N 1.111 121.334 120.200 0.037 0.000 2.038 962 E HA -0.277 4.060 4.350 -0.020 0.000 0.195 962 E C 2.408 179.029 176.600 0.035 0.000 1.000 962 E CA 1.638 58.056 56.400 0.031 0.000 0.803 962 E CB -0.260 29.455 29.700 0.025 0.000 0.750 962 E HN 0.533 nan 8.360 nan 0.000 0.448 963 A N 0.897 123.745 122.820 0.047 0.000 1.933 963 A HA -0.187 4.121 4.320 -0.020 0.000 0.218 963 A C 2.388 179.985 177.584 0.021 0.000 1.175 963 A CA 2.291 54.353 52.037 0.041 0.000 0.628 963 A CB -0.969 18.067 19.000 0.059 0.000 0.814 963 A HN 0.424 nan 8.150 nan 0.000 0.444 964 T N -1.152 113.427 114.554 0.042 0.000 2.867 964 T HA -0.026 4.312 4.350 -0.020 0.000 0.268 964 T C 1.777 176.473 174.700 -0.008 0.000 1.057 964 T CA 1.349 63.455 62.100 0.009 0.000 1.136 964 T CB -0.410 68.510 68.868 0.085 0.000 0.874 964 T HN 0.294 nan 8.240 nan 0.000 0.466 965 L N 0.804 122.034 121.223 0.010 0.000 2.072 965 L HA 0.008 4.336 4.340 -0.020 0.000 0.205 965 L C 2.560 179.438 176.870 0.012 0.000 1.079 965 L CA 1.263 56.108 54.840 0.009 0.000 0.752 965 L CB -0.473 41.596 42.059 0.017 0.000 0.906 965 L HN 0.110 nan 8.230 nan 0.000 0.436 966 D N 0.258 120.671 120.400 0.022 0.000 2.117 966 D HA -0.156 4.471 4.640 -0.020 0.000 0.197 966 D C 2.219 178.541 176.300 0.037 0.000 0.987 966 D CA 1.483 55.504 54.000 0.035 0.000 0.829 966 D CB -0.155 40.670 40.800 0.043 0.000 0.961 966 D HN 0.294 nan 8.370 nan 0.000 0.460 967 A N 0.519 123.354 122.820 0.026 0.000 1.858 967 A HA -0.140 4.168 4.320 -0.020 0.000 0.216 967 A C 2.356 179.896 177.584 -0.074 0.000 1.190 967 A CA 1.365 53.413 52.037 0.017 0.000 0.617 967 A CB -1.016 17.977 19.000 -0.013 0.000 0.827 967 A HN 0.183 nan 8.150 nan 0.000 0.443 968 V N -0.037 119.830 119.914 -0.078 0.000 3.026 968 V HA -0.157 3.951 4.120 -0.020 0.000 0.265 968 V C 2.447 178.495 176.094 -0.076 0.000 1.121 968 V CA 2.117 64.357 62.300 -0.099 0.000 1.142 968 V CB -0.780 30.985 31.823 -0.098 0.000 0.730 968 V HN 0.583 nan 8.190 nan 0.000 0.503 969 R N 0.266 120.741 120.500 -0.041 0.000 2.051 969 R HA 0.006 4.334 4.340 -0.020 0.000 0.218 969 R C 2.349 178.629 176.300 -0.034 0.000 1.188 969 R CA 1.685 57.774 56.100 -0.019 0.000 0.992 969 R CB -0.537 29.776 30.300 0.021 0.000 0.883 969 R HN 0.640 nan 8.270 nan 0.000 0.444 970 M N -0.178 119.412 119.600 -0.016 0.000 2.346 970 M HA -0.052 4.416 4.480 -0.020 0.000 0.263 970 M C 1.217 177.464 176.300 -0.089 0.000 1.064 970 M CA 1.655 56.951 55.300 -0.007 0.000 1.083 970 M CB -0.141 32.501 32.600 0.070 0.000 1.399 970 M HN -0.090 nan 8.290 nan 0.000 