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_C DATA FIRST_RESID 2 DATA SEQUENCE PNFFIDRPIF AWVIAIIIML AGGLAILKLP VAQYPTIAPP AVTISASYPG DATA SEQUENCE ADAKTVQDTV TQVIEQNMNG IDNLMYMSSN SDSTGTVQIT LTFESGTDAD DATA SEQUENCE IAQVQVQNKL QLAMPLLPQE VQQQGVSVEK SSSSFLMVVG VINTDGTMTQ DATA SEQUENCE EDISDYVAAN MKDAISRTSG VGDVQLFGSQ YAMRIWMNPN ELNKFQLTPV DATA SEQUENCE DVITAIKAQN AQVAAGQLGG TPPVKGQQLN ASIIAQTRLT STEEFGKILL DATA SEQUENCE KVNQDGSRVL LRDVAKIELG GENYDIIAEF NGQPASGLGI KLATGANALD DATA SEQUENCE TAAAIRAELA KMEPFFPSGL KIVYPYDTTP FVKISIHEVV KTLVEAIILV DATA SEQUENCE FLVMYLFLQN FRATLIPTIA VPVVLLGTFA VLAAFGFSIN TLTMFGMVLA DATA SEQUENCE IGLLVDDAIV VVENVERVMA EEGLPPKEAT RKSMGQIQGA LVGIAMVLSA DATA SEQUENCE VFVPMAFFGG STGAIYRQFS ITIVSAMALS VLVALILTPA LCATMLKPIA DATA SEQUENCE KGDHGEGKKG FFGWFNRMFE KSTHHYTDSV GGILRSTGRY LVLYLIIVVG DATA SEQUENCE MAYLFVRLPS SFLPDEDQGV FMTMVQLPAG ATQERTQKVL NEVTHYYLTK DATA SEQUENCE EKNNVESVFA VNGFGFAGRG QNTGIAFVSL KDWADRPGEE NKVEAITMRA DATA SEQUENCE TRAFSQIKDA MVFAFNLPAI VELGTATGFD FELIDQAGLG HEKLTQARNQ DATA SEQUENCE LLAEAAKHPD MLTSVRPNGL EDTPQFKIDI DQEKAQALGV SINDINTTLG DATA SEQUENCE AAWGGSYVND FIDRGRVKKV YVMSEAKYRM LPDDIGDWYV RAADGQMVPF DATA SEQUENCE SAFSSSRWEY GSPRLERYNG LPSMEILGQA APGKSTGEAM ELMEQLASKL DATA SEQUENCE PTGVGYDWTG MSYQERLSGN QAPSLYAISL IVVFLCLAAL YESWSIPFSV DATA SEQUENCE MLVVPLGVIG ALLAATFRGL TNDVYFQVGL LTTIGLSAKN AILIVEFAKD DATA SEQUENCE LMDKEGKGLI EATLDAVRMR LRPILMTSLA FILGVMPLVI STGAGSGAQN DATA SEQUENCE AVGTGVMGGM VTATVLAIFF VPVFFVVVRR RF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.387 177.300 0.145 0.000 1.155 2 P CA 0.000 63.154 63.100 0.089 0.000 0.800 2 P CB 0.000 31.721 31.700 0.036 0.000 0.726 3 N N 0.119 118.924 118.700 0.175 0.000 2.290 3 N HA 0.003 4.727 4.740 -0.027 0.000 0.179 3 N C 1.487 177.007 175.510 0.017 0.000 1.016 3 N CA 0.963 54.037 53.050 0.039 0.000 0.871 3 N CB -0.676 37.749 38.487 -0.103 0.000 0.987 3 N HN 0.167 nan 8.380 nan 0.000 0.431 4 F N 1.076 121.057 119.950 0.052 0.000 2.171 4 F HA -0.005 4.506 4.527 -0.027 0.000 0.300 4 F C 2.213 178.047 175.800 0.057 0.000 1.090 4 F CA 0.500 58.526 58.000 0.044 0.000 1.293 4 F CB -0.820 38.205 39.000 0.043 0.000 1.013 4 F HN -0.082 nan 8.300 nan 0.000 0.486 5 F N 1.384 121.421 119.950 0.145 0.000 2.091 5 F HA -0.192 4.319 4.527 -0.027 0.000 0.299 5 F C 1.757 177.551 175.800 -0.010 0.000 1.103 5 F CA 1.456 59.478 58.000 0.036 0.000 1.228 5 F CB -0.408 38.576 39.000 -0.026 0.000 0.984 5 F HN -0.157 nan 8.300 nan 0.000 0.477 6 I N 0.731 121.324 120.570 0.038 0.000 3.780 6 I HA -0.000 4.154 4.170 -0.027 0.000 0.312 6 I C 0.055 176.118 176.117 -0.090 0.000 1.377 6 I CA 0.374 61.632 61.300 -0.070 0.000 1.224 6 I CB -1.149 36.874 38.000 0.039 0.000 1.110 6 I HN 0.066 nan 8.210 nan 0.000 0.418 7 D N 1.715 122.048 120.400 -0.110 0.000 2.336 7 D HA 0.080 4.704 4.640 -0.027 0.000 0.228 7 D C 0.587 176.831 176.300 -0.093 0.000 1.120 7 D CA 0.223 54.173 54.000 -0.082 0.000 0.839 7 D CB 0.162 40.928 40.800 -0.056 0.000 0.932 7 D HN 0.271 nan 8.370 nan 0.000 0.509 8 R N 1.239 121.645 120.500 -0.157 0.000 2.235 8 R HA 0.192 4.516 4.340 -0.027 0.000 0.338 8 R C -1.499 174.800 176.300 -0.002 0.000 1.087 8 R CA -1.120 54.916 56.100 -0.107 0.000 0.948 8 R CB 1.090 31.256 30.300 -0.222 0.000 1.099 8 R HN 0.001 nan 8.270 nan 0.000 0.483 9 P HA -0.080 nan 4.420 nan 0.000 0.222 9 P C 0.853 178.271 177.300 0.197 0.000 1.153 9 P CA 0.952 64.108 63.100 0.093 0.000 0.798 9 P CB 0.295 32.064 31.700 0.115 0.000 0.796 10 I N -1.639 119.050 120.570 0.198 0.000 2.286 10 I HA -0.154 4.000 4.170 -0.027 0.000 0.245 10 I C 2.489 178.744 176.117 0.230 0.000 1.104 10 I CA 1.054 62.489 61.300 0.225 0.000 1.397 10 I CB -0.737 37.335 38.000 0.120 0.000 1.072 10 I HN -0.212 nan 8.210 nan 0.000 0.417 11 F N 1.393 121.397 119.950 0.089 0.000 2.095 11 F HA -0.344 4.167 4.527 -0.027 0.000 0.298 11 F C 2.605 178.460 175.800 0.091 0.000 1.104 11 F CA 1.529 59.586 58.000 0.095 0.000 1.232 11 F CB -0.148 38.908 39.000 0.093 0.000 0.987 11 F HN 0.048 nan 8.300 nan 0.000 0.475 12 A N -0.446 122.556 122.820 0.303 0.000 1.892 12 A HA -0.302 4.002 4.320 -0.027 0.000 0.218 12 A C 2.008 179.618 177.584 0.043 0.000 1.188 12 A CA 1.959 54.054 52.037 0.096 0.000 0.631 12 A CB -1.686 17.265 19.000 -0.081 0.000 0.822 12 A HN 0.679 nan 8.150 nan 0.000 0.447 13 W N -0.543 120.813 121.300 0.093 0.000 2.388 13 W HA -0.106 4.538 4.660 -0.027 0.000 0.294 13 W C 2.326 178.871 176.519 0.044 0.000 1.212 13 W CA 1.139 58.517 57.345 0.055 0.000 1.271 13 W CB -0.221 29.258 29.460 0.031 0.000 1.126 13 W HN 0.153 nan 8.180 nan 0.000 0.535 14 V N 0.621 120.694 119.914 0.265 0.000 2.295 14 V HA -0.323 3.781 4.120 -0.027 0.000 0.246 14 V C 1.883 178.058 176.094 0.134 0.000 1.049 14 V CA 1.759 64.136 62.300 0.129 0.000 1.024 14 V CB -0.803 30.996 31.823 -0.040 0.000 0.648 14 V HN 0.158 nan 8.190 nan 0.000 0.447 15 I N 0.453 121.131 120.570 0.180 0.000 2.286 15 I HA -0.240 3.914 4.170 -0.027 0.000 0.248 15 I C 2.615 178.805 176.117 0.122 0.000 1.115 15 I CA 1.507 62.907 61.300 0.168 0.000 1.392 15 I CB -0.567 37.559 38.000 0.210 0.000 1.065 15 I HN 0.298 nan 8.210 nan 0.000 0.418 16 A N 0.841 123.731 122.820 0.116 0.000 1.930 16 A HA -0.105 4.199 4.320 -0.027 0.000 0.217 16 A C 2.278 179.954 177.584 0.153 0.000 1.175 16 A CA 1.253 53.349 52.037 0.098 0.000 0.627 16 A CB -0.602 18.410 19.000 0.020 0.000 0.815 16 A HN 0.357 nan 8.150 nan 0.000 0.443 17 I N -0.380 120.307 120.570 0.195 0.000 2.193 17 I HA -0.213 3.941 4.170 -0.027 0.000 0.240 17 I C 2.275 178.453 176.117 0.102 0.000 1.084 17 I CA 1.148 62.545 61.300 0.161 0.000 1.365 17 I CB -0.332 37.758 38.000 0.150 0.000 1.064 17 I HN 0.280 nan 8.210 nan 0.000 0.410 18 I N 0.853 121.477 120.570 0.089 0.000 2.118 18 I HA -0.349 3.805 4.170 -0.027 0.000 0.241 18 I C 2.521 178.681 176.117 0.071 0.000 1.070 18 I CA 1.789 63.130 61.300 0.068 0.000 1.327 18 I CB -0.412 37.627 38.000 0.064 0.000 1.034 18 I HN 0.161 nan 8.210 nan 0.000 0.405 19 I N 0.138 120.756 120.570 0.080 0.000 2.118 19 I HA -0.384 3.770 4.170 -0.027 0.000 0.241 19 I C 2.705 178.871 176.117 0.080 0.000 1.070 19 I CA 1.849 63.195 61.300 0.078 0.000 1.327 19 I CB -0.294 37.751 38.000 0.074 0.000 1.034 19 I HN 0.269 nan 8.210 nan 0.000 0.405 20 M N -0.290 119.361 119.600 0.085 0.000 2.117 20 M HA -0.247 4.217 4.480 -0.027 0.000 0.262 20 M C 2.428 178.764 176.300 0.060 0.000 1.065 20 M CA 1.794 57.143 55.300 0.081 0.000 1.114 20 M CB -0.330 32.325 32.600 0.092 0.000 1.361 20 M HN 0.295 nan 8.290 nan 0.000 0.408 21 L N -0.059 121.196 121.223 0.054 0.000 2.083 21 L HA -0.157 4.166 4.340 -0.027 0.000 0.209 21 L C 2.609 179.497 176.870 0.030 0.000 1.083 21 L CA 1.290 56.150 54.840 0.034 0.000 0.752 21 L CB -0.327 41.752 42.059 0.032 0.000 0.899 21 L HN 0.254 nan 8.230 nan 0.000 0.433 22 A N -0.521 122.325 122.820 0.045 0.000 1.930 22 A HA -0.099 4.205 4.320 -0.027 0.000 0.217 22 A C 2.278 179.894 177.584 0.054 0.000 1.175 22 A CA 1.428 53.494 52.037 0.048 0.000 0.627 22 A CB -1.246 17.791 19.000 0.062 0.000 0.815 22 A HN 0.505 nan 8.150 nan 0.000 0.443 23 G N -0.477 108.364 108.800 0.068 0.000 2.418 23 G HA2 0.043 3.987 3.960 -0.027 0.000 0.217 23 G HA3 0.043 3.987 3.960 -0.027 0.000 0.217 23 G C 1.515 176.402 174.900 -0.021 0.000 1.158 23 G CA 1.236 46.387 45.100 0.085 0.000 0.771 23 G HN 0.667 nan 8.290 nan 0.000 0.545 24 G N 0.893 109.675 108.800 -0.031 0.000 2.421 24 G HA2 -0.116 3.828 3.960 -0.027 0.000 0.216 24 G HA3 -0.116 3.828 3.960 -0.027 0.000 0.216 24 G C 1.666 176.518 174.900 -0.079 0.000 1.171 24 G CA 0.820 45.873 45.100 -0.078 0.000 0.775 24 G HN 0.308 nan 8.290 nan 0.000 0.543 25 L N 1.363 122.564 121.223 -0.037 0.000 2.191 25 L HA 0.087 4.411 4.340 -0.027 0.000 0.212 25 L C 3.141 179.994 176.870 -0.028 0.000 1.103 25 L CA 1.400 56.224 54.840 -0.027 0.000 0.769 25 L CB -0.757 41.298 42.059 -0.006 0.000 0.908 25 L HN 0.303 nan 8.230 nan 0.000 0.438 26 A N 0.363 123.169 122.820 -0.024 0.000 1.840 26 A HA -0.163 4.141 4.320 -0.027 0.000 0.214 26 A C 2.181 179.722 177.584 -0.072 0.000 1.198 26 A CA 1.605 53.639 52.037 -0.005 0.000 0.608 26 A CB -0.849 18.192 19.000 0.067 0.000 0.839 26 A HN 0.451 nan 8.150 nan 0.000 0.443 27 I N -2.144 118.294 120.570 -0.221 0.000 2.423 27 I HA -0.166 3.988 4.170 -0.027 0.000 0.254 27 I C 1.777 177.791 176.117 -0.172 0.000 1.151 27 I CA 1.287 62.390 61.300 -0.329 0.000 1.421 27 I CB -0.396 37.229 38.000 -0.626 0.000 1.079 27 I HN 0.189 nan 8.210 nan 0.000 0.431 28 L N 0.312 121.462 121.223 -0.122 0.000 2.275 28 L HA -0.029 4.295 4.340 -0.027 0.000 0.215 28 L C 1.578 178.419 176.870 -0.049 0.000 1.119 28 L CA 1.791 56.584 54.840 -0.078 0.000 0.790 28 L CB -0.611 41.411 42.059 -0.061 0.000 0.919 28 L HN 0.473 nan 8.230 nan 0.000 0.443 29 K N -1.573 118.805 120.400 -0.037 0.000 2.562 29 K HA 0.169 4.473 4.320 -0.027 0.000 0.201 29 K C -0.415 176.188 176.600 0.005 0.000 1.131 29 K CA -0.381 55.898 56.287 -0.013 0.000 1.059 29 K CB 0.974 33.471 32.500 -0.005 0.000 0.913 29 K HN -0.075 nan 8.250 nan 0.000 0.563 30 L N 2.466 123.692 121.223 0.005 0.000 2.305 30 L HA 0.326 4.650 4.340 -0.027 0.000 0.281 30 L C -2.349 174.542 176.870 0.036 0.000 1.085 30 L CA -2.121 52.744 54.840 0.042 0.000 0.813 30 L CB 0.323 42.428 42.059 0.076 0.000 1.157 30 L HN -0.077 nan 8.230 nan 0.000 0.436 31 P HA 0.143 nan 4.420 nan 0.000 0.268 31 P C -1.292 176.031 177.300 0.038 0.000 1.208 31 P CA -0.122 63.001 63.100 0.038 0.000 0.777 31 P CB 0.564 32.291 31.700 0.045 0.000 0.875 32 V N 1.229 121.156 119.914 0.022 0.000 2.638 32 V HA 0.813 4.917 4.120 -0.027 0.000 0.306 32 V C -0.028 176.069 176.094 0.004 0.000 1.052 32 V CA -0.425 61.880 62.300 0.008 0.000 0.885 32 V CB 1.466 33.283 31.823 -0.011 0.000 0.999 32 V HN 0.833 nan 8.190 nan 0.000 0.424 33 A N 2.745 125.560 122.820 -0.008 0.000 2.599 33 A HA 0.603 4.907 4.320 -0.027 0.000 0.290 33 A C 0.255 177.799 177.584 -0.066 0.000 1.101 33 A CA -0.290 51.743 52.037 -0.006 0.000 0.674 33 A CB 1.741 20.768 19.000 0.046 0.000 1.277 33 A HN 0.595 nan 8.150 nan 0.000 0.419 34 Q N -0.876 118.876 119.800 -0.080 0.000 2.083 34 Q HA 0.037 4.361 4.340 -0.027 0.000 0.198 34 Q C -0.660 175.120 176.000 -0.368 0.000 0.969 34 Q CA 1.543 57.195 55.803 -0.251 0.000 0.838 34 Q CB 0.032 28.658 28.738 -0.187 0.000 0.900 34 Q HN 0.676 nan 8.270 nan 0.000 0.436 35 Y N -0.553 119.799 120.300 0.086 0.000 2.581 35 Y HA 0.400 4.934 4.550 -0.027 0.000 0.345 35 Y C -1.966 173.982 175.900 0.079 0.000 1.036 35 Y CA -2.482 55.676 58.100 0.097 0.000 1.042 35 Y CB 1.761 40.303 38.460 0.137 0.000 1.289 35 Y HN 0.098 nan 8.280 nan 0.000 0.471 36 P HA 0.076 nan 4.420 nan 0.000 0.293 36 P C -0.600 176.788 177.300 0.146 0.000 1.298 36 P CA -0.374 62.820 63.100 0.156 0.000 0.757 36 P CB 0.340 32.116 31.700 0.126 0.000 1.262 37 T N 0.794 115.401 114.554 0.088 0.000 2.765 37 T HA 0.113 4.447 4.350 -0.027 0.000 0.284 37 T C 1.180 175.924 174.700 0.074 0.000 0.946 37 T CA 0.507 62.652 62.100 0.075 0.000 1.185 37 T CB -0.665 68.229 68.868 0.043 0.000 0.887 37 T HN 0.249 nan 8.240 nan 0.000 0.532 38 I N 1.525 122.141 120.570 0.077 0.000 4.033 38 I HA 0.247 4.401 4.170 -0.027 0.000 0.296 38 I C 1.468 177.619 176.117 0.057 0.000 1.210 38 I CA -0.093 61.238 61.300 0.051 0.000 1.341 38 I CB 0.157 38.148 38.000 -0.015 0.000 1.369 38 I HN 0.547 nan 8.210 nan 0.000 0.453 39 A N 3.378 126.236 122.820 0.064 0.000 2.388 39 A HA 0.382 4.686 4.320 -0.027 0.000 0.257 39 A C -2.261 175.360 177.584 0.061 0.000 1.095 39 A CA -0.981 51.096 52.037 0.067 0.000 0.791 39 A CB -0.619 18.424 19.000 0.072 0.000 1.029 39 A HN 0.005 nan 8.150 nan 0.000 0.489 40 P HA 0.208 nan 4.420 nan 0.000 0.269 40 P C -2.655 174.674 177.300 0.048 0.000 1.209 40 P CA -0.868 62.261 63.100 0.048 0.000 0.776 40 P CB -0.085 31.626 31.700 0.019 0.000 0.876 41 P HA 0.282 nan 4.420 nan 0.000 0.277 41 P C -0.960 176.421 177.300 0.134 0.000 1.240 41 P CA -0.246 62.894 63.100 0.067 0.000 0.798 41 P CB 0.769 32.478 31.700 0.016 0.000 0.979 42 A N 1.954 124.840 122.820 0.110 0.000 2.355 42 A HA 0.652 4.955 4.320 -0.027 0.000 0.324 42 A C -0.917 176.758 177.584 0.152 0.000 1.117 42 A CA -0.691 51.426 52.037 0.134 0.000 0.785 42 A CB 1.321 20.359 19.000 0.063 0.000 1.254 42 A HN 0.323 nan 8.150 nan 0.000 0.453 43 V N 1.378 121.423 119.914 0.218 0.000 2.540 43 V HA 0.619 4.723 4.120 -0.027 0.000 0.302 43 V C -0.225 175.936 176.094 0.112 0.000 1.035 43 V CA -0.315 62.084 62.300 0.166 0.000 0.873 43 V CB 2.051 34.013 31.823 0.231 0.000 0.992 43 V HN 0.947 nan 8.190 nan 0.000 0.428 44 T N 5.866 120.468 114.554 0.080 0.000 2.812 44 T HA 0.623 4.957 4.350 -0.027 0.000 0.282 44 T C -0.295 174.440 174.700 0.060 0.000 0.990 44 T CA -0.195 61.944 62.100 0.065 0.000 0.960 44 T CB 1.061 69.968 68.868 0.065 0.000 0.948 44 T HN 0.379 nan 8.240 nan 0.000 0.438 45 I N 2.635 123.237 120.570 0.053 0.000 2.365 45 I HA 0.360 4.514 4.170 -0.027 0.000 0.291 45 I C 0.322 176.470 176.117 0.051 0.000 1.004 45 I CA -0.232 61.097 61.300 0.048 0.000 1.311 45 I CB 1.157 39.181 38.000 0.040 0.000 1.401 45 I HN 0.494 nan 8.210 nan 0.000 0.491 46 S N 5.017 120.748 115.700 0.052 0.000 2.605 46 S HA 0.808 5.262 4.470 -0.027 0.000 0.308 46 S C -0.460 174.173 174.600 0.055 0.000 1.113 46 S CA -0.642 57.593 58.200 0.058 0.000 1.049 46 S CB 1.811 65.050 63.200 0.065 0.000 1.001 46 S HN 0.738 nan 8.310 nan 0.000 0.480 47 A N 1.944 124.800 122.820 0.060 0.000 2.469 47 A HA 0.916 5.220 4.320 -0.027 0.000 0.299 47 A C -0.587 177.045 177.584 0.079 0.000 1.098 47 A CA -0.831 51.241 52.037 0.059 0.000 0.737 47 A CB 1.901 20.931 19.000 0.050 0.000 1.312 47 A HN 0.638 nan 8.150 nan 0.000 0.414 48 S N 0.104 115.854 115.700 0.082 0.000 2.672 48 S HA 0.554 5.008 4.470 -0.027 0.000 0.291 48 S C -1.649 173.044 174.600 0.155 0.000 1.145 48 S CA -0.261 58.009 58.200 0.115 0.000 1.013 48 S CB 0.666 63.926 63.200 0.100 0.000 1.017 48 S HN 0.737 nan 8.310 nan 0.000 0.487 49 Y N 5.802 126.131 120.300 0.048 0.000 2.919 49 Y HA 0.384 4.918 4.550 -0.026 0.000 0.341 49 Y C -2.467 173.464 175.900 0.052 0.000 1.045 49 Y CA -2.867 55.260 58.100 0.046 0.000 1.218 49 Y CB 0.902 39.384 38.460 0.037 0.000 1.137 49 Y HN 0.493 nan 8.280 nan 0.000 0.577 50 P HA 0.005 nan 4.420 nan 0.000 0.258 50 P C 0.550 177.950 177.300 0.167 0.000 1.172 50 P CA 1.874 65.107 63.100 0.221 0.000 0.762 50 P CB 0.460 32.281 31.700 0.202 0.000 0.764 51 G N 2.119 110.969 108.800 0.083 0.000 2.136 51 G HA2 -0.080 3.864 3.960 -0.027 0.000 0.242 51 G HA3 -0.080 3.864 3.960 -0.027 0.000 0.242 51 G C 0.265 175.118 174.900 -0.077 0.000 0.989 51 G CA -0.098 45.018 45.100 0.027 0.000 0.682 51 G HN 0.845 nan 8.290 nan 0.000 0.522 52 A N 0.066 122.787 122.820 -0.165 0.000 2.312 52 A HA 0.724 5.028 4.320 -0.027 0.000 0.326 52 A C 0.249 177.742 177.584 -0.152 0.000 1.172 52 A CA 0.233 52.085 52.037 -0.309 0.000 0.821 52 A CB 0.784 19.350 19.000 -0.725 0.000 1.166 52 A HN 0.881 nan 8.150 nan 0.000 0.493 53 D N 0.992 121.316 120.400 -0.127 0.000 2.383 53 D HA 0.475 5.099 4.640 -0.027 0.000 0.248 53 D C 1.098 177.364 176.300 -0.057 0.000 1.170 53 D CA 0.075 54.036 54.000 -0.064 0.000 0.977 53 D CB 0.972 41.743 40.800 -0.048 0.000 1.120 53 D HN 0.425 nan 8.370 nan 0.000 0.481 54 A N 0.195 122.995 122.820 -0.032 0.000 1.933 54 A HA -0.206 4.098 4.320 -0.027 0.000 0.218 54 A C 2.051 179.616 177.584 -0.032 0.000 1.175 54 A CA 1.333 53.355 52.037 -0.024 0.000 0.628 54 A CB -0.800 18.186 19.000 -0.023 0.000 0.814 54 A HN 0.572 nan 8.150 nan 0.000 0.444 55 K N -0.585 119.787 120.400 -0.045 0.000 2.002 55 K HA -0.128 4.176 4.320 -0.027 0.000 0.209 55 K C 2.116 178.698 176.600 -0.029 0.000 1.048 55 K CA 1.992 58.256 56.287 -0.040 0.000 0.930 55 K CB -0.699 31.776 32.500 -0.041 0.000 0.714 55 K HN 0.479 nan 8.250 nan 0.000 0.438 56 T N 1.595 116.119 114.554 -0.049 0.000 2.635 56 T HA -0.166 4.168 4.350 -0.027 0.000 0.267 56 T C 1.898 176.581 174.700 -0.028 0.000 1.040 56 T CA 2.296 64.358 62.100 -0.064 0.000 1.156 56 T CB -0.463 68.316 68.868 -0.149 0.000 0.863 56 T HN 0.254 nan 8.240 nan 0.000 0.430 57 V N 0.410 120.307 119.914 -0.028 0.000 2.667 57 V HA -0.122 3.981 4.120 -0.027 0.000 0.252 57 V C 2.388 178.519 176.094 0.062 0.000 1.065 57 V CA 1.619 63.951 62.300 0.054 0.000 1.083 57 V CB -1.011 30.851 31.823 0.065 0.000 0.692 57 V HN 0.402 nan 8.190 nan 0.000 0.468 58 Q N 1.882 121.701 119.800 0.032 0.000 2.020 58 Q HA -0.251 4.073 4.340 -0.027 0.000 0.202 58 Q C 1.780 177.802 176.000 0.036 0.000 0.982 58 Q CA 2.374 58.196 55.803 0.032 0.000 0.838 58 Q CB -0.132 28.616 28.738 0.016 0.000 0.899 58 Q HN 0.910 nan 8.270 nan 0.000 0.423 59 D N -1.688 118.731 120.400 0.032 0.000 2.339 59 D HA -0.010 4.614 4.640 -0.027 0.000 0.217 59 D C 1.057 177.386 176.300 0.048 0.000 1.050 59 D CA 0.408 54.428 54.000 0.033 0.000 0.856 59 D CB 0.199 41.013 40.800 0.024 0.000 0.922 59 D HN 0.037 nan 8.370 nan 0.000 0.518 60 T N -1.021 113.576 114.554 0.071 0.000 3.018 60 T HA 0.129 4.463 4.350 -0.027 0.000 0.246 60 T C 1.531 176.294 174.700 0.106 0.000 1.026 60 T CA 0.457 62.621 62.100 0.107 0.000 1.081 60 T CB 0.428 69.403 68.868 0.178 0.000 0.970 60 T HN 0.034 nan 8.240 nan 0.000 0.475 61 V N 0.176 120.153 119.914 0.105 0.000 3.001 61 V HA 0.067 4.171 4.120 -0.027 0.000 0.228 61 V C 2.564 178.693 176.094 0.057 0.000 1.204 61 V CA 0.862 63.212 62.300 0.084 0.000 1.247 61 V CB -0.837 31.052 31.823 0.111 0.000 1.093 61 V HN 0.273 nan 8.190 nan 0.000 0.504 62 T N 0.300 114.888 114.554 0.057 0.000 2.652 62 T HA -0.291 4.043 4.350 -0.027 0.000 0.267 62 T C 1.918 176.636 174.700 0.030 0.000 1.039 62 T CA 2.197 64.322 62.100 0.042 0.000 1.153 62 T CB -0.331 68.561 68.868 0.041 0.000 0.863 62 T HN 0.416 nan 8.240 nan 0.000 0.428 63 Q N 0.171 119.988 119.800 0.029 0.000 2.096 63 Q HA -0.100 4.224 4.340 -0.027 0.000 0.204 63 Q C 2.612 178.622 176.000 0.017 0.000 0.982 63 Q CA 1.278 57.093 55.803 0.021 0.000 0.850 63 Q CB -0.486 28.265 28.738 0.022 0.000 0.901 63 Q HN 0.354 nan 8.270 nan 0.000 0.422 64 V N 0.958 120.886 119.914 0.022 0.000 2.287 64 V HA -0.290 3.814 4.120 -0.027 0.000 0.248 64 V C 2.118 178.220 176.094 0.013 0.000 1.053 64 V CA 1.783 64.094 62.300 0.018 0.000 1.027 64 V CB -0.494 31.342 31.823 0.021 0.000 0.646 64 V HN 0.353 nan 8.190 nan 0.000 0.447 65 I N -0.393 120.186 120.570 0.016 0.000 2.202 65 I HA -0.212 3.942 4.170 -0.027 0.000 0.242 65 I C 2.569 178.689 176.117 0.005 0.000 1.091 65 I CA 1.576 62.884 61.300 0.013 0.000 1.368 65 I CB -0.499 37.512 38.000 0.018 0.000 1.058 65 I HN 0.343 nan 8.210 nan 0.000 0.410 66 E N 0.559 120.761 120.200 0.003 0.000 2.118 66 E HA -0.279 4.055 4.350 -0.027 0.000 0.195 66 E C 2.234 178.827 176.600 -0.013 0.000 0.992 66 E CA 1.179 57.573 56.400 -0.010 0.000 0.804 66 E CB -0.113 29.580 29.700 -0.011 0.000 0.741 66 E HN 0.566 nan 8.360 nan 0.000 0.458 67 Q N 0.368 120.165 119.800 -0.005 0.000 2.061 67 Q HA -0.173 4.151 4.340 -0.027 0.000 0.204 67 Q C 1.574 177.571 176.000 -0.006 0.000 0.984 67 Q CA 1.585 57.385 55.803 -0.005 0.000 0.846 67 Q CB -0.175 28.563 28.738 0.000 0.000 0.902 67 Q HN 0.272 nan 8.270 nan 0.000 0.421 68 N N -0.485 118.214 118.700 -0.002 0.000 2.494 68 N HA -0.047 4.677 4.740 -0.027 0.000 0.182 68 N C 0.900 176.410 175.510 -0.001 0.000 1.076 68 N CA 0.244 53.294 53.050 0.000 0.000 0.908 68 N CB 0.147 38.636 38.487 0.004 0.000 0.967 68 N HN 0.067 nan 8.380 nan 0.000 0.449 69 M N 1.286 120.882 119.600 -0.007 0.000 2.682 69 M HA 0.058 4.522 4.480 -0.027 0.000 0.235 69 M C -0.036 176.250 176.300 -0.022 0.000 1.114 69 M CA -0.211 55.082 55.300 -0.013 0.000 1.053 69 M CB -1.527 31.058 32.600 -0.025 0.000 1.599 69 M HN 0.197 nan 8.290 nan 0.000 0.520 70 N N -1.047 117.643 118.700 -0.017 0.000 2.347 70 N HA 0.403 5.127 4.740 -0.027 0.000 0.253 70 N C 0.872 176.381 175.510 -0.002 0.000 1.274 70 N CA 0.265 53.305 53.050 -0.017 0.000 0.941 70 N CB 0.181 38.660 38.487 -0.014 0.000 1.200 70 N HN 0.159 nan 8.380 nan 0.000 0.514 71 G N -0.730 108.070 108.800 -0.000 0.000 2.273 71 G HA2 -0.236 3.708 3.960 -0.027 0.000 0.280 71 G HA3 -0.236 3.708 3.960 -0.027 0.000 0.280 71 G C -0.412 174.503 174.900 0.026 0.000 1.047 71 G CA 0.258 45.364 45.100 0.010 0.000 0.869 71 G HN 0.550 nan 8.290 nan 0.000 0.502 72 I N 0.527 121.119 120.570 0.037 0.000 2.406 72 I HA 0.259 4.413 4.170 -0.027 0.000 0.290 72 I C -0.146 176.033 176.117 0.104 0.000 0.999 72 I CA -1.142 60.208 61.300 0.084 0.000 1.124 72 I CB 1.359 39.435 38.000 0.127 0.000 1.289 72 I HN -0.051 nan 8.210 nan 0.000 0.441 73 D N 5.520 125.986 120.400 0.110 0.000 2.419 73 D HA -0.030 4.594 4.640 -0.027 0.000 0.236 73 D C 0.594 177.011 176.300 0.195 0.000 1.165 73 D CA 0.670 54.734 54.000 0.106 0.000 0.882 73 D CB 0.288 41.127 40.800 0.065 0.000 1.201 73 D HN 0.476 nan 8.370 nan 0.000 0.443 74 N N -0.392 118.393 118.700 0.142 0.000 2.693 74 N HA -0.228 4.496 4.740 -0.027 0.000 0.249 74 N C -0.322 175.297 175.510 0.182 0.000 1.119 74 N CA 0.291 53.447 53.050 0.177 0.000 0.717 74 N CB -1.278 37.326 38.487 0.195 0.000 1.071 74 N HN 0.346 nan 8.380 nan 0.000 0.555 75 L N 0.412 121.634 121.223 -0.002 0.000 2.361 75 L HA 0.188 4.512 4.340 -0.027 0.000 0.278 75 L C 1.548 178.262 176.870 -0.261 0.000 1.113 75 L CA 0.408 55.036 54.840 -0.353 0.000 0.849 75 L CB 0.485 42.331 42.059 -0.355 0.000 1.155 75 L HN 0.171 nan 8.230 nan 0.000 0.452 76 M N 4.572 123.942 119.600 -0.384 0.000 2.248 76 M HA 0.084 4.548 4.480 -0.027 0.000 0.265 76 M C -0.774 175.399 176.300 -0.212 0.000 1.079 76 M CA 0.917 56.051 55.300 -0.277 0.000 1.150 76 M CB 0.235 32.576 32.600 -0.431 0.000 1.366 76 M HN 0.730 nan 8.290 nan 0.000 0.433 77 Y N -3.361 116.727 120.300 -0.352 0.000 2.814 77 Y HA 0.563 5.101 4.550 -0.021 0.000 0.348 77 Y C -1.319 174.319 175.900 -0.436 0.000 1.245 77 Y CA -2.166 55.692 58.100 -0.403 0.000 1.086 77 Y CB 0.664 38.871 38.460 -0.421 0.000 1.373 77 Y HN -0.030 nan 8.280 nan 0.000 0.451 78 M N 2.906 122.357 119.600 -0.248 0.000 2.386 78 M HA 0.771 5.235 4.480 -0.027 0.000 0.293 78 M C -1.661 174.505 176.300 -0.224 0.000 1.120 78 M CA -0.372 54.796 55.300 -0.220 0.000 0.909 78 M CB 2.215 34.685 32.600 -0.216 0.000 1.661 78 M HN 1.133 nan 8.290 nan 0.000 0.452 79 S N 2.247 117.928 115.700 -0.032 0.000 2.595 79 S HA 0.976 5.430 4.470 -0.027 0.000 0.281 79 S C -1.024 173.610 174.600 0.056 0.000 1.117 79 S CA -0.326 57.915 58.200 0.067 0.000 0.873 79 S CB 2.030 65.383 63.200 0.255 0.000 1.108 79 S HN 0.981 nan 8.310 nan 0.000 0.477 80 S N 0.534 116.275 115.700 0.069 0.000 2.596 80 S HA 0.676 5.130 4.470 -0.027 0.000 0.270 80 S C -1.535 173.104 174.600 0.064 0.000 1.155 80 S CA -1.090 57.144 58.200 0.057 0.000 0.827 80 S CB 0.713 63.936 63.200 0.037 0.000 1.130 80 S HN 0.893 nan 8.310 nan 0.000 0.467 81 N N -0.181 118.555 118.700 0.060 0.000 2.312 81 N HA 0.749 5.473 4.740 -0.027 0.000 0.296 81 N C -1.636 173.906 175.510 0.053 0.000 1.193 81 N CA -0.968 52.117 53.050 0.059 0.000 0.773 81 N CB 2.193 40.718 38.487 0.062 0.000 1.435 81 N HN 0.587 nan 8.380 nan 0.000 0.484 82 S N 0.314 116.041 115.700 0.046 0.000 2.594 82 S HA 0.361 4.815 4.470 -0.027 0.000 0.296 82 S C -1.463 173.157 174.600 0.034 0.000 1.124 82 S CA -0.783 57.441 58.200 0.041 0.000 1.011 82 S CB 1.380 64.598 63.200 0.030 0.000 1.016 82 S HN 0.424 nan 8.310 nan 0.000 0.485 83 D N 1.290 121.714 120.400 0.040 0.000 2.268 83 D HA 0.345 4.969 4.640 -0.027 0.000 0.249 83 D C 1.208 177.524 176.300 0.027 0.000 1.008 83 D CA -0.371 53.653 54.000 0.039 0.000 0.939 83 D CB 1.580 42.413 40.800 0.054 0.000 1.170 83 D HN 0.461 nan 8.370 nan 0.000 0.468 84 S N -0.731 114.986 115.700 0.029 0.000 2.447 84 S HA -0.162 4.292 4.470 -0.027 0.000 0.233 84 S C 1.590 176.211 174.600 0.034 0.000 1.006 84 S CA 1.337 59.553 58.200 0.026 0.000 0.957 84 S CB -0.552 62.671 63.200 0.038 0.000 0.773 84 S HN 0.584 nan 8.310 nan 0.000 0.507 85 T N -2.156 112.427 114.554 0.049 0.000 3.160 85 T HA 0.408 4.742 4.350 -0.027 0.000 0.257 85 T C 1.565 176.305 174.700 0.066 0.000 1.147 85 T CA 0.545 62.681 62.100 0.062 0.000 1.064 85 T CB -0.632 68.280 68.868 0.073 0.000 0.949 85 T HN 1.170 nan 8.240 nan 0.000 0.526 86 G N 1.277 110.107 108.800 0.051 0.000 2.147 86 G HA2 -0.234 3.710 3.960 -0.027 0.000 0.244 86 G HA3 -0.234 3.710 3.960 -0.027 0.000 0.244 86 G C 0.029 174.992 174.900 0.106 0.000 1.005 86 G CA 0.164 45.303 45.100 0.066 0.000 0.713 86 G HN 0.750 nan 8.290 nan 0.000 0.515 87 T N -0.221 114.386 114.554 0.088 0.000 2.806 87 T HA 0.558 4.892 4.350 -0.027 0.000 0.290 87 T C 0.085 174.834 174.700 0.082 0.000 0.966 87 T CA 0.056 62.211 62.100 0.091 0.000 1.060 87 T CB 2.664 71.584 68.868 0.087 0.000 0.927 87 T HN 1.088 nan 8.240 nan 0.000 0.485 88 V N 3.754 123.718 119.914 0.084 0.000 2.495 88 V HA 0.510 4.614 4.120 -0.027 0.000 0.298 88 V C -1.185 174.951 176.094 0.069 0.000 1.031 88 V CA -0.559 61.785 62.300 0.073 0.000 0.871 88 V CB 1.673 33.539 31.823 0.072 0.000 0.988 88 V HN 0.894 nan 8.190 nan 0.000 0.432 89 Q N 6.712 126.552 119.800 0.066 0.000 2.309 89 Q HA 0.546 4.870 4.340 -0.027 0.000 0.270 89 Q C -1.276 174.758 176.000 0.056 0.000 1.023 89 Q CA -0.379 55.463 55.803 0.065 0.000 0.758 89 Q CB 2.546 31.329 28.738 0.076 0.000 1.247 89 Q HN 0.756 nan 8.270 nan 0.000 0.455 90 I N 1.906 122.504 120.570 0.047 0.000 2.354 90 I HA 0.322 4.476 4.170 -0.027 0.000 0.292 90 I C -0.173 175.961 176.117 0.029 0.000 0.989 90 I CA -0.434 60.886 61.300 0.033 0.000 1.188 90 I CB 1.918 39.930 38.000 0.021 0.000 1.342 90 I HN 0.350 nan 8.210 nan 0.000 0.457 91 T N 7.004 121.571 114.554 0.021 0.000 2.772 91 T HA 0.417 4.751 4.350 -0.027 0.000 0.288 91 T C -0.280 174.385 174.700 -0.059 0.000 0.994 91 T CA -0.526 61.581 62.100 0.012 0.000 0.951 91 T CB 0.870 69.762 68.868 0.041 0.000 0.933 91 T HN 0.123 nan 8.240 nan 0.000 0.447 92 L N 4.481 125.653 121.223 -0.085 0.000 2.261 92 L HA 0.389 4.713 4.340 -0.027 0.000 0.289 92 L C 0.690 177.328 176.870 -0.386 0.000 1.059 92 L CA -0.092 54.573 54.840 -0.290 0.000 0.816 92 L CB 0.251 42.159 42.059 -0.252 0.000 1.191 92 L HN 0.641 nan 8.230 nan 0.000 0.431 93 T N 4.164 118.354 114.554 -0.607 0.000 2.795 93 T HA 0.621 4.955 4.350 -0.027 0.000 0.282 93 T C -0.064 174.180 174.700 -0.761 0.000 0.980 93 T CA -0.186 61.556 62.100 -0.596 0.000 1.012 93 T CB 0.890 69.230 68.868 -0.879 0.000 0.936 93 T HN 0.085 nan 8.240 nan 0.000 0.457 94 F N 0.748 120.524 119.950 -0.289 0.000 2.518 94 F HA 0.412 4.941 4.527 0.002 0.000 0.338 94 F C 1.090 176.797 175.800 -0.155 0.000 1.065 94 F CA -1.295 56.588 58.000 -0.195 0.000 1.012 94 F CB 0.741 39.673 39.000 -0.113 0.000 1.297 94 F HN 0.345 nan 8.300 nan 0.000 0.489 95 E N 0.304 120.580 120.200 0.127 0.000 2.415 95 E HA 0.002 4.336 4.350 -0.027 0.000 0.262 95 E C -0.271 176.386 176.600 0.096 0.000 1.038 95 E CA -0.013 56.443 56.400 0.092 0.000 0.921 95 E CB 0.942 30.702 29.700 0.099 0.000 0.950 95 E HN 0.405 nan 8.360 nan 0.000 0.438 96 S N 0.359 116.114 115.700 0.093 0.000 2.546 96 S HA 0.251 4.705 4.470 -0.027 0.000 0.290 96 S C 1.167 175.813 174.600 0.077 0.000 1.290 96 S CA 1.014 59.266 58.200 0.086 0.000 1.069 96 S CB 0.113 63.374 63.200 0.101 0.000 0.846 96 S HN 0.693 nan 8.310 nan 0.000 0.495 97 G N 3.297 112.133 108.800 0.060 0.000 2.268 97 G HA2 -0.249 3.695 3.960 -0.027 0.000 0.240 97 G HA3 -0.249 3.695 3.960 -0.027 0.000 0.240 97 G C 0.326 175.241 174.900 0.024 0.000 1.010 97 G CA 0.169 45.297 45.100 0.047 