0.435 971 R N 1.426 121.819 120.500 -0.178 0.000 2.772 971 R HA 0.234 4.562 4.340 -0.020 0.000 0.358 971 R C 0.668 176.846 176.300 -0.204 0.000 1.143 971 R CA -0.142 55.802 56.100 -0.261 0.000 1.153 971 R CB 0.579 30.566 30.300 -0.522 0.000 1.329 971 R HN 0.429 nan 8.270 nan 0.000 0.615 972 L N 0.266 121.407 121.223 -0.137 0.000 2.298 972 L HA 0.102 4.430 4.340 -0.020 0.000 0.209 972 L C 1.994 178.799 176.870 -0.109 0.000 1.084 972 L CA 1.165 55.941 54.840 -0.106 0.000 0.816 972 L CB -0.433 41.586 42.059 -0.066 0.000 0.967 972 L HN 0.402 nan 8.230 nan 0.000 0.460 973 R N 0.556 120.988 120.500 -0.113 0.000 2.094 973 R HA -0.168 4.160 4.340 -0.020 0.000 0.239 973 R C -0.409 175.725 176.300 -0.276 0.000 1.137 973 R CA 2.264 58.273 56.100 -0.151 0.000 0.943 973 R CB -1.208 29.027 30.300 -0.108 0.000 0.850 973 R HN 0.304 nan 8.270 nan 0.000 0.433 974 P HA -0.142 nan 4.420 nan 0.000 0.216 974 P C 1.227 178.405 177.300 -0.204 0.000 1.153 974 P CA 1.084 64.042 63.100 -0.237 0.000 0.848 974 P CB -0.131 31.451 31.700 -0.196 0.000 0.787 975 I N -1.572 118.902 120.570 -0.161 0.000 2.264 975 I HA -0.191 3.967 4.170 -0.020 0.000 0.248 975 I C 2.068 178.134 176.117 -0.084 0.000 1.111 975 I CA 1.526 62.763 61.300 -0.105 0.000 1.382 975 I CB -1.656 36.291 38.000 -0.089 0.000 1.060 975 I HN -0.023 nan 8.210 nan 0.000 0.418 976 L N -0.582 120.572 121.223 -0.115 0.000 2.240 976 L HA -0.023 4.305 4.340 -0.020 0.000 0.211 976 L C 2.552 179.306 176.870 -0.193 0.000 1.106 976 L CA 1.301 56.095 54.840 -0.077 0.000 0.793 976 L CB -0.529 41.534 42.059 0.007 0.000 0.927 976 L HN 0.129 nan 8.230 nan 0.000 0.446 977 M N -1.601 117.746 119.600 -0.421 0.000 2.064 977 M HA -0.186 4.282 4.480 -0.020 0.000 0.260 977 M C 2.215 178.414 176.300 -0.170 0.000 1.073 977 M CA 1.986 56.991 55.300 -0.492 0.000 1.124 977 M CB -0.671 31.574 32.600 -0.593 0.000 1.326 977 M HN 0.154 nan 8.290 nan 0.000 0.410 978 T N 0.142 114.623 114.554 -0.122 0.000 2.635 978 T HA -0.206 4.132 4.350 -0.020 0.000 0.267 978 T C 1.940 176.680 174.700 0.066 0.000 1.040 978 T CA 2.040 64.119 62.100 -0.035 0.000 1.156 978 T CB -0.465 68.374 68.868 -0.048 0.000 0.863 978 T HN 0.402 nan 8.240 nan 0.000 0.430 979 S N 0.667 116.406 115.700 0.064 0.000 2.365 979 S HA -0.126 4.332 4.470 -0.020 0.000 0.221 979 S C 1.996 176.687 174.600 0.151 0.000 1.037 979 S CA 1.404 59.681 58.200 0.129 0.000 1.060 979 S CB -0.589 62.666 63.200 0.093 0.000 0.974 979 S HN 0.308 nan 8.310 nan 0.000 0.427 980 L N 1.586 122.883 121.223 0.124 0.000 2.131 980 L HA 