0.000 0.618 97 G HN 0.850 nan 8.290 nan 0.000 0.516 98 T N 1.901 116.468 114.554 0.023 0.000 2.939 98 T HA 0.311 4.644 4.350 -0.027 0.000 0.312 98 T C 0.218 174.878 174.700 -0.067 0.000 1.064 98 T CA 0.898 62.986 62.100 -0.021 0.000 1.136 98 T CB 0.976 69.828 68.868 -0.026 0.000 1.035 98 T HN 0.362 nan 8.240 nan 0.000 0.538 99 D N 1.598 121.946 120.400 -0.087 0.000 2.342 99 D HA 0.246 4.870 4.640 -0.027 0.000 0.260 99 D C 1.044 177.243 176.300 -0.169 0.000 1.278 99 D CA -0.339 53.602 54.000 -0.097 0.000 0.910 99 D CB 0.543 41.298 40.800 -0.075 0.000 1.079 99 D HN 0.546 nan 8.370 nan 0.000 0.496 100 A N 4.134 126.864 122.820 -0.150 0.000 2.019 100 A HA -0.181 4.123 4.320 -0.027 0.000 0.219 100 A C 1.672 179.150 177.584 -0.178 0.000 1.164 100 A CA 1.144 53.064 52.037 -0.194 0.000 0.644 100 A CB -0.038 18.899 19.000 -0.105 0.000 0.805 100 A HN 0.517 nan 8.150 nan 0.000 0.449 101 D N -0.431 119.897 120.400 -0.120 0.000 2.277 101 D HA -0.033 4.591 4.640 -0.027 0.000 0.208 101 D C 1.658 177.895 176.300 -0.104 0.000 0.962 101 D CA 0.488 54.433 54.000 -0.091 0.000 0.865 101 D CB -0.042 40.724 40.800 -0.057 0.000 0.939 101 D HN 0.339 nan 8.370 nan 0.000 0.510 102 I N 0.784 121.275 120.570 -0.132 0.000 2.406 102 I HA -0.038 4.116 4.170 -0.027 0.000 0.249 102 I C 2.346 178.349 176.117 -0.190 0.000 1.122 102 I CA 0.405 61.629 61.300 -0.128 0.000 1.431 102 I CB -1.149 36.788 38.000 -0.105 0.000 1.087 102 I HN -0.126 nan 8.210 nan 0.000 0.424 103 A N 1.061 123.670 122.820 -0.352 0.000 1.865 103 A HA -0.316 3.988 4.320 -0.027 0.000 0.217 103 A C 2.268 179.686 177.584 -0.276 0.000 1.191 103 A CA 2.436 54.108 52.037 -0.608 0.000 0.623 103 A CB -0.883 17.314 19.000 -1.340 0.000 0.826 103 A HN 0.482 nan 8.150 nan 0.000 0.444 104 Q N 0.228 119.912 119.800 -0.193 0.000 2.077 104 Q HA -0.161 4.163 4.340 -0.027 0.000 0.206 104 Q C 1.731 177.707 176.000 -0.040 0.000 0.989 104 Q CA 2.876 58.636 55.803 -0.072 0.000 0.853 104 Q CB -1.111 27.593 28.738 -0.056 0.000 0.907 104 Q HN 0.296 nan 8.270 nan 0.000 0.418 105 V N 0.814 120.695 119.914 -0.054 0.000 2.343 105 V HA -0.272 3.832 4.120 -0.027 0.000 0.247 105 V C 2.505 178.589 176.094 -0.016 0.000 1.051 105 V CA 2.305 64.586 62.300 -0.030 0.000 1.036 105 V CB -0.677 31.125 31.823 -0.035 0.000 0.654 105 V HN 0.506 nan 8.190 nan 0.000 0.451 106 Q N -0.836 118.951 119.800 -0.023 0.000 2.167 106 Q HA -0.137 4.187 4.340 -0.027 0.000 0.202 106 Q C 2.319 178.344 176.000 0.041 0.000 0.970 106 Q CA 1.501 57.310 55.803 0.009 0.000 0.855 106 Q CB -0.166 28.580 28.738 0.014 0.000 0.911 106 Q HN 0.548 nan 8.270 nan 0.000 0.438 107 V N 1.523 121.472 119.914 0.058 0.000 2.270 107 V HA -0.307 3.797 4.120 -0.027 0.000 0.245 107 V C 2.390 178.511 176.094 0.045 0.000 1.043 107 V CA 2.268 64.617 62.300 0.081 0.000 1.014 107 V CB -0.713 31.184 31.823 0.123 0.000 0.645 107 V HN 0.500 nan 8.190 nan 0.000 0.447 108 Q N 0.057 119.874 119.800 0.030 0.000 2.291 108 Q HA -0.190 4.134 4.340 -0.027 0.000 0.205 108 Q C 1.798 177.807 176.000 0.015 0.000 0.970 108 Q CA 1.881 57.696 55.803 0.021 0.000 0.876 108 Q CB -0.433 28.314 28.738 0.015 0.000 0.935 108 Q HN 0.540 nan 8.270 nan 0.000 0.455 109 N N 0.750 119.459 118.700 0.014 0.000 2.120 109 N HA -0.101 4.623 4.740 -0.027 0.000 0.188 109 N C 1.424 176.942 175.510 0.013 0.000 1.024 109 N CA 1.239 54.296 53.050 0.011 0.000 0.852 109 N CB -0.045 38.447 38.487 0.009 0.000 1.003 109 N HN 0.223 nan 8.380 nan 0.000 0.424 110 K N 1.200 121.611 120.400 0.019 0.000 2.103 110 K HA 0.005 4.309 4.320 -0.027 0.000 0.204 110 K C 1.917 178.526 176.600 0.015 0.000 1.052 110 K CA 0.088 56.385 56.287 0.017 0.000 0.945 110 K CB -0.663 31.850 32.500 0.022 0.000 0.722 110 K HN 0.196 nan 8.250 nan 0.000 0.443 111 L N 1.231 122.465 121.223 0.019 0.000 2.042 111 L HA -0.199 4.125 4.340 -0.027 0.000 0.210 111 L C 1.530 178.407 176.870 0.012 0.000 1.076 111 L CA 1.838 56.688 54.840 0.017 0.000 0.749 111 L CB -0.427 41.645 42.059 0.021 0.000 0.893 111 L HN 0.157 nan 8.230 nan 0.000 0.432 112 Q N -0.291 119.515 119.800 0.010 0.000 2.491 112 Q HA 0.001 4.325 4.340 -0.027 0.000 0.214 112 Q C 1.692 177.695 176.000 0.005 0.000 0.970 112 Q CA 0.492 56.298 55.803 0.006 0.000 0.960 112 Q CB -0.088 28.654 28.738 0.006 0.000 0.996 112 Q HN 0.547 nan 8.270 nan 0.000 0.524 113 L N -1.892 119.334 121.223 0.006 0.000 2.425 113 L HA 0.212 4.536 4.340 -0.027 0.000 0.215 113 L C 1.857 178.730 176.870 0.004 0.000 1.065 113 L CA 0.690 55.532 54.840 0.004 0.000 0.842 113 L CB -0.100 41.962 42.059 0.005 0.000 1.033 113 L HN 0.210 nan 8.230 nan 0.000 0.474 114 A N -0.398 122.425 122.820 0.005 0.000 1.968 114 A HA -0.144 4.160 4.320 -0.027 0.000 0.217 114 A C 2.252 179.837 177.584 0.002 0.000 1.169 114 A CA 0.883 52.923 52.037 0.005 0.000 0.638 114 A CB -0.261 18.744 19.000 0.008 0.000 0.812 114 A HN 0.206 nan 8.150 nan 0.000 0.446 115 M N -0.318 119.282 119.600 0.001 0.000 2.113 115 M HA -0.184 4.280 4.480 -0.027 0.000 0.255 115 M C -0.229 176.065 176.300 -0.009 0.000 1.073 115 M CA 2.243 57.540 55.300 -0.005 0.000 1.091 115 M CB -2.494 30.104 32.600 -0.003 0.000 1.309 115 M HN 0.137 nan 8.290 nan 0.000 0.407 116 P HA -0.190 nan 4.420 nan 0.000 0.218 116 P C 1.859 179.153 177.300 -0.009 0.000 1.165 116 P CA 1.520 64.615 63.100 -0.008 0.000 0.922 116 P CB -0.282 31.416 31.700 -0.004 0.000 0.794 117 L N -2.327 118.894 121.223 -0.005 0.000 2.549 117 L HA -0.055 4.269 4.340 -0.027 0.000 0.229 117 L C 1.121 177.988 176.870 -0.004 0.000 1.158 117 L CA 0.206 55.045 54.840 -0.001 0.000 0.842 117 L CB -0.639 41.423 42.059 0.004 0.000 0.952 117 L HN -0.052 nan 8.230 nan 0.000 0.452 118 L N -0.121 121.094 121.223 -0.014 0.000 2.395 118 L HA 0.243 4.567 4.340 -0.027 0.000 0.269 118 L C -1.948 174.885 176.870 -0.061 0.000 1.133 118 L CA -2.132 52.691 54.840 -0.028 0.000 0.812 118 L CB -0.117 41.923 42.059 -0.032 0.000 1.125 118 L HN -0.220 nan 8.230 nan 0.000 0.452 119 P HA -0.048 nan 4.420 nan 0.000 0.266 119 P C 0.081 177.264 177.300 -0.195 0.000 1.195 119 P CA 0.014 63.006 63.100 -0.180 0.000 0.768 119 P CB 0.541 31.996 31.700 -0.409 0.000 0.838 120 Q N 1.681 121.397 119.800 -0.139 0.000 2.135 120 Q HA -0.274 4.050 4.340 -0.027 0.000 0.204 120 Q C 1.327 177.246 176.000 -0.135 0.000 0.981 120 Q CA 1.847 57.588 55.803 -0.105 0.000 0.856 120 Q CB -0.115 28.585 28.738 -0.063 0.000 0.902 120 Q HN 0.407 nan 8.270 nan 0.000 0.425 121 E N -0.626 119.448 120.200 -0.210 0.000 2.085 121 E HA -0.187 4.147 4.350 -0.027 0.000 0.194 121 E C 1.916 178.386 176.600 -0.217 0.000 0.994 121 E CA 1.647 57.920 56.400 -0.211 0.000 0.801 121 E CB -0.103 29.429 29.700 -0.280 0.000 0.743 121 E HN 0.215 nan 8.360 nan 0.000 0.453 122 V N 0.738 120.450 119.914 -0.336 0.000 2.358 122 V HA -0.258 3.845 4.120 -0.027 0.000 0.246 122 V C 2.216 178.254 176.094 -0.093 0.000 1.047 122 V CA 1.763 63.947 62.300 -0.193 0.000 1.035 122 V CB -0.566 31.138 31.823 -0.198 0.000 0.658 122 V HN 0.257 nan 8.190 nan 0.000 0.452 123 Q N 0.444 120.186 119.800 -0.097 0.000 2.084 123 Q HA -0.258 4.066 4.340 -0.027 0.000 0.202 123 Q C 2.261 178.242 176.000 -0.033 0.000 0.978 123 Q CA 1.908 57.679 55.803 -0.052 0.000 0.844 123 Q CB -0.173 28.534 28.738 -0.051 0.000 0.898 123 Q HN 0.854 nan 8.270 nan 0.000 0.426 124 Q N -0.459 119.319 119.800 -0.037 0.000 2.403 124 Q HA -0.047 4.277 4.340 -0.027 0.000 0.203 124 Q C 1.157 177.160 176.000 0.006 0.000 0.932 124 Q CA 0.366 56.161 55.803 -0.014 0.000 0.945 124 Q CB 0.282 29.011 28.738 -0.015 0.000 1.045 124 Q HN 0.119 nan 8.270 nan 0.000 0.511 125 Q N 1.053 120.856 119.800 0.004 0.000 2.360 125 Q HA 0.222 4.546 4.340 -0.027 0.000 0.202 125 Q C 0.004 176.021 176.000 0.030 0.000 0.915 125 Q CA 0.847 56.668 55.803 0.030 0.000 0.943 125 Q CB 0.571 29.331 28.738 0.037 0.000 1.064 125 Q HN 0.568 nan 8.270 nan 0.000 0.511 126 G N -0.559 108.251 108.800 0.016 0.000 2.778 126 G HA2 -0.170 3.774 3.960 -0.027 0.000 0.686 126 G HA3 -0.170 3.774 3.960 -0.027 0.000 0.686 126 G C -0.936 173.976 174.900 0.020 0.000 1.309 126 G CA -0.230 44.881 45.100 0.018 0.000 0.904 126 G HN 0.156 nan 8.290 nan 0.000 0.593 127 V N 2.723 122.648 119.914 0.018 0.000 2.350 127 V HA 0.668 4.772 4.120 -0.027 0.000 0.285 127 V C 0.735 176.844 176.094 0.025 0.000 1.014 127 V CA -0.029 62.285 62.300 0.023 0.000 0.831 127 V CB 1.508 33.341 31.823 0.017 0.000 1.000 127 V HN 1.550 nan 8.190 nan 0.000 0.433 128 S N 4.659 120.378 115.700 0.032 0.000 2.525 128 S HA 0.743 5.197 4.470 -0.027 0.000 0.278 128 S C -0.598 174.023 174.600 0.035 0.000 1.234 128 S CA -0.650 57.570 58.200 0.033 0.000 1.058 128 S CB 1.718 64.940 63.200 0.037 0.000 0.983 128 S HN 0.397 nan 8.310 nan 0.000 0.495 129 V N 3.130 123.063 119.914 0.032 0.000 2.409 129 V HA 0.589 4.693 4.120 -0.027 0.000 0.291 129 V C -0.171 175.942 176.094 0.033 0.000 1.020 129 V CA -0.419 61.902 62.300 0.035 0.000 0.848 129 V CB 1.046 32.888 31.823 0.031 0.000 0.990 129 V HN 1.016 nan 8.190 nan 0.000 0.430 130 E N 2.573 122.797 120.200 0.040 0.000 2.390 130 E HA 0.421 4.755 4.350 -0.027 0.000 0.277 130 E C -1.262 175.363 176.600 0.042 0.000 0.939 130 E CA -1.129 55.294 56.400 0.037 0.000 0.769 130 E CB 2.718 32.444 29.700 0.043 0.000 1.251 130 E HN 0.528 nan 8.360 nan 0.000 0.450 131 K N 1.371 121.789 120.400 0.030 0.000 2.378 131 K HA 0.150 4.454 4.320 -0.027 0.000 0.288 131 K C -0.392 176.237 176.600 0.048 0.000 1.057 131 K CA -0.033 56.273 56.287 0.033 0.000 0.971 131 K CB 0.417 32.925 32.500 0.014 0.000 0.975 131 K HN 0.344 nan 8.250 nan 0.000 0.475 132 S N 1.160 116.895 115.700 0.059 0.000 2.509 132 S HA 0.416 4.870 4.470 -0.027 0.000 0.297 132 S C 0.232 174.867 174.600 0.059 0.000 1.118 132 S CA -1.006 57.231 58.200 0.062 0.000 1.074 132 S CB 1.885 65.124 63.200 0.064 0.000 1.038 132 S HN 0.378 nan 8.310 nan 0.000 0.498 133 S N 1.365 117.101 115.700 0.060 0.000 2.206 133 S HA 0.537 4.991 4.470 -0.027 0.000 0.233 133 S C 1.081 175.700 174.600 0.031 0.000 1.255 133 S CA -0.006 58.227 58.200 0.055 0.000 1.010 133 S CB 0.215 63.456 63.200 0.068 0.000 0.970 133 S HN 0.954 nan 8.310 nan 0.000 0.437 134 S N -1.354 114.345 115.700 -0.002 0.000 2.323 134 S HA 0.154 4.608 4.470 -0.027 0.000 0.233 134 S C -0.408 174.099 174.600 -0.156 0.000 0.898 134 S CA 0.343 58.512 58.200 -0.053 0.000 1.321 134 S CB -0.658 62.526 63.200 -0.027 0.000 0.921 134 S HN 0.724 nan 8.310 nan 0.000 0.398 135 S N 0.668 116.308 115.700 -0.100 0.000 2.634 135 S HA 0.792 5.246 4.470 -0.027 0.000 0.296 135 S C -0.910 173.690 174.600 -0.000 0.000 1.104 135 S CA -0.707 57.429 58.200 -0.107 0.000 0.920 135 S CB 0.983 64.212 63.200 0.049 0.000 1.111 135 S HN 0.272 nan 8.310 nan 0.000 0.493 136 F N 1.381 121.550 119.950 0.366 0.000 2.412 136 F HA 0.312 4.823 4.527 -0.027 0.000 0.348 136 F C 1.380 177.372 175.800 0.320 0.000 1.102 136 F CA -0.933 57.261 58.000 0.323 0.000 1.196 136 F CB 0.750 39.939 39.000 0.315 0.000 1.144 136 F HN 0.529 nan 8.300 nan 0.000 0.541 137 L N 4.259 125.738 121.223 0.426 0.000 2.005 137 L HA -0.008 4.316 4.340 -0.027 0.000 0.207 137 L C 0.416 177.472 176.870 0.311 0.000 1.072 137 L CA 1.778 56.804 54.840 0.310 0.000 0.744 137 L CB -0.271 41.919 42.059 0.220 0.000 0.895 137 L HN 0.654 nan 8.230 nan 0.000 0.433 138 M N -2.955 116.815 119.600 0.284 0.000 2.683 138 M HA 0.518 4.982 4.480 -0.027 0.000 0.274 138 M C -1.417 174.916 176.300 0.056 0.000 1.272 138 M CA -0.907 54.522 55.300 0.214 0.000 0.833 138 M CB 2.123 34.793 32.600 0.116 0.000 1.708 138 M HN -0.369 nan 8.290 nan 0.000 0.463 139 V N 2.365 122.212 119.914 -0.113 0.000 2.325 139 V HA 0.348 4.451 4.120 -0.027 0.000 0.280 139 V C -0.385 175.451 176.094 -0.430 0.000 1.016 139 V CA -0.669 61.350 62.300 -0.469 0.000 0.818 139 V CB 1.390 32.572 31.823 -1.068 0.000 1.019 139 V HN 0.687 nan 8.190 nan 0.000 0.434 140 V N 4.290 124.025 119.914 -0.298 0.000 2.508 140 V HA 0.519 4.623 4.120 -0.027 0.000 0.281 140 V C 1.048 176.869 176.094 -0.455 0.000 1.041 140 V CA 0.213 62.333 62.300 -0.300 0.000 1.016 140 V CB 1.269 33.005 31.823 -0.145 0.000 0.984 140 V HN 0.864 nan 8.190 nan 0.000 0.478 141 G N 3.675 112.119 108.800 -0.594 0.000 2.388 141 G HA2 0.617 4.561 3.960 -0.027 0.000 0.330 141 G HA3 0.617 4.561 3.960 -0.027 0.000 0.330 141 G C -1.107 173.551 174.900 -0.404 0.000 1.142 141 G CA -0.434 44.322 45.100 -0.573 0.000 0.908 141 G HN 0.588 nan 8.290 nan 0.000 0.473 142 V N 2.994 122.781 119.914 -0.211 0.000 2.483 142 V HA 0.606 4.710 4.120 -0.027 0.000 0.297 142 V C 0.058 176.092 176.094 -0.100 0.000 1.027 142 V CA -0.598 61.605 62.300 -0.162 0.000 0.855 142 V CB 0.940 32.691 31.823 -0.120 0.000 0.995 142 V HN 0.840 nan 8.190 nan 0.000 0.424 143 I N 0.761 121.269 120.570 -0.103 0.000 3.042 143 I HA 0.676 4.830 4.170 -0.027 0.000 0.310 143 I C -0.748 175.346 176.117 -0.039 0.000 1.117 143 I CA -0.784 60.499 61.300 -0.029 0.000 1.003 143 I CB 2.530 40.563 38.000 0.055 0.000 1.228 143 I HN 0.495 nan 8.210 nan 0.000 0.443 144 N N 1.663 120.353 118.700 -0.017 0.000 2.424 144 N HA 0.288 5.012 4.740 -0.027 0.000 0.271 144 N C 0.257 175.773 175.510 0.009 0.000 0.985 144 N CA -0.069 52.967 53.050 -0.022 0.000 0.921 144 N CB 1.982 40.448 38.487 -0.036 0.000 1.149 144 N HN 0.916 nan 8.380 nan 0.000 0.492 145 T N -0.171 114.390 114.554 0.012 0.000 2.925 145 T HA -0.046 4.288 4.350 -0.027 0.000 0.245 145 T C 0.941 175.652 174.700 0.019 0.000 1.025 145 T CA 0.431 62.547 62.100 0.026 0.000 1.149 145 T CB -0.197 68.690 68.868 0.031 0.000 0.866 145 T HN 0.608 nan 8.240 nan 0.000 0.437 146 D N 2.095 122.503 120.400 0.012 0.000 2.277 146 D HA 0.251 4.875 4.640 -0.027 0.000 0.279 146 D C 1.186 177.492 176.300 0.010 0.000 1.197 146 D CA -0.157 53.850 54.000 0.011 0.000 1.037 146 D CB -0.936 39.870 40.800 0.010 0.000 1.128 146 D HN 0.339 nan 8.370 nan 0.000 0.531 147 G N -0.054 108.752 108.800 0.010 0.000 2.515 147 G HA2 0.051 3.995 3.960 -0.027 0.000 0.293 147 G HA3 0.051 3.995 3.960 -0.027 0.000 0.293 147 G C 0.126 175.032 174.900 0.010 0.000 0.686 147 G CA 0.470 45.577 45.100 0.011 0.000 1.463 147 G HN 0.520 nan 8.290 nan 0.000 0.310 148 T N 4.281 118.843 114.554 0.013 0.000 2.867 148 T HA 0.300 4.634 4.350 -0.027 0.000 0.297 148 T C 1.019 175.729 174.700 0.016 0.000 0.989 148 T CA 0.090 62.198 62.100 0.012 0.000 1.159 148 T CB 0.567 69.445 68.868 0.017 0.000 0.928 148 T HN 0.620 nan 8.240 nan 0.000 0.538 149 M N 1.813 121.419 119.600 0.009 0.000 2.342 149 M HA 0.493 4.957 4.480 -0.027 0.000 0.332 149 M C 0.707 177.023 176.300 0.027 0.000 1.166 149 M CA -1.035 54.278 55.300 0.022 0.000 1.086 149 M CB 0.602 33.206 32.600 0.008 0.000 1.541 149 M HN 0.613 nan 8.290 nan 0.000 0.462 150 T N -0.858 113.727 114.554 0.052 0.000 2.681 150 T HA 0.060 4.394 4.350 -0.027 0.000 0.333 150 T C 0.887 175.612 174.700 0.041 0.000 1.049 150 T CA 0.096 62.231 62.100 0.058 0.000 1.002 150 T CB 0.471 69.396 68.868 0.095 0.000 1.161 150 T HN 0.832 nan 8.240 nan 0.000 0.519 151 Q N 0.338 120.169 119.800 0.051 0.000 2.020 151 Q HA -0.100 4.224 4.340 -0.027 0.000 0.202 151 Q C 2.222 178.228 176.000 0.010 0.000 0.982 151 Q CA 2.040 57.864 55.803 0.036 0.000 0.838 151 Q CB -0.431 28.341 28.738 0.057 0.000 0.899 151 Q HN 0.835 nan 8.270 nan 0.000 0.423 152 E N 0.062 120.285 120.200 0.039 0.000 2.152 152 E HA -0.130 4.204 4.350 -0.027 0.000 0.192 152 E C 1.647 178.104 176.600 -0.239 0.000 0.983 152 E CA 1.048 57.419 56.400 -0.049 0.000 0.818 152 E CB -0.067 29.734 29.700 0.169 0.000 0.758 152 E HN 0.342 nan 8.360 nan 0.000 0.467 153 D N 0.505 120.869 120.400 -0.060 0.000 2.116 153 D HA -0.174 4.450 4.640 -0.027 0.000 0.193 153 D C 1.889 178.120 176.300 -0.115 0.000 0.998 153 D CA 1.106 55.068 54.000 -0.063 0.000 0.836 153 D CB -0.086 40.748 40.800 0.056 0.000 0.951 153 D HN 0.209 nan 8.370 nan 0.000 0.449 154 I N 0.432 120.952 120.570 -0.083 0.000 2.233 154 I HA -0.194 3.960 4.170 -0.027 0.000 0.243 154 I C 2.472 178.541 176.117 -0.079 0.000 1.093 154 I CA 0.532 61.785 61.300 -0.078 0.000 1.380 154 I CB -0.234 37.729 38.000 -0.062 0.000 1.067 154 I HN -0.133 nan 8.210 nan 0.000 0.413 155 S N 0.588 116.226 115.700 -0.103 0.000 2.365 155 S HA -0.309 4.145 4.470 -0.027 0.000 0.225 155 S C 1.709 176.201 174.600 -0.179 0.000 1.039 155 S CA 2.260 60.390 58.200 -0.117 0.000 1.033 155 S CB -0.496 62.634 63.200 -0.118 0.000 0.887 155 S HN 0.537 nan 8.310 nan 0.000 0.447 156 D N -0.429 119.776 120.400 -0.325 0.000 2.144 156 D HA -0.145 4.479 4.640 -0.027 0.000 0.200 156 D C 1.774 177.943 176.300 -0.219 0.000 0.978 156 D CA 0.951 54.714 54.000 -0.394 0.000 0.833 156 D CB -0.207 40.028 40.800 -0.942 0.000 0.961 156 D HN 0.469 nan 8.370 nan 0.000 0.470 157 Y N 0.561 120.712 120.300 -0.248 0.000 2.070 157 Y HA -0.232 4.302 4.550 -0.026 0.000 0.280 157 Y C 2.258 178.059 175.900 -0.166 0.000 1.148 157 Y CA 1.821 59.810 58.100 -0.185 0.000 1.125 157 Y CB -0.576 37.757 38.460 -0.211 0.000 0.975 157 Y HN -0.098 nan 8.280 nan 0.000 0.492 158 V N 0.669 120.583 119.914 -0.000 0.000 2.250 158 V HA -0.438 3.665 4.120 -0.027 0.000 0.250 158 V C 2.647 178.662 176.094 -0.131 0.000 1.060 158 V CA 2.158 64.427 62.300 -0.052 0.000 1.030 158 V CB -1.817 29.985 31.823 -0.036 0.000 0.643 158 V HN 0.608 nan 8.190 nan 0.000 0.445 159 A N -0.231 122.505 122.820 -0.140 0.000 1.877 159 A HA -0.083 4.221 4.320 -0.027 0.000 0.216 159 A C 2.289 179.782 177.584 -0.153 0.000 1.186 159 A CA 2.320 54.276 52.037 -0.135 0.000 0.620 159 A CB -0.746 18.176 19.000 -0.129 0.000 0.822 159 A HN 0.656 nan 8.150 nan 0.000 0.443 160 A N -1.595 121.104 122.820 -0.201 0.000 2.132 160 A HA 0.087 4.391 4.320 -0.027 0.000 0.213 160 A C 1.632 179.057 177.584 -0.266 0.000 1.154 160 A CA 0.993 52.909 52.037 -0.202 0.000 0.753 160 A CB -0.132 18.763 19.000 -0.175 0.000 0.826 160 A HN 0.543 nan 8.150 nan 0.000 0.469 161 N N -1.921 116.545 118.700 -0.390 0.000 2.239 161 N HA 0.262 4.986 4.740 -0.027 0.000 0.208 161 N C 1.041 176.416 175.510 -0.225 0.000 1.200 161 N CA 0.478 53.264 53.050 -0.441 0.000 0.895 161 N CB 0.519 38.368 38.487 -1.064 0.000 1.085 161 N HN 0.413 nan 8.380 nan 0.000 0.500 162 M N -0.280 119.225 119.600 -0.157 0.000 2.429 162 M HA 0.142 4.606 4.480 -0.027 0.000 0.230 162 M C 1.904 178.186 176.300 -0.030 0.000 1.469 162 M CA 0.121 55.401 55.300 -0.033 0.000 1.097 162 M CB 0.642 33.262 32.600 0.033 0.000 1.490 162 M HN -0.175 nan 8.290 nan 0.000 0.556 163 K N 1.435 121.800 120.400 -0.057 0.000 2.020 163 K HA -0.232 4.072 4.320 -0.027 0.000 0.212 163 K C 1.115 177.695 176.600 -0.033 0.000 1.050 163 K CA 2.454 58.712 56.287 -0.048 0.000 0.929 163 K CB -0.022 32.437 32.500 -0.069 0.000 0.714 163 K HN 0.161 nan 8.250 nan 0.000 0.443 164 D N 0.104 120.479 120.400 -0.041 0.000 2.104 164 D HA -0.170 4.454 4.640 -0.027 0.000 0.194 164 D C 1.768 178.060 176.300 -0.014 0.000 0.994 164 D CA 1.562 55.544 54.000 -0.029 0.000 0.830 164 D CB -0.328 40.449 40.800 -0.038 0.000 0.959 164 D HN 0.397 nan 8.370 nan 0.000 0.452 165 A N 0.325 123.139 122.820 -0.010 0.000 1.873 165 A HA -0.126 4.178 4.320 -0.027 0.000 0.215 165 A C 2.223 179.817 177.584 0.017 0.000 1.186 165 A CA 0.910 52.950 52.037 0.006 0.000 0.616 165 A CB -0.735 18.275 19.000 0.016 0.000 0.823 165 A HN 0.112 nan 8.150 nan 0.000 0.442 166 I N 1.129 121.711 120.570 0.019 0.000 2.194 166 I HA -0.269 3.885 4.170 -0.027 0.000 0.246 166 I C 2.816 178.947 176.117 0.024 0.000 1.093 166 I CA 2.097 63.413 61.300 0.026 0.000 1.355 166 I CB -0.285 37.729 38.000 0.024 0.000 1.046 166 I HN 0.479 nan 8.210 nan 0.000 0.413 167 S N -0.037 115.671 115.700 0.014 0.000 2.474 167 S HA -0.082 4.372 4.470 -0.027 0.000 0.235 167 S C 1.855 176.468 174.600 0.021 0.000 0.997 167 S CA 0.632 58.843 58.200 0.019 0.000 0.949 167 S CB -0.381 62.825 63.200 0.009 0.000 0.766 167 S HN 0.456 nan 8.310 nan 0.000 0.517 168 R N 0.825 121.335 120.500 0.017 0.000 2.468 168 R HA 0.243 4.567 4.340 -0.027 0.000 0.280 168 R C -0.329 175.983 176.300 0.021 0.000 0.963 168 R CA -0.063 56.047 56.100 0.017 0.000 1.083 168 R CB 0.441 30.747 30.300 0.010 0.000 1.200 168 R HN 0.267 nan 8.270 nan 0.000 0.541 169 T N 0.815 115.384 114.554 0.026 0.000 2.918 169 T HA -0.022 4.312 4.350 -0.027 0.000 0.302 169 T C 0.352 175.070 174.700 0.030 0.000 1.045 169 T CA 0.175 62.292 62.100 0.029 0.000 1.114 169 T CB 1.459 70.348 68.868 0.034 0.000 0.965 169 T HN 0.031 nan 8.240 nan 0.000 0.540 170 S N 1.760 117.476 115.700 0.027 0.000 2.596 170 S HA 0.322 4.776 4.470 -0.027 0.000 0.298 170 S C 1.545 176.165 174.600 0.033 0.000 1.255 170 S CA 0.649 58.865 58.200 0.027 0.000 1.083 170 S CB -0.909 62.305 63.200 0.022 0.000 0.837 170 S HN 1.205 nan 8.310 nan 0.000 0.499 171 G N 3.060 111.882 108.800 0.036 0.000 2.195 171 G HA2 -0.231 3.713 3.960 -0.027 0.000 0.246 171 G HA3 -0.231 3.713 3.960 -0.027 0.000 0.246 171 G C 0.113 175.047 174.900 0.056 0.000 0.984 171 G CA -0.010 45.116 45.100 0.045 0.000 0.633 171 G HN 1.060 nan 8.290 nan 0.000 0.525 172 V N 1.580 121.526 119.914 0.054 0.000 2.530 172 V HA 0.589 4.693 4.120 -0.027 0.000 0.282 172 V C 1.569 177.701 176.094 0.064 0.000 1.048 172 V CA 0.710 63.049 62.300 0.064 0.000 0.997 172 V CB 1.000 32.858 31.823 0.057 0.000 0.987 172 V HN 0.561 nan 8.190 nan 0.000 0.477 173 G N 3.605 112.453 108.800 0.081 0.000 3.199 173 G HA2 0.119 4.063 3.960 -0.027 0.000 0.184 173 G HA3 0.119 4.063 3.960 -0.027 0.000 0.184 173 G C -0.376 174.574 174.900 0.083 0.000 1.974 173 G CA -0.167 44.981 45.100 0.079 0.000 0.885 173 G HN 0.633 nan 8.290 nan 0.000 0.575 174 D N -0.707 119.757 120.400 0.107 0.000 2.255 174 D HA 0.487 5.111 4.640 -0.027 0.000 0.249 174 D C -0.428 175.951 176.300 0.132 0.000 1.078 174 D CA 0.048 54.115 54.000 0.113 0.000 0.896 174 D CB 1.979 42.858 40.800 0.131 0.000 1.194 174 D HN 0.048 nan 8.370 nan 0.000 0.429 175 V N 2.765 122.726 119.914 0.078 0.000 2.409 175 V HA 0.334 4.438 4.120 -0.027 0.000 0.291 175 V C -0.308 175.766 176.094 -0.033 0.000 1.020 175 V CA -0.886 61.434 62.300 0.032 0.000 0.848 175 V CB 1.380 33.200 31.823 -0.005 0.000 0.990 175 V HN 0.442 nan 8.190 nan 0.000 0.430 176 Q N 4.216 123.944 119.800 -0.121 0.000 2.278 176 Q HA 0.504 4.828 4.340 -0.027 0.000 0.257 176 Q C -1.041 174.602 176.000 -0.594 0.000 0.928 176 Q CA -0.261 55.339 55.803 -0.339 0.000 0.932 176 Q CB 1.611 30.101 28.738 -0.413 0.000 1.221 176 Q HN 0.789 nan 8.270 nan 0.000 0.434 177 L N 5.543 126.494 121.223 -0.454 0.000 2.319 177 L HA 0.362 4.686 4.340 -0.027 0.000 0.280 177 L C -1.045 175.504 176.870 -0.534 0.000 1.099 177 L CA -0.406 54.201 54.840 -0.388 0.000 0.828 177 L CB 0.276 42.214 42.059 -0.202 0.000 1.150 177 L HN 0.825 nan 8.230 nan 0.000 0.442 178 F N 4.696 124.564 119.950 -0.138 0.000 2.451 178 F HA 0.528 5.039 4.527 -0.026 0.000 0.356 178 F C 0.977 176.735 175.800 -0.070 0.000 1.178 178 F CA 0.182 58.118 58.000 -0.108 0.000 1.210 178 F CB 0.632 39.614 39.000 -0.031 0.000 1.504 178 F HN 0.667 nan 8.300 nan 0.000 0.598 179 G N 0.658 109.475 108.800 0.029 0.000 2.334 179 G HA2 0.187 4.131 3.960 -0.027 0.000 0.315 179 G HA3 0.187 4.131 3.960 -0.027 0.000 0.315 179 G C -1.417 173.435 174.900 -0.081 0.000 1.284 179 G CA -1.040 44.049 45.100 -0.019 0.000 0.985 179 G HN 0.393 nan 8.290 nan 0.000 0.504 180 S N -0.911 114.718 115.700 -0.119 0.000 2.634 180 S HA 0.683 5.137 4.470 -0.027 0.000 0.296 180 S C -0.105 174.407 174.600 -0.146 0.000 1.104 180 S CA -0.456 57.658 58.200 -0.143 0.000 0.920 180 S CB 1.934 65.011 63.200 -0.206 0.000 1.111 180 S HN 0.815 nan 8.310 nan 0.000 0.493 181 Q N 0.462 120.197 119.800 -0.108 0.000 2.368 181 Q HA 0.267 4.591 4.340 -0.027 0.000 0.237 181 Q C -1.241 174.768 176.000 0.015 0.000 0.987 181 Q CA -0.357 55.397 55.803 -0.082 0.000 0.896 181 Q CB 0.317 29.029 28.738 -0.043 0.000 1.241 181 Q HN 0.595 nan 8.270 nan 0.000 0.485 182 Y N 0.666 120.966 120.300 0.002 0.000 2.526 182 Y HA 0.278 4.812 4.550 -0.027 0.000 0.330 182 Y C 0.250 176.219 175.900 0.116 0.000 1.156 182 Y CA -0.396 57.734 58.100 0.051 0.000 1.419 182 Y CB 0.625 39.141 38.460 0.093 0.000 1.250 182 Y HN 0.601 nan 8.280 nan 0.000 0.540 183 A N 4.166 127.155 122.820 0.283 0.000 2.356 183 A HA 0.644 4.948 4.320 -0.027 0.000 0.323 183 A C -0.617 176.957 177.584 -0.017 0.000 1.119 183 A CA -1.057 51.120 52.037 0.234 0.000 0.790 183 A CB 0.992 20.151 19.000 0.265 0.000 1.273 183 A HN 0.717 nan 8.150 nan 0.000 0.452 184 M N 1.343 120.723 119.600 -0.367 0.000 2.307 184 M HA 0.338 4.802 4.480 -0.027 0.000 0.346 184 M C -0.128 175.845 176.300 -0.544 0.000 1.552 184 M CA 0.436 55.208 55.300 -0.881 0.000 1.116 184 M CB -0.482 31.010 32.600 -1.846 0.000 1.889 184 M HN 0.517 nan 8.290 nan 0.000 0.460 185 R N 5.229 125.449 120.500 -0.466 0.000 2.288 185 R HA 0.548 4.872 4.340 -0.027 0.000 0.326 185 R C -1.506 174.391 176.300 -0.672 0.000 0.959 185 R CA -0.136 55.642 56.100 -0.537 0.000 0.834 185 R CB 0.399 30.458 30.300 -0.402 0.000 1.157 185 R HN 0.813 nan 8.270 nan 0.000 0.470 186 I N 4.410 124.611 120.570 -0.615 0.000 2.306 186 I HA 0.274 4.428 4.170 -0.027 0.000 0.288 186 I C -0.513 175.400 176.117 -0.340 0.000 1.036 186 I CA -0.371 60.708 61.300 -0.368 0.000 1.221 186 I CB 0.843 38.735 38.000 -0.179 0.000 1.385 186 I HN 0.458 nan 8.210 nan 0.000 0.472 187 W N 7.585 128.910 121.300 0.042 0.000 2.317 187 W HA 0.469 5.113 4.660 -0.027 0.000 0.327 187 W C 0.115 176.693 176.519 0.098 0.000 1.036 187 W CA -0.678 56.705 57.345 0.065 0.000 1.419 187 W CB 0.448 29.932 29.460 0.041 0.000 1.253 187 W HN 0.265 nan 8.180 nan 0.000 0.392 188 M N 3.004 122.804 119.600 0.333 0.000 2.228 188 M HA 0.152 4.616 4.480 -0.027 0.000 0.326 188 M C 0.299 176.763 176.300 0.273 0.000 1.122 188 M CA 0.157 55.631 55.300 0.291 0.000 1.161 188 M CB 0.637 33.431 32.600 0.322 0.000 1.437 188 M HN 0.296 nan 8.290 nan 0.000 0.465 189 N N 2.253 121.016 118.700 0.105 0.000 2.448 189 N HA 0.330 5.054 4.740 -0.027 0.000 0.279 189 N C -2.288 172.976 175.510 -0.409 0.000 1.025 189 N CA -1.698 51.216 53.050 -0.226 0.000 0.898 189 N CB 2.212 40.623 38.487 -0.127 0.000 1.303 189 N HN 0.265 nan 8.380 nan 0.000 0.495 190 P HA -0.051 nan 4.420 nan 0.000 0.219 190 P C 0.567 177.597 177.300 -0.450 0.000 1.150 190 P CA 1.039 63.549 63.100 -0.983 0.000 0.814 190 P CB 0.666 31.213 31.700 -1.923 0.000 0.787 191 N N 0.657 119.066 118.700 -0.484 0.000 2.142 191 N HA -0.117 4.607 4.740 -0.027 0.000 0.186 191 N C 1.752 177.151 175.510 -0.185 0.000 1.023 191 N CA 1.208 54.100 53.050 -0.264 0.000 0.852 191 N CB -0.673 37.672 38.487 -0.238 0.000 0.998 191 N HN 0.378 nan 8.380 nan 0.000 0.424 192 E N 0.696 120.806 120.200 -0.150 0.000 2.107 192 E HA -0.007 4.326 4.350 -0.027 0.000 0.191 192 E C 2.059 178.698 176.600 0.066 0.000 0.982 192 E CA 0.364 56.743 56.400 -0.036 0.000 0.809 192 E CB -0.069 29.665 29.700 0.057 0.000 0.756 192 E HN 0.258 nan 8.360 nan 0.000 0.459 193 L N 1.405 122.666 121.223 0.063 0.000 2.027 193 L HA -0.191 4.133 4.340 -0.027 0.000 0.206 193 L C 2.545 179.480 176.870 0.109 0.000 1.074 193 L CA 0.998 55.929 54.840 0.152 0.000 0.745 193 L CB -0.477 41.693 42.059 0.185 0.000 0.898 193 L HN 0.249 nan 8.230 nan 0.000 0.433 194 N N 0.387 119.101 118.700 0.024 0.000 2.104 194 N HA -0.279 4.445 4.740 -0.027 0.000 0.190 194 N C 1.922 177.346 175.510 -0.144 0.000 1.024 194 N CA 1.458 54.471 53.050 -0.061 0.000 0.853 194 N CB 0.082 38.464 38.487 -0.174 0.000 1.008 194 N HN 0.223 nan 8.380 nan 0.000 0.424 195 K N -0.246 120.019 120.400 -0.224 0.000 2.074 195 K HA -0.130 4.174 