0.157 4.485 4.340 -0.020 0.000 0.210 980 L C 2.455 179.425 176.870 0.167 0.000 1.092 980 L CA 1.910 56.844 54.840 0.156 0.000 0.759 980 L CB -1.147 41.041 42.059 0.215 0.000 0.903 980 L HN 0.381 nan 8.230 nan 0.000 0.435 981 A N -1.317 121.598 122.820 0.159 0.000 1.930 981 A HA -0.217 4.090 4.320 -0.020 0.000 0.217 981 A C 2.186 179.919 177.584 0.247 0.000 1.175 981 A CA 1.649 53.791 52.037 0.175 0.000 0.627 981 A CB -0.904 18.172 19.000 0.126 0.000 0.815 981 A HN 0.464 nan 8.150 nan 0.000 0.443 982 F N 0.439 120.423 119.950 0.056 0.000 2.149 982 F HA 0.029 4.543 4.527 -0.021 0.000 0.294 982 F C 1.971 177.810 175.800 0.064 0.000 1.095 982 F CA 0.593 58.627 58.000 0.057 0.000 1.276 982 F CB -0.520 38.509 39.000 0.048 0.000 1.023 982 F HN 0.150 nan 8.300 nan 0.000 0.480 983 I N -0.209 120.385 120.570 0.040 0.000 2.127 983 I HA -0.341 3.817 4.170 -0.020 0.000 0.241 983 I C 2.437 178.543 176.117 -0.018 0.000 1.075 983 I CA 1.408 62.668 61.300 -0.066 0.000 1.334 983 I CB -0.615 37.388 38.000 0.005 0.000 1.040 983 I HN 0.093 nan 8.210 nan 0.000 0.405 984 L N 0.341 121.600 121.223 0.060 0.000 2.191 984 L HA -0.131 4.196 4.340 -0.020 0.000 0.212 984 L C 2.522 179.439 176.870 0.078 0.000 1.103 984 L CA 1.344 56.229 54.840 0.075 0.000 0.769 984 L CB -0.755 41.370 42.059 0.110 0.000 0.908 984 L HN 0.324 nan 8.230 nan 0.000 0.438 985 G N -1.288 107.575 108.800 0.105 0.000 2.422 985 G HA2 -0.157 3.791 3.960 -0.020 0.000 0.218 985 G HA3 -0.157 3.791 3.960 -0.020 0.000 0.218 985 G C 1.411 176.353 174.900 0.071 0.000 1.140 985 G CA 0.548 45.727 45.100 0.131 0.000 0.775 985 G HN 0.224 nan 8.290 nan 0.000 0.545 986 V N 0.581 120.474 119.914 -0.035 0.000 3.623 986 V HA 0.066 4.174 4.120 -0.020 0.000 0.271 986 V C 2.373 178.441 176.094 -0.043 0.000 1.248 986 V CA 0.989 63.235 62.300 -0.091 0.000 1.156 986 V CB 0.251 31.886 31.823 -0.313 0.000 0.870 986 V HN 0.351 nan 8.190 nan 0.000 0.453 987 M N 1.694 121.287 119.600 -0.012 0.000 2.082 987 M HA -0.116 4.352 4.480 -0.020 0.000 0.258 987 M C -0.440 175.868 176.300 0.014 0.000 1.069 987 M CA 2.613 57.916 55.300 0.005 0.000 1.102 987 M CB -1.263 31.352 32.600 0.026 0.000 1.336 987 M HN 0.203 nan 8.290 nan 0.000 0.404 988 P HA -0.071 nan 4.420 nan 0.000 0.221 988 P C 1.529 178.845 177.300 0.026 0.000 1.150 988 P CA 1.170 64.287 63.100 0.029 0.000 0.800 988 P CB -0.215 31.506 31.700 0.035 0.000 0.787 989 L N -1.330 119.909 121.223 0.026 0.000 2.141 989 L HA -0.104 4.224 4.340 -0.020 0.000 0.209 989 L C 2.192 179.060 176.870 -0.003 0.000 1.094 