4.320 -0.027 0.000 0.209 195 K C 0.872 177.196 176.600 -0.459 0.000 1.048 195 K CA 1.529 57.567 56.287 -0.414 0.000 0.926 195 K CB -0.100 32.028 32.500 -0.620 0.000 0.713 195 K HN 0.197 nan 8.250 nan 0.000 0.444 196 F N 0.612 120.549 119.950 -0.021 0.000 2.645 196 F HA 0.155 4.666 4.527 -0.027 0.000 0.300 196 F C -0.184 175.617 175.800 0.002 0.000 1.115 196 F CA -0.563 57.432 58.000 -0.007 0.000 1.355 196 F CB 0.354 39.356 39.000 0.003 0.000 1.026 196 F HN -0.037 nan 8.300 nan 0.000 0.536 197 Q N 0.993 120.853 119.800 0.100 0.000 2.451 197 Q HA -0.171 4.153 4.340 -0.027 0.000 0.305 197 Q C -1.094 174.978 176.000 0.121 0.000 1.345 197 Q CA 0.633 56.485 55.803 0.082 0.000 0.854 197 Q CB -1.647 27.125 28.738 0.057 0.000 1.162 197 Q HN 0.499 nan 8.270 nan 0.000 0.440 198 L N -0.576 120.740 121.223 0.155 0.000 2.341 198 L HA 0.790 5.113 4.340 -0.027 0.000 0.267 198 L C 0.467 177.448 176.870 0.185 0.000 1.009 198 L CA -0.664 54.269 54.840 0.155 0.000 0.819 198 L CB 2.139 44.291 42.059 0.156 0.000 1.323 198 L HN 0.230 nan 8.230 nan 0.000 0.425 199 T N -2.511 112.145 114.554 0.171 0.000 2.908 199 T HA 0.420 4.754 4.350 -0.027 0.000 0.290 199 T C -2.299 172.507 174.700 0.176 0.000 1.034 199 T CA -2.108 60.116 62.100 0.207 0.000 1.010 199 T CB 1.986 70.960 68.868 0.178 0.000 1.068 199 T HN 0.230 nan 8.240 nan 0.000 0.481 200 P HA -0.159 nan 4.420 nan 0.000 0.218 200 P C 1.714 179.069 177.300 0.091 0.000 1.147 200 P CA 0.685 63.865 63.100 0.133 0.000 0.827 200 P CB -0.248 31.507 31.700 0.091 0.000 0.778 201 V N 0.430 120.397 119.914 0.089 0.000 2.287 201 V HA -0.268 3.836 4.120 -0.027 0.000 0.248 201 V C 2.043 178.168 176.094 0.051 0.000 1.053 201 V CA 2.227 64.563 62.300 0.060 0.000 1.027 201 V CB -1.265 30.590 31.823 0.054 0.000 0.646 201 V HN 0.158 nan 8.190 nan 0.000 0.447 202 D N 0.260 120.697 120.400 0.062 0.000 2.117 202 D HA -0.133 4.491 4.640 -0.027 0.000 0.197 202 D C 2.240 178.565 176.300 0.043 0.000 0.987 202 D CA 1.492 55.521 54.000 0.049 0.000 0.829 202 D CB -0.298 40.538 40.800 0.059 0.000 0.961 202 D HN 0.371 nan 8.370 nan 0.000 0.460 203 V N 1.691 121.640 119.914 0.058 0.000 2.255 203 V HA -0.263 3.841 4.120 -0.027 0.000 0.247 203 V C 2.631 178.748 176.094 0.038 0.000 1.051 203 V CA 1.369 63.701 62.300 0.053 0.000 1.018 203 V CB -0.515 31.351 31.823 0.072 0.000 0.641 203 V HN 0.147 nan 8.190 nan 0.000 0.445 204 I N 0.218 120.809 120.570 0.035 0.000 2.118 204 I HA -0.288 3.866 4.170 -0.027 0.000 0.241 204 I C 2.593 178.714 176.117 0.007 0.000 1.070 204 I CA 2.174 63.485 61.300 0.019 0.000 1.327 204 I CB -0.842 37.166 38.000 0.013 0.000 1.034 204 I HN 0.359 nan 8.210 nan 0.000 0.405 205 T N 0.699 115.258 114.554 0.007 0.000 2.720 205 T HA -0.217 4.117 4.350 -0.027 0.000 0.268 205 T C 1.987 176.683 174.700 -0.007 0.000 1.037 205 T CA 1.541 63.640 62.100 -0.002 0.000 1.144 205 T CB -0.442 68.427 68.868 0.002 0.000 0.864 205 T HN 0.509 nan 8.240 nan 0.000 0.444 206 A N 0.752 123.571 122.820 -0.002 0.000 1.968 206 A HA 0.126 4.430 4.320 -0.027 0.000 0.217 206 A C 2.296 179.868 177.584 -0.020 0.000 1.169 206 A CA 0.763 52.793 52.037 -0.013 0.000 0.638 206 A CB -0.649 18.345 19.000 -0.010 0.000 0.812 206 A HN 0.516 nan 8.150 nan 0.000 0.446 207 I N -0.368 120.202 120.570 0.001 0.000 2.252 207 I HA -0.251 3.903 4.170 -0.027 0.000 0.245 207 I C 2.356 178.466 176.117 -0.012 0.000 1.102 207 I CA 1.343 62.651 61.300 0.012 0.000 1.385 207 I CB -0.216 37.829 38.000 0.075 0.000 1.064 207 I HN 0.271 nan 8.210 nan 0.000 0.414 208 K N 0.810 121.201 120.400 -0.015 0.000 2.147 208 K HA -0.111 4.193 4.320 -0.027 0.000 0.205 208 K C 2.203 178.783 176.600 -0.034 0.000 1.049 208 K CA 1.444 57.715 56.287 -0.027 0.000 0.936 208 K CB -0.167 32.314 32.500 -0.032 0.000 0.722 208 K HN 0.315 nan 8.250 nan 0.000 0.446 209 A N 1.259 124.058 122.820 -0.036 0.000 1.898 209 A HA -0.134 4.170 4.320 -0.027 0.000 0.214 209 A C 1.837 179.388 177.584 -0.054 0.000 1.183 209 A CA 1.057 53.071 52.037 -0.039 0.000 0.622 209 A CB -0.107 18.873 19.000 -0.034 0.000 0.824 209 A HN 0.276 nan 8.150 nan 0.000 0.444 210 Q N -1.477 118.278 119.800 -0.075 0.000 2.378 210 Q HA 0.075 4.399 4.340 -0.027 0.000 0.216 210 Q C -0.049 175.860 176.000 -0.152 0.000 0.892 210 Q CA 0.212 55.951 55.803 -0.106 0.000 0.931 210 Q CB 0.175 28.841 28.738 -0.119 0.000 1.086 210 Q HN 0.579 nan 8.270 nan 0.000 0.528 211 N N 0.939 119.551 118.700 -0.146 0.000 2.706 211 N HA 0.454 5.178 4.740 -0.027 0.000 0.240 211 N C -1.620 173.864 175.510 -0.043 0.000 1.039 211 N CA -0.134 52.829 53.050 -0.146 0.000 0.888 211 N CB 0.969 39.331 38.487 -0.208 0.000 1.128 211 N HN 0.150 nan 8.380 nan 0.000 0.512 212 A N 1.825 124.624 122.820 -0.035 0.000 2.601 212 A HA 0.544 4.848 4.320 -0.027 0.000 0.291 212 A C -1.686 175.890 177.584 -0.012 0.000 1.075 212 A CA -0.748 51.280 52.037 -0.016 0.000 0.671 212 A CB 1.486 20.470 19.000 -0.026 0.000 1.277 212 A HN 0.406 nan 8.150 nan 0.000 0.417 213 Q N 0.864 120.660 119.800 -0.007 0.000 2.341 213 Q HA 0.515 4.839 4.340 -0.027 0.000 0.268 213 Q C -1.314 174.680 176.000 -0.011 0.000 1.013 213 Q CA -0.406 55.393 55.803 -0.007 0.000 0.798 213 Q CB 2.017 30.754 28.738 -0.001 0.000 1.253 213 Q HN 0.518 nan 8.270 nan 0.000 0.457 214 V N 1.819 121.725 119.914 -0.013 0.000 2.398 214 V HA 0.502 4.606 4.120 -0.027 0.000 0.286 214 V C -0.097 175.990 176.094 -0.011 0.000 1.026 214 V CA -0.764 61.529 62.300 -0.013 0.000 0.868 214 V CB 1.613 33.427 31.823 -0.015 0.000 0.982 214 V HN 0.809 nan 8.190 nan 0.000 0.443 215 A N 3.980 126.794 122.820 -0.010 0.000 2.354 215 A HA 0.675 4.979 4.320 -0.027 0.000 0.281 215 A C 0.847 178.425 177.584 -0.009 0.000 1.174 215 A CA 0.338 52.370 52.037 -0.009 0.000 0.828 215 A CB 0.667 19.661 19.000 -0.009 0.000 1.099 215 A HN 1.304 nan 8.150 nan 0.000 0.516 216 A N 2.581 125.395 122.820 -0.009 0.000 2.508 216 A HA 0.573 4.877 4.320 -0.027 0.000 0.257 216 A C 1.308 178.887 177.584 -0.008 0.000 1.226 216 A CA 0.940 52.971 52.037 -0.009 0.000 0.947 216 A CB -0.773 18.222 19.000 -0.009 0.000 1.079 216 A HN 2.707 nan 8.150 nan 0.000 0.531 217 G N 0.172 108.968 108.800 -0.007 0.000 2.553 217 G HA2 -0.092 3.852 3.960 -0.027 0.000 0.242 217 G HA3 -0.092 3.852 3.960 -0.027 0.000 0.242 217 G C -0.282 174.614 174.900 -0.006 0.000 1.277 217 G CA 0.140 45.236 45.100 -0.007 0.000 0.910 217 G HN 1.507 nan 8.290 nan 0.000 0.576 218 Q N -1.454 118.342 119.800 -0.006 0.000 2.482 218 Q HA 0.698 5.022 4.340 -0.027 0.000 0.286 218 Q C -1.009 174.988 176.000 -0.005 0.000 1.007 218 Q CA -1.192 54.607 55.803 -0.005 0.000 0.801 218 Q CB 1.560 30.295 28.738 -0.005 0.000 1.455 218 Q HN 0.830 nan 8.270 nan 0.000 0.398 219 L N 0.889 122.109 121.223 -0.005 0.000 2.350 219 L HA 0.532 4.856 4.340 -0.027 0.000 0.275 219 L C 1.157 178.024 176.870 -0.004 0.000 1.099 219 L CA 0.353 55.190 54.840 -0.004 0.000 0.808 219 L CB 0.778 42.835 42.059 -0.004 0.000 1.149 219 L HN 1.094 nan 8.230 nan 0.000 0.442 220 G N 1.996 110.793 108.800 -0.004 0.000 2.258 220 G HA2 -0.219 3.725 3.960 -0.027 0.000 0.274 220 G HA3 -0.219 3.725 3.960 -0.027 0.000 0.274 220 G C 0.528 175.426 174.900 -0.004 0.000 1.021 220 G CA 0.111 45.209 45.100 -0.004 0.000 0.798 220 G HN 1.063 nan 8.290 nan 0.000 0.507 221 G N -0.670 108.128 108.800 -0.004 0.000 2.483 221 G HA2 0.539 4.483 3.960 -0.027 0.000 0.248 221 G HA3 0.539 4.483 3.960 -0.027 0.000 0.248 221 G C 0.587 175.485 174.900 -0.004 0.000 1.248 221 G CA 0.777 45.875 45.100 -0.004 0.000 0.838 221 G HN 1.174 nan 8.290 nan 0.000 0.566 222 T N 1.973 116.525 114.554 -0.004 0.000 2.934 222 T HA 0.280 4.614 4.350 -0.027 0.000 0.306 222 T C -1.467 173.231 174.700 -0.004 0.000 1.042 222 T CA -1.011 61.087 62.100 -0.004 0.000 1.145 222 T CB 0.343 69.209 68.868 -0.004 0.000 0.982 222 T HN 0.437 nan 8.240 nan 0.000 0.544 223 P HA 0.421 nan 4.420 nan 0.000 0.287 223 P C -2.601 174.697 177.300 -0.003 0.000 1.294 223 P CA -1.386 61.712 63.100 -0.003 0.000 0.776 223 P CB 0.482 32.180 31.700 -0.003 0.000 0.889 224 P HA 0.146 nan 4.420 nan 0.000 0.281 224 P C -0.101 177.197 177.300 -0.003 0.000 1.264 224 P CA -0.561 62.538 63.100 -0.003 0.000 0.824 224 P CB 0.806 32.504 31.700 -0.003 0.000 1.092 225 V N -1.062 118.851 119.914 -0.003 0.000 3.051 225 V HA 0.219 4.323 4.120 -0.027 0.000 0.306 225 V C 0.391 176.484 176.094 -0.002 0.000 1.083 225 V CA -0.591 61.707 62.300 -0.003 0.000 1.104 225 V CB -0.299 31.523 31.823 -0.003 0.000 1.027 225 V HN 0.384 nan 8.190 nan 0.000 0.483 226 K N 2.589 122.987 120.400 -0.002 0.000 2.448 226 K HA 0.399 4.703 4.320 -0.027 0.000 0.278 226 K C 1.123 177.721 176.600 -0.002 0.000 1.009 226 K CA 0.923 57.209 56.287 -0.002 0.000 0.995 226 K CB 0.411 32.910 32.500 -0.002 0.000 0.917 226 K HN 1.544 nan 8.250 nan 0.000 0.481 227 G N 1.798 110.597 108.800 -0.002 0.000 2.136 227 G HA2 -0.275 3.669 3.960 -0.027 0.000 0.242 227 G HA3 -0.275 3.669 3.960 -0.027 0.000 0.242 227 G C -0.057 174.842 174.900 -0.002 0.000 0.989 227 G CA 0.138 45.237 45.100 -0.002 0.000 0.682 227 G HN 0.556 nan 8.290 nan 0.000 0.522 228 Q N 0.048 119.846 119.800 -0.002 0.000 2.337 228 Q HA 0.561 4.885 4.340 -0.027 0.000 0.270 228 Q C 1.383 177.382 176.000 -0.002 0.000 1.002 228 Q CA 0.715 56.517 55.803 -0.002 0.000 0.888 228 Q CB 0.556 29.293 28.738 -0.003 0.000 1.222 228 Q HN 0.556 nan 8.270 nan 0.000 0.400 229 Q N 2.469 122.267 119.800 -0.002 0.000 2.431 229 Q HA 0.269 4.593 4.340 -0.027 0.000 0.244 229 Q C -0.325 175.673 176.000 -0.002 0.000 0.880 229 Q CA -0.100 55.702 55.803 -0.002 0.000 0.954 229 Q CB 0.692 29.429 28.738 -0.002 0.000 1.105 229 Q HN 0.560 nan 8.270 nan 0.000 0.558 230 L N 1.612 122.833 121.223 -0.003 0.000 2.307 230 L HA 0.367 4.691 4.340 -0.027 0.000 0.282 230 L C -0.872 175.996 176.870 -0.003 0.000 1.051 230 L CA -0.178 54.660 54.840 -0.003 0.000 0.804 230 L CB 1.181 43.238 42.059 -0.003 0.000 1.197 230 L HN 0.032 nan 8.230 nan 0.000 0.431 231 N N 4.173 122.871 118.700 -0.003 0.000 2.571 231 N HA 0.641 5.365 4.740 -0.027 0.000 0.286 231 N C -1.875 173.633 175.510 -0.004 0.000 1.138 231 N CA -0.285 52.763 53.050 -0.003 0.000 0.859 231 N CB 1.544 40.029 38.487 -0.003 0.000 1.414 231 N HN 0.678 nan 8.380 nan 0.000 0.529 232 A N 2.081 124.898 122.820 -0.004 0.000 2.515 232 A HA 0.617 4.921 4.320 -0.027 0.000 0.298 232 A C -0.485 177.097 177.584 -0.005 0.000 1.059 232 A CA -0.531 51.503 52.037 -0.004 0.000 0.698 232 A CB 1.601 20.598 19.000 -0.004 0.000 1.289 232 A HN 0.467 nan 8.150 nan 0.000 0.404 233 S N 0.373 116.070 115.700 -0.005 0.000 2.579 233 S HA 0.427 4.881 4.470 -0.027 0.000 0.275 233 S C 0.042 174.638 174.600 -0.006 0.000 1.345 233 S CA 0.046 58.243 58.200 -0.005 0.000 1.031 233 S CB 0.141 63.337 63.200 -0.006 0.000 0.892 233 S HN 0.457 nan 8.310 nan 0.000 0.529 234 I N 3.064 123.631 120.570 -0.006 0.000 2.336 234 I HA 0.326 4.480 4.170 -0.027 0.000 0.292 234 I C -0.597 175.515 176.117 -0.007 0.000 0.991 234 I CA -0.542 60.754 61.300 -0.007 0.000 1.227 234 I CB 0.950 38.945 38.000 -0.007 0.000 1.366 234 I HN 0.316 nan 8.210 nan 0.000 0.466 235 I N 5.364 125.929 120.570 -0.008 0.000 2.354 235 I HA 0.537 4.691 4.170 -0.027 0.000 0.292 235 I C 0.592 176.703 176.117 -0.010 0.000 0.989 235 I CA -0.104 61.191 61.300 -0.008 0.000 1.188 235 I CB 1.102 39.097 38.000 -0.008 0.000 1.342 235 I HN 0.670 nan 8.210 nan 0.000 0.457 236 A N 6.303 129.117 122.820 -0.011 0.000 3.936 236 A HA 0.436 4.740 4.320 -0.027 0.000 0.160 236 A C 0.247 177.821 177.584 -0.016 0.000 1.286 236 A CA -0.358 51.671 52.037 -0.014 0.000 1.236 236 A CB 0.083 19.074 19.000 -0.014 0.000 1.604 236 A HN 0.656 nan 8.150 nan 0.000 0.674 237 Q N 0.288 120.077 119.800 -0.019 0.000 2.333 237 Q HA 0.263 4.587 4.340 -0.027 0.000 0.299 237 Q C -0.832 175.158 176.000 -0.018 0.000 1.067 237 Q CA 0.712 56.501 55.803 -0.023 0.000 0.943 237 Q CB 0.278 28.999 28.738 -0.028 0.000 1.233 237 Q HN 0.582 nan 8.270 nan 0.000 0.401 238 T N 2.776 117.318 114.554 -0.019 0.000 2.893 238 T HA 0.367 4.701 4.350 -0.027 0.000 0.291 238 T C -0.418 174.277 174.700 -0.009 0.000 1.028 238 T CA -0.838 61.256 62.100 -0.009 0.000 0.995 238 T CB 1.140 70.004 68.868 -0.005 0.000 1.051 238 T HN 0.438 nan 8.240 nan 0.000 0.470 239 R N 1.499 122.007 120.500 0.013 0.000 2.623 239 R HA 0.246 4.570 4.340 -0.027 0.000 0.271 239 R C 0.099 176.433 176.300 0.057 0.000 1.043 239 R CA -0.237 55.887 56.100 0.041 0.000 1.083 239 R CB 0.112 30.468 30.300 0.092 0.000 0.974 239 R HN 0.486 nan 8.270 nan 0.000 0.436 240 L N 1.901 123.134 121.223 0.017 0.000 2.485 240 L HA -0.008 4.316 4.340 -0.027 0.000 0.275 240 L C 1.187 178.246 176.870 0.316 0.000 1.207 240 L CA 0.254 55.098 54.840 0.006 0.000 0.855 240 L CB 0.580 42.374 42.059 -0.441 0.000 1.114 240 L HN 0.766 nan 8.230 nan 0.000 0.485 241 T N -0.439 114.276 114.554 0.268 0.000 3.018 241 T HA 0.064 4.398 4.350 -0.027 0.000 0.246 241 T C 0.675 175.607 174.700 0.386 0.000 1.026 241 T CA 0.179 62.466 62.100 0.311 0.000 1.081 241 T CB 0.394 69.351 68.868 0.150 0.000 0.970 241 T HN 0.605 nan 8.240 nan 0.000 0.475 242 S N 0.475 116.356 115.700 0.302 0.000 2.681 242 S HA 0.354 4.808 4.470 -0.027 0.000 0.299 242 S C 1.179 175.927 174.600 0.245 0.000 1.113 242 S CA -0.586 57.750 58.200 0.228 0.000 1.013 242 S CB 1.665 64.949 63.200 0.140 0.000 1.076 242 S HN 0.132 nan 8.310 nan 0.000 0.534 243 T N 0.392 115.019 114.554 0.122 0.000 2.867 243 T HA -0.089 4.245 4.350 -0.027 0.000 0.268 243 T C 1.553 176.320 174.700 0.111 0.000 1.057 243 T CA 1.467 63.601 62.100 0.056 0.000 1.136 243 T CB -0.260 68.599 68.868 -0.014 0.000 0.874 243 T HN 0.674 nan 8.240 nan 0.000 0.466 244 E N 0.064 120.323 120.200 0.098 0.000 2.107 244 E HA -0.105 4.229 4.350 -0.027 0.000 0.191 244 E C 2.062 178.707 176.600 0.076 0.000 0.982 244 E CA 0.884 57.330 56.400 0.076 0.000 0.809 244 E CB 0.049 29.782 29.700 0.055 0.000 0.756 244 E HN 0.621 nan 8.360 nan 0.000 0.459 245 E N -0.354 119.899 120.200 0.089 0.000 2.110 245 E HA -0.171 4.162 4.350 -0.027 0.000 0.193 245 E C 1.775 178.347 176.600 -0.046 0.000 0.988 245 E CA 0.861 57.269 56.400 0.012 0.000 0.804 245 E CB -0.135 29.560 29.700 -0.009 0.000 0.745 245 E HN 0.303 nan 8.360 nan 0.000 0.458 246 F N 0.599 120.526 119.950 -0.039 0.000 2.365 246 F HA -0.033 4.478 4.527 -0.027 0.000 0.300 246 F C 2.373 178.145 175.800 -0.047 0.000 1.090 246 F CA 1.036 58.999 58.000 -0.061 0.000 1.408 246 F CB -0.298 38.634 39.000 -0.114 0.000 1.060 246 F HN 0.056 nan 8.300 nan 0.000 0.534 247 G N -0.342 108.534 108.800 0.127 0.000 2.422 247 G HA2 -0.195 3.749 3.960 -0.027 0.000 0.218 247 G HA3 -0.195 3.749 3.960 -0.027 0.000 0.218 247 G C 1.564 176.477 174.900 0.023 0.000 1.140 247 G CA 0.343 45.482 45.100 0.066 0.000 0.775 247 G HN 0.278 nan 8.290 nan 0.000 0.545 248 K N 0.097 120.497 120.400 0.001 0.000 2.404 248 K HA 0.238 4.542 4.320 -0.027 0.000 0.194 248 K C 0.321 176.894 176.600 -0.044 0.000 1.023 248 K CA -0.378 55.895 56.287 -0.024 0.000 1.094 248 K CB 0.372 32.856 32.500 -0.026 0.000 0.841 248 K HN 0.203 nan 8.250 nan 0.000 0.523 249 I N 2.767 123.308 120.570 -0.049 0.000 2.828 249 I HA -0.143 4.011 4.170 -0.027 0.000 0.292 249 I C 0.277 176.364 176.117 -0.050 0.000 1.206 249 I CA 0.154 61.418 61.300 -0.061 0.000 1.420 249 I CB -0.378 37.596 38.000 -0.044 0.000 1.368 249 I HN 0.073 nan 8.210 nan 0.000 0.556 250 L N 8.064 129.254 121.223 -0.055 0.000 2.290 250 L HA 0.210 4.534 4.340 -0.027 0.000 0.284 250 L C 0.543 177.383 176.870 -0.051 0.000 1.078 250 L CA 0.369 55.175 54.840 -0.056 0.000 0.815 250 L CB 0.802 42.831 42.059 -0.050 0.000 1.162 250 L HN 0.527 nan 8.230 nan 0.000 0.435 251 L N 3.378 124.564 121.223 -0.063 0.000 2.349 251 L HA 0.349 4.673 4.340 -0.027 0.000 0.200 251 L C 0.482 177.324 176.870 -0.046 0.000 1.064 251 L CA 0.095 54.905 54.840 -0.049 0.000 0.821 251 L CB -0.022 42.003 42.059 -0.057 0.000 1.027 251 L HN 0.567 nan 8.230 nan 0.000 0.476 252 K N 0.211 120.567 120.400 -0.072 0.000 2.557 252 K HA 0.423 4.727 4.320 -0.027 0.000 0.257 252 K C -1.788 174.773 176.600 -0.064 0.000 0.933 252 K CA -0.438 55.816 56.287 -0.054 0.000 0.820 252 K CB 2.710 35.185 32.500 -0.041 0.000 1.330 252 K HN -0.281 nan 8.250 nan 0.000 0.432 253 V N 4.092 123.985 119.914 -0.035 0.000 2.328 253 V HA 0.260 4.364 4.120 -0.027 0.000 0.278 253 V C -0.281 175.809 176.094 -0.007 0.000 1.021 253 V CA -1.073 61.210 62.300 -0.028 0.000 0.838 253 V CB 1.085 32.895 31.823 -0.022 0.000 0.999 253 V HN 0.688 nan 8.190 nan 0.000 0.447 254 N N 3.702 122.403 118.700 0.001 0.000 2.492 254 N HA 0.092 4.816 4.740 -0.027 0.000 0.262 254 N C 1.110 176.630 175.510 0.017 0.000 1.202 254 N CA -0.134 52.932 53.050 0.025 0.000 0.926 254 N CB 1.287 39.805 38.487 0.052 0.000 1.078 254 N HN 0.606 nan 8.380 nan 0.000 0.454 255 Q N 1.031 120.842 119.800 0.018 0.000 2.142 255 Q HA -0.238 4.086 4.340 -0.027 0.000 0.213 255 Q C 0.912 176.919 176.000 0.011 0.000 1.004 255 Q CA 1.988 57.798 55.803 0.012 0.000 0.883 255 Q CB -0.251 28.494 28.738 0.013 0.000 0.939 255 Q HN 0.706 nan 8.270 nan 0.000 0.413 256 D N -1.500 118.909 120.400 0.015 0.000 2.392 256 D HA -0.050 4.574 4.640 -0.027 0.000 0.228 256 D C 1.233 177.539 176.300 0.010 0.000 1.003 256 D CA 1.080 55.088 54.000 0.013 0.000 0.917 256 D CB -0.028 40.783 40.800 0.018 0.000 0.890 256 D HN 0.426 nan 8.370 nan 0.000 0.532 257 G N 0.606 109.410 108.800 0.008 0.000 2.424 257 G HA2 -0.286 3.658 3.960 -0.027 0.000 0.207 257 G HA3 -0.286 3.658 3.960 -0.027 0.000 0.207 257 G C 0.396 175.296 174.900 -0.001 0.000 1.061 257 G CA 0.186 45.287 45.100 0.002 0.000 0.657 257 G HN 0.767 nan 8.290 nan 0.000 0.508 258 S N 2.170 117.873 115.700 0.005 0.000 2.546 258 S HA 0.506 4.960 4.470 -0.027 0.000 0.290 258 S C 0.455 175.043 174.600 -0.021 0.000 1.290 258 S CA 0.198 58.399 58.200 0.001 0.000 1.069 258 S CB 0.714 63.929 63.200 0.024 0.000 0.846 258 S HN 0.762 nan 8.310 nan 0.000 0.495 259 R N 1.758 122.232 120.500 -0.044 0.000 2.540 259 R HA 0.576 4.900 4.340 -0.027 0.000 0.287 259 R C -1.152 175.059 176.300 -0.148 0.000 0.980 259 R CA -1.006 55.047 56.100 -0.078 0.000 0.966 259 R CB 1.146 31.409 30.300 -0.062 0.000 1.106 259 R HN 0.497 nan 8.270 nan 0.000 0.480 260 V N 4.601 124.383 119.914 -0.221 0.000 2.311 260 V HA 0.244 4.348 4.120 -0.027 0.000 0.275 260 V C 0.365 176.314 176.094 -0.241 0.000 1.022 260 V CA -0.574 61.495 62.300 -0.385 0.000 0.830 260 V CB 0.718 32.136 31.823 -0.675 0.000 1.012 260 V HN 0.540 nan 8.190 nan 0.000 0.452 261 L N 3.584 124.700 121.223 -0.179 0.000 2.456 261 L HA 0.270 4.594 4.340 -0.027 0.000 0.257 261 L C 1.496 178.315 176.870 -0.085 0.000 1.162 261 L CA -0.515 54.264 54.840 -0.102 0.000 0.808 261 L CB 0.612 42.635 42.059 -0.061 0.000 1.136 261 L HN 0.518 nan 8.230 nan 0.000 0.466 262 L N 1.290 122.491 121.223 -0.036 0.000 2.083 262 L HA -0.147 4.177 4.340 -0.027 0.000 0.209 262 L C 2.610 179.492 176.870 0.021 0.000 1.083 262 L CA 1.661 56.502 54.840 0.002 0.000 0.752 262 L CB -0.778 41.301 42.059 0.034 0.000 0.899 262 L HN 0.589 nan 8.230 nan 0.000 0.433 263 R N -0.415 120.096 120.500 0.019 0.000 2.153 263 R HA -0.221 4.103 4.340 -0.027 0.000 0.252 263 R C 1.614 177.938 176.300 0.039 0.000 1.158 263 R CA 2.034 58.154 56.100 0.032 0.000 0.975 263 R CB -0.315 29.998 30.300 0.021 0.000 0.871 263 R HN 0.531 nan 8.270 nan 0.000 0.450 264 D N -0.762 119.647 120.400 0.015 0.000 2.194 264 D HA -0.097 4.527 4.640 -0.027 0.000 0.204 264 D C 1.730 178.100 176.300 0.117 0.000 0.964 264 D CA 1.308 55.337 54.000 0.047 0.000 0.846 264 D CB 0.119 40.894 40.800 -0.041 0.000 0.962 264 D HN 0.326 nan 8.370 nan 0.000 0.490 265 V N -2.644 117.328 119.914 0.096 0.000 3.644 265 V HA 0.613 4.717 4.120 -0.027 0.000 0.267 265 V C 0.619 176.784 176.094 0.118 0.000 1.277 265 V CA 0.161 62.544 62.300 0.139 0.000 1.096 265 V CB -0.130 31.783 31.823 0.150 0.000 0.828 265 V HN 0.090 nan 8.190 nan 0.000 0.446 266 A N -0.035 122.851 122.820 0.109 0.000 2.587 266 A HA 0.710 5.014 4.320 -0.027 0.000 0.293 266 A C -0.829 176.833 177.584 0.131 0.000 1.087 266 A CA -0.876 51.240 52.037 0.132 0.000 0.692 266 A CB 1.732 20.806 19.000 0.123 0.000 1.291 266 A HN 0.216 nan 8.150 nan 0.000 0.407 267 K N 1.133 121.644 120.400 0.184 0.000 2.211 267 K HA 0.649 4.953 4.320 -0.027 0.000 0.275 267 K C -1.377 175.337 176.600 0.190 0.000 1.024 267 K CA -0.218 56.180 56.287 0.185 0.000 0.887 267 K CB 0.467 33.091 32.500 0.207 0.000 1.084 267 K HN 0.558 nan 8.250 nan 0.000 0.463 268 I N 5.042 125.677 120.570 0.107 0.000 2.355 268 I HA 0.240 4.394 4.170 -0.027 0.000 0.288 268 I C -0.462 175.668 176.117 0.021 0.000 0.999 268 I CA -0.340 60.974 61.300 0.023 0.000 1.163 268 I CB 1.400 39.405 38.000 0.008 0.000 1.316 268 I HN 0.679 nan 8.210 nan 0.000 0.454 269 E N 5.974 126.166 120.200 -0.012 0.000 2.392 269 E HA 0.420 4.754 4.350 -0.027 0.000 0.279 269 E C -1.564 174.962 176.600 -0.124 0.000 0.964 269 E CA -1.117 55.275 56.400 -0.014 0.000 0.777 269 E CB 2.056 31.821 29.700 0.109 0.000 1.249 269 E HN 0.224 nan 8.360 nan 0.000 0.449 270 L N 1.898 122.992 121.223 -0.214 0.000 2.462 270 L HA 0.516 4.840 4.340 -0.027 0.000 0.272 270 L C 0.263 176.894 176.870 -0.398 0.000 1.166 270 L CA 1.416 56.011 54.840 -0.409 0.000 0.880 270 L CB 0.632 42.332 42.059 -0.598 0.000 1.142 270 L HN 0.771 nan 8.230 nan 0.000 0.473 271 G N 2.370 111.073 108.800 -0.161 0.000 2.687 271 G HA2 0.540 4.484 3.960 -0.027 0.000 0.291 271 G HA3 0.540 4.484 3.960 -0.027 0.000 0.291 271 G C -0.651 174.432 174.900 0.305 0.000 1.420 271 G CA -0.354 44.889 45.100 0.238 0.000 0.796 271 G HN 0.788 nan 8.290 nan 0.000 0.485 272 G N -0.889 107.961 108.800 0.083 0.000 2.380 272 G HA2 0.353 4.297 3.960 -0.027 0.000 0.242 272 G HA3 0.353 4.297 3.960 -0.027 0.000 0.242 272 G C 0.691 175.369 174.900 -0.370 0.000 1.298 272 G CA 0.502 45.373 45.100 -0.382 0.000 0.878 272 G HN 0.739 nan 8.290 nan 0.000 0.542 273 E N 1.373 121.436 120.200 -0.229 0.000 2.070 273 E HA -0.155 4.179 4.350 -0.027 0.000 0.197 273 E C 0.890 177.234 176.600 -0.426 0.000 1.004 273 E CA 1.437 57.693 56.400 -0.240 0.000 0.805 273 E CB 0.062 29.703 29.700 -0.099 0.000 0.744 273 E HN 0.728 nan 8.360 nan 0.000 0.451 274 N N -1.859 116.638 118.700 -0.338 0.000 2.331 274 N HA 0.001 4.725 4.740 -0.027 0.000 0.280 274 N C -1.367 174.018 175.510 -0.207 0.000 1.155 274 N CA -0.551 52.375 53.050 -0.208 0.000 0.822 274 N CB 0.497 38.920 38.487 -0.107 0.000 1.619 274 N HN -0.049 nan 8.380 nan 0.000 0.476 275 Y N 0.250 120.567 120.300 0.029 0.000 2.683 275 Y HA 0.243 4.778 4.550 -0.026 0.000 0.297 275 Y C 0.853 176.777 175.900 0.040 0.000 1.147 275 Y CA -0.491 57.636 58.100 0.045 0.000 1.274 275 Y CB 0.122 38.617 38.460 0.058 0.000 1.143 275 Y HN 0.500 nan 8.280 nan 0.000 0.527 276 D N 0.428 120.908 120.400 0.133 0.000 2.120 276 D HA 0.021 4.645 4.640 -0.027 0.000 0.202 276 D C 0.345 176.713 176.300 0.112 0.000 0.972 276 D CA 1.160 55.230 54.000 0.117 0.000 0.837 276 D CB 0.405 41.266 40.800 0.102 0.000 0.989 276 D HN 0.231 nan 8.370 nan 0.000 0.469 277 I N 1.810 122.439 120.570 0.099 0.000 2.315 277 I HA 0.233 4.387 4.170 -0.027 0.000 0.291 277 I C -0.122 176.047 176.117 0.087 0.000 1.006 277 I CA -0.468 60.902 61.300 0.117 0.000 1.265 277 I CB 1.240 39.312 38.000 0.121 0.000 1.387 277 I HN -0.097 nan 8.210 nan 0.000 0.475 278 I N 3.717 124.332 120.570 0.076 0.000 2.534 278 I HA 0.887 5.041 4.170 -0.027 0.000 0.288 278 I C -0.446 175.655 176.117 -0.027 0.000 1.077 278 I CA -0.731 60.591 61.300 0.037 0.000 1.051 278 I CB 1.906 39.931 38.000 0.041 0.000 1.234 278 I HN 0.496 nan 8.210 nan 0.000 0.425 279 A N 4.143 126.920 122.820 -0.071 0.000 2.295 279 A HA 0.820 5.124 4.320 -0.027 0.000 0.318 279 A C -0.622 176.792 177.584 -0.284 0.000 1.134 279 A CA -0.408 51.464 52.037 -0.276 0.000 0.827 279 A CB 1.394 20.222 19.000 -0.287 0.000 1.136 279 A HN 0.819 nan 8.150 nan 0.000 0.493 280 E N -0.024 119.895 120.200 -0.468 0.000 2.272 280 E HA 0.559 4.893 4.350 -0.027 0.000 0.269 280 E C -1.986 174.471 176.600 -0.239 0.000 0.877 280 E CA -0.331 55.920 56.400 -0.248 0.000 0.755 280 E CB 1.513 31.115 29.700 -0.164 0.000 1.192 280 E HN 0.472 nan 8.360 nan 0.000 0.422 281 F N 4.903 124.778 119.950 -0.125 0.000 2.513 281 F HA 0.396 4.908 4.527 -0.026 0.000 0.358 281 F C -0.279 175.542 175.800 0.034 0.000 1.118 281 F CA -0.663 57.366 58.000 0.049 0.000 1.037 281 F CB 0.181 39.300 39.000 0.198 0.000 1.276 281 F HN 0.755 nan 8.300 nan 0.000 0.446 282 N N 4.158 122.593 118.700 -0.441 0.000 2.721 282 N HA -0.237 4.487 4.740 -0.027 0.000 0.249 282 N C 1.036 176.449 175.510 -0.162 0.000 1.072 282 N CA 0.750 53.572 53.050 -0.380 0.000 0.710 282 N CB -0.985 37.152 38.487 -0.583 0.000 0.993 282 N HN 1.230 nan 8.380 nan 0.000 0.547 283 G N -0.644 108.120 108.800 -0.061 0.000 2.268 283 G HA2 -0.392 3.552 3.960 -0.027 0.000 0.240 283 G HA3 -0.392 3.552 3.960 -0.027 0.000 0.240 283 G C -0.009 174.905 174.900 0.023 0.000 1.010 283 G CA 0.474 45.588 45.100 0.023 0.000 0.618 283 G HN 0.521 nan 8.290 nan 0.000 0.516 284 Q N 2.310 122.128 119.800 0.030 0.000 2.332 284 Q HA 0.419 4.743 4.340 -0.027 0.000 0.263 284 Q C -2.022 174.022 176.000 0.074 0.000 0.979 284 Q CA -1.548 54.298 55.803 0.071 0.000 0.885 284 Q CB 0.931 29.747 28.738 0.129 0.000 1.218 284 Q HN 0.276 nan 8.270 nan 0.000 0.405 285 P HA -0.022 nan 4.420 nan 0.000 0.262 285 P C -1.538 175.792 177.300 0.049 0.000 1.199 285 P CA 0.378 63.500 63.100 0.036 0.000 0.763 285 P CB 0.643 32.361 31.700 0.030 0.000 0.790 286 A N 2.587 125.428 122.820 0.034 0.000 2.515 286 A HA 0.728 5.032 4.320 -0.027 0.000 0.296 286 A C -0.339 177.276 177.584 0.052 0.000 1.094 286 A CA -0.484 51.592 52.037 0.064 0.000 0.718 286 A CB 1.882 20.953 19.000 0.119 0.000 1.307 286 A HN 0.469 nan 8.150 nan 0.000 0.408 287 S N -1.325 114.431 115.700 0.092 0.000 2.900 287 S HA 0.965 5.419 4.470 -0.027 0.000 0.320 287 S C -0.070 174.656 174.600 0.210 0.000 1.130 287 S CA 0.273 58.546 58.200 0.121 0.000 0.863 287 S CB 1.626 64.846 63.200 0.034 0.000 1.295 287 S HN 2.592 nan 8.310 nan 0.000 0.596 288 G N -0.216 108.689 108.800 0.175 0.000 2.341 288 G HA2 0.347 4.291 3.960 -0.027 0.000 0.293 288 G HA3 0.347 4.291 3.960 -0.027 0.000 0.293 288 G C -2.489 172.495 174.900 0.139 0.000 1.298 288 G CA -0.740 44.418 45.100 0.097 0.000 0.868 288 G HN 0.794 nan 8.290 nan 0.000 0.540 289 L N 0.179 121.415 121.223 0.021 0.000 2.410 289 L HA 0.685 5.009 4.340 -0.027 0.000 0.270 289 L C 0.540 177.342 176.870 -0.114 0.000 0.983 289 L CA -0.816 53.985 54.840 -0.066 0.000 0.822 289 L CB 2.506 44.514 42.059 -0.084 0.000 1.285 289 L HN 0.897 nan 8.230 nan 0.000 0.409 290 G N 3.516 112.140 108.800 -0.293 0.000 2.607 290 G HA2 0.581 4.525 3.960 -0.027 0.000 0.332 290 G HA3 0.581 4.525 3.960 -0.027 0.000 0.332 290 G C -0.583 174.213 174.900 -0.173 0.000 1.046 290 G CA -0.245 44.484 45.100 -0.619 0.000 1.099 290 G HN 0.334 nan 8.290 nan 0.000 0.451 291 I N 1.653 122.239 120.570 0.026 0.000 2.342 291 I HA 0.245 4.399 4.170 -0.027 0.000 0.291 291 I C 0.506 176.841 176.117 0.364 0.000 1.010 291 I CA -0.129 61.280 61.300 0.181 0.000 1.308 291 I CB 1.534 39.597 38.000 0.106 0.000 1.400 291 I HN 0.243 nan 8.210 nan 0.000 0.488 292 K N 5.639 126.233 120.400 0.324 0.000 2.156 292 K HA 0.456 4.760 4.320 -0.027 0.000 0.271 292 K C -0.802 175.904 176.600 0.177 0.000 0.995 292 K CA -0.831 55.617 56.287 0.268 0.000 0.890 292 K CB 1.436 34.063 32.500 0.212 0.000 1.073 292 K HN 0.442 nan 8.250 