989 L CA 1.041 55.894 54.840 0.022 0.000 0.763 989 L CB -0.846 41.228 42.059 0.025 0.000 0.908 989 L HN -0.132 nan 8.230 nan 0.000 0.437 990 V N -0.313 119.596 119.914 -0.007 0.000 2.515 990 V HA -0.222 3.886 4.120 -0.020 0.000 0.250 990 V C 2.263 178.361 176.094 0.007 0.000 1.058 990 V CA 1.106 63.403 62.300 -0.006 0.000 1.064 990 V CB -0.293 31.525 31.823 -0.009 0.000 0.675 990 V HN 0.228 nan 8.190 nan 0.000 0.461 991 I N -0.616 119.962 120.570 0.013 0.000 2.558 991 I HA 0.055 4.213 4.170 -0.020 0.000 0.229 991 I C 1.286 177.416 176.117 0.022 0.000 1.060 991 I CA 1.188 62.501 61.300 0.021 0.000 1.396 991 I CB -1.146 36.870 38.000 0.025 0.000 1.207 991 I HN 0.462 nan 8.210 nan 0.000 0.423 992 S N 0.881 116.595 115.700 0.023 0.000 3.441 992 S HA -0.143 4.315 4.470 -0.020 0.000 0.521 992 S C -0.114 174.502 174.600 0.027 0.000 0.703 992 S CA 0.264 58.478 58.200 0.022 0.000 1.346 992 S CB -0.779 62.432 63.200 0.019 0.000 1.241 992 S HN 0.513 nan 8.310 nan 0.000 0.764 993 T N 4.356 118.928 114.554 0.031 0.000 2.963 993 T HA 0.697 5.035 4.350 -0.020 0.000 0.343 993 T C 0.665 175.389 174.700 0.040 0.000 1.146 993 T CA 0.095 62.222 62.100 0.046 0.000 1.016 993 T CB 1.041 69.943 68.868 0.057 0.000 1.046 993 T HN 1.495 nan 8.240 nan 0.000 0.496 994 G N 1.693 110.505 108.800 0.020 0.000 2.350 994 G HA2 0.507 4.455 3.960 -0.020 0.000 0.276 994 G HA3 0.507 4.455 3.960 -0.020 0.000 0.276 994 G C -0.977 173.801 174.900 -0.203 0.000 1.313 994 G CA -0.422 44.641 45.100 -0.062 0.000 0.903 994 G HN 0.767 nan 8.290 nan 0.000 0.490 995 A N -0.694 121.788 122.820 -0.563 0.000 2.531 995 A HA 0.567 4.875 4.320 -0.020 0.000 0.236 995 A C 1.852 179.320 177.584 -0.193 0.000 1.062 995 A CA 2.002 53.677 52.037 -0.603 0.000 0.760 995 A CB -0.428 17.979 19.000 -0.989 0.000 0.995 995 A HN 2.863 nan 8.150 nan 0.000 0.501 996 G N 1.263 110.120 108.800 0.096 0.000 2.179 996 G HA2 -0.279 3.669 3.960 -0.020 0.000 0.257 996 G HA3 -0.279 3.669 3.960 -0.020 0.000 0.257 996 G C 1.182 176.131 174.900 0.081 0.000 1.010 996 G CA 1.414 46.594 45.100 0.133 0.000 0.736 996 G HN 2.158 nan 8.290 nan 0.000 0.513 997 S N -0.787 114.942 115.700 0.048 0.000 2.402 997 S HA 0.104 4.562 4.470 -0.020 0.000 0.229 997 S C 2.534 177.138 174.600 0.006 0.000 1.021 997 S CA 1.470 59.685 58.200 0.025 0.000 0.974 997 S CB -0.568 62.648 63.200 0.026 0.000 0.800 997 S HN 1.530 nan 8.310 nan 0.000 0.484 998 G N 1.616 110.434 108.800 0.030 0.000 2.446 998 G HA2 -0.018 3.929 3.960 -0.020 0.000 0.217 998 G HA3 -0.018 3.929 3.960 -0.020 