nan 0.000 0.454 293 L N 3.515 124.835 121.223 0.163 0.000 2.313 293 L HA 0.257 4.581 4.340 -0.027 0.000 0.282 293 L C -0.192 176.740 176.870 0.103 0.000 1.092 293 L CA 0.080 54.996 54.840 0.127 0.000 0.831 293 L CB 0.537 42.676 42.059 0.132 0.000 1.159 293 L HN 0.805 nan 8.230 nan 0.000 0.442 294 A N 4.161 127.031 122.820 0.084 0.000 2.483 294 A HA 0.220 4.524 4.320 -0.027 0.000 0.238 294 A C 0.532 178.152 177.584 0.061 0.000 1.070 294 A CA -0.130 51.947 52.037 0.067 0.000 0.770 294 A CB -0.182 18.850 19.000 0.054 0.000 1.008 294 A HN 0.816 nan 8.150 nan 0.000 0.497 295 T N 1.760 116.344 114.554 0.051 0.000 2.792 295 T HA 0.411 4.745 4.350 -0.027 0.000 0.286 295 T C 1.517 176.238 174.700 0.035 0.000 0.970 295 T CA 1.312 63.438 62.100 0.043 0.000 1.187 295 T CB 0.181 69.067 68.868 0.030 0.000 0.915 295 T HN 2.008 nan 8.240 nan 0.000 0.529 296 G N 2.388 111.213 108.800 0.041 0.000 2.258 296 G HA2 -0.101 3.843 3.960 -0.027 0.000 0.233 296 G HA3 -0.101 3.843 3.960 -0.027 0.000 0.233 296 G C 0.330 175.253 174.900 0.038 0.000 1.006 296 G CA -0.164 44.956 45.100 0.033 0.000 0.620 296 G HN 1.160 nan 8.290 nan 0.000 0.511 297 A N 0.240 123.087 122.820 0.046 0.000 2.388 297 A HA 0.582 4.886 4.320 -0.027 0.000 0.257 297 A C 0.530 178.147 177.584 0.055 0.000 1.095 297 A CA 0.342 52.407 52.037 0.047 0.000 0.791 297 A CB 0.329 19.358 19.000 0.050 0.000 1.029 297 A HN 0.684 nan 8.150 nan 0.000 0.489 298 N N 1.704 120.433 118.700 0.048 0.000 2.438 298 N HA 0.204 4.928 4.740 -0.027 0.000 0.267 298 N C 1.130 176.675 175.510 0.058 0.000 1.222 298 N CA 0.572 53.653 53.050 0.051 0.000 0.930 298 N CB 1.064 39.574 38.487 0.038 0.000 1.083 298 N HN 0.606 nan 8.380 nan 0.000 0.476 299 A N 4.582 127.446 122.820 0.072 0.000 1.883 299 A HA -0.177 4.127 4.320 -0.027 0.000 0.217 299 A C 1.947 179.569 177.584 0.063 0.000 1.186 299 A CA 1.023 53.110 52.037 0.083 0.000 0.624 299 A CB -0.551 18.512 19.000 0.106 0.000 0.822 299 A HN 0.634 nan 8.150 nan 0.000 0.444 300 L N 0.068 121.320 121.223 0.048 0.000 2.017 300 L HA -0.153 4.171 4.340 -0.027 0.000 0.208 300 L C 1.795 178.679 176.870 0.022 0.000 1.073 300 L CA 2.269 57.126 54.840 0.029 0.000 0.745 300 L CB -0.906 41.161 42.059 0.014 0.000 0.894 300 L HN 0.348 nan 8.230 nan 0.000 0.432 301 D N -1.640 118.774 120.400 0.024 0.000 2.144 301 D HA -0.130 4.494 4.640 -0.027 0.000 0.200 301 D C 2.078 178.393 176.300 0.025 0.000 0.978 301 D CA 1.454 55.466 54.000 0.019 0.000 0.833 301 D CB -0.044 40.768 40.800 0.020 0.000 0.961 301 D HN 0.302 nan 8.370 nan 0.000 0.470 302 T N 0.456 115.032 114.554 0.036 0.000 2.708 302 T HA -0.117 4.217 4.350 -0.027 0.000 0.266 302 T C 2.012 176.737 174.700 0.041 0.000 1.037 302 T CA 1.562 63.688 62.100 0.043 0.000 1.146 302 T CB -0.334 68.569 68.868 0.058 0.000 0.865 302 T HN 0.181 nan 8.240 nan 0.000 0.435 303 A N 1.472 124.317 122.820 0.041 0.000 1.940 303 A HA 0.084 4.388 4.320 -0.027 0.000 0.219 303 A C 2.628 180.219 177.584 0.012 0.000 1.176 303 A CA 1.960 54.016 52.037 0.032 0.000 0.631 303 A CB -1.124 17.893 19.000 0.029 0.000 0.814 303 A HN 0.515 nan 8.150 nan 0.000 0.446 304 A N -0.073 122.750 122.820 0.005 0.000 1.865 304 A HA 0.107 4.411 4.320 -0.027 0.000 0.217 304 A C 2.519 180.104 177.584 0.002 0.000 1.191 304 A CA 2.302 54.335 52.037 -0.006 0.000 0.623 304 A CB -1.105 17.891 19.000 -0.006 0.000 0.826 304 A HN 1.149 nan 8.150 nan 0.000 0.444 305 A N -0.600 122.228 122.820 0.013 0.000 2.015 305 A HA 0.002 4.306 4.320 -0.027 0.000 0.219 305 A C 2.094 179.694 177.584 0.027 0.000 1.163 305 A CA 1.366 53.414 52.037 0.018 0.000 0.646 305 A CB -0.549 18.464 19.000 0.022 0.000 0.806 305 A HN 0.512 nan 8.150 nan 0.000 0.448 306 I N -1.317 119.272 120.570 0.033 0.000 2.202 306 I HA -0.184 3.970 4.170 -0.027 0.000 0.242 306 I C 2.632 178.778 176.117 0.049 0.000 1.091 306 I CA 1.292 62.620 61.300 0.046 0.000 1.368 306 I CB -0.140 37.893 38.000 0.055 0.000 1.058 306 I HN 0.189 nan 8.210 nan 0.000 0.410 307 R N 1.324 121.842 120.500 0.030 0.000 2.148 307 R HA -0.017 4.307 4.340 -0.027 0.000 0.227 307 R C 1.982 178.290 176.300 0.012 0.000 1.103 307 R CA 1.510 57.620 56.100 0.018 0.000 0.983 307 R CB -0.619 29.655 30.300 -0.044 0.000 0.874 307 R HN 0.370 nan 8.270 nan 0.000 0.451 308 A N -0.336 122.490 122.820 0.009 0.000 1.935 308 A HA -0.028 4.276 4.320 -0.027 0.000 0.214 308 A C 1.989 179.583 177.584 0.018 0.000 1.178 308 A CA 1.205 53.245 52.037 0.004 0.000 0.640 308 A CB -0.359 18.642 19.000 0.002 0.000 0.825 308 A HN 0.319 nan 8.150 nan 0.000 0.447 309 E N -0.137 120.083 120.200 0.032 0.000 2.077 309 E HA -0.143 4.191 4.350 -0.027 0.000 0.193 309 E C 1.687 178.323 176.600 0.060 0.000 0.989 309 E CA 0.928 57.356 56.400 0.048 0.000 0.800 309 E CB -0.277 29.453 29.700 0.050 0.000 0.746 309 E HN 0.315 nan 8.360 nan 0.000 0.452 310 L N 0.258 121.518 121.223 0.062 0.000 2.093 310 L HA 0.026 4.350 4.340 -0.027 0.000 0.208 310 L C 2.272 179.137 176.870 -0.007 0.000 1.085 310 L CA 1.833 56.715 54.840 0.070 0.000 0.755 310 L CB -1.482 40.642 42.059 0.108 0.000 0.904 310 L HN 0.244 nan 8.230 nan 0.000 0.435 311 A N -1.186 121.622 122.820 -0.019 0.000 1.933 311 A HA -0.193 4.111 4.320 -0.027 0.000 0.218 311 A C 2.265 179.794 177.584 -0.092 0.000 1.175 311 A CA 1.292 53.285 52.037 -0.073 0.000 0.628 311 A CB -0.369 18.601 19.000 -0.051 0.000 0.814 311 A HN 0.249 nan 8.150 nan 0.000 0.444 312 K N -1.133 119.256 120.400 -0.020 0.000 2.362 312 K HA 0.024 4.327 4.320 -0.027 0.000 0.200 312 K C 1.660 178.318 176.600 0.098 0.000 1.046 312 K CA 1.029 57.337 56.287 0.035 0.000 0.952 312 K CB -0.191 32.359 32.500 0.084 0.000 0.753 312 K HN 0.592 nan 8.250 nan 0.000 0.466 313 M N -0.489 119.144 119.600 0.055 0.000 2.466 313 M HA -0.036 4.428 4.480 -0.027 0.000 0.265 313 M C 1.596 177.831 176.300 -0.108 0.000 1.122 313 M CA 0.846 56.257 55.300 0.185 0.000 1.157 313 M CB 0.166 32.952 32.600 0.309 0.000 1.352 313 M HN 0.029 nan 8.290 nan 0.000 0.464 314 E N 0.573 120.421 120.200 -0.588 0.000 2.097 314 E HA -0.205 4.129 4.350 -0.027 0.000 0.196 314 E C -0.989 175.243 176.600 -0.614 0.000 1.000 314 E CA 1.294 57.049 56.400 -1.073 0.000 0.804 314 E CB -1.055 28.175 29.700 -0.783 0.000 0.740 314 E HN 0.377 nan 8.360 nan 0.000 0.454 315 P HA -0.128 nan 4.420 nan 0.000 0.231 315 P C 0.068 177.035 177.300 -0.555 0.000 1.158 315 P CA 1.116 63.840 63.100 -0.627 0.000 0.763 315 P CB -0.053 31.137 31.700 -0.849 0.000 0.805 316 F N -3.843 116.162 119.950 0.091 0.000 2.661 316 F HA 0.273 4.784 4.527 -0.027 0.000 0.306 316 F C 0.763 176.770 175.800 0.344 0.000 1.094 316 F CA -0.894 57.219 58.000 0.189 0.000 1.254 316 F CB -0.105 39.004 39.000 0.182 0.000 1.040 316 F HN -0.272 nan 8.300 nan 0.000 0.562 317 F N 3.929 123.939 119.950 0.100 0.000 2.506 317 F HA 0.244 4.755 4.527 -0.027 0.000 0.351 317 F C -1.495 174.257 175.800 -0.081 0.000 1.136 317 F CA -3.476 54.493 58.000 -0.051 0.000 1.298 317 F CB -0.144 38.788 39.000 -0.113 0.000 1.145 317 F HN -0.141 nan 8.300 nan 0.000 0.593 318 P HA 0.035 nan 4.420 nan 0.000 0.274 318 P C -0.463 176.819 177.300 -0.031 0.000 1.231 318 P CA -0.388 62.681 63.100 -0.052 0.000 0.790 318 P CB 0.793 32.408 31.700 -0.141 0.000 0.951 319 S N 0.918 116.620 115.700 0.002 0.000 2.810 319 S HA 0.157 4.611 4.470 -0.027 0.000 0.329 319 S C 1.491 176.083 174.600 -0.014 0.000 1.231 319 S CA 1.229 59.432 58.200 0.006 0.000 1.042 319 S CB -1.426 61.780 63.200 0.011 0.000 0.756 319 S HN 0.963 nan 8.310 nan 0.000 0.504 320 G N 3.508 112.309 108.800 0.001 0.000 2.199 320 G HA2 -0.208 3.736 3.960 -0.027 0.000 0.254 320 G HA3 -0.208 3.736 3.960 -0.027 0.000 0.254 320 G C 0.162 175.051 174.900 -0.018 0.000 0.982 320 G CA 0.128 45.225 45.100 -0.005 0.000 0.632 320 G HN 0.757 nan 8.290 nan 0.000 0.529 321 L N 0.907 122.108 121.223 -0.036 0.000 2.410 321 L HA 0.474 4.798 4.340 -0.027 0.000 0.273 321 L C 0.495 177.437 176.870 0.121 0.000 1.152 321 L CA 0.412 55.204 54.840 -0.081 0.000 0.855 321 L CB 1.159 42.978 42.059 -0.400 0.000 1.129 321 L HN 0.257 nan 8.230 nan 0.000 0.463 322 K N 4.559 124.991 120.400 0.052 0.000 2.482 322 K HA 0.505 4.809 4.320 -0.027 0.000 0.251 322 K C -0.954 175.651 176.600 0.008 0.000 0.936 322 K CA -0.696 55.636 56.287 0.075 0.000 0.791 322 K CB 1.837 34.346 32.500 0.016 0.000 1.213 322 K HN 0.431 nan 8.250 nan 0.000 0.428 323 I N 3.926 124.500 120.570 0.008 0.000 2.532 323 I HA 0.279 4.433 4.170 -0.027 0.000 0.292 323 I C 0.144 175.996 176.117 -0.442 0.000 1.014 323 I CA -0.750 60.416 61.300 -0.223 0.000 1.340 323 I CB 1.416 39.279 38.000 -0.228 0.000 1.422 323 I HN 0.356 nan 8.210 nan 0.000 0.528 324 V N 2.538 122.020 119.914 -0.720 0.000 3.130 324 V HA 0.502 4.606 4.120 -0.027 0.000 0.310 324 V C -1.561 173.937 176.094 -0.992 0.000 1.158 324 V CA -0.789 61.044 62.300 -0.777 0.000 1.029 324 V CB 1.943 33.200 31.823 -0.943 0.000 1.057 324 V HN 0.561 nan 8.190 nan 0.000 0.436 325 Y N 1.780 121.930 120.300 -0.249 0.000 2.748 325 Y HA 0.547 5.081 4.550 -0.027 0.000 0.359 325 Y C -1.956 173.863 175.900 -0.135 0.000 1.030 325 Y CA -1.703 56.283 58.100 -0.190 0.000 1.169 325 Y CB 1.417 39.810 38.460 -0.112 0.000 1.127 325 Y HN 0.562 nan 8.280 nan 0.000 0.644 326 P HA 0.017 nan 4.420 nan 0.000 0.257 326 P C -0.823 176.532 177.300 0.092 0.000 1.281 326 P CA 0.503 63.631 63.100 0.047 0.000 0.826 326 P CB 0.382 32.094 31.700 0.019 0.000 1.237 327 Y N 0.169 120.385 120.300 -0.140 0.000 2.246 327 Y HA 0.422 4.955 4.550 -0.028 0.000 0.315 327 Y C -2.144 173.726 175.900 -0.052 0.000 1.251 327 Y CA -0.982 57.060 58.100 -0.096 0.000 1.212 327 Y CB 0.866 39.196 38.460 -0.217 0.000 1.277 327 Y HN -0.260 nan 8.280 nan 0.000 0.398 328 D N 3.378 123.635 120.400 -0.237 0.000 2.861 328 D HA 0.182 4.806 4.640 -0.027 0.000 0.216 328 D C 0.212 176.445 176.300 -0.112 0.000 1.323 328 D CA 0.148 54.087 54.000 -0.101 0.000 0.917 328 D CB 1.774 42.568 40.800 -0.010 0.000 1.582 328 D HN 0.554 nan 8.370 nan 0.000 0.576 329 T N -0.137 114.396 114.554 -0.036 0.000 3.169 329 T HA 0.043 4.377 4.350 -0.027 0.000 0.250 329 T C 1.440 176.244 174.700 0.175 0.000 1.111 329 T CA 0.541 62.686 62.100 0.076 0.000 1.010 329 T CB 0.006 68.946 68.868 0.120 0.000 0.984 329 T HN 0.245 nan 8.240 nan 0.000 0.537 330 T N 3.241 117.863 114.554 0.113 0.000 2.643 330 T HA -0.015 4.319 4.350 -0.027 0.000 0.264 330 T C -0.476 174.299 174.700 0.124 0.000 1.045 330 T CA 1.393 63.551 62.100 0.097 0.000 1.155 330 T CB -1.206 67.688 68.868 0.042 0.000 0.863 330 T HN 0.403 nan 8.240 nan 0.000 0.420 331 P HA -0.160 nan 4.420 nan 0.000 0.217 331 P C 1.376 178.889 177.300 0.355 0.000 1.151 331 P CA 1.202 64.439 63.100 0.229 0.000 0.849 331 P CB -0.231 31.617 31.700 0.247 0.000 0.787 332 F N 1.208 121.332 119.950 0.290 0.000 2.060 332 F HA -0.169 4.341 4.527 -0.028 0.000 0.295 332 F C 2.181 177.984 175.800 0.005 0.000 1.120 332 F CA 1.317 59.433 58.000 0.193 0.000 1.205 332 F CB -1.143 38.009 39.000 0.254 0.000 0.986 332 F HN -0.329 nan 8.300 nan 0.000 0.470 333 V N 1.050 120.922 119.914 -0.070 0.000 2.278 333 V HA -0.399 3.705 4.120 -0.027 0.000 0.251 333 V C 2.480 178.434 176.094 -0.233 0.000 1.062 333 V CA 2.518 64.691 62.300 -0.213 0.000 1.038 333 V CB -0.903 30.912 31.823 -0.013 0.000 0.646 333 V HN 0.327 nan 8.190 nan 0.000 0.447 334 K N -0.674 119.659 120.400 -0.112 0.000 2.026 334 K HA -0.127 4.177 4.320 -0.027 0.000 0.208 334 K C 2.117 178.638 176.600 -0.132 0.000 1.048 334 K CA 1.910 58.142 56.287 -0.092 0.000 0.929 334 K CB -0.266 32.214 32.500 -0.033 0.000 0.713 334 K HN 0.423 nan 8.250 nan 0.000 0.439 335 I N 0.547 121.010 120.570 -0.177 0.000 2.761 335 I HA -0.190 3.964 4.170 -0.027 0.000 0.261 335 I C 1.665 177.579 176.117 -0.339 0.000 1.198 335 I CA 0.646 61.817 61.300 -0.215 0.000 1.482 335 I CB 0.182 38.004 38.000 -0.296 0.000 1.100 335 I HN 0.061 nan 8.210 nan 0.000 0.445 336 S N 0.899 116.270 115.700 -0.549 0.000 2.356 336 S HA -0.171 4.283 4.470 -0.027 0.000 0.223 336 S C 1.867 176.243 174.600 -0.374 0.000 1.032 336 S CA 1.644 59.482 58.200 -0.602 0.000 1.005 336 S CB -0.271 62.401 63.200 -0.881 0.000 0.867 336 S HN 0.384 nan 8.310 nan 0.000 0.449 337 I N 0.680 121.069 120.570 -0.301 0.000 2.202 337 I HA -0.191 3.963 4.170 -0.027 0.000 0.242 337 I C 2.387 178.414 176.117 -0.149 0.000 1.091 337 I CA 1.511 62.678 61.300 -0.222 0.000 1.368 337 I CB -0.409 37.490 38.000 -0.167 0.000 1.058 337 I HN 0.338 nan 8.210 nan 0.000 0.410 338 H N 1.233 120.192 119.070 -0.185 0.000 2.319 338 H HA -0.216 4.324 4.556 -0.027 0.000 0.297 338 H C 2.031 177.276 175.328 -0.138 0.000 1.097 338 H CA 1.973 57.936 56.048 -0.141 0.000 1.285 338 H CB 0.034 29.719 29.762 -0.128 0.000 1.368 338 H HN 0.199 nan 8.280 nan 0.000 0.495 339 E N -0.072 119.939 120.200 -0.315 0.000 2.150 339 E HA -0.086 4.248 4.350 -0.027 0.000 0.193 339 E C 2.563 179.016 176.600 -0.244 0.000 0.985 339 E CA 1.093 57.300 56.400 -0.320 0.000 0.814 339 E CB -0.198 29.367 29.700 -0.224 0.000 0.752 339 E HN 0.459 nan 8.360 nan 0.000 0.466 340 V N 0.647 120.428 119.914 -0.222 0.000 2.488 340 V HA -0.143 3.961 4.120 -0.027 0.000 0.246 340 V C 2.529 178.526 176.094 -0.161 0.000 1.046 340 V CA 0.861 63.054 62.300 -0.179 0.000 1.053 340 V CB -0.449 31.204 31.823 -0.282 0.000 0.679 340 V HN 0.036 nan 8.190 nan 0.000 0.458 341 V N 0.656 120.463 119.914 -0.178 0.000 2.343 341 V HA -0.306 3.798 4.120 -0.027 0.000 0.247 341 V C 2.495 178.499 176.094 -0.150 0.000 1.051 341 V CA 2.414 64.636 62.300 -0.131 0.000 1.036 341 V CB -0.736 31.029 31.823 -0.097 0.000 0.654 341 V HN 0.611 nan 8.190 nan 0.000 0.451 342 K N 0.472 120.721 120.400 -0.252 0.000 2.020 342 K HA -0.227 4.077 4.320 -0.027 0.000 0.212 342 K C 2.118 178.643 176.600 -0.125 0.000 1.050 342 K CA 2.517 58.671 56.287 -0.221 0.000 0.929 342 K CB -0.811 31.500 32.500 -0.315 0.000 0.714 342 K HN 0.442 nan 8.250 nan 0.000 0.443 343 T N 2.127 116.614 114.554 -0.112 0.000 2.684 343 T HA -0.150 4.184 4.350 -0.027 0.000 0.267 343 T C 1.541 176.211 174.700 -0.049 0.000 1.036 343 T CA 1.301 63.362 62.100 -0.064 0.000 1.148 343 T CB -0.331 68.514 68.868 -0.038 0.000 0.863 343 T HN 0.191 nan 8.240 nan 0.000 0.436 344 L N 1.465 122.656 121.223 -0.053 0.000 2.013 344 L HA -0.133 4.191 4.340 -0.027 0.000 0.212 344 L C 2.442 179.297 176.870 -0.025 0.000 1.073 344 L CA 1.956 56.775 54.840 -0.036 0.000 0.753 344 L CB -0.996 41.042 42.059 -0.034 0.000 0.890 344 L HN 0.181 nan 8.230 nan 0.000 0.432 345 V N 0.021 119.915 119.914 -0.033 0.000 2.358 345 V HA -0.238 3.866 4.120 -0.027 0.000 0.246 345 V C 2.433 178.517 176.094 -0.017 0.000 1.047 345 V CA 1.672 63.958 62.300 -0.024 0.000 1.035 345 V CB -0.523 31.281 31.823 -0.032 0.000 0.658 345 V HN 0.448 nan 8.190 nan 0.000 0.452 346 E N 0.234 120.420 120.200 -0.025 0.000 2.265 346 E HA -0.151 4.183 4.350 -0.027 0.000 0.196 346 E C 2.231 178.829 176.600 -0.003 0.000 0.996 346 E CA 1.129 57.521 56.400 -0.013 0.000 0.832 346 E CB -0.248 29.438 29.700 -0.022 0.000 0.756 346 E HN 0.629 nan 8.360 nan 0.000 0.491 347 A N 0.894 123.708 122.820 -0.011 0.000 1.872 347 A HA -0.118 4.186 4.320 -0.027 0.000 0.214 347 A C 2.124 179.719 177.584 0.018 0.000 1.187 347 A CA 0.822 52.854 52.037 -0.009 0.000 0.614 347 A CB -0.417 18.567 19.000 -0.026 0.000 0.826 347 A HN 0.117 nan 8.150 nan 0.000 0.442 348 I N -0.301 120.282 120.570 0.021 0.000 2.179 348 I HA -0.265 3.889 4.170 -0.027 0.000 0.242 348 I C 2.295 178.459 176.117 0.079 0.000 1.088 348 I CA 1.382 62.707 61.300 0.043 0.000 1.357 348 I CB -0.343 37.669 38.000 0.021 0.000 1.051 348 I HN 0.268 nan 8.210 nan 0.000 0.409 349 I N -0.063 120.542 120.570 0.059 0.000 2.286 349 I HA -0.285 3.869 4.170 -0.027 0.000 0.248 349 I C 2.329 178.535 176.117 0.148 0.000 1.115 349 I CA 1.219 62.578 61.300 0.098 0.000 1.392 349 I CB -0.075 37.954 38.000 0.049 0.000 1.065 349 I HN 0.194 nan 8.210 nan 0.000 0.418 350 L N -0.397 120.879 121.223 0.088 0.000 2.072 350 L HA -0.113 4.211 4.340 -0.027 0.000 0.205 350 L C 2.370 179.286 176.870 0.078 0.000 1.079 350 L CA 1.417 56.299 54.840 0.070 0.000 0.752 350 L CB -0.588 41.492 42.059 0.035 0.000 0.906 350 L HN -0.012 nan 8.230 nan 0.000 0.436 351 V N -0.734 119.230 119.914 0.084 0.000 2.332 351 V HA -0.336 3.768 4.120 -0.027 0.000 0.248 351 V C 2.323 178.486 176.094 0.115 0.000 1.055 351 V CA 1.901 64.251 62.300 0.085 0.000 1.038 351 V CB -0.762 31.108 31.823 0.078 0.000 0.651 351 V HN 0.429 nan 8.190 nan 0.000 0.450 352 F N 0.583 120.539 119.950 0.010 0.000 2.120 352 F HA -0.228 4.283 4.527 -0.027 0.000 0.300 352 F C 1.958 177.767 175.800 0.015 0.000 1.095 352 F CA 1.819 59.823 58.000 0.006 0.000 1.249 352 F CB -0.325 38.668 39.000 -0.010 0.000 0.995 352 F HN 0.067 nan 8.300 nan 0.000 0.480 353 L N -0.883 120.265 121.223 -0.125 0.000 2.156 353 L HA -0.149 4.175 4.340 -0.027 0.000 0.208 353 L C 2.292 179.101 176.870 -0.102 0.000 1.095 353 L CA 0.597 55.314 54.840 -0.205 0.000 0.770 353 L CB -0.680 41.344 42.059 -0.058 0.000 0.914 353 L HN 0.011 nan 8.230 nan 0.000 0.439 354 V N -0.277 119.626 119.914 -0.019 0.000 2.261 354 V HA -0.336 3.768 4.120 -0.027 0.000 0.246 354 V C 2.469 178.607 176.094 0.072 0.000 1.047 354 V CA 2.072 64.408 62.300 0.060 0.000 1.015 354 V CB -0.543 31.324 31.823 0.074 0.000 0.642 354 V HN 0.391 nan 8.190 nan 0.000 0.446 355 M N -1.431 118.153 119.600 -0.026 0.000 2.117 355 M HA -0.192 4.272 4.480 -0.027 0.000 0.262 355 M C 2.308 178.536 176.300 -0.120 0.000 1.065 355 M CA 2.243 57.504 55.300 -0.065 0.000 1.114 355 M CB -0.576 31.979 32.600 -0.076 0.000 1.361 355 M HN 0.400 nan 8.290 nan 0.000 0.408 356 Y N 1.079 121.146 120.300 -0.388 0.000 2.163 356 Y HA -0.110 4.423 4.550 -0.027 0.000 0.288 356 Y C 1.684 177.384 175.900 -0.334 0.000 1.136 356 Y CA 1.360 59.172 58.100 -0.480 0.000 1.147 356 Y CB -0.032 37.927 38.460 -0.835 0.000 0.987 356 Y HN 0.045 nan 8.280 nan 0.000 0.509 357 L N -0.255 120.900 121.223 -0.114 0.000 2.762 357 L HA -0.069 4.255 4.340 -0.027 0.000 0.250 357 L C 0.655 177.300 176.870 -0.375 0.000 1.160 357 L CA 0.620 55.293 54.840 -0.278 0.000 0.951 357 L CB -0.487 41.418 42.059 -0.256 0.000 1.148 357 L HN 0.302 nan 8.230 nan 0.000 0.424 358 F N -2.199 117.560 119.950 -0.320 0.000 2.455 358 F HA 0.149 4.660 4.527 -0.027 0.000 0.278 358 F C 1.660 177.285 175.800 -0.292 0.000 0.887 358 F CA -0.024 57.802 58.000 -0.291 0.000 1.104 358 F CB 0.509 39.360 39.000 -0.249 0.000 0.949 358 F HN -0.198 nan 8.300 nan 0.000 0.750 359 L N 0.635 121.797 121.223 -0.103 0.000 2.477 359 L HA 0.017 4.341 4.340 -0.027 0.000 0.220 359 L C 0.461 177.121 176.870 -0.350 0.000 1.106 359 L CA 0.345 55.071 54.840 -0.189 0.000 0.851 359 L CB -0.439 41.510 42.059 -0.183 0.000 0.994 359 L HN 0.206 nan 8.230 nan 0.000 0.462 360 Q N 0.736 120.176 119.800 -0.600 0.000 2.406 360 Q HA -0.296 4.028 4.340 -0.027 0.000 0.339 360 Q C -0.340 175.225 176.000 -0.725 0.000 1.337 360 Q CA 0.769 56.060 55.803 -0.853 0.000 0.985 360 Q CB -2.343 26.130 28.738 -0.442 0.000 1.216 360 Q HN 0.714 nan 8.270 nan 0.000 0.415 361 N N -1.069 117.149 118.700 -0.803 0.000 2.452 361 N HA 0.258 4.982 4.740 -0.027 0.000 0.277 361 N C -0.530 174.916 175.510 -0.106 0.000 1.078 361 N CA -0.581 52.285 53.050 -0.307 0.000 0.947 361 N CB 0.827 39.228 38.487 -0.143 0.000 1.655 361 N HN 0.049 nan 8.380 nan 0.000 0.490 362 F N 2.660 122.717 119.950 0.178 0.000 2.051 362 F HA -0.119 4.392 4.527 -0.027 0.000 0.296 362 F C 2.609 178.539 175.800 0.216 0.000 1.122 362 F CA 1.591 59.797 58.000 0.342 0.000 1.201 362 F CB 0.139 39.309 39.000 0.283 0.000 0.978 362 F HN 0.575 nan 8.300 nan 0.000 0.472 363 R N 0.416 121.115 120.500 0.331 0.000 2.120 363 R HA -0.070 4.254 4.340 -0.027 0.000 0.234 363 R C 2.219 178.604 176.300 0.142 0.000 1.123 363 R CA 1.244 57.471 56.100 0.212 0.000 0.975 363 R CB -1.267 29.121 30.300 0.146 0.000 0.866 363 R HN 0.282 nan 8.270 nan 0.000 0.446 364 A N 1.858 124.729 122.820 0.085 0.000 1.902 364 A HA -0.152 4.152 4.320 -0.027 0.000 0.217 364 A C 2.322 179.926 177.584 0.032 0.000 1.181 364 A CA 1.896 53.948 52.037 0.025 0.000 0.623 364 A CB -0.825 18.152 19.000 -0.039 0.000 0.818 364 A HN 0.580 nan 8.150 nan 0.000 0.443 365 T N -2.875 111.709 114.554 0.050 0.000 3.129 365 T HA 0.265 4.599 4.350 -0.027 0.000 0.251 365 T C 1.540 176.387 174.700 0.245 0.000 1.117 365 T CA 0.565 62.712 62.100 0.079 0.000 1.034 365 T CB -0.175 68.670 68.868 -0.039 0.000 0.968 365 T HN 0.251 nan 8.240 nan 0.000 0.526 366 L N -0.051 121.325 121.223 0.255 0.000 2.209 366 L HA 0.247 4.571 4.340 -0.027 0.000 0.207 366 L C 2.422 179.385 176.870 0.155 0.000 1.094 366 L CA 0.633 55.621 54.840 0.246 0.000 0.790 366 L CB -0.241 41.968 42.059 0.250 0.000 0.932 366 L HN 0.276 nan 8.230 nan 0.000 0.447 367 I N 0.456 121.093 120.570 0.111 0.000 2.127 367 I HA -0.224 3.930 4.170 -0.027 0.000 0.241 367 I C -0.459 175.680 176.117 0.037 0.000 1.075 367 I CA 1.451 62.784 61.300 0.056 0.000 1.334 367 I CB -1.527 36.488 38.000 0.025 0.000 1.040 367 I HN 0.231 nan 8.210 nan 0.000 0.405 368 P HA -0.057 nan 4.420 nan 0.000 0.222 368 P C 1.480 178.818 177.300 0.064 0.000 1.153 368 P CA 1.239 64.362 63.100 0.038 0.000 0.798 368 P CB -0.138 31.580 31.700 0.030 0.000 0.796 369 T N -0.322 114.295 114.554 0.106 0.000 2.867 369 T HA -0.037 4.297 4.350 -0.027 0.000 0.268 369 T C 1.719 176.464 174.700 0.075 0.000 1.057 369 T CA 0.901 63.068 62.100 0.112 0.000 1.136 369 T CB -0.799 68.165 68.868 0.160 0.000 0.874 369 T HN 0.111 nan 8.240 nan 0.000 0.466 370 I N 1.555 122.171 120.570 0.076 0.000 2.454 370 I HA -0.138 4.016 4.170 -0.027 0.000 0.254 370 I C 2.842 178.981 176.117 0.037 0.000 1.156 370 I CA 0.771 62.114 61.300 0.071 0.000 1.433 370 I CB -0.444 37.600 38.000 0.074 0.000 1.082 370 I HN 0.195 nan 8.210 nan 0.000 0.432 371 A N 0.510 123.342 122.820 0.019 0.000 2.019 371 A HA -0.103 4.201 4.320 -0.027 0.000 0.219 371 A C 2.406 180.005 177.584 0.025 0.000 1.164 371 A CA 1.263 53.305 52.037 0.009 0.000 0.644 371 A CB -0.684 18.318 19.000 0.002 0.000 0.805 371 A HN 0.244 nan 8.150 nan 0.000 0.449 372 V N 1.209 121.145 119.914 0.038 0.000 2.233 372 V HA -0.170 3.934 4.120 -0.027 0.000 0.247 372 V C 0.078 176.201 176.094 0.047 0.000 1.050 372 V CA 2.469 64.792 62.300 0.039 0.000 1.010 372 V CB -1.644 30.205 31.823 0.042 0.000 0.637 372 V HN 0.466 nan 8.190 nan 0.000 0.444 373 P HA -0.060 nan 4.420 nan 0.000 0.219 373 P C 1.890 179.238 177.300 0.080 0.000 1.150 373 P CA 1.276 64.420 63.100 0.073 0.000 0.814 373 P CB -0.064 31.680 31.700 0.072 0.000 0.787 374 V N 0.355 120.309 119.914 0.066 0.000 2.261 374 V HA -0.187 3.917 4.120 -0.027 0.000 0.246 374 V C 2.831 178.955 176.094 0.050 0.000 1.047 374 V CA 1.774 64.110 62.300 0.060 0.000 1.015 374 V CB -1.222 30.622 31.823 0.034 0.000 0.642 374 V HN -0.061 nan 8.190 nan 0.000 0.446 375 V N -0.402 119.531 119.914 0.031 0.000 2.307 375 V HA -0.219 3.885 4.120 -0.027 0.000 0.245 375 V C 2.317 178.414 176.094 0.006 0.000 1.045 375 V CA 1.846 64.153 62.300 0.012 0.000 1.024 375 V CB -0.495 31.326 31.823 -0.002 0.000 0.651 375 V HN 0.410 nan 8.190 nan 0.000 0.449 376 L N -0.781 120.453 121.223 0.019 0.000 2.017 376 L HA -0.181 4.143 4.340 -0.027 0.000 0.208 376 L C 2.436 179.381 176.870 0.125 0.000 1.073 376 L CA 1.584 56.425 54.840 0.003 0.000 0.745 376 L CB -0.478 41.605 42.059 0.039 0.000 0.894 376 L HN 0.312 nan 8.230 nan 0.000 0.432 377 L N -0.657 120.690 121.223 0.206 0.000 2.046 377 L HA -0.134 4.190 4.340 -0.027 0.000 0.208 377 L C 2.675 179.665 176.870 0.200 0.000 1.077 377 L CA 1.309 56.314 54.840 0.275 0.000 0.747 377 L CB -1.106 41.048 42.059 0.159 0.000 0.896 377 L HN 0.312 nan 8.230 nan 0.000 0.432 378 G N -0.631 108.237 108.800 0.113 0.000 2.446 378 G HA2 -0.272 3.672 3.960 -0.027 0.000 0.217 378 G HA3 -0.272 3.672 3.960 -0.027 0.000 0.217 378 G C 1.558 176.494 174.900 0.060 0.000 1.168 378 G CA 1.403 46.552 45.100 0.081 0.000 0.771 378 G HN 0.287 nan 8.290 nan 0.000 0.551 379 T N 0.818 115.371 114.554 -0.001 0.000 2.759 379 T HA -0.099 4.235 4.350 -0.027 0.000 0.269 379 T C 2.038 176.683 174.700 -0.093 0.000 1.042 379 T CA 1.074 63.114 62.100 -0.099 0.000 1.140 379 T CB -0.343 68.400 68.868 -0.207 0.000 0.864 379 T HN 0.283 nan 8.240 nan 0.000 0.455 380 F N 1.445 121.386 119.950 -0.015 0.000 2.134 380 F HA -0.086 4.425 4.527 -0.028 0.000 0.299 380 F C 2.698 178.514 175.800 0.027 0.000 1.097 380 F CA 0.873 58.872 58.000 -0.001 0.000 1.264 380 F CB -0.412 38.587 39.000 -0.001 0.000 1.001 380 F HN 0.130 nan 8.300 nan 0.000 0.479 381 A N -0.206 122.753 122.820 0.231 0.000 1.908 381 A HA -0.164 4.140 4.320 -0.027 0.000 0.218 381 A C 2.244 179.927 177.584 0.165 0.000 1.181 381 A CA 1.944 54.079 52.037 0.164 0.000 0.627 381 A CB -1.216 17.860 19.000 0.127 0.000 0.818 381 A HN 0.190 nan 8.150 nan 0.000 0.445 382 V N 0.199 120.195 119.914 0.137 0.000 2.407 382 V HA -0.255 3.849 4.120 -0.027 0.000 0.248 382 V C 2.525 178.751 176.094 0.222 0.000 1.055 382 V CA 1.894 64.296 62.300 0.169 0.000 1.049 382 V CB -0.907 30.932 31.823 0.026 0.000 0.662 382 V HN 0.566 nan 8.190 nan 0.000 0.455 383 L N 0.499 121.797 121.223 0.123 0.000 2.017 383 L HA -0.114 4.210 4.340 -0.027 0.000 0.208 383 L C 2.820 179.872 176.870 0.305 0.000 1.073 383 L CA 1.660 56.609 54.840 0.181 0.000 0.745 383 L CB -1.056 41.074 42.059 0.118 0.000 0.894 383 L HN 0.308 nan 8.230 nan 0.000 0.432 384 A N 0.337 123.298 122.820 0.235 0.000 1.917 384 A HA -0.227 4.077 4.320 -0.027 0.000 0.219 384 A C 2.517 180.201 177.584 0.168 0.000 1.182 384 A CA 2.083 54.231 52.037 0.185 0.000 0.633 384 A CB -0.821 18.263 19.000 0.139 0.000 0.819 384 A HN 0.427 nan 8.150 nan 0.000 0.448 385 A N -2.081 120.853 122.820 0.190 0.000 2.014 385 A HA 0.162 4.466 4.320 -0.027 0.000 0.218 385 A C 1.534 179.101 177.584 -0.028 0.000 1.163 385 A CA 1.085 53.169 52.037 0.078 0.000 0.652 385 A CB -0.461 18.596 19.000 0.096 0.000 0.808 385 A HN 0.491 nan 8.150 nan 0.000 0.449 386 F N -0.906 119.159 119.950 0.191 0.000 2.639 386 F HA 0.380 4.891 4.527 -0.027 0.000 0.302 386 F C 1.642 177.607 175.800 0.276 0.000 1.097 386 F CA 0.525 58.687 58.000 0.270 0.000 1.294 386 F CB 0.496 39.718 39.000 0.371 0.000 1.027 386 F HN 0.325 nan 8.300 nan 0.000 0.550 387 G N 0.256 109.233 108.800 0.296 0.000 2.153 387 G HA2 -0.329 3.615 3.960 -0.027 0.000 0.252 387 G HA3 -0.329 3.615 3.960 -0.027 0.000 0.252 387 G C 0.259 175.206 174.900 0.078 0.000 0.994 387 G CA -0.236 44.943 45.100 0.132 0.000 0.698 387 G HN 0.277 nan 8.290 nan 0.000 0.521 388 F N 1.143 121.169 119.950 0.126 0.000 2.390 388 F HA 0.601 5.117 4.527 -0.020 0.000 0.307 388 F C 1.285 177.132 175.800 0.079 0.000 1.227 388 F CA 0.423 58.479 58.000 0.094 0.000 1.179 388 F CB 1.118 40.165 39.000 0.078 0.000 1.280 388 F HN 0.329 nan 8.300 nan 0.000 0.548 389 S N -0.313 115.544 115.700 0.260 0.000 2.709 389 S HA 0.633 5.087 4.470 -0.027 0.000 0.302 389 S C -0.851 173.833 174.600 0.140 0.000 1.127 389 S CA -0.961 57.336 58.200 0.161 0.000 0.905 389 S CB 1.233 64.495 63.200 0.102 0.000 1.151 389 S HN 0.426 nan 8.310 nan 0.000 0.510 390 I N 3.203 123.842 120.570 0.115 0.000 2.329 390 I HA 0.234 4.388 4.170 -0.027 0.000 0.295 390 I C -0.227 175.894 176.117 0.007 0.000 1.109 390 I CA -0.247 61.107 61.300 0.090 0.000 1.297 390 I CB -0.831 37.245 38.000 0.128 0.000 1.433 390 I HN 0.702 nan 8.210 nan 0.000 0.509 391 N N 1.817 120.492 118.700 -0.041 0.000 2.577 391 N HA 0.351 5.075 4.740 -0.027 0.000 0.285 391 N C 0.873 176.236 175.510 -0.245 0.000 1.309 391 N CA -0.643 52.347 53.050 -0.101 0.000 0.798 391 N CB 0.592 39.070 38.487 -0.014 0.000 1.463 391 N HN 0.348 nan 8.380 nan 0.000 0.518 392 T N -2.029 112.316 114.554 -0.347 0.000 2.803 392 T HA -0.128 4.206 4.350 -0.027 0.000 0.269 392 T C 1.487 175.696 174.700 -0.818 0.000 1.052 392 T CA 1.000 62.700 62.100 -0.668 0.000 1.136 392 T CB -0.607 67.873 68.868 -0.646 0.000 0.864 392 T HN 0.418 nan 8.240 nan 0.000 0.467 393 L N 1.600 122.652 121.223 -0.285 0.000 2.056 393 L HA -0.060 4.264 4.340 -0.027 0.000 0.207 393 L C 3.333 179.910 176.870 -0.489 0.000 1.078 393 L CA 1.832 56.574 54.840 -0.165 0.000 0.749 393 L CB -1.229 40.887 42.059 0.095 0.000 0.901 393 L HN 0.517 nan 8.230 nan 0.000 0.433 394 T N -3.033 111.320 114.554 -0.336 0.000 2.821 394 T HA -0.143 4.191 4.350 -0.027 0.000 0.267 394 T C 1.887 176.377 174.700 -0.351 0.000 1.046 394 T CA 0.830 62.733 62.100 -0.329 0.000 1.139 394 T CB -0.147 68.609 68.868 -0.187 0.000 0.871 394 T HN 0.053 nan 8.240 nan 0.000 0.454 395 M N 0.544 119.927 119.600 -0.362 0.000 2.175 395 M HA 0.192 4.656 4.480 -0.027 0.000 0.264 395 M C 2.139 178.297 176.300 -0.238 0.000 1.063 395 M CA 0.986 56.093 55.300 -0.321 0.000 1.119 395 M CB -1.448 30.944 32.600 -0.347 0.000 1.377 395 M HN 0.305 nan 8.290 nan 0.000 0.415 396 F N 0.499 120.329 119.950 -0.200 0.000 2.095 396 F HA -0.180 4.331 4.527 -0.027 0.000 0.298 396 F C 2.612 178.372 175.800 -0.066 0.000 1.104 396 F CA 0.904 58.840 58.000 -0.107 0.000 1.232 396 F CB -1.019 37.974 39.000 -0.011 0.000 0.987 396 F HN 0.268 nan 8.300 nan 0.000 0.475 397 G N 0.408 109.169 108.800 -0.064 0.000 2.491 397 G HA2 -0.292 3.652 3.960 -0.027 0.000 0.218 397 G HA3 -0.292 3.652 3.960 -0.027 0.000 0.218 397 G C 1.591 176.449 174.900 -0.070 0.000 1.180 397 G CA 1.161 46.224 45.100 -0.061 0.000 0.774 397 G HN 0.207 nan 8.290 nan 0.000 0.562 398 M N 0.024 119.536 119.600 -0.146 0.000 2.117 398 M HA -0.067 4.397 4.480 -0.027 0.000 0.262 398 M C 2.727 178.989 176.300 -0.063 0.000 1.065 398 M CA 0.965 56.177 55.300 -0.147 0.000 1.114 398 M CB -0.611 31.851 32.600 -0.230 0.000 1.361 398 M HN 0.130 nan 8.290 nan 0.000 0.408 399 V N 0.565 120.465 119.914 -0.023 0.000 2.343 399 V HA -0.240 3.864 4.120 -0.027 0.000 0.247 399 V C 2.381 178.476 176.094 0.001 0.000 1.051 399 V CA 1.345 63.645 62.300 0.000 0.000 1.036 399 V CB -0.630 31.217 31.823 0.040 0.000 0.654 399 V HN 0.312 nan 8.190 nan 0.000 0.451 400 L N 0.420 121.677 121.223 0.056 0.000 2.093 400 L HA -0.047 4.277 4.340 -0.027 0.000 0.208 400 L C 2.513 179.480 176.870 0.161 0.000 1.085 400 L CA 2.151 57.062 54.840 0.119 0.000 0.755 400 L CB -1.229 40.958 42.059 0.214 0.000 0.904 400 L HN 0.304 nan 8.230 nan 0.000 0.435 401 A N -1.078 121.781 122.820 0.065 0.000 2.066 401 A HA -0.078 4.226 4.320 -0.027 0.000 0.218 401 A C 2.275 179.894 177.584 0.058 0.000 1.157 401 A CA 0.927 52.989 52.037 0.043 0.000 0.670 401 A CB -0.544 18.431 19.000 -0.041 0.000 0.804 401 A HN 0.373 nan 8.150 nan 0.000 0.453 402 I N -0.137 120.460 120.570 0.044 0.000 2.113 402 I HA -0.185 3.969 4.170 -0.027 0.000 0.238 402 I C 2.322 178.484 176.117 0.074 0.000 1.070 402 I CA 1.361 62.684 61.300 0.038 0.000 1.332 402 I CB -0.528 37.480 38.000 0.013 0.000 1.044 402 I HN 0.382 nan 8.210 nan 0.000 0.402 403 G N -0.229 108.632 108.800 0.101 0.000 3.295 403 G HA2 0.175 4.119 3.960 -0.027 0.000 0.231 403 G HA3 0.175 4.119 3.960 -0.027 0.000 0.231 403 G C 0.821 175.891 174.900 0.284 0.000 1.277 403 G CA 0.162 45.364 45.100 0.170 0.000 1.013 403 G HN 0.200 nan 8.290 nan 0.000 0.509 404 L N -0.919 120.421 121.223 0.195 0.000 2.718 404 L HA 0.286 4.610 4.340 -0.027 0.000 0.247 404 L C 2.053 178.966 176.870 0.072 0.000 1.028 404 L CA 0.489 55.418 54.840 0.148 0.000 1.031 404 L CB -0.095 42.071 42.059 0.179 0.000 1.910 404 L HN 0.167 nan 8.230 nan 0.000 0.526 405 L N -1.157 120.101 121.223 0.057 0.000 2.217 405 L HA 0.084 4.408 4.340 -0.027 0.000 0.211 405 L C 1.981 178.866 176.870 0.026 0.000 1.107 405 L CA 1.849 56.705 54.840 0.028 0.000 0.783 405 L CB -1.417 40.650 42.059 0.013 0.000 0.919 405 L HN 0.061 nan 8.230 nan 0.000 0.442 406 V N -3.560 116.376 119.914 0.037 0.000 3.041 406 V HA -0.041 4.063 4.120 -0.027 0.000 0.260 406 V C 1.852 177.956 176.094 0.015 0.000 1.105 406 V CA 1.246 63.562 62.300 0.028 0.000 1.125 406 V CB -0.954 30.892 31.823 0.038 0.000 0.730 406 V HN 0.285 nan 8.190 nan 0.000 0.479 407 D N 1.413 121.826 120.400 0.021 0.000 2.133 407 D HA -0.186 4.438 4.640 -0.027 0.000 0.195 407 D C 1.825 178.126 176.300 0.001 0.000 0.997 407 D CA 2.061 56.066 54.000 0.008 0.000 0.840 407 D CB -0.328 40.481 40.800 0.015 0.000 0.947 407 D HN 0.491 nan 8.370 nan 0.000 0.452 408 D N -0.393 120.011 120.400 0.007 0.000 2.097 408 D HA -0.014 4.610 4.640 -0.027 0.000 0.197 408 D C 1.989 178.287 176.300 -0.004 0.000 0.984 408 D CA 1.419 55.423 54.000 0.006 0.000 0.826 408 D CB -0.312 40.492 40.800 0.006 0.000 0.973 408 D HN 0.151 nan 8.370 nan 0.000 0.460 409 A N 0.201 123.016 122.820 -0.008 0.000 1.930 409 A HA -0.109 4.195 4.320 -0.027 0.000 0.217 409 A C 2.297 179.868 177.584 -0.022 0.000 1.175 409 A CA 0.797 52.824 52.037 -0.016 0.000 0.627 409 A CB -0.655 18.338 19.000 -0.012 0.000 0.815 409 A HN 0.217 nan 8.150 nan 0.000 0.443 410 I N -0.646 119.908 120.570 -0.027 0.000 2.179 410 I HA -0.213 3.941 4.170 -0.027 0.000 0.242 410 I C 2.343 178.427 176.117 -0.055 0.000 1.088 410 I CA 1.069 62.338 61.300 -0.052 0.000 1.357 410 I CB -0.301 37.655 38.000 -0.073 0.000 1.051 410 I HN 0.147 nan 8.210 nan 0.000 0.409 411 V N 0.492 120.385 119.914 -0.035 0.000 2.392 411 V HA -0.262 3.842 4.120 -0.027 0.000 0.249 411 V C 2.376 178.465 176.094 -0.008 0.000 1.059 411 V CA 1.628 63.916 62.300 -0.019 0.000 1.051 411 V CB -0.373 31.461 31.823 0.018 0.000 0.658 411 V HN 0.236 nan 8.190 nan 0.000 0.455 412 V N -0.522 119.386 119.914 -0.011 0.000 2.229 412 V HA -0.209 3.895 4.120 -0.027 0.000 0.243 412 V C 2.372 178.451 176.094 -0.026 0.000 1.042 412 V CA 2.044 64.334 62.300 -0.016 0.000 1.000 412 V CB -0.490 31.316 31.823 -0.027 0.000 0.637 412 V HN 0.384 nan 8.190 nan 0.000 0.446 413 V N 0.088 119.982 119.914 -0.033 0.000 2.332 413 V HA -0.259 3.845 4.120 -0.027 0.000 0.248 413 V C 2.627 178.696 176.094 -0.042 0.000 1.055 413 V CA 2.206 64.484 62.300 -0.036 0.000 1.038 413 V CB -0.705 31.098 31.823 -0.034 0.000 0.651 413 V HN 0.615 nan 8.190 nan 0.000 0.450 414 E N 0.760 120.928 120.200 -0.054 0.000 2.077 414 E HA -0.258 4.076 4.350 -0.027 0.000 0.193 414 E C 1.971 178.546 176.600 -0.042 0.000 0.989 414 E CA 1.792 58.155 56.400 -0.061 0.000 0.800 414 E CB -0.280 29.365 29.700 -0.091 0.000 0.746 414 E HN 0.667 nan 8.360 nan 0.000 0.452 415 N N -0.707 117.974 118.700 -0.032 0.000 2.459 415 N HA -0.080 4.644 4.740 -0.027 0.000 0.181 415 N C 1.604 177.108 175.510 -0.010 0.000 1.046 415 N CA 0.579 53.620 53.050 -0.015 0.000 0.904 415 N CB 0.341 38.838 38.487 0.017 0.000 0.964 415 N HN -0.035 nan 8.380 nan 0.000 0.444 416 V N 0.470 120.372 119.914 -0.020 0.000 2.446 416 V HA -0.055 4.049 4.120 -0.027 0.000 0.244 416 V C 1.984 178.062 176.094 -0.026 0.000 1.039 416 V CA 1.179 63.466 62.300 -0.022 0.000 1.045 416 V CB -0.266 31.540 31.823 -0.028 0.000 0.681 416 V HN 0.294 nan 8.190 nan 0.000 0.459 417 E N 0.246 120.428 120.200 -0.029 0.000 2.072 417 E HA -0.187 4.147 4.350 -0.027 0.000 0.191 417 E C 2.358 178.938 176.600 -0.034 0.000 0.985 417 E CA 0.787 57.167 56.400 -0.033 0.000 0.801 417 E CB -0.308 29.372 29.700 -0.034 0.000 0.750 417 E HN 0.318 nan 8.360 nan 0.000 0.452 418 R N 1.127 121.613 120.500 -0.023 0.000 2.115 418 R HA -0.060 4.264 4.340 -0.027 0.000 0.230 418 R C 2.204 178.487 176.300 -0.027 0.000 1.111 418 R CA 0.547 56.639 56.100 -0.013 0.000 0.976 418 R CB -0.189 30.113 30.300 0.002 0.000 0.870 418 R HN 0.045 nan 8.270 nan 0.000 0.445 419 V N 0.801 120.702 119.914 -0.022 0.000 2.379 419 V HA -0.192 3.912 4.120 -0.027 0.000 0.245 419 V C 2.432 178.504 176.094 -0.037 0.000 1.044 419 V CA 1.399 63.688 62.300 -0.018 0.000 1.036 419 V CB -0.301 31.521 31.823 -0.002 0.000 0.664 419 V HN 0.297 nan 8.190 nan 0.000 0.453 420 M N -0.500 119.074 119.600 -0.044 0.000 2.279 420 M HA -0.131 4.333 4.480 -0.027 0.000 0.264 420 M C 2.107 178.355 176.300 -0.087 0.000 1.062 420 M CA 1.870 57.139 55.300 -0.051 0.000 1.099 420 M CB -0.335 32.240 32.600 -0.041 0.000 1.394 420 M HN 0.428 nan 8.290 nan 0.000 0.426 421 A N -0.810 121.926 122.820 -0.140 0.000 1.997 421 A HA -0.055 4.249 4.320 -0.027 0.000 0.212 421 A C 1.901 179.281 177.584 -0.340 0.000 1.178 421 A CA 0.837 52.707 52.037 -0.279 0.000 0.698 421 A CB -0.288 18.473 19.000 -0.398 0.000 0.842 421 A HN 0.434 nan 8.150 nan 0.000 0.458 422 E N -0.437 119.643 120.200 -0.200 0.000 2.112 422 E HA -0.116 4.218 4.350 -0.027 0.000 0.190 422 E C 1.662 178.245 176.600 -0.029 0.000 0.979 422 E CA 1.224 57.577 56.400 -0.078 0.000 0.814 422 E CB 0.107 29.809 29.700 0.004 0.000 0.762 422 E HN 0.749 nan 8.360 nan 0.000 0.460 423 E N -1.772 118.409 120.200 -0.032 0.000 2.288 423 E HA 0.185 4.519 4.350 -0.027 0.000 0.200 423 E C 0.513 177.103 176.600 -0.016 0.000 0.880 423 E CA 0.458 56.852 56.400 -0.010 0.000 0.971 423 E CB 1.219 30.920 29.700 0.001 0.000 0.954 423 E HN 0.218 nan 8.360 nan 0.000 0.489 424 G N 1.943 110.726 108.800 -0.027 0.000 2.288 424 G HA2 -0.188 3.756 3.960 -0.027 0.000 0.205 424 G HA3 -0.188 3.756 3.960 -0.027 0.000 0.205 424 G C -0.277 174.616 174.900 -0.012 0.000 1.071 424 G CA -0.230 44.856 45.100 -0.024 0.000 0.788 424 G HN 0.014 nan 8.290 nan 0.000 0.491 425 L N -0.025 121.191 121.223 -0.010 0.000 2.399 425 L HA 0.553 4.877 4.340 -0.027 0.000 0.265 425 L C -1.397 175.470 176.870 -0.005 0.000 1.089 425 L CA -2.436 52.402 54.840 -0.003 0.000 0.802 425 L CB 0.934 42.995 42.059 0.002 0.000 1.180 425 L HN -0.040 nan 8.230 nan 0.000 0.454 426 P HA 0.033 nan 4.420 nan 0.000 0.270 426 P C -2.140 175.158 177.300 -0.004 0.000 1.227 426 P CA -0.824 62.276 63.100 -0.001 0.000 0.788 426 P CB -0.064 31.638 31.700 0.004 0.000 0.926 427 P HA -0.163 nan 4.420 nan 0.000 0.214 427 P C 1.149 178.443 177.300 -0.011 0.000 1.163 427 P CA 1.976 65.073 63.100 -0.006 0.000 0.883 427 P CB -0.119 31.580 31.700 -0.001 0.000 0.788 428 K N -0.737 119.659 120.400 -0.007 0.000 2.147 428 K HA -0.191 4.113 4.320 -0.027 0.000 0.205 428 K C 2.125 178.718 176.600 -0.013 0.000 1.049 428 K CA 1.282 57.562 56.287 -0.011 0.000 0.936 428 K CB -0.243 32.256 32.500 -0.001 0.000 0.722 428 K HN 0.064 nan 8.250 nan 0.000 0.446 429 E N 0.988 121.186 120.200 -0.003 0.000 2.076 429 E HA -0.017 4.317 4.350 -0.027 0.000 0.190 429 E C 1.714 178.313 176.600 -0.002 0.000 0.979 429 E CA 1.189 57.592 56.400 0.006 0.000 0.807 429 E CB -0.132 29.575 29.700 0.013 0.000 0.761 429 E HN 0.224 nan 8.360 nan 0.000 0.454 430 A N -0.238 122.577 122.820 -0.008 0.000 2.070 430 A HA -0.128 4.176 4.320 -0.027 0.000 0.220 430 A C 2.254 179.823 177.584 -0.024 0.000 1.159 430 A CA 1.932 53.962 52.037 -0.012 0.000 0.656 430 A CB -0.790 18.201 19.000 -0.015 0.000 0.800 430 A HN 0.353 nan 8.150 nan 0.000 0.453 431 T N -0.363 114.166 114.554 -0.041 0.000 2.706 431 T HA -0.079 4.255 4.350 -0.027 0.000 0.255 431 T C 2.054 176.685 174.700 -0.114 0.000 1.048 431 T CA 1.060 63.115 62.100 -0.074 0.000 1.153 431 T CB -0.250 68.567 68.868 -0.085 0.000 0.865 431 T HN 0.454 nan 8.240 nan 0.000 0.414 432 R N 1.169 121.593 120.500 -0.126 0.000 2.117 432 R HA -0.135 4.189 4.340 -0.027 0.000 0.243 432 R C 2.455 178.724 176.300 -0.053 0.000 1.143 432 R CA 1.470 57.459 56.100 -0.184 0.000 0.968 432 R CB -0.340 29.943 30.300 -0.028 0.000 0.863 432 R HN 0.290 nan 8.270 nan 0.000 0.444 433 K N 1.215 121.620 120.400 0.008 0.000 1.973 433 K HA -0.128 4.176 4.320 -0.027 0.000 0.212 433 K C 2.194 178.817 176.600 0.038 0.000 1.047 433 K CA 2.271 58.586 56.287 0.047 0.000 0.937 433 K CB -0.319 32.204 32.500 0.038 0.000 0.721 433 K HN 0.160 nan 8.250 nan 0.000 0.440 434 S N -0.060 115.649 115.700 0.014 0.000 2.399 434 S HA -0.186 4.268 4.470 -0.027 0.000 0.231 434 S C 2.027 176.641 174.600 0.023 0.000 1.022 434 S CA 1.401 59.621 58.200 0.032 0.000 0.983 434 S CB -0.416 62.795 63.200 0.018 0.000 0.803 434 S HN 0.310 nan 8.310 nan 0.000 0.480 435 M N 2.549 122.123 119.600 -0.043 0.000 2.279 435 M HA 0.171 4.635 4.480 -0.027 0.000 0.264 435 M C 1.658 177.957 176.300 -0.002 0.000 1.062 435 M CA 1.025 56.277 55.300 -0.080 0.000 1.099 435 M CB -0.749 31.697 32.600 -0.256 0.000 1.394 435 M HN 0.436 nan 8.290 nan 0.000 0.426 436 G N -1.264 107.575 108.800 0.065 0.000 3.440 436 G HA2 0.119 4.063 3.960 -0.027 0.000 0.263 436 G HA3 0.119 4.063 3.960 -0.027 0.000 0.263 436 G C 0.834 175.781 174.900 0.077 0.000 1.236 436 G CA -0.093 45.094 45.100 0.145 0.000 0.927 436 G HN 0.554 nan 8.290 nan 0.000 0.530 437 Q N -0.983 118.848 119.800 0.052 0.000 2.104 437 Q HA 0.209 4.533 4.340 -0.027 0.000 0.240 437 Q C 1.867 177.834 176.000 -0.055 0.000 0.743 437 Q CA 0.016 55.831 55.803 0.019 0.000 0.920 437 Q CB 0.488 29.304 28.738 0.129 0.000 1.198 437 Q HN 0.640 nan 8.270 nan 0.000 0.465 438 I N -2.763 117.833 120.570 0.044 0.000 4.139 438 I HA 0.158 4.312 4.170 -0.027 0.000 0.335 438 I C 1.973 178.107 176.117 0.027 0.000 1.327 438 I CA -0.074 61.278 61.300 0.087 0.000 1.112 438 I CB 0.185 38.295 38.000 0.183 0.000 1.058 438 I HN -0.019 nan 8.210 nan 0.000 0.396 439 Q N 2.422 122.229 119.800 0.011 0.000 2.133 439 Q HA -0.195 4.129 4.340 -0.027 0.000 0.208 439 Q C 2.080 178.085 176.000 0.008 0.000 0.991 439 Q CA 2.688 58.502 55.803 0.017 0.000 0.867 439 Q CB -0.261 28.501 28.738 0.039 0.000 0.911 439 Q HN 0.716 nan 8.270 nan 0.000 0.417 440 G N -0.328 108.467 108.800 -0.008 0.000 2.421 440 G HA2 -0.076 3.868 3.960 -0.027 0.000 0.217 440 G HA3 -0.076 3.868 3.960 -0.027 0.000 0.217 440 G C 1.454 176.397 174.900 0.071 0.000 1.143 440 G CA 0.812 45.923 45.100 0.019 0.000 0.784 440 G HN 0.467 nan 8.290 nan 0.000 0.541 441 A N 0.599 123.449 122.820 0.051 0.000 1.930 441 A HA 0.178 4.482 4.320 -0.027 0.000 0.217 441 A C 2.381 180.024 177.584 0.099 0.000 1.175 441 A CA 0.914 53.022 52.037 0.119 0.000 0.627 441 A CB -0.298 18.818 19.000 0.194 0.000 0.815 441 A HN 0.343 nan 8.150 nan 0.000 0.443 442 L N -0.589 120.673 121.223 0.064 0.000 2.017 442 L HA -0.153 4.171 4.340 -0.027 0.000 0.208 442 L C 2.498 179.383 176.870 0.025 0.000 1.073 442 L CA 1.136 56.000 54.840 0.041 0.000 0.745 442 L CB -0.691 41.383 42.059 0.024 0.000 0.894 442 L HN 0.232 nan 8.230 nan 0.000 0.432 443 V N 0.272 120.193 119.914 0.011 0.000 2.358 443 V HA -0.174 3.930 4.120 -0.027 0.000 0.246 443 V C 2.664 178.748 176.094 -0.017 0.000 1.047 443 V CA 1.929 64.219 62.300 -0.017 0.000 1.035 443 V CB -1.300 30.494 31.823 -0.048 0.000 0.658 443 V HN 0.559 nan 8.190 nan 0.000 0.452 444 G N 0.035 108.845 108.800 0.016 0.000 2.446 444 G HA2 -0.241 3.703 3.960 -0.027 0.000 0.217 444 G HA3 -0.241 3.703 3.960 -0.027 0.000 0.217 444 G C 1.589 176.532 174.900 0.072 0.000 1.168 444 G CA 1.190 46.333 45.100 0.072 0.000 0.771 444 G HN 0.484 nan 8.290 nan 0.000 0.551 445 I N 1.273 121.883 120.570 0.067 0.000 2.163 445 I HA -0.141 4.013 4.170 -0.027 0.000 0.240 445 I C 3.306 179.441 176.117 0.029 0.000 1.081 445 I CA 1.046 62.374 61.300 0.047 0.000 1.353 445 I CB -0.237 37.789 38.000 0.044 0.000 1.054 445 I HN 0.243 nan 8.210 nan 0.000 0.407 446 A N 1.270 124.103 122.820 0.022 0.000 1.877 446 A HA -0.256 4.048 4.320 -0.027 0.000 0.216 446 A C 2.393 179.987 177.584 0.016 0.000 1.186 446 A CA 2.178 54.225 52.037 0.016 0.000 0.620 446 A CB -0.748 18.256 19.000 0.007 0.000 0.822 446 A HN 0.575 nan 8.150 nan 0.000 0.443 447 M N -1.541 118.060 119.600 0.002 0.000 2.200 447 M HA 0.038 4.502 4.480 -0.027 0.000 0.265 447 M C 1.810 178.110 176.300 0.000 0.000 1.066 447 M CA 1.985 57.282 55.300 -0.006 0.000 1.127 447 M CB -0.468 32.111 32.600 -0.035 0.000 1.379 447 M HN 0.006 nan 8.290 nan 0.000 0.420 448 V N 1.026 120.942 119.914 0.003 0.000 2.515 448 V HA -0.101 4.003 4.120 -0.027 0.000 0.250 448 V C 2.137 178.229 176.094 -0.004 0.000 1.058 448 V CA 1.562 63.859 62.300 -0.005 0.000 1.064 448 V CB -0.233 31.595 31.823 0.007 0.000 0.675 448 V HN 0.614 nan 8.190 nan 0.000 0.461 449 L N -0.032 121.211 121.223 0.034 0.000 2.591 449 L HA 0.059 4.383 4.340 -0.027 0.000 0.228 449 L C 1.953 178.961 176.870 0.230 0.000 1.133 449 L CA 0.961 55.861 54.840 0.101 0.000 0.880 449 L CB 0.014 42.125 42.059 0.088 0.000 1.033 449 L HN 0.523 nan 8.230 nan 0.000 0.450 450 S N -2.302 113.485 115.700 0.146 0.000 2.575 450 S HA 0.190 4.644 4.470 -0.027 0.000 0.230 450 S C 1.969 176.639 174.600 0.115 0.000 1.062 450 S CA 0.277 58.586 58.200 0.182 0.000 0.913 450 S CB 0.247 63.494 63.200 0.079 0.000 0.837 450 S HN 0.174 nan 8.310 nan 0.000 0.487 451 A N 2.905 125.745 122.820 0.034 0.000 1.908 451 A HA 0.000 4.304 4.320 -0.027 0.000 0.218 451 A C 2.394 179.940 177.584 -0.064 0.000 1.181 451 A CA 1.996 54.028 52.037 -0.009 0.000 0.627 451 A CB -1.391 17.594 19.000 -0.025 0.000 0.818 451 A HN 0.887 nan 8.150 nan 0.000 0.445 452 V N -3.514 116.305 119.914 -0.159 0.000 2.392 452 V HA -0.248 3.856 4.120 -0.027 0.000 0.249 452 V C 2.149 177.989 176.094 -0.423 0.000 1.059 452 V CA 2.033 64.115 62.300 -0.363 0.000 1.051 452 V CB -1.402 30.042 31.823 -0.631 0.000 0.658 452 V HN 0.437 nan 8.190 nan 0.000 0.455 453 F N -0.371 119.531 119.950 -0.080 0.000 2.789 453 F HA 0.199 4.709 4.527 -0.027 0.000 0.300 453 F C 2.168 177.897 175.800 -0.119 0.000 1.132 453 F CA 0.518 58.461 58.000 -0.094 0.000 1.404 453 F CB -0.170 38.796 39.000 -0.056 0.000 1.114 453 F HN -0.049 nan 8.300 nan 0.000 0.584 454 V N 1.067 120.984 119.914 0.005 0.000 2.283 454 V HA -0.160 3.944 4.120 -0.027 0.000 0.243 454 V C -0.321 175.646 176.094 -0.211 0.000 1.039 454 V CA 1.717 63.960 62.300 -0.095 0.000 1.016 454 V CB -1.521 30.282 31.823 -0.032 0.000 0.650 454 V HN 0.155 nan 8.190 nan 0.000 0.449 455 P HA -0.167 nan 4.420 nan 0.000 0.218 455 P C 1.940 179.329 177.300 0.149 0.000 1.149 455 P CA 1.453 64.588 63.100 0.059 0.000 0.817 455 P CB -0.250 31.529 31.700 0.132 0.000 0.785 456 M N -1.790 117.800 119.600 -0.017 0.000 2.460 456 M HA 0.019 4.483 4.480 -0.027 0.000 0.263 456 M C 1.779 178.201 176.300 0.203 0.000 1.071 456 M CA 2.002 57.271 55.300 -0.053 0.000 1.096 456 M CB -0.857 31.475 32.600 -0.446 0.000 1.408 456 M HN -0.171 nan 8.290 nan 0.000 0.463 457 A N 0.952 123.762 122.820 -0.016 0.000 1.930 457 A HA -0.017 4.287 4.320 -0.027 0.000 0.217 457 A C 1.584 179.203 177.584 0.058 0.000 1.175 457 A CA 1.033 53.039 52.037 -0.052 0.000 0.627 457 A CB -1.138 17.669 19.000 -0.322 0.000 0.815 457 A HN 0.677 nan 8.150 nan 0.000 0.443 458 F N -1.710 118.398 119.950 0.263 0.000 2.804 458 F HA 0.243 4.753 4.527 -0.028 0.000 0.303 458 F C 0.255 176.126 175.800 0.119 0.000 1.154 458 F CA -0.709 57.383 58.000 0.154 0.000 1.401 458 F CB -0.161 38.874 39.000 0.058 0.000 1.106 458 F HN 0.013 nan 8.300 nan 0.000 0.568 459 F N 0.803 120.912 119.950 0.265 0.000 2.410 459 F HA 0.435 4.946 4.527 -0.027 0.000 0.334 459 F C 1.227 177.145 175.800 0.198 0.000 1.134 459 F CA -0.603 57.539 58.000 0.238 0.000 1.227 459 F CB 0.407 39.583 39.000 0.294 0.000 1.194 459 F HN -0.129 nan 8.300 nan 0.000 0.571 460 G N 0.585 109.554 108.800 0.281 0.000 2.580 460 G HA2 0.498 4.441 3.960 -0.027 0.000 0.278 460 G HA3 0.498 4.441 3.960 -0.027 0.000 0.278 460 G C 0.047 175.063 174.900 0.193 0.000 1.212 460 G CA -0.005 45.210 45.100 0.192 0.000 0.939 460 G HN 1.150 nan 8.290 nan 0.000 0.513 461 G N -1.066 107.826 108.800 0.154 0.000 2.796 461 G HA2 -0.045 3.899 3.960 -0.027 0.000 0.226 461 G HA3 -0.045 3.899 3.960 -0.027 0.000 0.226 461 G C 1.205 176.177 174.900 0.119 0.000 1.381 461 G CA 0.655 45.842 45.100 0.146 0.000 0.867 461 G HN 1.627 nan 8.290 nan 0.000 0.552 462 S N -1.289 114.484 115.700 0.122 0.000 2.447 462 S HA -0.045 4.409 4.470 -0.027 0.000 0.233 462 S C 2.422 177.058 174.600 0.060 0.000 1.006 462 S CA 2.351 60.617 58.200 0.109 0.000 0.957 462 S CB -0.425 62.862 63.200 0.144 0.000 0.773 462 S HN 1.011 nan 8.310 nan 0.000 0.507 463 T N 0.723 115.293 114.554 0.027 0.000 2.812 463 T HA 0.051 4.385 4.350 -0.027 0.000 0.264 463 T C 1.993 176.360 174.700 -0.555 0.000 1.042 463 T CA 1.133 63.076 62.100 -0.261 0.000 1.140 463 T CB -1.050 67.690 68.868 -0.213 0.000 0.870 463 T HN 0.521 nan 8.240 nan 0.000 0.445 464 G N 1.431 110.117 108.800 -0.189 0.000 2.442 464 G HA2 -0.112 3.832 3.960 -0.027 0.000 0.219 464 G HA3 -0.112 3.832 3.960 -0.027 0.000 0.219 464 G C 1.839 176.806 174.900 0.111 0.000 1.141 464 G CA 0.962 46.106 45.100 0.074 0.000 0.763 464 G HN 0.587 nan 8.290 nan 0.000 0.554 465 A N 0.940 123.804 122.820 0.074 0.000 1.908 465 A HA -0.024 4.280 4.320 -0.027 0.000 0.218 465 A C 2.382 180.050 177.584 0.140 0.000 1.181 465 A CA 1.431 53.535 52.037 0.112 0.000 0.627 465 A CB -0.295 18.754 19.000 0.082 0.000 0.818 465 A HN 0.340 nan 8.150 nan 0.000 0.445 466 I N -1.520 119.086 120.570 0.059 0.000 2.113 466 I HA -0.298 3.856 4.170 -0.027 0.000 0.238 466 I C 2.494 178.845 176.117 0.389 0.000 1.070 466 I CA 1.753 63.152 61.300 0.165 0.000 1.332 466 I CB -1.527 36.473 38.000 -0.000 0.000 1.044 466 I HN 0.479 nan 8.210 nan 0.000 0.402 467 Y N 0.862 121.326 120.300 0.275 0.000 2.069 467 Y HA -0.338 4.196 4.550 -0.026 0.000 0.278 467 Y C 3.018 179.105 175.900 0.312 0.000 1.175 467 Y CA 1.235 59.500 58.100 0.276 0.000 1.134 467 Y CB -0.535 38.011 38.460 0.143 0.000 0.965 467 Y HN 0.117 nan 8.280 nan 0.000 0.498 468 R N 0.168 120.921 120.500 0.423 0.000 2.117 468 R HA -0.219 4.105 4.340 -0.027 0.000 0.243 468 R C 2.311 178.787 176.300 0.294 0.000 1.143 468 R CA 1.638 57.939 56.100 0.334 0.000 0.968 468 R CB -0.105 30.411 30.300 0.359 0.000 0.863 468 R HN 0.395 nan 8.270 nan 0.000 0.444 469 Q N -0.484 119.510 119.800 0.325 0.000 2.061 469 Q HA -0.194 4.130 4.340 -0.027 0.000 0.204 469 Q C 2.041 178.007 176.000 -0.057 0.000 0.984 469 Q CA 1.703 57.592 55.803 0.143 0.000 0.846 469 Q CB -0.455 28.343 28.738 0.099 0.000 0.902 469 Q HN 0.360 nan 8.270 nan 0.000 0.421 470 F N 1.135 121.127 119.950 0.070 0.000 2.146 470 F HA -0.137 4.374 4.527 -0.027 0.000 0.298 470 F C 2.669 178.357 175.800 -0.187 0.000 1.096 470 F CA 1.173 59.147 58.000 -0.043 0.000 1.275 470 F CB -0.486 38.547 39.000 0.055 0.000 1.008 470 F HN -0.043 nan 8.300 nan 0.000 0.480 471 S N 0.400 116.175 115.700 0.124 0.000 2.359 471 S HA -0.184 4.270 4.470 -0.027 0.000 0.224 471 S C 2.163 176.678 174.600 -0.142 0.000 1.035 471 S CA 1.066 59.277 58.200 0.018 0.000 1.018 471 S CB -0.461 62.778 63.200 0.066 0.000 0.876 471 S HN 0.234 nan 8.310 nan 0.000 0.448 472 I N 1.787 122.214 120.570 -0.238 0.000 2.252 472 I HA -0.158 3.996 4.170 -0.027 0.000 0.245 472 I C 2.111 177.996 176.117 -0.387 0.000 1.102 472 I CA 1.491 62.528 61.300 -0.438 0.000 1.385 472 I CB -1.308 36.136 38.000 -0.927 0.000 1.064 472 I HN 0.298 nan 8.210 nan 0.000 0.414 473 T N 1.557 115.901 114.554 -0.351 0.000 2.668 473 T HA -0.119 4.215 4.350 -0.027 0.000 0.262 473 T C 2.000 176.538 174.700 -0.271 0.000 1.045 473 T CA 1.640 63.550 62.100 -0.317 0.000 1.152 473 T CB -0.265 68.416 68.868 -0.312 0.000 0.864 473 T HN 0.264 nan 8.240 nan 0.000 0.419 474 I N 0.750 121.139 120.570 -0.302 0.000 2.286 474 I HA -0.103 4.051 4.170 -0.027 0.000 0.245 474 I C 2.523 178.512 176.117 -0.214 0.000 1.104 474 I CA 0.635 61.739 61.300 -0.327 0.000 1.397 474 I CB -0.484 37.100 38.000 -0.695 0.000 1.072 474 I HN 0.061 nan 8.210 nan 0.000 0.417 475 V N 1.112 120.919 119.914 -0.180 0.000 2.255 475 V HA -0.303 3.801 4.120 -0.027 0.000 0.247 475 V C 2.704 178.741 176.094 -0.094 0.000 1.051 475 V CA 2.488 64.739 62.300 -0.083 0.000 1.018 475 V CB -0.798 30.985 31.823 -0.066 0.000 0.641 475 V HN 0.624 nan 8.190 nan 0.000 0.445 476 S N 0.547 116.162 115.700 -0.140 0.000 2.428 476 S HA -0.050 4.404 4.470 -0.027 0.000 0.230 476 S C 2.026 176.570 174.600 -0.094 0.000 1.014 476 S CA 1.150 59.278 58.200 -0.120 0.000 0.957 476 S CB -0.339 62.767 63.200 -0.157 0.000 0.784 476 S HN 0.555 nan 8.310 nan 0.000 0.499 477 A N 2.315 125.067 122.820 -0.113 0.000 1.873 477 A HA 0.088 4.392 4.320 -0.027 0.000 0.215 477 A C 2.321 179.875 177.584 -0.050 0.000 1.186 477 A CA 1.664 53.648 52.037 -0.087 0.000 0.616 477 A CB -0.622 18.313 19.000 -0.108 0.000 0.823 477 A HN 0.490 nan 8.150 nan 0.000 0.442 478 M N -0.320 119.253 119.600 -0.045 0.000 2.175 478 M HA -0.008 4.456 4.480 -0.027 0.000 0.264 478 M C 2.444 178.737 176.300 -0.013 0.000 1.063 478 M CA 1.304 56.595 55.300 -0.015 0.000 1.119 478 M CB -1.603 31.001 32.600 0.007 0.000 1.377 478 M HN 0.476 nan 8.290 nan 0.000 0.415 479 A N 0.024 122.831 122.820 -0.022 0.000 1.933 479 A HA -0.094 4.210 4.320 -0.027 0.000 0.218 479 A C 2.300 179.877 177.584 -0.012 0.000 1.175 479 A CA 1.204 53.231 52.037 -0.016 0.000 0.628 479 A CB -0.825 18.162 19.000 -0.022 0.000 0.814 479 A HN 0.466 nan 8.150 nan 0.000 0.444 480 L N 0.389 121.602 121.223 -0.017 0.000 2.217 480 L HA -0.121 4.203 4.340 -0.027 0.000 0.211 480 L C 2.939 179.804 176.870 -0.008 0.000 1.107 480 L CA 1.198 56.033 54.840 -0.009 0.000 0.783 480 L CB -0.313 41.741 42.059 -0.009 0.000 0.919 480 L HN 0.623 nan 8.230 nan 0.000 0.442 481 S N -0.262 115.432 115.700 -0.010 0.000 2.383 481 S HA -0.138 4.316 4.470 -0.027 0.000 0.227 481 S C 1.905 176.501 174.600 -0.007 0.000 1.026 481 S CA 1.178 59.375 58.200 -0.006 0.000 0.981 481 S CB -0.887 62.313 63.200 -0.000 0.000 0.818 481 S HN 0.255 nan 8.310 nan 0.000 0.472 482 V N 1.415 121.325 119.914 -0.005 0.000 2.358 482 V HA -0.054 4.050 4.120 -0.027 0.000 0.246 482 V C 2.583 178.671 176.094 -0.009 0.000 1.047 482 V CA 1.445 63.741 62.300 -0.006 0.000 1.035 482 V CB -1.375 30.445 31.823 -0.005 0.000 0.658 482 V HN 0.421 nan 8.190 nan 0.000 0.452 483 L N 0.059 121.277 121.223 -0.007 0.000 2.012 483 L HA -0.142 4.182 4.340 -0.027 0.000 0.210 483 L C 2.648 179.509 176.870 -0.015 0.000 1.073 483 L CA 1.468 56.304 54.840 -0.006 0.000 0.748 483 L CB -0.579 41.481 42.059 0.003 0.000 0.891 483 L HN 0.226 nan 8.230 nan 0.000 0.431 484 V N -0.132 119.769 119.914 -0.020 0.000 2.358 484 V HA -0.238 3.866 4.120 -0.027 0.000 0.246 484 V C 2.586 178.650 176.094 -0.050 0.000 1.047 484 V CA 1.732 64.007 62.300 -0.040 0.000 1.035 484 V CB -0.795 31.006 31.823 -0.036 0.000 0.658 484 V HN 0.483 nan 8.190 nan 0.000 0.452 485 A N -0.992 121.808 122.820 -0.035 0.000 2.119 485 A HA 0.071 4.375 4.320 -0.027 0.000 0.217 485 A C 2.033 179.593 177.584 -0.040 0.000 1.153 485 A CA 1.069 53.084 52.037 -0.036 0.000 0.692 485 A CB -0.259 18.729 19.000 -0.020 0.000 0.799 485 A HN 0.530 nan 8.150 nan 0.000 0.458 486 L N -1.636 119.567 121.223 -0.033 0.000 2.664 486 L HA 0.302 4.626 4.340 -0.027 0.000 0.233 486 L C 1.632 178.484 176.870 -0.030 0.000 1.113 486 L CA 0.173 54.995 54.840 -0.029 0.000 0.896 486 L CB 0.236 42.288 42.059 -0.012 0.000 1.163 486 L HN 0.337 nan 8.230 nan 0.000 0.497 487 I N -1.907 118.640 120.570 -0.037 0.000 3.534 487 I HA -0.043 4.111 4.170 -0.027 0.000 0.251 487 I C 1.682 177.752 176.117 -0.078 0.000 1.136 487 I CA 0.190 61.471 61.300 -0.033 0.000 1.475 487 I CB 0.286 38.281 38.000 -0.008 0.000 1.526 487 I HN -0.007 nan 8.210 nan 0.000 0.454 488 L N 0.428 121.582 121.223 -0.116 0.000 2.102 488 L HA 0.003 4.327 4.340 -0.027 0.000 0.202 488 L C 2.360 179.111 176.870 -0.199 0.000 1.076 488 L CA 2.079 56.790 54.840 -0.215 0.000 0.761 488 L CB -0.578 41.320 42.059 -0.268 0.000 0.921 488 L HN 0.151 nan 8.230 nan 0.000 0.444 489 T N 0.669 115.142 114.554 -0.135 0.000 2.746 489 T HA -0.078 4.256 4.350 -0.027 0.000 0.267 489 T C -0.643 173.999 174.700 -0.095 0.000 1.039 489 T CA 1.798 63.836 62.100 -0.104 0.000 1.142 489 T CB -1.140 67.686 68.868 -0.070 0.000 0.866 489 T HN 0.290 nan 8.240 nan 0.000 0.444 490 P HA 0.079 nan 4.420 nan 0.000 0.218 490 P C 1.402 178.644 177.300 -0.098 0.000 1.149 490 P CA 0.976 64.012 63.100 -0.107 0.000 0.817 490 P CB -0.173 31.448 31.700 -0.132 0.000 0.785 491 A N -0.486 122.272 122.820 -0.103 0.000 1.897 491 A HA -0.109 4.195 4.320 -0.027 0.000 0.215 491 A C 2.168 179.712 177.584 -0.067 0.000 1.181 491 A CA 1.228 53.212 52.037 -0.088 0.000 0.620 491 A CB -1.576 17.357 19.000 -0.111 0.000 0.821 491 A HN 0.108 nan 8.150 nan 0.000 0.443 492 L N -0.896 120.270 121.223 -0.094 0.000 2.141 492 L HA -0.192 4.132 4.340 -0.027 0.000 0.209 492 L C 2.345 179.210 176.870 -0.009 0.000 1.094 492 L CA 0.791 55.606 54.840 -0.042 0.000 0.763 492 L CB -0.495 41.521 42.059 -0.072 0.000 0.908 492 L HN 0.451 nan 8.230 nan 0.000 0.437 493 C N -0.500 118.782 119.300 -0.030 0.000 2.472 493 C HA 0.066 4.510 4.460 -0.027 0.000 0.278 493 C C 2.750 177.730 174.990 -0.017 0.000 1.447 493 C CA 0.657 59.662 59.018 -0.022 0.000 1.773 493 C CB -0.933 26.784 27.740 -0.038 0.000 1.793 493 C HN 0.575 nan 8.230 nan 0.000 0.544 494 A N 0.489 123.297 122.820 -0.018 0.000 2.014 494 A HA 0.021 4.325 4.320 -0.027 0.000 0.210 494 A C 2.124 179.713 177.584 0.009 0.000 1.188 494 A CA 1.499 53.529 52.037 -0.012 0.000 0.731 494 A CB -0.493 18.492 19.000 -0.025 0.000 0.858 494 A HN 0.559 nan 8.150 nan 0.000 0.464 495 T N -2.960 111.608 114.554 0.024 0.000 3.014 495 T HA 0.281 4.615 4.350 -0.027 0.000 0.250 495 T C 1.008 175.743 174.700 0.059 0.000 1.060 495 T CA 0.743 62.871 62.100 0.047 0.000 1.040 495 T CB -0.158 68.754 68.868 0.073 0.000 0.971 495 T HN 0.532 nan 8.240 nan 0.000 0.497 496 M N -0.510 119.126 119.600 0.059 0.000 3.039 496 M HA 0.598 5.062 4.480 -0.027 0.000 0.442 496 M C -0.955 175.378 176.300 0.055 0.000 1.408 496 M CA -0.649 54.692 55.300 0.068 0.000 0.804 496 M CB 0.595 33.257 32.600 0.103 0.000 1.471 496 M HN -0.024 nan 8.290 nan 0.000 0.516 497 L N 1.936 123.180 121.223 0.036 0.000 2.329 497 L HA 0.591 4.915 4.340 -0.027 0.000 0.279 497 L C -0.217 176.663 176.870 0.017 0.000 1.014 497 L CA -0.231 54.624 54.840 0.025 0.000 0.814 497 L CB 1.826 43.892 42.059 0.011 0.000 1.257 497 L HN 0.266 nan 8.230 nan 0.000 0.424 498 K N 5.672 126.081 120.400 0.014 0.000 2.350 498 K HA 0.290 4.594 4.320 -0.027 0.000 0.279 498 K C -2.257 174.342 176.600 -0.001 0.000 1.027 498 K CA -1.398 54.894 56.287 0.008 0.000 0.969 498 K CB 0.635 33.139 32.500 0.006 0.000 0.954 498 K HN 0.400 nan 8.250 nan 0.000 0.474 499 P HA 0.139 nan 4.420 nan 0.000 0.271 499 P C -0.692 176.601 177.300 -0.011 0.000 1.218 499 P CA 0.109 63.205 63.100 -0.006 0.000 0.780 499 P CB 0.733 32.432 31.700 -0.003 0.000 0.901 500 I N 1.237 121.796 120.570 -0.018 0.000 2.498 500 I HA 0.407 4.561 4.170 -0.027 0.000 0.290 500 I C 0.412 176.512 176.117 -0.028 0.000 1.032 500 I CA -1.098 60.187 61.300 -0.025 0.000 1.073 500 I CB 2.071 40.050 38.000 -0.036 0.000 1.251 500 I HN 0.349 nan 8.210 nan 0.000 0.426 501 A N 5.987 128.794 122.820 -0.022 0.000 2.386 501 A HA 0.223 4.527 4.320 -0.027 0.000 0.248 501 A C 0.170 177.734 177.584 -0.034 0.000 1.082 501 A CA -0.264 51.761 52.037 -0.020 0.000 0.789 501 A CB 0.324 19.319 19.000 -0.008 0.000 1.025 501 A HN 0.760 nan 8.150 nan 0.000 0.490 502 K N 0.525 120.909 120.400 -0.026 0.000 2.447 502 K HA 0.301 4.605 4.320 -0.027 0.000 0.281 502 K C 1.098 177.681 176.600 -0.028 0.000 1.031 502 K CA 1.102 57.369 56.287 -0.033 0.000 1.019 502 K CB -0.256 32.237 32.500 -0.013 0.000 0.918 502 K HN 1.616 nan 8.250 nan 0.000 0.476 503 G N 3.598 112.360 108.800 -0.063 0.000 2.175 503 G HA2 -0.283 3.661 3.960 -0.027 0.000 0.244 503 G HA3 -0.283 3.661 3.960 -0.027 0.000 0.244 503 G C 0.720 175.632 174.900 0.020 0.000 0.982 503 G CA 0.352 45.452 45.100 -0.000 0.000 0.641 503 G HN 0.864 nan 8.290 nan 0.000 0.527 504 D N 0.416 120.784 120.400 -0.054 0.000 2.103 504 D HA -0.192 4.431 4.640 -0.027 0.000 0.190 504 D C 1.527 177.870 176.300 0.072 0.000 0.997 504 D CA 1.735 55.733 54.000 -0.003 0.000 0.833 504 D CB -0.262 40.521 40.800 -0.028 0.000 0.961 504 D HN 0.602 nan 8.370 nan 0.000 0.447 505 H N -1.636 117.448 119.070 0.023 0.000 3.580 505 H HA -0.226 4.314 4.556 -0.027 0.000 0.224 505 H C 1.375 176.728 175.328 0.041 0.000 1.047 505 H CA 1.567 57.635 56.048 0.033 0.000 1.204 505 H CB -1.491 28.288 29.762 0.029 0.000 1.193 505 H HN 0.522 nan 8.280 nan 0.000 0.319 506 G N 0.024 108.893 108.800 0.115 0.000 2.184 506 G HA2 -0.388 3.556 3.960 -0.027 0.000 0.264 506 G HA3 -0.388 3.556 3.960 -0.027 0.000 0.264 506 G C 1.019 175.981 174.900 0.104 0.000 0.975 506 G CA 0.923 46.077 45.100 0.090 0.000 0.642 506 G HN 0.587 nan 8.290 nan 0.000 0.536 507 E N 0.140 120.407 120.200 0.111 0.000 2.274 507 E HA 0.122 4.456 4.350 -0.027 0.000 0.194 507 E C 2.121 178.771 176.600 0.082 0.000 0.996 507 E CA 0.380 56.833 56.400 0.088 0.000 0.840 507 E CB -0.156 29.578 29.700 0.056 0.000 0.772 507 E HN 0.500 nan 8.360 nan 0.000 0.491 508 G N 1.885 110.733 108.800 0.079 0.000 3.353 508 G HA2 0.028 3.972 3.960 -0.027 0.000 0.247 508 G HA3 0.028 3.972 3.960 -0.027 0.000 0.247 508 G C -0.084 174.869 174.900 0.088 0.000 1.025 508 G CA -0.051 45.092 45.100 0.072 0.000 1.863 508 G HN -0.134 nan 8.290 nan 0.000 0.635 509 K N 0.618 121.088 120.400 0.116 0.000 2.501 509 K HA 0.447 4.751 4.320 -0.027 0.000 0.252 509 K C -0.427 176.284 176.600 0.185 0.000 0.934 509 K CA -0.952 55.428 56.287 0.155 0.000 0.797 509 K CB 1.789 34.400 32.500 0.185 0.000 1.270 509 K HN 0.116 nan 8.250 nan 0.000 0.431 510 K N 2.172 122.681 120.400 0.182 0.000 2.295 510 K HA 0.856 5.160 4.320 -0.027 0.000 0.239 510 K C 0.205 176.893 176.600 0.146 0.000 0.991 510 K CA -0.076 56.320 56.287 0.181 0.000 0.845 510 K CB 1.620 34.203 32.500 0.138 0.000 1.197 510 K HN 0.724 nan 8.250 nan 0.000 0.441 511 G N 0.833 109.649 108.800 0.026 0.000 2.130 511 G HA2 -0.195 3.749 3.960 -0.027 0.000 0.222 511 G HA3 -0.195 3.749 3.960 -0.027 0.000 0.222 511 G C 0.059 174.661 174.900 -0.497 0.000 1.694 511 G CA 0.104 45.127 45.100 -0.129 0.000 1.432 511 G HN 0.506 nan 8.290 nan 0.000 0.476 512 F N -0.309 119.326 119.950 -0.525 0.000 2.671 512 F HA 0.414 4.925 4.527 -0.027 0.000 0.303 512 F C 2.118 177.808 175.800 -0.184 0.000 0.935 512 F CA 0.472 58.137 58.000 -0.559 0.000 1.136 512 F CB 0.083 38.655 39.000 -0.714 0.000 0.929 512 F HN 0.212 nan 8.300 nan 0.000 0.659 513 F N -0.257 119.901 119.950 0.347 0.000 2.187 513 F HA 0.177 4.688 4.527 -0.027 0.000 0.295 513 F C 2.493 178.494 175.800 0.336 0.000 1.091 513 F CA 1.068 59.240 58.000 0.286 0.000 1.308 513 F CB -1.372 37.702 39.000 0.123 0.000 1.030 513 F HN -0.057 nan 8.300 nan 0.000 0.487 514 G N -0.836 108.237 108.800 0.456 0.000 2.534 514 G HA2 -0.206 3.738 3.960 -0.027 0.000 0.217 514 G HA3 -0.206 3.738 3.960 -0.027 0.000 0.217 514 G C 1.121 176.238 174.900 0.362 0.000 1.128 514 G CA 0.127 45.438 45.100 0.352 0.000 0.784 514 G HN 0.286 nan 8.290 nan 0.000 0.542 515 W N 0.589 121.935 121.300 0.076 0.000 2.392 515 W HA 0.120 4.764 4.660 -0.027 0.000 0.279 515 W C 2.017 178.481 176.519 -0.092 0.000 1.225 515 W CA 0.275 57.573 57.345 -0.077 0.000 1.233 515 W CB -0.578 28.735 29.460 -0.246 0.000 1.122 515 W HN 0.213 nan 8.180 nan 0.000 0.561 516 F N 0.368 120.416 119.950 0.163 0.000 2.163 516 F HA -0.194 4.317 4.527 -0.027 0.000 0.297 516 F C 1.995 177.816 175.800 0.035 0.000 1.094 516 F CA 1.722 59.751 58.000 0.048 0.000 1.290 516 F CB -1.162 37.830 39.000 -0.014 0.000 1.017 516 F HN -0.189 nan 8.300 nan 0.000 0.483 517 N N 0.045 118.896 118.700 0.252 0.000 2.084 517 N HA -0.118 4.606 4.740 -0.027 0.000 0.190 517 N C 1.720 177.305 175.510 0.124 0.000 1.030 517 N CA 1.193 54.350 53.050 0.179 0.000 0.849 517 N CB -0.290 38.290 38.487 0.154 0.000 1.012 517 N HN 0.107 nan 8.380 nan 0.000 0.423 518 R N -0.094 120.440 120.500 0.056 0.000 2.092 518 R HA 0.077 4.401 4.340 -0.027 0.000 0.231 518 R C 2.152 178.405 176.300 -0.079 0.000 1.119 518 R CA 0.781 56.860 56.100 -0.034 0.000 0.970 518 R CB -0.195 30.055 30.300 -0.083 0.000 0.864 518 R HN 0.252 nan 8.270 nan 0.000 0.440 519 M N -0.238 119.312 119.600 -0.083 0.000 2.086 519 M HA -0.166 4.298 4.480 -0.027 0.000 0.261 519 M C 1.727 178.005 176.300 -0.035 0.000 1.067 519 M CA 1.802 57.032 55.300 -0.117 0.000 1.116 519 M CB -0.303 32.198 32.600 -0.165 0.000 1.348 519 M HN 0.141 nan 8.290 nan 0.000 0.407 520 F N 1.205 121.099 119.950 -0.093 0.000 2.163 520 F HA -0.138 4.373 4.527 -0.027 0.000 0.297 520 F C 2.188 177.950 175.800 -0.063 0.000 1.094 520 F CA 1.850 59.804 58.000 -0.076 0.000 1.290 520 F CB -0.338 38.643 39.000 -0.031 0.000 1.017 520 F HN 0.218 nan 8.300 nan 0.000 0.483 521 E N 0.585 120.777 120.200 -0.013 0.000 2.150 521 E HA -0.158 4.176 4.350 -0.027 0.000 0.193 521 E C 2.061 178.550 176.600 -0.186 0.000 0.985 521 E CA 1.378 57.715 56.400 -0.105 0.000 0.814 521 E CB -0.161 29.499 29.700 -0.068 0.000 0.752 521 E HN 0.337 nan 8.360 nan 0.000 0.466 522 K N -0.389 119.908 120.400 -0.172 0.000 2.062 522 K HA -0.052 4.252 4.320 -0.027 0.000 0.205 522 K C 2.230 178.776 176.600 -0.090 0.000 1.051 522 K CA 1.355 57.555 56.287 -0.145 0.000 0.941 522 K CB -0.055 32.354 32.500 -0.152 0.000 0.719 522 K HN 0.186 nan 8.250 nan 0.000 0.440 523 S N 0.097 115.688 115.700 -0.181 0.000 2.406 523 S HA -0.110 4.344 4.470 -0.027 0.000 0.228 523 S C 2.086 176.517 174.600 -0.282 0.000 1.020 523 S CA 1.467 59.557 58.200 -0.183 0.000 0.965 523 S CB -0.410 62.617 63.200 -0.287 0.000 0.798 523 S HN 0.166 nan 8.310 nan 0.000 0.488 524 T N 0.631 114.895 114.554 -0.483 0.000 2.915 524 T HA -0.058 4.276 4.350 -0.027 0.000 0.269 524 T C 1.541 176.173 174.700 -0.114 0.000 1.071 524 T CA 1.275 63.102 62.100 -0.455 0.000 1.132 524 T CB -0.407 68.059 68.868 -0.669 0.000 0.878 524 T HN 0.585 nan 8.240 nan 0.000 0.479 525 H N -1.038 117.940 119.070 -0.154 0.000 2.448 525 H HA 0.151 4.691 4.556 -0.027 0.000 0.292 525 H C 1.973 177.303 175.328 0.004 0.000 1.035 525 H CA 1.312 57.316 56.048 -0.072 0.000 1.349 525 H CB -0.092 29.628 29.762 -0.069 0.000 1.425 525 H HN 0.433 nan 8.280 nan 0.000 0.539 526 H N -1.179 117.934 119.070 0.072 0.000 2.403 526 H HA -0.078 4.462 4.556 -0.027 0.000 0.298 526 H C 1.323 176.751 175.328 0.166 0.000 1.059 526 H CA 1.243 57.350 56.048 0.098 0.000 1.363 526 H CB 0.045 29.869 29.762 0.102 0.000 1.410 526 H HN 0.245 nan 8.280 nan 0.000 0.528 527 Y N -0.421 119.882 120.300 0.005 0.000 2.163 527 Y HA -0.188 4.346 4.550 -0.027 0.000 0.288 527 Y C 2.931 178.738 175.900 -0.154 0.000 1.136 527 Y CA 1.744 59.808 58.100 -0.061 0.000 1.147 527 Y CB -0.971 37.413 38.460 -0.127 0.000 0.987 527 Y HN 0.212 nan 8.280 nan 0.000 0.509 528 T N -0.726 113.819 114.554 -0.015 0.000 2.915 528 T HA -0.139 4.195 4.350 -0.027 0.000 0.269 528 T C 1.480 176.095 174.700 -0.142 0.000 1.071 528 T CA 1.568 63.592 62.100 -0.127 0.000 1.132 528 T CB -0.279 68.477 68.868 -0.187 0.000 0.878 528 T HN 0.242 nan 8.240 nan 0.000 0.479 529 D N 0.647 120.966 120.400 -0.135 0.000 2.183 529 D HA -0.022 4.602 4.640 -0.027 0.000 0.203 529 D C 2.458 178.663 176.300 -0.157 0.000 0.969 529 D CA 1.400 55.307 54.000 -0.155 0.000 0.842 529 D CB -0.237 40.453 40.800 -0.185 0.000 0.957 529 D HN 0.596 nan 8.370 nan 0.000 0.484 530 S N -0.263 115.347 115.700 -0.150 0.000 2.461 530 S HA -0.033 4.421 4.470 -0.027 0.000 0.228 530 S C 2.117 176.649 174.600 -0.112 0.000 1.005 530 S CA 0.244 58.374 58.200 -0.117 0.000 0.942 530 S CB -0.233 62.931 63.200 -0.060 0.000 0.776 530 S HN 0.029 nan 8.310 nan 0.000 0.514 531 V N 2.251 122.080 119.914 -0.141 0.000 2.427 531 V HA 0.010 4.114 4.120 -0.027 0.000 0.248 531 V C 2.826 178.816 176.094 -0.174 0.000 1.051 531 V CA 1.704 63.895 62.300 -0.181 0.000 1.048 531 V CB -1.533 30.162 31.823 -0.213 0.000 0.666 531 V HN 0.642 nan 8.190 nan 0.000 0.456 532 G N 0.061 108.771 108.800 -0.149 0.000 2.471 532 G HA2 -0.091 3.853 3.960 -0.027 0.000 0.219 532 G HA3 -0.091 3.853 3.960 -0.027 0.000 0.219 532 G C 1.527 176.350 174.900 -0.129 0.000 1.125 532 G CA 0.874 45.897 45.100 -0.129 0.000 0.775 532 G HN 0.580 nan 8.290 nan 0.000 0.548 533 G N 1.443 110.158 108.800 -0.142 0.000 2.408 533 G HA2 -0.006 3.938 3.960 -0.027 0.000 0.215 533 G HA3 -0.006 3.938 3.960 -0.027 0.000 0.215 533 G C 1.733 176.517 174.900 -0.192 0.000 1.156 533 G CA 0.977 45.995 45.100 -0.136 0.000 0.793 533 G HN 0.567 nan 8.290 nan 0.000 0.535 534 I N -1.127 119.263 120.570 -0.301 0.000 2.546 534 I HA 0.141 4.295 4.170 -0.027 0.000 0.255 534 I C 2.061 177.964 176.117 -0.357 0.000 1.163 534 I CA 0.966 61.944 61.300 -0.537 0.000 1.457 534 I CB -0.250 37.275 38.000 -0.792 0.000 1.092 534 I HN -0.001 nan 8.210 nan 0.000 0.434 535 L N 0.166 121.251 121.223 -0.230 0.000 2.591 535 L HA 0.187 4.511 4.340 -0.027 0.000 0.228 535 L C 2.477 179.289 176.870 -0.097 0.000 1.133 535 L CA 0.246 54.996 54.840 -0.150 0.000 0.880 535 L CB -0.460 41.525 42.059 -0.123 0.000 1.033 535 L HN 0.185 nan 8.230 nan 0.000 0.450 536 R N 0.219 120.663 120.500 -0.095 0.000 2.081 536 R HA -0.068 4.255 4.340 -0.027 0.000 0.235 536 R C 0.735 177.015 176.300 -0.034 0.000 1.131 536 R CA 1.366 57.433 56.100 -0.055 0.000 0.960 536 R CB -0.039 30.233 30.300 -0.047 0.000 0.856 536 R HN 0.406 nan 8.270 nan 0.000 0.436 537 S N -2.387 113.294 115.700 -0.030 0.000 2.537 537 S HA 0.191 4.645 4.470 -0.027 0.000 0.270 537 S C 0.458 175.065 174.600 0.012 0.000 1.142 537 S CA -0.897 57.302 58.200 -0.001 0.000 0.870 537 S CB 1.992 65.204 63.200 0.020 0.000 1.112 537 S HN 0.013 nan 8.310 nan 0.000 0.466 538 T N 2.371 116.941 114.554 0.026 0.000 2.652 538 T HA 0.179 4.513 4.350 -0.027 0.000 0.267 538 T C 1.686 176.466 174.700 0.133 0.000 1.039 538 T CA 1.835 63.970 62.100 0.058 0.000 1.153 538 T CB -1.478 67.425 68.868 0.059 0.000 0.863 538 T HN 1.758 nan 8.240 nan 0.000 0.428 539 G N 1.256 110.118 108.800 0.104 0.000 2.652 539 G HA2 -0.432 3.512 3.960 -0.027 0.000 0.318 539 G HA3 -0.432 3.512 3.960 -0.027 0.000 0.318 539 G C 0.794 175.751 174.900 0.095 0.000 1.295 539 G CA 0.996 46.158 45.100 0.103 0.000 0.999 539 G HN 0.455 nan 8.290 nan 0.000 0.548 540 R N -0.434 120.089 120.500 0.037 0.000 2.280 540 R HA 0.202 4.526 4.340 -0.027 0.000 0.207 540 R C 2.424 178.671 176.300 -0.089 0.000 1.043 540 R CA 1.537 57.598 56.100 -0.066 0.000 1.006 540 R CB -0.438 29.754 30.300 -0.179 0.000 0.885 540 R HN 0.627 nan 8.270 nan 0.000 0.467 541 Y N -1.171 119.143 120.300 0.024 0.000 2.314 541 Y HA -0.129 4.405 4.550 -0.027 0.000 0.293 541 Y C 1.697 177.720 175.900 0.206 0.000 1.129 541 Y CA 0.779 58.889 58.100 0.017 0.000 1.201 541 Y CB -0.061 38.282 38.460 -0.195 0.000 0.999 541 Y HN 0.059 nan 8.280 nan 0.000 0.541 542 L N -0.980 120.421 121.223 0.297 0.000 2.156 542 L HA -0.108 4.216 4.340 -0.027 0.000 0.208 542 L C 2.069 179.122 176.870 0.305 0.000 1.095 542 L CA 1.146 56.171 54.840 0.308 0.000 0.770 542 L CB -0.480 41.697 42.059 0.196 0.000 0.914 542 L HN 0.012 nan 8.230 nan 0.000 0.439 543 V N -0.910 119.123 119.914 0.199 0.000 2.379 543 V HA -0.232 3.872 4.120 -0.027 0.000 0.245 543 V C 2.359 178.543 176.094 0.150 0.000 1.044 543 V CA 1.472 63.855 62.300 0.138 0.000 1.036 543 V CB -0.588 31.272 31.823 0.063 0.000 0.664 543 V HN 0.420 nan 8.190 nan 0.000 0.453 544 L N -0.334 120.991 121.223 0.170 0.000 2.083 544 L HA -0.194 4.130 4.340 -0.027 0.000 0.209 544 L C 2.315 179.330 176.870 0.241 0.000 1.083 544 L CA 2.062 57.008 54.840 0.177 0.000 0.752 544 L CB -0.917 41.245 42.059 0.171 0.000 0.899 544 L HN 0.486 nan 8.230 nan 0.000 0.433 545 Y N -0.431 120.045 120.300 0.293 0.000 2.128 545 Y HA -0.281 4.253 4.550 -0.027 0.000 0.284 545 Y C 2.199 178.132 175.900 0.054 0.000 1.154 545 Y CA 2.094 60.279 58.100 0.141 0.000 1.149 545 Y CB -0.250 38.428 38.460 0.363 0.000 0.976 545 Y HN 0.202 nan 8.280 nan 0.000 0.505 546 L N -0.288 120.992 121.223 0.096 0.000 2.201 546 L HA -0.201 4.123 4.340 -0.027 0.000 0.212 546 L C 2.253 179.073 176.870 -0.082 0.000 1.105 546 L CA 1.067 55.887 54.840 -0.033 0.000 0.775 546 L CB -0.364 41.743 42.059 0.081 0.000 0.913 546 L HN 0.330 nan 8.230 nan 0.000 0.440 547 I N -0.492 120.054 120.570 -0.040 0.000 2.353 547 I HA -0.272 3.882 4.170 -0.027 0.000 0.248 547 I C 2.252 178.318 176.117 -0.085 0.000 1.119 547 I CA 1.269 62.541 61.300 -0.047 0.000 1.417 547 I CB -0.145 37.846 38.000 -0.016 0.000 1.078 547 I HN 0.145 nan 8.210 nan 0.000 0.421 548 I N -0.095 120.394 120.570 -0.135 0.000 2.361 548 I HA -0.228 3.926 4.170 -0.027 0.000 0.251 548 I C 2.414 178.407 176.117 -0.208 0.000 1.133 548 I CA 0.991 62.186 61.300 -0.175 0.000 1.413 548 I CB -0.319 37.531 38.000 -0.251 0.000 1.073 548 I HN 0.026 nan 8.210 nan 0.000 0.424 549 V N 0.151 119.887 119.914 -0.297 0.000 2.323 549 V HA -0.191 3.913 4.120 -0.027 0.000 0.244 549 V C 2.438 178.455 176.094 -0.128 0.000 1.041 549 V CA 1.363 63.504 62.300 -0.265 0.000 1.025 549 V CB -0.311 31.301 31.823 -0.352 0.000 0.656 549 V HN 0.210 nan 8.190 nan 0.000 0.451 550 V N 1.161 121.019 119.914 -0.094 0.000 2.392 550 V HA -0.214 3.890 4.120 -0.027 0.000 0.249 550 V C 2.613 178.715 176.094 0.012 0.000 1.059 550 V CA 2.247 64.526 62.300 -0.035 0.000 1.051 550 V CB -1.406 30.392 31.823 -0.041 0.000 0.658 550 V HN 0.623 nan 8.190 nan 0.000 0.455 551 G N -1.156 107.641 108.800 -0.006 0.000 2.408 551 G HA2 -0.285 3.658 3.960 -0.027 0.000 0.217 551 G HA3 -0.285 3.658 3.960 -0.027 0.000 0.217 551 G C 1.608 176.556 174.900 0.081 0.000 1.150 551 G CA 1.013 46.141 45.100 0.046 0.000 0.776 551 G HN 0.430 nan 8.290 nan 0.000 0.542 552 M N 0.890 120.499 119.600 0.016 0.000 2.067 552 M HA 0.032 4.496 4.480 -0.027 0.000 0.260 552 M C 2.819 179.168 176.300 0.081 0.000 1.069 552 M CA 1.785 57.101 55.300 0.027 0.000 1.117 552 M CB -0.212 32.353 32.600 -0.058 0.000 1.334 552 M HN 0.271 nan 8.290 nan 0.000 0.407 553 A N -0.609 122.237 122.820 0.044 0.000 1.908 553 A HA -0.259 4.045 4.320 -0.027 0.000 0.218 553 A C 1.938 179.621 177.584 0.164 0.000 1.181 553 A CA 1.731 53.804 52.037 0.061 0.000 0.627 553 A CB -1.303 17.710 19.000 0.022 0.000 0.818 553 A HN 0.751 nan 8.150 nan 0.000 0.445 554 Y N 0.129 120.460 120.300 0.051 0.000 2.314 554 Y HA 0.012 4.546 4.550 -0.026 0.000 0.293 554 Y C 1.914 177.860 175.900 0.077 0.000 1.129 554 Y CA 1.311 59.446 58.100 0.057 0.000 1.201 554 Y CB -0.095 38.383 38.460 0.030 0.000 0.999 554 Y HN 0.207 nan 8.280 nan 0.000 0.541 555 L N -1.659 119.630 121.223 0.111 0.000 2.156 555 L HA -0.169 4.155 4.340 -0.027 0.000 0.208 555 L C 2.121 179.004 176.870 0.021 0.000 1.095 555 L CA 1.056 55.920 54.840 0.041 0.000 0.770 555 L CB -0.611 41.511 42.059 0.105 0.000 0.914 555 L HN 0.219 nan 8.230 nan 0.000 0.439 556 F N 0.054 119.980 119.950 -0.041 0.000 2.146 556 F HA -0.186 4.324 4.527 -0.027 0.000 0.298 556 F C 2.245 178.010 175.800 -0.059 0.000 1.096 556 F CA 1.298 59.285 58.000 -0.021 0.000 1.275 556 F CB 0.054 39.050 39.000 -0.007 0.000 1.008 556 F HN -0.273 nan 8.300 nan 0.000 0.480 557 V N 0.363 120.340 119.914 0.106 0.000 2.323 557 V HA -0.197 3.907 4.120 -0.027 0.000 0.244 557 V C 2.257 178.255 176.094 -0.159 0.000 1.041 557 V CA 1.556 63.849 62.300 -0.012 0.000 1.025 557 V CB -0.515 31.286 31.823 -0.036 0.000 0.656 557 V HN 0.165 nan 8.190 nan 0.000 0.451 558 R N -0.094 120.230 120.500 -0.294 0.000 2.346 558 R HA 0.106 4.430 4.340 -0.027 0.000 0.199 558 R C 0.429 176.613 176.300 -0.193 0.000 1.015 558 R CA 0.230 56.156 56.100 -0.291 0.000 1.058 558 R CB -0.504 29.535 30.300 -0.435 0.000 0.921 558 R HN 0.358 nan 8.270 nan 0.000 0.475 559 L N 3.501 124.604 121.223 -0.199 0.000 2.264 559 L HA 0.306 4.630 4.340 -0.027 0.000 0.287 559 L C -2.046 174.700 176.870 -0.207 0.000 1.039 559 L CA -1.809 52.900 54.840 -0.218 0.000 0.829 559 L CB 1.592 43.470 42.059 -0.302 0.000 1.211 559 L HN -0.158 nan 8.230 nan 0.000 0.427 560 P HA 0.042 nan 4.420 nan 0.000 0.267 560 P C -0.915 176.299 177.300 -0.144 0.000 1.200 560 P CA -0.080 62.945 63.100 -0.125 0.000 0.772 560 P CB 0.776 32.420 31.700 -0.093 0.000 0.855 561 S N 0.485 116.121 115.700 -0.107 0.000 2.532 561 S HA 0.675 5.129 4.470 -0.027 0.000 0.301 561 S C -0.075 174.498 174.600 -0.044 0.000 1.083 561 S CA -0.623 57.523 58.200 -0.090 0.000 1.025 561 S CB 1.619 64.778 63.200 -0.069 0.000 1.056 561 S HN 0.393 nan 8.310 nan 0.000 0.494 562 S N -0.076 115.613 115.700 -0.018 0.000 2.795 562 S HA 0.719 5.173 4.470 -0.027 0.000 0.308 562 S C -0.309 174.354 174.600 0.106 0.000 1.098 562 S CA -0.517 57.704 58.200 0.034 0.000 0.934 562 S CB 0.922 64.139 63.200 0.030 0.000 1.300 562 S HN 0.775 nan 8.310 nan 0.000 0.566 563 F N -0.119 119.803 119.950 -0.048 0.000 2.423 563 F HA 0.625 5.135 4.527 -0.028 0.000 0.269 563 F C -0.946 174.806 175.800 -0.080 0.000 0.880 563 F CA 0.121 58.082 58.000 -0.065 0.000 1.134 563 F CB 0.267 39.227 39.000 -0.066 0.000 1.143 563 F HN 0.334 nan 8.300 nan 0.000 0.802 564 L N 2.697 123.890 121.223 -0.050 0.000 2.516 564 L HA 0.476 4.800 4.340 -0.027 0.000 0.267 564 L C -2.551 174.378 176.870 0.099 0.000 0.957 564 L CA -2.173 52.591 54.840 -0.127 0.000 0.860 564 L CB 1.374 43.325 42.059 -0.180 0.000 1.265 564 L HN -0.001 nan 8.230 nan 0.000 0.403 565 P HA 0.131 nan 4.420 nan 0.000 0.268 565 P C -0.616 176.799 177.300 0.192 0.000 1.205 565 P CA -0.217 62.987 63.100 0.173 0.000 0.771 565 P CB 0.830 32.651 31.700 0.202 0.000 0.858 566 D N 1.828 122.318 120.400 0.151 0.000 2.352 566 D HA 0.141 4.765 4.640 -0.027 0.000 0.238 566 D C 0.501 176.886 176.300 0.141 0.000 1.286 566 D CA 0.519 54.603 54.000 0.140 0.000 0.923 566 D CB 0.772 41.637 40.800 0.108 0.000 1.146 566 D HN 0.408 nan 8.370 nan 0.000 0.471 567 E N 0.162 120.419 120.200 0.095 0.000 2.408 567 E HA 0.134 4.468 4.350 -0.027 0.000 0.275 567 E C -1.095 175.521 176.600 0.026 0.000 0.935 567 E CA -0.649 55.793 56.400 0.070 0.000 0.775 567 E CB 1.910 31.622 29.700 0.020 0.000 1.277 567 E HN 0.289 nan 8.360 nan 0.000 0.455 568 D N 1.570 122.038 120.400 0.113 0.000 2.352 568 D HA 0.055 4.679 4.640 -0.027 0.000 0.245 568 D C -0.119 176.336 176.300 0.258 0.000 1.224 568 D CA 0.244 54.366 54.000 0.204 0.000 0.879 568 D CB 0.631 41.625 40.800 0.324 0.000 1.057 568 D HN 0.281 nan 8.370 nan 0.000 0.491 569 Q N 1.961 121.796 119.800 0.057 0.000 2.220 569 Q HA 0.224 4.548 4.340 -0.027 0.000 0.205 569 Q C 1.125 177.290 176.000 0.275 0.000 0.865 569 Q CA -0.047 55.708 55.803 -0.079 0.000 0.960 569 Q CB 0.827 29.293 28.738 -0.453 0.000 1.097 569 Q HN 0.787 nan 8.270 nan 0.000 0.493 570 G N 0.558 109.432 108.800 0.123 0.000 2.155 570 G HA2 -0.259 3.685 3.960 -0.027 0.000 0.257 570 G HA3 -0.259 3.685 3.960 -0.027 0.000 0.257 570 G C -0.091 174.720 174.900 -0.148 0.000 0.983 570 G CA 0.401 45.298 45.100 -0.337 0.000 0.676 570 G HN 0.294 nan 8.290 nan 0.000 0.528 571 V N 0.008 119.918 119.914 -0.006 0.000 2.950 571 V HA 0.730 4.834 4.120 -0.027 0.000 0.295 571 V C -0.639 175.564 176.094 0.182 0.000 1.297 571 V CA -0.287 61.987 62.300 -0.044 0.000 0.962 571 V CB 1.914 33.563 31.823 -0.289 0.000 1.081 571 V HN 1.270 nan 8.190 nan 0.000 0.432 572 F N 3.814 123.817 119.950 0.088 0.000 2.779 572 F HA 0.908 5.419 4.527 -0.027 0.000 0.316 572 F C -0.989 174.863 175.800 0.087 0.000 1.164 572 F CA -1.235 56.821 58.000 0.092 0.000 0.924 572 F CB 1.825 40.826 39.000 0.000 0.000 1.348 572 F HN 0.512 nan 8.300 nan 0.000 0.467 573 M N 0.928 120.545 119.600 0.027 0.000 2.691 573 M HA 0.765 5.229 4.480 -0.027 0.000 0.293 573 M C -1.416 174.619 176.300 -0.443 0.000 1.259 573 M CA -0.694 54.434 55.300 -0.286 0.000 0.827 573 M CB 2.125 34.532 32.600 -0.321 0.000 1.753 573 M HN 0.831 nan 8.290 nan 0.000 0.465 574 T N 1.881 116.291 114.554 -0.240 0.000 2.921 574 T HA 0.656 4.990 4.350 -0.027 0.000 0.297 574 T C -0.663 174.107 174.700 0.115 0.000 1.013 574 T CA -0.873 61.234 62.100 0.012 0.000 0.990 574 T CB 1.219 70.260 68.868 0.288 0.000 1.023 574 T HN 0.854 nan 8.240 nan 0.000 0.447 575 M N 3.172 122.995 119.600 0.372 0.000 2.283 575 M HA 0.843 5.307 4.480 -0.027 0.000 0.314 575 M C -1.251 175.142 176.300 0.155 0.000 1.153 575 M CA -0.697 54.781 55.300 0.298 0.000 1.084 575 M CB 1.367 34.222 32.600 0.425 0.000 1.468 575 M HN 0.270 nan 8.290 nan 0.000 0.474 576 V N 1.554 121.514 119.914 0.077 0.000 2.532 576 V HA 0.348 4.452 4.120 -0.027 0.000 0.294 576 V C -1.030 175.078 176.094 0.022 0.000 1.036 576 V CA -0.411 61.891 62.300 0.003 0.000 0.876 576 V CB 1.538 33.326 31.823 -0.059 0.000 1.012 576 V HN 0.956 nan 8.190 nan 0.000 0.432 577 Q N 4.779 124.599 119.800 0.034 0.000 2.327 577 Q HA 0.619 4.943 4.340 -0.027 0.000 0.270 577 Q C -1.252 174.757 176.000 0.015 0.000 1.022 577 Q CA -0.541 55.283 55.803 0.036 0.000 0.773 577 Q CB 1.778 30.559 28.738 0.072 0.000 1.251 577 Q HN 0.679 nan 8.270 nan 0.000 0.457 578 L N 4.059 125.284 121.223 0.005 0.000 2.479 578 L HA 0.547 4.871 4.340 -0.027 0.000 0.249 578 L C -1.746 175.132 176.870 0.012 0.000 1.178 578 L CA -1.854 52.985 54.840 -0.002 0.000 0.811 578 L CB -0.019 42.035 42.059 -0.009 0.000 1.187 578 L HN 0.562 nan 8.230 nan 0.000 0.480 579 P HA 0.069 nan 4.420 nan 0.000 0.275 579 P C -0.888 176.426 177.300 0.024 0.000 1.270 579 P CA -0.447 62.662 63.100 0.016 0.000 0.791 579 P CB 0.369 32.073 31.700 0.006 0.000 1.089 580 A N -0.682 122.156 122.820 0.030 0.000 2.477 580 A HA 0.442 4.746 4.320 -0.027 0.000 0.246 580 A C 1.370 178.974 177.584 0.033 0.000 1.078 580 A CA 0.744 52.806 52.037 0.042 0.000 0.770 580 A CB -1.420 17.613 19.000 0.056 0.000 1.011 580 A HN 0.872 nan 8.150 nan 0.000 0.494 581 G N 0.815 109.639 108.800 0.040 0.000 2.234 581 G HA2 0.145 4.089 3.960 -0.027 0.000 0.235 581 G HA3 0.145 4.089 3.960 -0.027 0.000 0.235 581 G C 0.728 175.644 174.900 0.026 0.000 0.997 581 G CA 0.378 45.498 45.100 0.033 0.000 0.623 581 G HN 2.211 nan 8.290 nan 0.000 0.514 582 A N 0.696 123.528 122.820 0.020 0.000 2.507 582 A HA 0.608 4.912 4.320 -0.027 0.000 0.235 582 A C 1.028 178.622 177.584 0.018 0.000 1.070 582 A CA 1.664 53.708 52.037 0.012 0.000 0.768 582 A CB 0.086 19.090 19.000 0.006 0.000 1.011 582 A HN 1.883 nan 8.150 nan 0.000 0.502 583 T N -1.054 113.506 114.554 0.010 0.000 2.948 583 T HA 0.378 4.712 4.350 -0.027 0.000 0.285 583 T C 0.957 175.663 174.700 0.009 0.000 1.019 583 T CA 0.029 62.137 62.100 0.013 0.000 1.013 583 T CB 1.263 70.133 68.868 0.005 0.000 1.117 583 T HN 0.705 nan 8.240 nan 0.000 0.533 584 Q N 0.003 119.812 119.800 0.015 0.000 2.096 584 Q HA -0.208 4.116 4.340 -0.027 0.000 0.204 584 Q C 1.974 177.973 176.000 -0.000 0.000 0.982 584 Q CA 1.923 57.735 55.803 0.015 0.000 0.850 584 Q CB -0.145 28.608 28.738 0.025 0.000 0.901 584 Q HN 0.891 nan 8.270 nan 0.000 0.422 585 E N -0.479 119.715 120.200 -0.010 0.000 2.274 585 E HA -0.129 4.205 4.350 -0.027 0.000 0.194 585 E C 2.016 178.602 176.600 -0.023 0.000 0.996 585 E CA 0.226 56.614 56.400 -0.020 0.000 0.840 585 E CB 0.247 29.930 29.700 -0.029 0.000 0.772 585 E HN 0.263 nan 8.360 nan 0.000 0.491 586 R N -0.368 120.121 120.500 -0.020 0.000 2.062 586 R HA -0.062 4.262 4.340 -0.027 0.000 0.226 586 R C 2.601 178.883 176.300 -0.030 0.000 1.125 586 R CA 1.737 57.823 56.100 -0.024 