0.000 0.217 998 G C 1.703 176.549 174.900 -0.091 0.000 1.168 998 G CA 1.000 46.105 45.100 0.009 0.000 0.771 998 G HN 0.817 nan 8.290 nan 0.000 0.551 999 A N 0.220 122.945 122.820 -0.159 0.000 1.873 999 A HA -0.055 4.253 4.320 -0.020 0.000 0.215 999 A C 2.341 179.499 177.584 -0.709 0.000 1.186 999 A CA 1.869 53.519 52.037 -0.644 0.000 0.616 999 A CB -0.471 18.220 19.000 -0.515 0.000 0.823 999 A HN 0.439 nan 8.150 nan 0.000 0.442 1000 Q N -0.295 119.332 119.800 -0.288 0.000 2.096 1000 Q HA -0.210 4.118 4.340 -0.020 0.000 0.204 1000 Q C 1.849 177.740 176.000 -0.182 0.000 0.982 1000 Q CA 1.813 57.507 55.803 -0.181 0.000 0.850 1000 Q CB -0.331 28.434 28.738 0.045 0.000 0.901 1000 Q HN 0.814 nan 8.270 nan 0.000 0.422 1001 N N 0.090 118.714 118.700 -0.127 0.000 2.270 1001 N HA -0.077 4.650 4.740 -0.020 0.000 0.181 1001 N C 1.679 177.140 175.510 -0.081 0.000 1.016 1001 N CA 0.613 53.619 53.050 -0.074 0.000 0.870 1001 N CB -0.022 38.446 38.487 -0.032 0.000 0.979 1001 N HN 0.171 nan 8.380 nan 0.000 0.431 1002 A N 0.648 123.386 122.820 -0.137 0.000 1.968 1002 A HA -0.024 4.284 4.320 -0.020 0.000 0.217 1002 A C 2.325 179.886 177.584 -0.038 0.000 1.169 1002 A CA 0.845 52.846 52.037 -0.060 0.000 0.638 1002 A CB -0.423 18.555 19.000 -0.036 0.000 0.812 1002 A HN 0.065 nan 8.150 nan 0.000 0.446 1003 V N -0.278 119.504 119.914 -0.220 0.000 2.283 1003 V HA -0.114 3.994 4.120 -0.020 0.000 0.243 1003 V C 2.833 178.880 176.094 -0.078 0.000 1.039 1003 V CA 1.980 64.168 62.300 -0.186 0.000 1.016 1003 V CB -1.380 30.178 31.823 -0.443 0.000 0.650 1003 V HN 0.561 nan 8.190 nan 0.000 0.449 1004 G N -0.363 108.384 108.800 -0.088 0.000 2.414 1004 G HA2 -0.225 3.723 3.960 -0.020 0.000 0.215 1004 G HA3 -0.225 3.723 3.960 -0.020 0.000 0.215 1004 G C 1.702 176.581 174.900 -0.034 0.000 1.188 1004 G CA 1.552 46.614 45.100 -0.064 0.000 0.783 1004 G HN 0.461 nan 8.290 nan 0.000 0.537 1005 T N 1.167 115.723 114.554 0.004 0.000 2.622 1005 T HA -0.092 4.245 4.350 -0.020 0.000 0.266 1005 T C 2.501 177.257 174.700 0.094 0.000 1.047 1005 T CA 1.644 63.768 62.100 0.040 0.000 1.159 1005 T CB -0.850 68.048 68.868 0.049 0.000 0.863 1005 T HN 0.355 nan 8.240 nan 0.000 0.422 1006 G N 0.726 109.640 108.800 0.189 0.000 2.450 1006 G HA2 -0.155 3.792 3.960 -0.020 0.000 0.220 1006 G HA3 -0.155 3.792 3.960 -0.020 0.000 0.220 1006 G C 1.686 176.637 174.900 0.087 0.000 1.130 1006 G CA 0.881 46.161 45.100 0.299 0.000 0.760 1006 G HN 0.438 nan 8.290 nan 0.000 0.557 1007 V N 0.756 120.677 119.914 0.013 0.000 2.255 1007 V HA -0.130 3.978 4.120 -0.020 0.000 0.243 1007 V C 2.618 178.668 176.094 -0.074 0.000 1.038 1007 V CA 2.065 64.334 62.300 -0.052 0.000 1.008 1007 V CB -0.436 31.307 31.823 -0.133 0.000 0.645 1007 V HN 0.477 nan 8.190 nan 0.000 0.449 1008 M N 0.602 120.146 119.600 -0.092 0.000 2.084 1008 M HA -0.142 4.326 4.480 -0.020 0.000 0.259 1008 M C 2.133 178.423 176.300 -0.016 0.000 1.072 1008 M CA 2.644 57.895 55.300 -0.080 0.000 1.107 1008 M CB -0.845 31.713 32.600 -0.069 0.000 1.299 1008 M HN 0.387 nan 8.290 nan 0.000 0.413 1009 G N -0.926 107.882 108.800 0.013 0.000 2.469 1009 G HA2 -0.214 3.734 3.960 -0.020 0.000 0.220 1009 G HA3 -0.214 3.734 3.960 -0.020 0.000 0.220 1009 G C 1.382 176.316 174.900 0.058 0.000 1.136 1009 G CA 1.050 46.172 45.100 0.036 0.000 0.759 1009 G HN 0.659 nan 8.290 nan 0.000 0.562 1010 G N 0.372 109.209 108.800 0.062 0.000 2.421 1010 G HA2 -0.168 3.780 3.960 -0.020 0.000 0.216 1010 G HA3 -0.168 3.780 3.960 -0.020 0.000 0.216 1010 G C 1.830 176.770 174.900 0.068 0.000 1.171 1010 G CA 1.048 46.186 45.100 0.063 0.000 0.775 1010 G HN 0.292 nan 8.290 nan 0.000 0.543 1011 M N 0.360 119.994 119.600 0.056 0.000 2.175 1011 M HA 0.011 4.479 4.480 -0.020 0.000 0.264 1011 M C 2.777 179.126 176.300 0.081 0.000 1.063 1011 M CA 0.638 55.987 55.300 0.081 0.000 1.119 1011 M CB -0.800 31.841 32.600 0.070 0.000 1.377 1011 M HN 0.116 nan 8.290 nan 0.000 0.415 1012 V N 0.795 120.746 119.914 0.062 0.000 2.255 1012 V HA -0.290 3.818 4.120 -0.020 0.000 0.247 1012 V C 2.657 178.806 176.094 0.091 0.000 1.051 1012 V CA 2.471 64.812 62.300 0.068 0.000 1.018 1012 V CB -1.392 30.457 31.823 0.043 0.000 0.641 1012 V HN 0.599 nan 8.190 nan 0.000 0.445 1013 T N -1.032 113.577 114.554 0.093 0.000 2.732 1013 T HA -0.103 4.235 4.350 -0.020 0.000 0.261 1013 T C 2.029 176.812 174.700 0.137 0.000 1.040 1013 T CA 1.403 63.574 62.100 0.118 0.000 1.145 1013 T CB -0.749 68.186 68.868 0.112 0.000 0.866 1013 T HN 0.471 nan 8.240 nan 0.000 0.427 1014 A N 2.340 125.233 122.820 0.121 0.000 1.915 1014 A HA -0.212 4.096 4.320 -0.020 0.000 0.220 1014 A C 2.761 180.422 177.584 0.129 0.000 1.198 1014 A CA 3.434 55.547 52.037 0.126 0.000 0.647 1014 A CB -1.721 17.344 19.000 0.109 0.000 0.825 1014 A HN 0.827 nan 8.150 nan 0.000 0.456 1015 T N -3.591 111.031 114.554 0.114 0.000 2.894 1015 T HA 0.063 4.401 4.350 -0.020 0.000 0.258 1015 T C 1.192 175.949 174.700 0.094 0.000 1.043 1015 T CA 1.189 63.345 62.100 0.093 0.000 1.141 1015 T CB -0.482 68.439 68.868 0.088 0.000 0.873 1015 T HN 0.210 nan 8.240 nan 0.000 0.449 1016 V N 0.989 120.981 119.914 0.129 0.000 3.415 1016 V HA 0.384 4.492 4.120 -0.020 0.000 0.325 1016 V C 1.375 177.613 176.094 0.240 0.000 1.313 1016 V CA 0.293 62.692 62.300 0.165 0.000 1.228 1016 V CB -0.483 31.445 31.823 0.175 0.000 1.131 1016 V HN 0.284 nan 8.190 nan 0.000 0.433 1017 L N -0.268 121.098 121.223 0.238 0.000 2.758 1017 L HA 0.474 4.802 4.340 -0.020 0.000 0.234 1017 L C 2.337 179.436 176.870 0.381 0.000 1.049 1017 L CA 1.548 56.608 54.840 0.367 0.000 0.908 1017 L CB -0.223 42.048 42.059 0.354 0.000 1.362 1017 L HN 0.153 nan 8.230 nan 0.000 0.499 1018 A N 0.646 123.608 122.820 0.237 0.000 1.933 1018 A HA -0.153 4.154 4.320 -0.020 0.000 0.218 1018 A C 1.967 179.557 177.584 0.009 0.000 1.175 1018 A CA 1.780 53.922 52.037 0.176 0.000 0.628 1018 A CB -1.014 18.071 19.000 0.141 0.000 0.814 1018 A HN 0.534 nan 8.150 nan 0.000 0.444 1019 I N -5.005 115.486 120.570 -0.131 0.000 3.164 1019 I HA -0.025 4.133 4.170 -0.020 0.000 0.278 1019 I C 1.298 176.971 176.117 -0.740 0.000 1.320 1019 I CA 1.239 62.296 61.300 -0.405 0.000 1.422 1019 I CB -0.395 37.326 38.000 -0.465 0.000 1.066 1019 I HN 0.216 nan 8.210 nan 0.000 0.503 1020 F N -1.168 118.688 119.950 -0.157 0.000 2.729 1020 F HA 0.307 4.821 4.527 -0.020 0.000 0.304 1020 F C 1.655 177.170 175.800 -0.474 0.000 1.008 1020 F CA -0.138 57.659 58.000 -0.338 0.000 1.188 1020 F CB -0.134 38.602 39.000 -0.439 0.000 0.980 1020 F HN -0.146 nan 8.300 nan 0.000 0.627 1021 F N -0.056 119.800 119.950 -0.157 0.000 2.335 1021 F HA -0.053 4.462 4.527 -0.020 0.000 0.296 1021 F C 2.122 177.279 175.800 -1.072 0.000 1.091 1021 F CA 0.576 58.210 58.000 -0.610 0.000 1.399 1021 F CB -0.228 38.424 39.000 -0.580 0.000 1.067 1021 F HN -0.294 nan 8.300 nan 0.000 0.520 1022 V N 0.763 120.475 119.914 -0.336 0.000 2.343 1022 V HA -0.198 3.910 4.120 -0.020 0.000 0.247 1022 V C -0.535 175.539 176.094 -0.033 0.000 1.051 1022 V CA 1.732 63.989 62.300 -0.071 0.000 1.036 1022 V CB -1.855 30.010 31.823 0.071 0.000 0.654 1022 V HN 0.167 nan 8.190 nan 0.000 0.451 1023 P HA -0.120 nan 4.420 nan 0.000 0.215 1023 P C 1.984 179.279 177.300 -0.009 0.000 1.153 1023 P CA 1.318 64.396 63.100 -0.036 0.000 0.853 1023 P CB -0.103 31.545 31.700 -0.087 0.000 0.788 1024 V N -1.127 118.709 119.914 -0.131 0.000 2.287 1024 V HA -0.261 3.847 4.120 -0.020 0.000 0.248 1024 V C 2.218 178.359 176.094 0.079 0.000 1.053 1024 V CA 1.830 64.078 62.300 -0.087 0.000 1.027 1024 V CB -1.367 30.363 31.823 -0.155 0.000 0.646 1024 V HN 0.052 nan 8.190 nan 0.000 0.447 1025 F N -1.037 