0.000 0.966 586 R CB -0.451 29.838 30.300 -0.019 0.000 0.861 586 R HN 0.267 nan 8.270 nan 0.000 0.433 587 T N -0.886 113.654 114.554 -0.023 0.000 2.788 587 T HA -0.183 4.151 4.350 -0.027 0.000 0.268 587 T C 1.882 176.559 174.700 -0.039 0.000 1.044 587 T CA 1.089 63.171 62.100 -0.031 0.000 1.139 587 T CB -0.180 68.679 68.868 -0.015 0.000 0.867 587 T HN 0.032 nan 8.240 nan 0.000 0.454 588 Q N 1.641 121.423 119.800 -0.030 0.000 2.135 588 Q HA -0.036 4.288 4.340 -0.027 0.000 0.204 588 Q C 2.189 178.165 176.000 -0.040 0.000 0.981 588 Q CA 1.710 57.493 55.803 -0.032 0.000 0.856 588 Q CB -0.350 28.373 28.738 -0.024 0.000 0.902 588 Q HN 0.631 nan 8.270 nan 0.000 0.425 589 K N -1.168 119.207 120.400 -0.042 0.000 2.097 589 K HA -0.051 4.253 4.320 -0.027 0.000 0.205 589 K C 1.914 178.478 176.600 -0.060 0.000 1.050 589 K CA 1.248 57.508 56.287 -0.046 0.000 0.938 589 K CB 0.073 32.547 32.500 -0.043 0.000 0.718 589 K HN 0.070 nan 8.250 nan 0.000 0.442 590 V N 1.476 121.343 119.914 -0.078 0.000 2.379 590 V HA -0.192 3.912 4.120 -0.027 0.000 0.245 590 V C 2.083 178.084 176.094 -0.156 0.000 1.044 590 V CA 1.431 63.654 62.300 -0.127 0.000 1.036 590 V CB -0.408 31.332 31.823 -0.138 0.000 0.664 590 V HN 0.239 nan 8.190 nan 0.000 0.453 591 L N 0.386 121.544 121.223 -0.108 0.000 2.275 591 L HA -0.089 4.235 4.340 -0.027 0.000 0.215 591 L C 2.319 179.163 176.870 -0.044 0.000 1.119 591 L CA 1.010 55.797 54.840 -0.089 0.000 0.790 591 L CB -0.550 41.470 42.059 -0.066 0.000 0.919 591 L HN 0.357 nan 8.230 nan 0.000 0.443 592 N N -0.175 118.508 118.700 -0.029 0.000 2.300 592 N HA -0.122 4.602 4.740 -0.027 0.000 0.179 592 N C 1.690 177.237 175.510 0.061 0.000 1.016 592 N CA 0.900 53.965 53.050 0.025 0.000 0.876 592 N CB 0.116 38.600 38.487 -0.005 0.000 0.979 592 N HN 0.401 nan 8.380 nan 0.000 0.432 593 E N 0.101 120.302 120.200 0.003 0.000 2.107 593 E HA -0.039 4.294 4.350 -0.027 0.000 0.191 593 E C 1.886 178.534 176.600 0.079 0.000 0.982 593 E CA 0.454 56.880 56.400 0.043 0.000 0.809 593 E CB 0.204 29.898 29.700 -0.010 0.000 0.756 593 E HN 0.019 nan 8.360 nan 0.000 0.459 594 V N 1.115 120.963 119.914 -0.111 0.000 2.261 594 V HA -0.291 3.813 4.120 -0.027 0.000 0.246 594 V C 2.268 178.466 176.094 0.174 0.000 1.047 594 V CA 2.240 64.476 62.300 -0.107 0.000 1.015 594 V CB -0.798 30.876 31.823 -0.250 0.000 0.642 594 V HN 0.348 nan 8.190 nan 0.000 0.446 595 T N -0.946 113.704 114.554 0.160 0.000 2.580 595 T HA -0.262 4.072 4.350 -0.027 0.000 0.265 595 T C 1.475 176.271 174.700 0.160 0.000 1.063 595 T CA 2.027 64.236 62.100 0.181 0.000 1.170 595 T CB -0.446 68.493 68.868 0.118 0.000 0.863 595 T HN 0.552 nan 8.240 nan 0.000 0.418 596 H N -0.177 118.959 119.070 0.110 0.000 2.787 596 H HA 0.213 4.753 4.556 -0.027 0.000 0.302 596 H C 0.801 176.218 175.328 0.149 0.000 1.098 596 H CA 0.037 56.142 56.048 0.095 0.000 1.192 596 H CB -0.285 29.510 29.762 0.054 0.000 1.316 596 H HN 0.555 nan 8.280 nan 0.000 0.590 597 Y N -2.079 118.278 120.300 0.095 0.000 2.701 597 Y HA -0.005 4.529 4.550 -0.027 0.000 0.275 597 Y C 0.975 176.880 175.900 0.007 0.000 1.133 597 Y CA 0.032 58.149 58.100 0.028 0.000 1.241 597 Y CB -0.096 38.385 38.460 0.035 0.000 1.389 597 Y HN 0.020 nan 8.280 nan 0.000 0.486 598 Y N 1.200 121.576 120.300 0.127 0.000 2.293 598 Y HA -0.131 4.403 4.550 -0.026 0.000 0.291 598 Y C 2.131 177.969 175.900 -0.104 0.000 1.137 598 Y CA 1.584 59.676 58.100 -0.013 0.000 1.202 598 Y CB -0.481 38.066 38.460 0.146 0.000 0.990 598 Y HN 0.201 nan 8.280 nan 0.000 0.537 599 L N -1.580 119.667 121.223 0.040 0.000 2.240 599 L HA -0.119 4.205 4.340 -0.027 0.000 0.211 599 L C 1.965 178.782 176.870 -0.088 0.000 1.106 599 L CA 1.307 56.100 54.840 -0.079 0.000 0.793 599 L CB -0.534 41.388 42.059 -0.228 0.000 0.927 599 L HN 0.175 nan 8.230 nan 0.000 0.446 600 T N -1.125 113.377 114.554 -0.086 0.000 2.914 600 T HA -0.041 4.293 4.350 -0.027 0.000 0.240 600 T C 1.628 176.249 174.700 -0.131 0.000 1.025 600 T CA 0.461 62.517 62.100 -0.075 0.000 1.198 600 T CB 0.006 68.864 68.868 -0.017 0.000 0.892 600 T HN 0.090 nan 8.240 nan 0.000 0.417 601 K N 0.995 121.238 120.400 -0.262 0.000 2.555 601 K HA 0.102 4.406 4.320 -0.027 0.000 0.193 601 K C 0.516 176.948 176.600 -0.280 0.000 1.032 601 K CA 0.624 56.718 56.287 -0.322 0.000 1.004 601 K CB 0.180 32.370 32.500 -0.518 0.000 0.804 601 K HN 0.201 nan 8.250 nan 0.000 0.496 602 E N -0.220 119.862 120.200 -0.196 0.000 4.120 602 E HA 0.098 4.432 4.350 -0.027 0.000 0.202 602 E C -0.081 176.500 176.600 -0.032 0.000 1.067 602 E CA -0.032 56.324 56.400 -0.073 0.000 1.424 602 E CB 0.359 30.072 29.700 0.022 0.000 1.164 602 E HN -0.020 nan 8.360 nan 0.000 0.439 603 K N -0.101 120.270 120.400 -0.048 0.000 2.001 603 K HA -0.180 4.124 4.320 -0.027 0.000 0.214 603 K C 1.101 177.687 176.600 -0.024 0.000 1.050 603 K CA 1.811 58.076 56.287 -0.037 0.000 0.934 603 K CB -0.067 32.412 32.500 -0.036 0.000 0.718 603 K HN 0.141 nan 8.250 nan 0.000 0.443 604 N N 0.363 119.052 118.700 -0.018 0.000 2.513 604 N HA -0.117 4.607 4.740 -0.027 0.000 0.187 604 N C 0.702 176.208 175.510 -0.007 0.000 1.056 604 N CA 1.195 54.239 53.050 -0.010 0.000 0.907 604 N CB -0.053 38.431 38.487 -0.005 0.000 0.954 604 N HN 0.352 nan 8.380 nan 0.000 0.445 605 N N -1.551 117.149 118.700 -0.001 0.000 2.594 605 N HA 0.136 4.860 4.740 -0.027 0.000 0.237 605 N C -0.728 174.779 175.510 -0.005 0.000 1.057 605 N CA -0.121 52.934 53.050 0.007 0.000 0.883 605 N CB 1.044 39.556 38.487 0.041 0.000 1.538 605 N HN -0.162 nan 8.380 nan 0.000 0.451 606 V N 2.057 121.971 119.914 0.001 0.000 2.461 606 V HA 0.075 4.179 4.120 -0.027 0.000 0.275 606 V C 0.937 176.998 176.094 -0.054 0.000 1.047 606 V CA 0.415 62.694 62.300 -0.035 0.000 0.955 606 V CB 1.457 33.271 31.823 -0.016 0.000 0.988 606 V HN 0.264 nan 8.190 nan 0.000 0.471 607 E N 3.532 123.690 120.200 -0.069 0.000 2.251 607 E HA 0.083 4.417 4.350 -0.027 0.000 0.194 607 E C 0.467 177.029 176.600 -0.063 0.000 0.964 607 E CA 0.722 57.090 56.400 -0.054 0.000 0.868 607 E CB 0.530 30.206 29.700 -0.039 0.000 0.828 607 E HN 0.822 nan 8.360 nan 0.000 0.481 608 S N -1.260 114.398 115.700 -0.070 0.000 2.537 608 S HA 0.578 5.032 4.470 -0.027 0.000 0.271 608 S C -1.186 173.375 174.600 -0.065 0.000 1.148 608 S CA -1.005 57.139 58.200 -0.093 0.000 0.868 608 S CB 1.867 65.129 63.200 0.104 0.000 1.115 608 S HN -0.056 nan 8.310 nan 0.000 0.461 609 V N 2.670 122.537 119.914 -0.077 0.000 2.349 609 V HA 0.472 4.576 4.120 -0.027 0.000 0.284 609 V C -1.255 174.913 176.094 0.123 0.000 1.014 609 V CA -0.443 61.867 62.300 0.017 0.000 0.826 609 V CB 0.836 32.690 31.823 0.050 0.000 1.009 609 V HN 0.886 nan 8.190 nan 0.000 0.431 610 F N 5.144 125.151 119.950 0.094 0.000 2.377 610 F HA 0.703 5.215 4.527 -0.026 0.000 0.360 610 F C 0.687 176.537 175.800 0.084 0.000 1.147 610 F CA -0.597 57.489 58.000 0.142 0.000 1.170 610 F CB 0.483 39.575 39.000 0.153 0.000 1.339 610 F HN 0.551 nan 8.300 nan 0.000 0.552 611 A N 5.317 127.976 122.820 -0.269 0.000 2.301 611 A HA 0.692 4.996 4.320 -0.027 0.000 0.298 611 A C -1.112 176.264 177.584 -0.347 0.000 1.185 611 A CA -0.515 51.392 52.037 -0.216 0.000 0.830 611 A CB 0.726 19.651 19.000 -0.126 0.000 1.112 611 A HN 0.503 nan 8.150 nan 0.000 0.508 612 V N 3.458 123.259 119.914 -0.189 0.000 2.443 612 V HA 0.250 4.354 4.120 -0.027 0.000 0.293 612 V C -0.055 176.046 176.094 0.013 0.000 1.021 612 V CA -0.694 61.540 62.300 -0.110 0.000 0.848 612 V CB 1.400 33.203 31.823 -0.033 0.000 0.998 612 V HN 0.999 nan 8.190 nan 0.000 0.424 613 N N 3.071 121.783 118.700 0.019 0.000 2.434 613 N HA 0.540 5.264 4.740 -0.027 0.000 0.272 613 N C 1.054 176.628 175.510 0.107 0.000 1.040 613 N CA 0.916 53.992 53.050 0.044 0.000 0.956 613 N CB 1.138 39.637 38.487 0.019 0.000 1.108 613 N HN 1.004 nan 8.380 nan 0.000 0.481 614 G N 2.724 111.588 108.800 0.106 0.000 2.258 614 G HA2 -0.265 3.679 3.960 -0.027 0.000 0.233 614 G HA3 -0.265 3.679 3.960 -0.027 0.000 0.233 614 G C -0.164 174.846 174.900 0.183 0.000 1.006 614 G CA -0.016 45.160 45.100 0.127 0.000 0.620 614 G HN 0.568 nan 8.290 nan 0.000 0.511 615 F N 2.214 122.199 119.950 0.059 0.000 2.427 615 F HA 0.704 5.215 4.527 -0.028 0.000 0.346 615 F C 0.532 176.322 175.800 -0.017 0.000 1.120 615 F CA 0.310 58.348 58.000 0.064 0.000 1.033 615 F CB 1.532 40.636 39.000 0.174 0.000 1.126 615 F HN 0.360 nan 8.300 nan 0.000 0.462 616 G N 3.847 112.237 108.800 -0.684 0.000 3.176 616 G HA2 0.367 4.311 3.960 -0.027 0.000 0.272 616 G HA3 0.367 4.311 3.960 -0.027 0.000 0.272 616 G C -1.100 173.309 174.900 -0.819 0.000 1.349 616 G CA -0.596 44.156 45.100 -0.581 0.000 0.953 616 G HN 0.495 nan 8.290 nan 0.000 0.559 617 F N 0.027 119.863 119.950 -0.191 0.000 2.682 617 F HA 0.386 4.897 4.527 -0.027 0.000 0.308 617 F C 2.086 177.835 175.800 -0.086 0.000 1.093 617 F CA 0.091 58.012 58.000 -0.132 0.000 1.244 617 F CB 0.942 39.923 39.000 -0.031 0.000 1.052 617 F HN 0.432 nan 8.300 nan 0.000 0.573 618 A N -0.368 122.491 122.820 0.066 0.000 2.308 618 A HA 0.636 4.940 4.320 -0.027 0.000 0.217 618 A C 1.207 178.803 177.584 0.020 0.000 1.216 618 A CA 0.620 52.684 52.037 0.044 0.000 0.864 618 A CB -0.598 18.427 19.000 0.041 0.000 0.902 618 A HN 0.430 nan 8.150 nan 0.000 0.499 619 G N -0.833 107.954 108.800 -0.021 0.000 2.331 619 G HA2 0.094 4.038 3.960 -0.027 0.000 0.402 619 G HA3 0.094 4.038 3.960 -0.027 0.000 0.402 619 G C -0.799 174.068 174.900 -0.054 0.000 1.275 619 G CA -0.936 44.151 45.100 -0.021 0.000 1.003 619 G HN 0.377 nan 8.290 nan 0.000 0.500 620 R N -0.441 120.057 120.500 -0.004 0.000 2.691 620 R HA 0.762 5.085 4.340 -0.027 0.000 0.259 620 R C 0.363 176.687 176.300 0.040 0.000 1.048 620 R CA 0.200 56.314 56.100 0.023 0.000 1.086 620 R CB 1.499 31.837 30.300 0.063 0.000 1.166 620 R HN 2.216 nan 8.270 nan 0.000 0.526 621 G N 0.081 108.915 108.800 0.057 0.000 2.317 621 G HA2 -0.114 3.830 3.960 -0.027 0.000 0.445 621 G HA3 -0.114 3.830 3.960 -0.027 0.000 0.445 621 G C -0.206 174.728 174.900 0.057 0.000 1.486 621 G CA -0.794 44.341 45.100 0.058 0.000 0.991 621 G HN 0.558 nan 8.290 nan 0.000 0.660 622 Q N -0.206 119.628 119.800 0.057 0.000 2.364 622 Q HA -0.113 4.211 4.340 -0.027 0.000 0.209 622 Q C 2.086 178.107 176.000 0.034 0.000 0.977 622 Q CA 1.567 57.399 55.803 0.049 0.000 0.885 622 Q CB -0.004 28.762 28.738 0.047 0.000 0.941 622 Q HN 0.605 nan 8.270 nan 0.000 0.464 623 N N -0.371 118.349 118.700 0.033 0.000 2.336 623 N HA -0.051 4.673 4.740 -0.027 0.000 0.189 623 N C -0.014 175.507 175.510 0.019 0.000 1.113 623 N CA 0.408 53.472 53.050 0.023 0.000 0.858 623 N CB 0.173 38.676 38.487 0.027 0.000 0.970 623 N HN 0.026 nan 8.380 nan 0.000 0.471 624 T N -3.560 111.007 114.554 0.022 0.000 2.912 624 T HA 0.827 5.161 4.350 -0.027 0.000 0.288 624 T C 0.037 174.746 174.700 0.014 0.000 1.030 624 T CA -0.629 61.479 62.100 0.013 0.000 1.020 624 T CB 2.115 70.982 68.868 -0.002 0.000 1.056 624 T HN 0.199 nan 8.240 nan 0.000 0.480 625 G N 0.463 109.265 108.800 0.004 0.000 2.704 625 G HA2 0.640 4.584 3.960 -0.027 0.000 0.293 625 G HA3 0.640 4.584 3.960 -0.027 0.000 0.293 625 G C -2.084 172.808 174.900 -0.013 0.000 1.421 625 G CA -0.769 44.333 45.100 0.004 0.000 0.870 625 G HN 0.910 nan 8.290 nan 0.000 0.492 626 I N 0.399 120.953 120.570 -0.027 0.000 2.619 626 I HA 0.777 4.931 4.170 -0.027 0.000 0.292 626 I C -0.347 175.661 176.117 -0.182 0.000 1.100 626 I CA -0.709 60.523 61.300 -0.113 0.000 1.043 626 I CB 2.212 40.100 38.000 -0.187 0.000 1.239 626 I HN 0.850 nan 8.210 nan 0.000 0.420 627 A N 6.854 129.547 122.820 -0.212 0.000 2.340 627 A HA 0.678 4.982 4.320 -0.027 0.000 0.297 627 A C -1.345 176.103 177.584 -0.227 0.000 1.195 627 A CA -0.333 51.616 52.037 -0.146 0.000 0.769 627 A CB 0.118 19.114 19.000 -0.006 0.000 1.163 627 A HN 0.484 nan 8.150 nan 0.000 0.472 628 F N 2.073 122.013 119.950 -0.018 0.000 2.467 628 F HA 0.414 4.925 4.527 -0.027 0.000 0.362 628 F C 0.426 176.190 175.800 -0.060 0.000 1.090 628 F CA 0.060 58.030 58.000 -0.049 0.000 1.202 628 F CB 1.358 40.313 39.000 -0.076 0.000 1.113 628 F HN 0.257 nan 8.300 nan 0.000 0.541 629 V N 2.825 122.676 119.914 -0.104 0.000 2.459 629 V HA 0.472 4.575 4.120 -0.027 0.000 0.295 629 V C -0.270 175.656 176.094 -0.280 0.000 1.029 629 V CA -0.689 61.346 62.300 -0.443 0.000 0.874 629 V CB 1.759 32.771 31.823 -1.352 0.000 0.985 629 V HN 0.766 nan 8.190 nan 0.000 0.438 630 S N 5.497 121.102 115.700 -0.159 0.000 2.482 630 S HA 0.803 5.257 4.470 -0.027 0.000 0.303 630 S C -0.795 173.722 174.600 -0.138 0.000 1.091 630 S CA -0.553 57.577 58.200 -0.116 0.000 1.057 630 S CB 0.952 64.141 63.200 -0.019 0.000 1.031 630 S HN 0.520 nan 8.310 nan 0.000 0.485 631 L N 3.297 124.431 121.223 -0.148 0.000 2.365 631 L HA 0.584 4.908 4.340 -0.027 0.000 0.267 631 L C 0.449 177.224 176.870 -0.159 0.000 1.033 631 L CA -1.247 53.515 54.840 -0.131 0.000 0.802 631 L CB 0.694 42.690 42.059 -0.106 0.000 1.267 631 L HN 0.532 nan 8.230 nan 0.000 0.457 632 K N 1.406 121.729 120.400 -0.129 0.000 2.319 632 K HA 0.079 4.383 4.320 -0.027 0.000 0.265 632 K C -0.504 175.950 176.600 -0.243 0.000 1.000 632 K CA -0.325 55.881 56.287 -0.135 0.000 0.943 632 K CB 0.433 32.886 32.500 -0.078 0.000 0.950 632 K HN 0.659 nan 8.250 nan 0.000 0.485 633 D N 0.710 120.947 120.400 -0.271 0.000 2.369 633 D HA -0.073 4.551 4.640 -0.027 0.000 0.241 633 D C 0.704 176.801 176.300 -0.338 0.000 1.271 633 D CA -0.184 53.510 54.000 -0.510 0.000 0.942 633 D CB 0.356 40.961 40.800 -0.324 0.000 1.129 633 D HN 0.511 nan 8.370 nan 0.000 0.476 634 W N 0.117 121.453 121.300 0.061 0.000 2.374 634 W HA 0.070 4.714 4.660 -0.027 0.000 0.288 634 W C 2.615 179.166 176.519 0.055 0.000 1.218 634 W CA 0.835 58.221 57.345 0.068 0.000 1.245 634 W CB -1.076 28.436 29.460 0.086 0.000 1.126 634 W HN 0.525 nan 8.180 nan 0.000 0.545 635 A N 0.858 123.842 122.820 0.273 0.000 1.930 635 A HA -0.162 4.142 4.320 -0.027 0.000 0.217 635 A C 1.470 179.114 177.584 0.100 0.000 1.175 635 A CA 1.875 54.013 52.037 0.167 0.000 0.627 635 A CB -0.701 18.383 19.000 0.140 0.000 0.815 635 A HN 0.155 nan 8.150 nan 0.000 0.443 636 D N -0.581 119.856 120.400 0.063 0.000 2.340 636 D HA 0.065 4.689 4.640 -0.027 0.000 0.220 636 D C 0.328 176.648 176.300 0.033 0.000 1.039 636 D CA 0.409 54.428 54.000 0.031 0.000 0.866 636 D CB 0.042 40.842 40.800 0.001 0.000 0.913 636 D HN 0.398 nan 8.370 nan 0.000 0.523 637 R N 1.027 121.563 120.500 0.060 0.000 2.681 637 R HA 0.169 4.493 4.340 -0.027 0.000 0.277 637 R C -1.925 174.433 176.300 0.098 0.000 1.563 637 R CA -0.916 55.224 56.100 0.067 0.000 1.673 637 R CB 1.385 31.719 30.300 0.057 0.000 1.258 637 R HN -0.022 nan 8.270 nan 0.000 0.650 638 P HA -0.022 nan 4.420 nan 0.000 0.236 638 P C 0.706 178.050 177.300 0.074 0.000 1.177 638 P CA 0.422 63.573 63.100 0.085 0.000 0.773 638 P CB 0.416 32.156 31.700 0.067 0.000 0.878 639 G N 0.880 109.718 108.800 0.064 0.000 2.442 639 G HA2 -0.018 3.926 3.960 -0.027 0.000 0.249 639 G HA3 -0.018 3.926 3.960 -0.027 0.000 0.249 639 G C 0.790 175.726 174.900 0.061 0.000 1.263 639 G CA -0.235 44.897 45.100 0.054 0.000 0.846 639 G HN -0.028 nan 8.290 nan 0.000 0.555 640 E N 0.924 121.156 120.200 0.053 0.000 2.152 640 E HA -0.133 4.201 4.350 -0.027 0.000 0.192 640 E C 2.247 178.874 176.600 0.046 0.000 0.983 640 E CA 0.959 57.391 56.400 0.054 0.000 0.818 640 E CB 0.119 29.846 29.700 0.046 0.000 0.758 640 E HN 0.791 nan 8.360 nan 0.000 0.467 641 E N 0.050 120.273 120.200 0.038 0.000 2.418 641 E HA -0.120 4.214 4.350 -0.027 0.000 0.197 641 E C 0.654 177.274 176.600 0.033 0.000 1.026 641 E CA 0.528 56.946 56.400 0.031 0.000 0.862 641 E CB -0.230 29.485 29.700 0.024 0.000 0.799 641 E HN 0.072 nan 8.360 nan 0.000 0.518 642 N N 0.959 119.684 118.700 0.043 0.000 2.280 642 N HA 0.052 4.776 4.740 -0.027 0.000 0.192 642 N C 0.021 175.569 175.510 0.062 0.000 1.109 642 N CA 0.058 53.137 53.050 0.048 0.000 0.855 642 N CB 0.358 38.874 38.487 0.049 0.000 0.974 642 N HN 0.129 nan 8.380 nan 0.000 0.482 643 K N -0.023 120.416 120.400 0.064 0.000 2.258 643 K HA 0.156 4.460 4.320 -0.027 0.000 0.264 643 K C 1.253 177.873 176.600 0.034 0.000 1.007 643 K CA -0.176 56.157 56.287 0.077 0.000 0.941 643 K CB 0.895 33.442 32.500 0.078 0.000 0.966 643 K HN -0.290 nan 8.250 nan 0.000 0.480 644 V N 2.490 122.424 119.914 0.034 0.000 2.287 644 V HA -0.230 3.874 4.120 -0.027 0.000 0.248 644 V C 2.182 178.211 176.094 -0.108 0.000 1.053 644 V CA 1.864 64.119 62.300 -0.075 0.000 1.027 644 V CB -0.669 31.149 31.823 -0.010 0.000 0.646 644 V HN 0.891 nan 8.190 nan 0.000 0.447 645 E N 0.278 120.467 120.200 -0.019 0.000 2.114 645 E HA -0.298 4.036 4.350 -0.027 0.000 0.199 645 E C 2.171 178.764 176.600 -0.011 0.000 1.008 645 E CA 2.052 58.452 56.400 -0.001 0.000 0.810 645 E CB -0.137 29.584 29.700 0.034 0.000 0.739 645 E HN 0.591 nan 8.360 nan 0.000 0.456 646 A N -0.045 122.770 122.820 -0.008 0.000 2.044 646 A HA 0.071 4.375 4.320 -0.027 0.000 0.213 646 A C 2.227 179.803 177.584 -0.014 0.000 1.169 646 A CA 0.137 52.174 52.037 -0.000 0.000 0.724 646 A CB -0.186 18.824 19.000 0.016 0.000 0.840 646 A HN 0.177 nan 8.150 nan 0.000 0.463 647 I N 0.609 121.150 120.570 -0.049 0.000 2.113 647 I HA -0.245 3.909 4.170 -0.027 0.000 0.238 647 I C 2.938 179.019 176.117 -0.059 0.000 1.070 647 I CA 1.977 63.250 61.300 -0.044 0.000 1.332 647 I CB -0.496 37.465 38.000 -0.064 0.000 1.044 647 I HN 0.515 nan 8.210 nan 0.000 0.402 648 T N -0.952 113.459 114.554 -0.239 0.000 2.759 648 T HA -0.272 4.062 4.350 -0.027 0.000 0.269 648 T C 1.935 176.643 174.700 0.014 0.000 1.042 648 T CA 1.029 63.034 62.100 -0.158 0.000 1.140 648 T CB -0.419 68.303 68.868 -0.243 0.000 0.864 648 T HN 0.196 nan 8.240 nan 0.000 0.455 649 M N 2.163 121.765 119.600 0.003 0.000 2.106 649 M HA -0.161 4.303 4.480 -0.027 0.000 0.259 649 M C 2.652 178.974 176.300 0.038 0.000 1.068 649 M CA 2.176 57.497 55.300 0.035 0.000 1.100 649 M CB -0.419 32.196 32.600 0.024 0.000 1.351 649 M HN 0.555 nan 8.290 nan 0.000 0.404 650 R N -0.501 120.020 120.500 0.035 0.000 2.080 650 R HA 0.091 4.415 4.340 -0.027 0.000 0.222 650 R C 2.140 178.437 176.300 -0.004 0.000 1.107 650 R CA 1.179 57.294 56.100 0.025 0.000 0.980 650 R CB -0.981 29.341 30.300 0.038 0.000 0.879 650 R HN 0.249 nan 8.270 nan 0.000 0.439 651 A N 1.497 124.351 122.820 0.057 0.000 1.892 651 A HA -0.186 4.118 4.320 -0.027 0.000 0.218 651 A C 2.258 179.742 177.584 -0.166 0.000 1.188 651 A CA 2.309 54.301 52.037 -0.075 0.000 0.631 651 A CB -1.306 17.852 19.000 0.262 0.000 0.822 651 A HN 0.492 nan 8.150 nan 0.000 0.447 652 T N -1.056 113.525 114.554 0.045 0.000 2.788 652 T HA -0.137 4.197 4.350 -0.027 0.000 0.268 652 T C 2.063 176.749 174.700 -0.023 0.000 1.044 652 T CA 1.395 63.542 62.100 0.079 0.000 1.139 652 T CB -0.213 68.771 68.868 0.194 0.000 0.867 652 T HN 0.505 nan 8.240 nan 0.000 0.454 653 R N 0.725 121.199 120.500 -0.043 0.000 2.066 653 R HA 0.010 4.334 4.340 -0.027 0.000 0.232 653 R C 2.695 178.906 176.300 -0.149 0.000 1.131 653 R CA 1.296 57.358 56.100 -0.063 0.000 0.955 653 R CB -0.462 29.817 30.300 -0.036 0.000 0.851 653 R HN 0.375 nan 8.270 nan 0.000 0.432 654 A N 0.231 122.878 122.820 -0.287 0.000 1.978 654 A HA -0.141 4.163 4.320 -0.027 0.000 0.220 654 A C 0.942 178.196 177.584 -0.550 0.000 1.170 654 A CA 1.159 52.903 52.037 -0.489 0.000 0.636 654 A CB -0.289 18.234 19.000 -0.795 0.000 0.810 654 A HN 0.311 nan 8.150 nan 0.000 0.448 655 F N -0.025 119.769 119.950 -0.261 0.000 2.925 655 F HA 0.236 4.747 4.527 -0.027 0.000 0.302 655 F C 1.664 177.331 175.800 -0.223 0.000 1.189 655 F CA -0.109 57.736 58.000 -0.260 0.000 1.346 655 F CB -0.193 38.625 39.000 -0.304 0.000 0.954 655 F HN 0.293 nan 8.300 nan 0.000 0.506 656 S N -1.335 114.339 115.700 -0.043 0.000 3.036 656 S HA -0.010 4.444 4.470 -0.027 0.000 0.194 656 S C 1.846 176.420 174.600 -0.043 0.000 0.797 656 S CA 0.038 58.199 58.200 -0.065 0.000 0.822 656 S CB -0.287 62.878 63.200 -0.057 0.000 0.810 656 S HN 0.209 nan 8.310 nan 0.000 0.629 657 Q N 1.703 121.482 119.800 -0.035 0.000 1.985 657 Q HA -0.095 4.229 4.340 -0.027 0.000 0.207 657 Q C 0.641 176.629 176.000 -0.021 0.000 0.996 657 Q CA 1.604 57.393 55.803 -0.024 0.000 0.851 657 Q CB -0.810 27.915 28.738 -0.022 0.000 0.921 657 Q HN 0.807 nan 8.270 nan 0.000 0.418 658 I N -0.221 120.337 120.570 -0.020 0.000 2.396 658 I HA 0.488 4.642 4.170 -0.027 0.000 0.289 658 I C -0.192 175.921 176.117 -0.007 0.000 1.056 658 I CA -0.220 61.073 61.300 -0.012 0.000 1.365 658 I CB 1.035 39.030 38.000 -0.009 0.000 1.407 658 I HN -0.086 nan 8.210 nan 0.000 0.509 659 K N 3.696 124.088 120.400 -0.015 0.000 3.552 659 K HA 0.333 4.636 4.320 -0.027 0.000 0.382 659 K C -1.544 175.037 176.600 -0.030 0.000 1.059 659 K CA 0.034 56.306 56.287 -0.025 0.000 0.799 659 K CB 0.587 33.064 32.500 -0.039 0.000 1.495 659 K HN 0.731 nan 8.250 nan 0.000 0.491 660 D N -1.366 119.011 120.400 -0.040 0.000 2.475 660 D HA 0.426 5.050 4.640 -0.027 0.000 0.306 660 D C -0.086 176.192 176.300 -0.037 0.000 1.304 660 D CA 0.101 54.081 54.000 -0.034 0.000 0.862 660 D CB 0.626 41.408 40.800 -0.030 0.000 1.306 660 D HN 0.501 nan 8.370 nan 0.000 0.494 661 A N -0.066 122.722 122.820 -0.054 0.000 2.539 661 A HA 0.881 5.185 4.320 -0.027 0.000 0.272 661 A C -1.425 176.115 177.584 -0.074 0.000 1.286 661 A CA -0.855 51.148 52.037 -0.056 0.000 0.792 661 A CB 1.311 20.267 19.000 -0.073 0.000 1.355 661 A HN 0.058 nan 8.150 nan 0.000 0.472 662 M N 0.965 120.522 119.600 -0.071 0.000 2.067 662 M HA 0.466 4.930 4.480 -0.027 0.000 0.286 662 M C -1.628 174.564 176.300 -0.179 0.000 0.922 662 M CA -0.079 55.143 55.300 -0.131 0.000 0.937 662 M CB 1.798 34.413 32.600 0.025 0.000 1.550 662 M HN 0.364 nan 8.290 nan 0.000 0.433 663 V N 4.514 124.205 119.914 -0.372 0.000 2.513 663 V HA 0.630 4.734 4.120 -0.027 0.000 0.299 663 V C -0.991 174.834 176.094 -0.447 0.000 1.035 663 V CA -0.525 61.614 62.300 -0.268 0.000 0.889 663 V CB 1.707 33.344 31.823 -0.310 0.000 0.988 663 V HN 0.607 nan 8.190 nan 0.000 0.440 664 F N 2.099 122.162 119.950 0.189 0.000 2.569 664 F HA 0.773 5.285 4.527 -0.026 0.000 0.312 664 F C 0.280 176.318 175.800 0.396 0.000 1.109 664 F CA -0.630 57.532 58.000 0.270 0.000 0.919 664 F CB 1.999 41.143 39.000 0.240 0.000 1.211 664 F HN 0.549 nan 8.300 nan 0.000 0.446 665 A N 3.504 126.643 122.820 0.531 0.000 2.305 665 A HA 0.891 5.195 4.320 -0.027 0.000 0.322 665 A C -1.324 176.515 177.584 0.424 0.000 1.187 665 A CA -0.419 51.878 52.037 0.433 0.000 0.825 665 A CB 0.291 19.542 19.000 0.418 0.000 1.164 665 A HN 0.698 nan 8.150 nan 0.000 0.498 666 F N 0.373 120.490 119.950 0.279 0.000 2.619 666 F HA 0.516 5.027 4.527 -0.027 0.000 0.308 666 F C -0.650 175.275 175.800 0.209 0.000 1.097 666 F CA -1.176 56.931 58.000 0.179 0.000 0.953 666 F CB 1.211 40.296 39.000 0.142 0.000 1.287 666 F HN 0.553 nan 8.300 nan 0.000 0.446 667 N N 2.364 121.236 118.700 0.285 0.000 2.513 667 N HA 0.489 5.213 4.740 -0.027 0.000 0.274 667 N C -0.591 175.115 175.510 0.327 0.000 1.189 667 N CA -0.612 52.581 53.050 0.239 0.000 0.975 667 N CB 1.085 39.656 38.487 0.140 0.000 1.157 667 N HN 0.806 nan 8.380 nan 0.000 0.465 668 L N 0.868 122.264 121.223 0.288 0.000 2.466 668 L HA 0.582 4.906 4.340 -0.027 0.000 0.257 668 L C -2.148 174.846 176.870 0.207 0.000 1.189 668 L CA -1.597 53.414 54.840 0.286 0.000 0.813 668 L CB -0.091 42.143 42.059 0.291 0.000 1.118 668 L HN 0.416 nan 8.230 nan 0.000 0.471 669 P HA 0.158 nan 4.420 nan 0.000 0.279 669 P C -0.070 177.346 177.300 0.194 0.000 1.282 669 P CA -0.292 62.905 63.100 0.162 0.000 0.788 669 P CB 0.952 32.728 31.700 0.127 0.000 1.139 670 A N 0.327 123.274 122.820 0.213 0.000 1.850 670 A HA 0.057 4.361 4.320 -0.027 0.000 0.212 670 A C 1.517 179.256 177.584 0.258 0.000 1.208 670 A CA 0.830 53.033 52.037 0.276 0.000 0.609 670 A CB -1.257 17.899 19.000 0.260 0.000 0.860 670 A HN 0.508 nan 8.150 nan 0.000 0.448 671 I N 1.819 122.491 120.570 0.170 0.000 2.366 671 I HA 0.018 4.172 4.170 -0.027 0.000 0.302 671 I C 1.072 177.277 176.117 0.147 0.000 1.194 671 I CA -0.434 60.940 61.300 0.125 0.000 1.667 671 I CB 0.166 38.227 38.000 0.103 0.000 1.501 671 I HN 0.040 nan 8.210 nan 0.000 0.776 672 V N 4.317 124.345 119.914 0.190 0.000 2.317 672 V HA -0.291 3.813 4.120 -0.027 0.000 0.251 672 V C 2.556 178.726 176.094 0.127 0.000 1.065 672 V CA 2.289 64.696 62.300 0.178 0.000 1.049 672 V CB -0.639 31.317 31.823 0.221 0.000 0.651 672 V HN 0.860 nan 8.190 nan 0.000 0.450 673 E N -0.201 120.072 120.200 0.121 0.000 2.478 673 E HA -0.100 4.234 4.350 -0.027 0.000 0.198 673 E C 1.917 178.556 176.600 0.064 0.000 1.046 673 E CA 0.813 57.265 56.400 0.087 0.000 0.870 673 E CB -0.121 29.635 29.700 0.094 0.000 0.818 673 E HN 0.567 nan 8.360 nan 0.000 0.527 674 L N 0.590 121.855 121.223 0.071 0.000 2.121 674 L HA 0.169 4.493 4.340 -0.027 0.000 0.200 674 L C 1.742 178.638 176.870 0.045 0.000 1.132 674 L CA 0.824 55.703 54.840 0.065 0.000 0.782 674 L CB -0.778 41.325 42.059 0.073 0.000 0.940 674 L HN 0.167 nan 8.230 nan 0.000 0.458 675 G N -1.816 107.008 108.800 0.040 0.000 2.516 675 G HA2 0.178 4.122 3.960 -0.027 0.000 0.276 675 G HA3 0.178 4.122 3.960 -0.027 0.000 0.276 675 G C 0.514 175.391 174.900 -0.039 0.000 1.390 675 G CA 0.511 45.615 45.100 0.006 0.000 1.050 675 G HN 0.219 nan 8.290 nan 0.000 0.519 676 T N -2.382 112.126 114.554 -0.076 0.000 3.028 676 T HA 0.572 4.906 4.350 -0.027 0.000 0.262 676 T C 0.220 174.914 174.700 -0.009 0.000 0.916 676 T CA 1.141 63.156 62.100 -0.143 0.000 0.873 676 T CB -0.072 68.590 68.868 -0.344 0.000 1.232 676 T HN 1.226 nan 8.240 nan 0.000 0.529 677 A N 0.274 123.076 122.820 -0.029 0.000 2.609 677 A HA 0.679 4.983 4.320 -0.027 0.000 0.291 677 A C -0.252 177.343 177.584 0.019 0.000 1.096 677 A CA -0.590 51.459 52.037 0.021 0.000 0.684 677 A CB 0.881 19.658 19.000 -0.372 0.000 1.282 677 A HN 0.151 nan 8.150 nan 0.000 0.412 678 T N 0.886 115.491 114.554 0.084 0.000 2.903 678 T HA 0.512 4.846 4.350 -0.027 0.000 0.314 678 T C 0.893 175.555 174.700 -0.063 0.000 1.078 678 T CA 1.564 63.692 62.100 0.048 0.000 1.114 678 T CB 0.441 69.362 68.868 0.090 0.000 0.987 678 T HN 2.422 nan 8.240 nan 0.000 0.548 679 G N 1.435 110.204 108.800 -0.050 0.000 2.500 679 G HA2 0.023 3.967 3.960 -0.027 0.000 0.209 679 G HA3 0.023 3.967 3.960 -0.027 0.000 0.209 679 G C -0.629 174.220 174.900 -0.084 0.000 1.283 679 G CA -0.450 44.573 45.100 -0.127 0.000 0.960 679 G HN 0.925 nan 8.290 nan 0.000 0.528 680 F N 0.731 120.673 119.950 -0.013 0.000 2.371 680 F HA 0.684 5.194 4.527 -0.027 0.000 0.329 680 F C 0.098 175.971 175.800 0.123 0.000 1.107 680 F CA -0.758 57.257 58.000 0.024 0.000 1.137 680 F CB 1.285 40.322 39.000 0.062 0.000 1.214 680 F HN 0.548 nan 8.300 nan 0.000 0.536 681 D N 2.412 123.046 120.400 0.390 0.000 2.471 681 D HA 0.253 4.877 4.640 -0.027 0.000 0.245 681 D C -1.486 175.135 176.300 0.536 0.000 1.116 681 D CA -0.345 53.865 54.000 0.350 0.000 0.853 681 D CB 1.278 42.131 40.800 0.088 0.000 1.123 681 D HN 0.555 nan 8.370 nan 0.000 0.540 682 F N 1.312 121.466 119.950 0.340 0.000 2.404 682 F HA 0.458 4.969 4.527 -0.026 0.000 0.339 682 F C -0.092 175.583 175.800 -0.207 0.000 1.105 682 F CA -0.695 57.260 58.000 -0.076 0.000 1.087 682 F CB 1.640 40.550 39.000 -0.150 0.000 1.143 682 F HN 0.200 nan 8.300 nan 0.000 0.491 683 E N 4.854 124.516 120.200 -0.896 0.000 2.145 683 E HA 0.399 4.733 4.350 -0.027 0.000 0.270 683 E C -1.870 174.255 176.600 -0.792 0.000 0.906 683 E CA -0.623 55.332 56.400 -0.742 0.000 