118.977 119.950 0.106 0.000 2.069 1025 F HA -0.273 4.242 4.527 -0.020 0.000 0.298 1025 F C 2.327 178.194 175.800 0.113 0.000 1.113 1025 F CA 2.005 60.052 58.000 0.079 0.000 1.214 1025 F CB -0.575 38.465 39.000 0.067 0.000 0.978 1025 F HN 0.159 nan 8.300 nan 0.000 0.474 1026 F N 0.910 120.966 119.950 0.177 0.000 2.126 1026 F HA -0.206 4.309 4.527 -0.020 0.000 0.299 1026 F C 2.172 178.002 175.800 0.050 0.000 1.096 1026 F CA 1.246 59.289 58.000 0.071 0.000 1.255 1026 F CB -0.650 38.360 39.000 0.017 0.000 0.997 1026 F HN -0.292 nan 8.300 nan 0.000 0.479 1027 V N -0.753 119.222 119.914 0.102 0.000 2.427 1027 V HA -0.263 3.845 4.120 -0.020 0.000 0.248 1027 V C 2.330 178.413 176.094 -0.017 0.000 1.051 1027 V CA 1.546 63.847 62.300 0.001 0.000 1.048 1027 V CB -0.715 31.139 31.823 0.052 0.000 0.666 1027 V HN 0.236 nan 8.190 nan 0.000 0.456 1028 V N -0.399 119.543 119.914 0.046 0.000 2.358 1028 V HA -0.180 3.928 4.120 -0.020 0.000 0.246 1028 V C 2.376 178.486 176.094 0.026 0.000 1.047 1028 V CA 1.739 64.071 62.300 0.054 0.000 1.035 1028 V CB -0.365 31.523 31.823 0.109 0.000 0.658 1028 V HN 0.405 nan 8.190 nan 0.000 0.452 1029 V N -0.539 119.386 119.914 0.017 0.000 2.379 1029 V HA -0.109 3.999 4.120 -0.020 0.000 0.245 1029 V C 2.662 178.720 176.094 -0.061 0.000 1.044 1029 V CA 1.434 63.745 62.300 0.018 0.000 1.036 1029 V CB -0.707 31.159 31.823 0.072 0.000 0.664 1029 V HN 0.371 nan 8.190 nan 0.000 0.453 1030 R N 0.707 121.057 120.500 -0.250 0.000 2.148 1030 R HA 0.009 4.336 4.340 -0.020 0.000 0.227 1030 R C 1.617 177.852 176.300 -0.109 0.000 1.103 1030 R CA 0.723 56.632 56.100 -0.318 0.000 0.983 1030 R CB -0.465 29.444 30.300 -0.652 0.000 0.874 1030 R HN 0.491 nan 8.270 nan 0.000 0.451 1031 R N 1.039 121.502 120.500 -0.061 0.000 4.624 1031 R HA 0.117 4.444 4.340 -0.020 0.000 0.214 1031 R C -0.063 176.260 176.300 0.038 0.000 2.026 1031 R CA 0.170 56.269 56.100 -0.003 0.000 1.676 1031 R CB 0.027 30.325 30.300 -0.003 0.000 1.291 1031 R HN -0.074 nan 8.270 nan 0.000 0.739 1032 R N 0.426 120.975 120.500 0.080 0.000 2.568 1032 R HA 0.207 4.535 4.340 -0.020 0.000 0.232 1032 R C -1.570 174.838 176.300 0.179 0.000 1.412 1032 R CA -0.177 55.985 56.100 0.103 0.000 1.492 1032 R CB 0.363 30.719 30.300 0.093 0.000 1.441 1032 R HN 0.104 nan 8.270 nan 0.000 0.768 1033 F N 0.000 119.953 119.950 0.005 0.000 2.286 1033 F HA 0.000 4.515 4.527 -0.021 0.000 0.279 1033 F CA 0.000 58.009 58.000 0.014 0.000 1.383 1033 F CB 0.000 38.997 39.000 -0.006 0.000 1.145 1033 F HN 0.000 nan 8.300 nan 0.000 0.574