0.761 683 E CB 1.365 30.464 29.700 -1.002 0.000 1.116 683 E HN 0.621 nan 8.360 nan 0.000 0.408 684 L N 5.751 126.761 121.223 -0.354 0.000 2.280 684 L HA 0.556 4.880 4.340 -0.027 0.000 0.287 684 L C -1.444 175.367 176.870 -0.099 0.000 1.023 684 L CA -0.290 54.453 54.840 -0.161 0.000 0.819 684 L CB 0.721 42.822 42.059 0.070 0.000 1.212 684 L HN 0.547 nan 8.230 nan 0.000 0.420 685 I N 4.022 124.538 120.570 -0.089 0.000 2.433 685 I HA 0.297 4.451 4.170 -0.027 0.000 0.292 685 I C -0.458 175.648 176.117 -0.018 0.000 1.001 685 I CA -0.482 60.792 61.300 -0.042 0.000 1.119 685 I CB 1.699 39.675 38.000 -0.040 0.000 1.289 685 I HN 0.480 nan 8.210 nan 0.000 0.438 686 D N 4.538 124.937 120.400 -0.001 0.000 2.383 686 D HA 0.044 4.668 4.640 -0.027 0.000 0.245 686 D C 0.790 177.091 176.300 0.001 0.000 1.263 686 D CA 0.017 54.019 54.000 0.003 0.000 0.936 686 D CB 0.883 41.692 40.800 0.015 0.000 1.053 686 D HN 0.527 nan 8.370 nan 0.000 0.507 687 Q N 4.582 124.378 119.800 -0.007 0.000 1.984 687 Q HA 0.089 4.413 4.340 -0.027 0.000 0.196 687 Q C 0.378 176.376 176.000 -0.004 0.000 0.975 687 Q CA 0.944 56.741 55.803 -0.010 0.000 0.827 687 Q CB -0.520 28.206 28.738 -0.019 0.000 0.894 687 Q HN 0.380 nan 8.270 nan 0.000 0.438 688 A N 0.186 123.005 122.820 -0.002 0.000 2.386 688 A HA 0.492 4.796 4.320 -0.027 0.000 0.246 688 A C 0.850 178.437 177.584 0.005 0.000 1.089 688 A CA 0.042 52.080 52.037 0.001 0.000 0.790 688 A CB -0.321 18.679 19.000 0.001 0.000 1.042 688 A HN 0.612 nan 8.150 nan 0.000 0.497 689 G N 0.202 109.006 108.800 0.007 0.000 3.180 689 G HA2 0.333 4.277 3.960 -0.027 0.000 0.252 689 G HA3 0.333 4.277 3.960 -0.027 0.000 0.252 689 G C 0.567 175.475 174.900 0.014 0.000 0.871 689 G CA -0.163 44.945 45.100 0.012 0.000 1.979 689 G HN 0.590 nan 8.290 nan 0.000 0.624 690 L N 0.437 121.668 121.223 0.013 0.000 2.209 690 L HA 0.250 4.574 4.340 -0.027 0.000 0.207 690 L C 1.678 178.560 176.870 0.019 0.000 1.094 690 L CA 0.708 55.555 54.840 0.012 0.000 0.790 690 L CB -0.599 41.462 42.059 0.004 0.000 0.932 690 L HN 0.553 nan 8.230 nan 0.000 0.447 691 G N -0.850 107.969 108.800 0.032 0.000 2.756 691 G HA2 -0.335 3.609 3.960 -0.027 0.000 0.678 691 G HA3 -0.335 3.609 3.960 -0.027 0.000 0.678 691 G C 0.068 175.011 174.900 0.071 0.000 1.349 691 G CA 0.200 45.334 45.100 0.058 0.000 0.847 691 G HN 0.358 nan 8.290 nan 0.000 0.548 692 H N -0.168 118.912 119.070 0.015 0.000 2.423 692 H HA -0.003 4.537 4.556 -0.027 0.000 0.297 692 H C 2.261 177.596 175.328 0.012 0.000 1.075 692 H CA 2.422 58.480 56.048 0.017 0.000 1.342 692 H CB 0.145 29.921 29.762 0.023 0.000 1.395 692 H HN 0.652 nan 8.280 nan 0.000 0.530 693 E N 0.641 120.841 120.200 0.001 0.000 2.017 693 E HA -0.208 4.126 4.350 -0.027 0.000 0.193 693 E C 1.821 178.365 176.600 -0.093 0.000 0.997 693 E CA 1.364 57.733 56.400 -0.051 0.000 0.804 693 E CB 0.044 29.751 29.700 0.012 0.000 0.757 693 E HN 0.480 nan 8.360 nan 0.000 0.448 694 K N 0.494 120.863 120.400 -0.052 0.000 2.211 694 K HA -0.032 4.272 4.320 -0.027 0.000 0.203 694 K C 2.156 178.718 176.600 -0.063 0.000 1.050 694 K CA 0.507 56.766 56.287 -0.046 0.000 0.945 694 K CB -0.032 32.455 32.500 -0.021 0.000 0.732 694 K HN 0.219 nan 8.250 nan 0.000 0.451 695 L N 0.928 122.100 121.223 -0.085 0.000 2.156 695 L HA -0.134 4.190 4.340 -0.027 0.000 0.208 695 L C 1.573 178.364 176.870 -0.132 0.000 1.095 695 L CA 1.519 56.307 54.840 -0.087 0.000 0.770 695 L CB -0.471 41.550 42.059 -0.063 0.000 0.914 695 L HN 0.251 nan 8.230 nan 0.000 0.439 696 T N -0.418 113.993 114.554 -0.237 0.000 2.746 696 T HA -0.234 4.100 4.350 -0.027 0.000 0.267 696 T C 1.782 176.414 174.700 -0.114 0.000 1.039 696 T CA 1.403 63.373 62.100 -0.215 0.000 1.142 696 T CB -0.108 68.582 68.868 -0.298 0.000 0.866 696 T HN 0.417 nan 8.240 nan 0.000 0.444 697 Q N 0.581 120.323 119.800 -0.097 0.000 2.050 697 Q HA -0.045 4.279 4.340 -0.027 0.000 0.202 697 Q C 2.795 178.766 176.000 -0.047 0.000 0.980 697 Q CA 1.446 57.212 55.803 -0.062 0.000 0.840 697 Q CB -0.388 28.320 28.738 -0.051 0.000 0.898 697 Q HN 0.556 nan 8.270 nan 0.000 0.424 698 A N 1.483 124.276 122.820 -0.044 0.000 1.859 698 A HA -0.300 4.004 4.320 -0.027 0.000 0.217 698 A C 2.038 179.605 177.584 -0.029 0.000 1.198 698 A CA 1.894 53.914 52.037 -0.029 0.000 0.629 698 A CB -0.787 18.202 19.000 -0.019 0.000 0.830 698 A HN 0.314 nan 8.150 nan 0.000 0.446 699 R N -0.378 120.105 120.500 -0.029 0.000 2.133 699 R HA -0.254 4.070 4.340 -0.027 0.000 0.245 699 R C 1.964 178.246 176.300 -0.030 0.000 1.137 699 R CA 2.233 58.320 56.100 -0.022 0.000 0.947 699 R CB -0.484 29.802 30.300 -0.023 0.000 0.865 699 R HN 0.597 nan 8.270 nan 0.000 0.437 700 N N 0.581 119.261 118.700 -0.034 0.000 2.069 700 N HA -0.247 4.477 4.740 -0.027 0.000 0.191 700 N C 1.717 177.210 175.510 -0.029 0.000 1.031 700 N CA 1.555 54.588 53.050 -0.028 0.000 0.852 700 N CB -0.486 37.983 38.487 -0.030 0.000 1.018 700 N HN 0.452 nan 8.380 nan 0.000 0.423 701 Q N 0.489 120.269 119.800 -0.033 0.000 2.084 701 Q HA -0.071 4.253 4.340 -0.027 0.000 0.202 701 Q C 2.157 178.130 176.000 -0.046 0.000 0.978 701 Q CA 0.802 56.585 55.803 -0.033 0.000 0.844 701 Q CB -0.116 28.603 28.738 -0.031 0.000 0.898 701 Q HN 0.372 nan 8.270 nan 0.000 0.426 702 L N 0.411 121.596 121.223 -0.063 0.000 1.976 702 L HA -0.221 4.103 4.340 -0.027 0.000 0.209 702 L C 2.462 179.273 176.870 -0.099 0.000 1.071 702 L CA 1.254 56.030 54.840 -0.107 0.000 0.746 702 L CB -0.334 41.641 42.059 -0.141 0.000 0.890 702 L HN 0.364 nan 8.230 nan 0.000 0.432 703 L N -0.247 120.933 121.223 -0.072 0.000 2.129 703 L HA -0.228 4.096 4.340 -0.027 0.000 0.212 703 L C 2.575 179.433 176.870 -0.020 0.000 1.087 703 L CA 1.472 56.285 54.840 -0.045 0.000 0.757 703 L CB -0.343 41.702 42.059 -0.023 0.000 0.896 703 L HN 0.361 nan 8.230 nan 0.000 0.434 704 A N -1.177 121.631 122.820 -0.019 0.000 2.014 704 A HA -0.167 4.137 4.320 -0.027 0.000 0.218 704 A C 2.094 179.682 177.584 0.006 0.000 1.163 704 A CA 1.429 53.463 52.037 -0.004 0.000 0.652 704 A CB -0.272 18.723 19.000 -0.008 0.000 0.808 704 A HN 0.487 nan 8.150 nan 0.000 0.449 705 E N -0.543 119.654 120.200 -0.006 0.000 2.385 705 E HA 0.194 4.528 4.350 -0.027 0.000 0.194 705 E C 2.069 178.704 176.600 0.059 0.000 1.013 705 E CA 0.518 56.933 56.400 0.025 0.000 0.866 705 E CB -0.057 29.636 29.700 -0.011 0.000 0.832 705 E HN 0.587 nan 8.360 nan 0.000 0.500 706 A N 1.200 124.016 122.820 -0.008 0.000 1.898 706 A HA -0.068 4.236 4.320 -0.027 0.000 0.216 706 A C 2.328 179.958 177.584 0.078 0.000 1.181 706 A CA 1.517 53.552 52.037 -0.004 0.000 0.620 706 A CB -0.524 18.451 19.000 -0.043 0.000 0.819 706 A HN 0.285 nan 8.150 nan 0.000 0.442 707 A N -0.586 122.270 122.820 0.061 0.000 2.121 707 A HA -0.042 4.262 4.320 -0.027 0.000 0.218 707 A C 1.848 179.465 177.584 0.056 0.000 1.154 707 A CA 1.268 53.341 52.037 0.060 0.000 0.679 707 A CB -0.312 18.715 19.000 0.044 0.000 0.795 707 A HN 0.465 nan 8.150 nan 0.000 0.458 708 K N -0.369 120.077 120.400 0.077 0.000 2.522 708 K HA 0.024 4.328 4.320 -0.027 0.000 0.194 708 K C -0.699 175.828 176.600 -0.121 0.000 1.026 708 K CA 0.278 56.567 56.287 0.004 0.000 1.119 708 K CB -0.099 32.403 32.500 0.004 0.000 0.856 708 K HN 0.611 nan 8.250 nan 0.000 0.513 709 H N -0.346 118.715 119.070 -0.015 0.000 2.429 709 H HA 0.116 4.657 4.556 -0.026 0.000 0.231 709 H C -2.116 173.213 175.328 0.000 0.000 1.416 709 H CA -1.544 54.496 56.048 -0.013 0.000 1.443 709 H CB 0.887 30.633 29.762 -0.027 0.000 1.591 709 H HN 0.018 nan 8.280 nan 0.000 0.507 710 P HA -0.026 nan 4.420 nan 0.000 0.249 710 P C 0.518 177.848 177.300 0.050 0.000 1.229 710 P CA 0.496 63.630 63.100 0.057 0.000 0.788 710 P CB 0.567 32.288 31.700 0.034 0.000 1.072 711 D N -2.011 118.418 120.400 0.048 0.000 2.348 711 D HA 0.008 4.632 4.640 -0.027 0.000 0.211 711 D C 1.419 177.751 176.300 0.052 0.000 0.998 711 D CA 0.489 54.512 54.000 0.039 0.000 0.873 711 D CB -0.140 40.673 40.800 0.021 0.000 0.925 711 D HN 0.079 nan 8.370 nan 0.000 0.524 712 M N -0.498 119.147 119.600 0.076 0.000 2.879 712 M HA 0.201 4.665 4.480 -0.027 0.000 0.241 712 M C -0.306 176.039 176.300 0.076 0.000 1.523 712 M CA 0.179 55.518 55.300 0.065 0.000 1.195 712 M CB 0.602 33.236 32.600 0.057 0.000 1.277 712 M HN -0.076 nan 8.290 nan 0.000 0.557 713 L N 0.814 122.092 121.223 0.091 0.000 2.317 713 L HA 0.475 4.799 4.340 -0.027 0.000 0.281 713 L C -0.255 176.673 176.870 0.097 0.000 1.024 713 L CA 0.014 54.925 54.840 0.118 0.000 0.810 713 L CB 1.649 43.778 42.059 0.117 0.000 1.240 713 L HN 0.143 nan 8.230 nan 0.000 0.427 714 T N -0.560 114.045 114.554 0.085 0.000 2.906 714 T HA 0.443 4.777 4.350 -0.027 0.000 0.295 714 T C 0.211 174.918 174.700 0.012 0.000 1.061 714 T CA -0.841 61.297 62.100 0.063 0.000 1.000 714 T CB 1.509 70.415 68.868 0.064 0.000 1.103 714 T HN 0.432 nan 8.240 nan 0.000 0.486 715 S N 0.157 115.888 115.700 0.051 0.000 3.549 715 S HA -0.126 4.328 4.470 -0.027 0.000 0.366 715 S C 0.349 174.743 174.600 -0.344 0.000 1.012 715 S CA 0.073 58.221 58.200 -0.086 0.000 1.141 715 S CB -1.588 61.557 63.200 -0.091 0.000 0.910 715 S HN 0.706 nan 8.310 nan 0.000 0.471 716 V N 3.424 123.248 119.914 -0.151 0.000 2.415 716 V HA 0.345 4.449 4.120 -0.027 0.000 0.267 716 V C 0.809 176.797 176.094 -0.178 0.000 1.042 716 V CA 0.138 62.359 62.300 -0.132 0.000 1.000 716 V CB 0.073 31.913 31.823 0.029 0.000 1.015 716 V HN 0.577 nan 8.190 nan 0.000 0.478 717 R N 5.792 126.129 120.500 -0.272 0.000 2.651 717 R HA 0.598 4.922 4.340 -0.027 0.000 0.278 717 R C -3.316 172.903 176.300 -0.134 0.000 1.010 717 R CA -2.047 53.914 56.100 -0.232 0.000 0.896 717 R CB 2.372 32.370 30.300 -0.503 0.000 1.211 717 R HN 0.331 nan 8.270 nan 0.000 0.456 718 P HA 0.039 nan 4.420 nan 0.000 0.271 718 P C -0.765 176.517 177.300 -0.030 0.000 1.218 718 P CA -0.350 62.739 63.100 -0.019 0.000 0.780 718 P CB 0.552 32.260 31.700 0.012 0.000 0.901 719 N N 0.688 119.376 118.700 -0.020 0.000 3.271 719 N HA 0.428 5.152 4.740 -0.027 0.000 0.303 719 N C -0.250 175.271 175.510 0.019 0.000 1.415 719 N CA -0.153 52.888 53.050 -0.015 0.000 1.159 719 N CB -0.324 38.143 38.487 -0.033 0.000 1.432 719 N HN 0.628 nan 8.380 nan 0.000 0.521 720 G N -0.312 108.506 108.800 0.030 0.000 2.489 720 G HA2 0.355 4.298 3.960 -0.027 0.000 0.305 720 G HA3 0.355 4.298 3.960 -0.027 0.000 0.305 720 G C -2.038 172.893 174.900 0.052 0.000 1.311 720 G CA -0.601 44.526 45.100 0.045 0.000 0.813 720 G HN 0.103 nan 8.290 nan 0.000 0.480 721 L N 0.478 121.737 121.223 0.061 0.000 2.334 721 L HA 0.660 4.984 4.340 -0.027 0.000 0.275 721 L C 0.277 177.194 176.870 0.078 0.000 1.036 721 L CA -1.017 53.861 54.840 0.063 0.000 0.807 721 L CB 1.320 43.413 42.059 0.058 0.000 1.231 721 L HN 0.533 nan 8.230 nan 0.000 0.438 722 E N 0.668 120.911 120.200 0.071 0.000 2.345 722 E HA 0.176 4.510 4.350 -0.027 0.000 0.259 722 E C -0.848 175.808 176.600 0.094 0.000 1.117 722 E CA -0.437 56.010 56.400 0.078 0.000 0.913 722 E CB 0.424 30.158 29.700 0.055 0.000 1.057 722 E HN 0.304 nan 8.360 nan 0.000 0.432 723 D N 0.749 121.217 120.400 0.113 0.000 2.458 723 D HA 0.093 4.717 4.640 -0.027 0.000 0.243 723 D C -0.331 176.049 176.300 0.134 0.000 1.146 723 D CA 0.303 54.384 54.000 0.135 0.000 0.877 723 D CB 0.352 41.245 40.800 0.155 0.000 1.176 723 D HN 0.305 nan 8.370 nan 0.000 0.461 724 T N -0.194 114.447 114.554 0.145 0.000 2.895 724 T HA 0.637 4.971 4.350 -0.027 0.000 0.283 724 T C -2.608 172.215 174.700 0.204 0.000 1.014 724 T CA -2.205 59.983 62.100 0.147 0.000 1.037 724 T CB 1.701 70.636 68.868 0.112 0.000 1.006 724 T HN -0.035 nan 8.240 nan 0.000 0.468 725 P HA 0.346 nan 4.420 nan 0.000 0.272 725 P C -0.853 176.589 177.300 0.237 0.000 1.223 725 P CA -0.448 62.741 63.100 0.148 0.000 0.784 725 P CB 0.387 32.086 31.700 -0.000 0.000 0.923 726 Q N 0.718 120.680 119.800 0.271 0.000 2.347 726 Q HA 0.468 4.792 4.340 -0.027 0.000 0.271 726 Q C -1.427 174.706 176.000 0.220 0.000 1.064 726 Q CA -0.594 55.349 55.803 0.233 0.000 0.800 726 Q CB 1.935 30.722 28.738 0.082 0.000 1.304 726 Q HN 0.337 nan 8.270 nan 0.000 0.438 727 F N 2.777 122.640 119.950 -0.146 0.000 2.375 727 F HA 0.340 4.851 4.527 -0.027 0.000 0.362 727 F C -0.295 175.269 175.800 -0.393 0.000 1.129 727 F CA -0.608 57.045 58.000 -0.579 0.000 1.154 727 F CB 0.516 39.085 39.000 -0.719 0.000 1.205 727 F HN 0.224 nan 8.300 nan 0.000 0.513 728 K N 6.994 126.951 120.400 -0.738 0.000 2.253 728 K HA 0.472 4.776 4.320 -0.027 0.000 0.277 728 K C -1.101 175.108 176.600 -0.652 0.000 1.053 728 K CA -0.138 55.838 56.287 -0.517 0.000 0.892 728 K CB 0.394 32.693 32.500 -0.335 0.000 1.102 728 K HN 0.670 nan 8.250 nan 0.000 0.469 729 I N 3.989 124.299 120.570 -0.433 0.000 2.321 729 I HA 0.185 4.339 4.170 -0.027 0.000 0.291 729 I C -0.458 175.557 176.117 -0.170 0.000 0.998 729 I CA -0.605 60.505 61.300 -0.316 0.000 1.227 729 I CB 1.479 39.357 38.000 -0.203 0.000 1.368 729 I HN 0.559 nan 8.210 nan 0.000 0.466 730 D N 8.452 128.770 120.400 -0.137 0.000 2.499 730 D HA 0.248 4.872 4.640 -0.027 0.000 0.225 730 D C 0.188 176.489 176.300 0.001 0.000 1.124 730 D CA -0.296 53.662 54.000 -0.069 0.000 0.938 730 D CB 0.829 41.582 40.800 -0.078 0.000 1.014 730 D HN 0.378 nan 8.370 nan 0.000 0.517 731 I N -0.588 120.005 120.570 0.039 0.000 2.691 731 I HA 0.003 4.157 4.170 -0.027 0.000 0.288 731 I C 0.632 176.786 176.117 0.061 0.000 1.143 731 I CA -0.265 61.099 61.300 0.107 0.000 1.364 731 I CB -0.080 37.975 38.000 0.092 0.000 1.435 731 I HN -0.080 nan 8.210 nan 0.000 0.551 732 D N 6.734 127.190 120.400 0.093 0.000 2.348 732 D HA -0.005 4.619 4.640 -0.027 0.000 0.259 732 D C 1.115 177.427 176.300 0.020 0.000 1.296 732 D CA 0.088 54.120 54.000 0.052 0.000 0.931 732 D CB 0.932 41.772 40.800 0.066 0.000 1.067 732 D HN 0.562 nan 8.370 nan 0.000 0.503 733 Q N 2.856 122.648 119.800 -0.014 0.000 2.135 733 Q HA -0.224 4.100 4.340 -0.027 0.000 0.204 733 Q C 1.449 177.428 176.000 -0.035 0.000 0.981 733 Q CA 1.170 56.947 55.803 -0.044 0.000 0.856 733 Q CB -0.020 28.696 28.738 -0.037 0.000 0.902 733 Q HN 0.597 nan 8.270 nan 0.000 0.425 734 E N 1.617 121.810 120.200 -0.012 0.000 2.038 734 E HA -0.177 4.157 4.350 -0.027 0.000 0.195 734 E C 1.683 178.285 176.600 0.002 0.000 1.000 734 E CA 1.516 57.913 56.400 -0.005 0.000 0.803 734 E CB 0.090 29.791 29.700 0.002 0.000 0.750 734 E HN 0.210 nan 8.360 nan 0.000 0.448 735 K N -0.452 119.963 120.400 0.025 0.000 2.365 735 K HA 0.039 4.343 4.320 -0.027 0.000 0.199 735 K C 1.967 178.595 176.600 0.047 0.000 1.045 735 K CA 0.614 56.933 56.287 0.053 0.000 0.962 735 K CB 0.078 32.634 32.500 0.093 0.000 0.759 735 K HN 0.183 nan 8.250 nan 0.000 0.469 736 A N 1.430 124.236 122.820 -0.023 0.000 1.897 736 A HA -0.174 4.130 4.320 -0.027 0.000 0.215 736 A C 2.023 179.529 177.584 -0.131 0.000 1.181 736 A CA 1.098 53.032 52.037 -0.172 0.000 0.620 736 A CB -0.252 18.560 19.000 -0.313 0.000 0.821 736 A HN 0.241 nan 8.150 nan 0.000 0.443 737 Q N -0.692 119.059 119.800 -0.082 0.000 2.079 737 Q HA -0.056 4.268 4.340 -0.027 0.000 0.200 737 Q C 2.416 178.397 176.000 -0.032 0.000 0.974 737 Q CA 1.148 56.916 55.803 -0.059 0.000 0.840 737 Q CB -0.367 28.345 28.738 -0.043 0.000 0.898 737 Q HN 0.665 nan 8.270 nan 0.000 0.430 738 A N 0.793 123.604 122.820 -0.014 0.000 1.986 738 A HA -0.172 4.132 4.320 -0.027 0.000 0.220 738 A C 1.884 179.474 177.584 0.010 0.000 1.171 738 A CA 1.265 53.303 52.037 0.003 0.000 0.640 738 A CB -0.490 18.518 19.000 0.014 0.000 0.811 738 A HN 0.310 nan 8.150 nan 0.000 0.451 739 L N -2.044 119.188 121.223 0.015 0.000 2.567 739 L HA 0.250 4.574 4.340 -0.027 0.000 0.225 739 L C 1.847 178.721 176.870 0.008 0.000 1.119 739 L CA 0.580 55.438 54.840 0.031 0.000 0.871 739 L CB 0.087 42.194 42.059 0.080 0.000 1.036 739 L HN 0.586 nan 8.230 nan 0.000 0.459 740 G N -0.035 108.753 108.800 -0.019 0.000 2.258 740 G HA2 -0.290 3.654 3.960 -0.027 0.000 0.233 740 G HA3 -0.290 3.654 3.960 -0.027 0.000 0.233 740 G C 0.505 175.373 174.900 -0.053 0.000 1.006 740 G CA 0.087 45.171 45.100 -0.027 0.000 0.620 740 G HN 0.225 nan 8.290 nan 0.000 0.511 741 V N 0.562 120.425 119.914 -0.086 0.000 2.763 741 V HA 0.640 4.744 4.120 -0.027 0.000 0.306 741 V C 0.945 176.941 176.094 -0.164 0.000 1.059 741 V CA 0.493 62.710 62.300 -0.138 0.000 1.138 741 V CB 1.340 33.016 31.823 -0.245 0.000 0.940 741 V HN 1.327 nan 8.190 nan 0.000 0.489 742 S N 2.839 118.460 115.700 -0.133 0.000 2.576 742 S HA 0.352 4.806 4.470 -0.027 0.000 0.276 742 S C 0.826 175.329 174.600 -0.163 0.000 1.339 742 S CA -0.264 57.866 58.200 -0.116 0.000 1.039 742 S CB 0.418 63.575 63.200 -0.071 0.000 0.902 742 S HN 0.685 nan 8.310 nan 0.000 0.516 743 I N 4.031 124.521 120.570 -0.134 0.000 2.439 743 I HA -0.027 4.127 4.170 -0.027 0.000 0.251 743 I C 2.167 178.227 176.117 -0.095 0.000 1.139 743 I CA 0.762 61.980 61.300 -0.137 0.000 1.438 743 I CB -0.482 37.461 38.000 -0.096 0.000 1.085 743 I HN 0.513 nan 8.210 nan 0.000 0.427 744 N N 0.733 119.394 118.700 -0.065 0.000 2.270 744 N HA -0.130 4.594 4.740 -0.027 0.000 0.181 744 N C 1.430 176.924 175.510 -0.027 0.000 1.016 744 N CA 1.098 54.127 53.050 -0.035 0.000 0.870 744 N CB -0.225 38.249 38.487 -0.023 0.000 0.979 744 N HN 0.338 nan 8.380 nan 0.000 0.431 745 D N 0.903 121.275 120.400 -0.046 0.000 2.117 745 D HA -0.087 4.537 4.640 -0.027 0.000 0.198 745 D C 2.052 178.339 176.300 -0.022 0.000 0.982 745 D CA 0.647 54.632 54.000 -0.025 0.000 0.828 745 D CB -0.136 40.644 40.800 -0.033 0.000 0.967 745 D HN 0.427 nan 8.370 nan 0.000 0.464 746 I N -0.470 120.032 120.570 -0.114 0.000 2.315 746 I HA -0.149 4.005 4.170 -0.027 0.000 0.248 746 I C 1.719 177.872 176.117 0.059 0.000 1.117 746 I CA 1.222 62.442 61.300 -0.134 0.000 1.404 746 I CB -0.516 37.208 38.000 -0.460 0.000 1.071 746 I HN -0.232 nan 8.210 nan 0.000 0.419 747 N N 1.220 119.934 118.700 0.024 0.000 2.039 747 N HA -0.176 4.548 4.740 -0.027 0.000 0.193 747 N C 2.119 177.680 175.510 0.086 0.000 1.044 747 N CA 2.698 55.785 53.050 0.062 0.000 0.847 747 N CB -0.898 37.604 38.487 0.025 0.000 1.030 747 N HN 0.695 nan 8.380 nan 0.000 0.422 748 T N -1.611 112.982 114.554 0.065 0.000 3.072 748 T HA -0.043 4.291 4.350 -0.027 0.000 0.266 748 T C 1.815 176.560 174.700 0.075 0.000 1.127 748 T CA 1.577 63.714 62.100 0.063 0.000 1.107 748 T CB -0.532 68.362 68.868 0.044 0.000 0.910 748 T HN 0.354 nan 8.240 nan 0.000 0.513 749 T N 0.880 115.505 114.554 0.119 0.000 2.770 749 T HA 0.031 4.365 4.350 -0.027 0.000 0.258 749 T C 1.826 176.563 174.700 0.061 0.000 1.039 749 T CA 0.949 63.128 62.100 0.132 0.000 1.143 749 T CB -0.811 68.228 68.868 0.286 0.000 0.866 749 T HN 0.278 nan 8.240 nan 0.000 0.428 750 L N 2.520 123.869 121.223 0.210 0.000 1.989 750 L HA 0.155 4.479 4.340 -0.027 0.000 0.211 750 L C 2.700 179.636 176.870 0.110 0.000 1.071 750 L CA 2.397 57.301 54.840 0.107 0.000 0.749 750 L CB -1.328 40.815 42.059 0.140 0.000 0.890 750 L HN 0.378 nan 8.230 nan 0.000 0.431 751 G N -1.079 107.774 108.800 0.089 0.000 2.459 751 G HA2 -0.290 3.654 3.960 -0.027 0.000 0.217 751 G HA3 -0.290 3.654 3.960 -0.027 0.000 0.217 751 G C 1.559 176.508 174.900 0.082 0.000 1.183 751 G CA 1.002 46.154 45.100 0.087 0.000 0.776 751 G HN 0.694 nan 8.290 nan 0.000 0.552 752 A N 0.709 123.553 122.820 0.040 0.000 1.968 752 A HA 0.442 4.746 4.320 -0.027 0.000 0.217 752 A C 2.737 180.294 177.584 -0.045 0.000 1.169 752 A CA 1.925 53.976 52.037 0.023 0.000 0.638 752 A CB -0.525 18.486 19.000 0.020 0.000 0.812 752 A HN 0.709 nan 8.150 nan 0.000 0.446 753 A N -1.136 121.564 122.820 -0.199 0.000 1.854 753 A HA -0.041 4.263 4.320 -0.027 0.000 0.214 753 A C 1.933 179.345 177.584 -0.287 0.000 1.192 753 A CA 1.362 53.118 52.037 -0.469 0.000 0.611 753 A CB -0.717 17.472 19.000 -1.351 0.000 0.832 753 A HN 0.699 nan 8.150 nan 0.000 0.442 754 W N -0.907 120.279 121.300 -0.190 0.000 2.525 754 W HA 0.244 4.888 4.660 -0.027 0.000 0.288 754 W C 2.463 178.981 176.519 -0.003 0.000 1.200 754 W CA 0.844 58.143 57.345 -0.078 0.000 1.349 754 W CB -0.535 28.861 29.460 -0.106 0.000 1.102 754 W HN 0.331 nan 8.180 nan 0.000 0.558 755 G N -0.638 108.295 108.800 0.221 0.000 2.662 755 G HA2 0.400 4.344 3.960 -0.027 0.000 0.212 755 G HA3 0.400 4.344 3.960 -0.027 0.000 0.212 755 G C 0.663 175.649 174.900 0.143 0.000 1.141 755 G CA 0.444 45.644 45.100 0.166 0.000 0.797 755 G HN 0.457 nan 8.290 nan 0.000 0.531 756 G N -1.221 107.657 108.800 0.129 0.000 2.712 756 G HA2 0.207 4.151 3.960 -0.027 0.000 0.686 756 G HA3 0.207 4.151 3.960 -0.027 0.000 0.686 756 G C -0.498 174.518 174.900 0.193 0.000 1.321 756 G CA -0.011 45.176 45.100 0.145 0.000 0.813 756 G HN 0.987 nan 8.290 nan 0.000 0.599 757 S N -0.550 115.281 115.700 0.219 0.000 2.536 757 S HA 0.625 5.079 4.470 -0.027 0.000 0.287 757 S C -0.904 173.820 174.600 0.208 0.000 1.101 757 S CA -0.548 57.771 58.200 0.198 0.000 0.950 757 S CB 1.290 64.548 63.200 0.097 0.000 1.056 757 S HN 1.627 nan 8.310 nan 0.000 0.481 758 Y N 5.913 126.177 120.300 -0.059 0.000 2.454 758 Y HA 0.450 4.984 4.550 -0.027 0.000 0.345 758 Y C 0.490 176.262 175.900 -0.215 0.000 0.970 758 Y CA -0.648 57.207 58.100 -0.409 0.000 1.204 758 Y CB 0.050 38.242 38.460 -0.446 0.000 1.122 758 Y HN 0.398 nan 8.280 nan 0.000 0.514 759 V N 5.135 124.929 119.914 -0.199 0.000 2.331 759 V HA -0.007 4.097 4.120 -0.027 0.000 0.242 759 V C 0.356 176.248 176.094 -0.337 0.000 1.034 759 V CA 1.771 63.946 62.300 -0.209 0.000 1.027 759 V CB -0.594 31.192 31.823 -0.062 0.000 0.667 759 V HN 0.866 nan 8.190 nan 0.000 0.457 760 N N -1.671 116.875 118.700 -0.257 0.000 3.465 760 N HA 0.147 4.871 4.740 -0.027 0.000 0.332 760 N C -1.988 173.612 175.510 0.149 0.000 1.492 760 N CA -0.636 52.308 53.050 -0.177 0.000 0.867 760 N CB 0.578 39.023 38.487 -0.070 0.000 1.899 760 N HN -0.006 nan 8.380 nan 0.000 0.502 761 D N -0.692 119.817 120.400 0.183 0.000 2.272 761 D HA 0.659 5.283 4.640 -0.027 0.000 0.247 761 D C -0.690 175.831 176.300 0.368 0.000 0.990 761 D CA -0.135 54.036 54.000 0.284 0.000 0.931 761 D CB 1.527 42.435 40.800 0.179 0.000 1.195 761 D HN 0.488 nan 8.370 nan 0.000 0.477 762 F N -1.428 118.610 119.950 0.146 0.000 2.706 762 F HA 0.699 5.210 4.527 -0.026 0.000 0.328 762 F C -1.264 174.604 175.800 0.112 0.000 1.123 762 F CA -1.170 56.936 58.000 0.177 0.000 0.978 762 F CB 1.067 40.273 39.000 0.343 0.000 1.404 762 F HN 0.083 nan 8.300 nan 0.000 0.497 763 I N 1.687 122.095 120.570 -0.271 0.000 2.390 763 I HA 0.225 4.379 4.170 -0.027 0.000 0.283 763 I C -1.429 174.433 176.117 -0.426 0.000 1.016 763 I CA -0.236 60.849 61.300 -0.358 0.000 1.151 763 I CB 1.217 39.154 38.000 -0.106 0.000 1.293 763 I HN 0.561 nan 8.210 nan 0.000 0.458 764 D N 5.860 125.873 120.400 -0.645 0.000 2.317 764 D HA 0.340 4.964 4.640 -0.027 0.000 0.234 764 D C 0.551 176.779 176.300 -0.120 0.000 1.112 764 D CA -0.238 53.586 54.000 -0.293 0.000 0.840 764 D CB 0.576 41.218 40.800 -0.263 0.000 1.078 764 D HN 0.380 nan 8.370 nan 0.000 0.486 765 R N 2.925 123.409 120.500 -0.027 0.000 3.847 765 R HA -0.249 4.075 4.340 -0.027 0.000 0.304 765 R C 1.005 177.282 176.300 -0.038 0.000 1.203 765 R CA 0.796 56.891 56.100 -0.009 0.000 0.835 765 R CB -1.639 28.671 30.300 0.017 0.000 1.253 765 R HN 0.862 nan 8.270 nan 0.000 0.516 766 G N -0.293 108.469 108.800 -0.062 0.000 2.184 766 G HA2 -0.315 3.629 3.960 -0.027 0.000 0.206 766 G HA3 -0.315 3.629 3.960 -0.027 0.000 0.206 766 G C -0.031 174.818 174.900 -0.085 0.000 0.995 766 G CA 0.120 45.183 45.100 -0.062 0.000 0.651 766 G HN 0.417 nan 8.290 nan 0.000 0.511 767 R N 0.317 120.745 120.500 -0.120 0.000 2.534 767 R HA 0.624 4.948 4.340 -0.027 0.000 0.301 767 R C 0.001 176.187 176.300 -0.190 0.000 0.961 767 R CA -0.480 55.542 56.100 -0.129 0.000 0.871 767 R CB 1.905 32.135 30.300 -0.117 0.000 1.170 767 R HN 0.483 nan 8.270 nan 0.000 0.446 768 V N 5.158 124.986 119.914 -0.144 0.000 2.485 768 V HA 0.216 4.320 4.120 -0.027 0.000 0.287 768 V C -0.696 175.313 176.094 -0.142 0.000 1.022 768 V CA 0.693 62.905 62.300 -0.147 0.000 1.067 768 V CB 0.350 32.137 31.823 -0.060 0.000 0.967 768 V HN 0.841 nan 8.190 nan 0.000 0.479 769 K N 5.085 125.359 120.400 -0.211 0.000 2.261 769 K HA 0.617 4.921 4.320 -0.027 0.000 0.242 769 K C -0.841 175.852 176.600 0.156 0.000 1.083 769 K CA -1.117 55.137 56.287 -0.055 0.000 0.880 769 K CB 1.780 34.247 32.500 -0.056 0.000 1.353 769 K HN 0.574 nan 8.250 nan 0.000 0.486 770 K N 0.777 121.297 120.400 0.200 0.000 2.087 770 K HA 0.420 4.724 4.320 -0.027 0.000 0.255 770 K C -0.690 176.050 176.600 0.232 0.000 0.988 770 K CA -0.700 55.667 56.287 0.133 0.000 0.915 770 K CB 1.367 33.690 32.500 -0.295 0.000 1.043 770 K HN 0.148 nan 8.250 nan 0.000 0.457 771 V N 2.565 122.549 119.914 0.116 0.000 2.407 771 V HA 0.277 4.381 4.120 -0.027 0.000 0.291 771 V C -1.243 174.771 176.094 -0.133 0.000 1.018 771 V CA -0.872 61.382 62.300 -0.076 0.000 0.842 771 V CB 0.437 32.242 31.823 -0.030 0.000 0.996 771 V HN 0.574 nan 8.190 nan 0.000 0.426 772 Y N 2.696 122.934 120.300 -0.103 0.000 2.409 772 Y HA 0.682 5.216 4.550 -0.027 0.000 0.339 772 Y C 0.001 175.787 175.900 -0.190 0.000 1.033 772 Y CA -0.729 57.318 58.100 -0.087 0.000 1.094 772 Y CB 2.255 40.636 38.460 -0.131 0.000 1.210 772 Y HN 0.405 nan 8.280 nan 0.000 0.456 773 V N 5.885 125.832 119.914 0.055 0.000 2.444 773 V HA 0.668 4.772 4.120 -0.027 0.000 0.294 773 V C -0.892 175.203 176.094 0.000 0.000 1.022 773 V CA -0.481 61.803 62.300 -0.027 0.000 0.850 773 V CB 1.329 33.154 31.823 0.004 0.000 0.992 773 V HN 0.895 nan 8.190 nan 0.000 0.426 774 M N 4.868 124.437 119.600 -0.052 0.000 2.644 774 M HA 0.529 4.993 4.480 -0.027 0.000 0.273 774 M C -0.421 176.000 176.300 0.202 0.000 1.253 774 M CA -0.297 55.034 55.300 0.051 0.000 0.852 774 M CB 2.372 35.014 32.600 0.070 0.000 1.708 774 M HN 0.616 nan 8.290 nan 0.000 0.471 775 S N 1.075 116.897 115.700 0.204 0.000 2.573 775 S HA 0.149 4.603 4.470 -0.027 0.000 0.277 775 S C -0.358 174.516 174.600 0.456 0.000 1.346 775 S CA -0.075 58.342 58.200 0.360 0.000 1.034 775 S CB 0.340 63.713 63.200 0.289 0.000 0.879 775 S HN 0.719 nan 8.310 nan 0.000 0.528 776 E N 1.842 122.309 120.200 0.445 0.000 2.413 776 E HA 0.164 4.498 4.350 -0.027 0.000 0.263 776 E C 1.448 178.065 176.600 0.029 0.000 1.015 776 E CA 0.208 56.745 56.400 0.228 0.000 0.916 776 E CB 0.444 30.310 29.700 0.276 0.000 0.947 776 E HN 0.753 nan 8.360 nan 0.000 0.440 777 A N 4.811 127.496 122.820 -0.224 0.000 1.915 777 A HA -0.323 3.981 4.320 -0.027 0.000 0.220 777 A C 1.814 179.238 177.584 -0.267 0.000 1.198 777 A CA 2.403 54.285 52.037 -0.257 0.000 0.647 777 A CB -0.627 18.168 19.000 -0.341 0.000 0.825 777 A HN 0.747 nan 8.150 nan 0.000 0.456 778 K N -1.750 118.411 120.400 -0.400 0.000 2.515 778 K HA -0.092 4.212 4.320 -0.027 0.000 0.196 778 K C 0.321 176.505 176.600 -0.694 0.000 1.038 778 K CA 1.397 57.337 56.287 -0.580 0.000 0.967 778 K CB -0.365 31.709 32.500 -0.710 0.000 0.780 778 K HN 0.656 nan 8.250 nan 0.000 0.483 779 Y N 1.483 121.697 120.300 -0.143 0.000 2.660 779 Y HA 0.273 4.807 4.550 -0.027 0.000 0.254 779 Y C 0.038 175.761 175.900 -0.294 0.000 1.176 779 Y CA -0.977 57.030 58.100 -0.154 0.000 1.195 779 Y CB 0.623 38.981 38.460 -0.170 0.000 1.190 779 Y HN 0.082 nan 8.280 nan 0.000 0.535 780 R N -1.345 118.921 120.500 -0.389 0.000 2.583 780 R HA 0.349 4.673 4.340 -0.027 0.000 0.329 780 R C -0.312 175.791 176.300 -0.328 0.000 1.166 780 R CA -0.047 55.444 56.100 -1.016 0.000 1.264 780 R CB -0.244 29.442 30.300 -1.023 0.000 1.324 780 R HN 0.102 nan 8.270 nan 0.000 0.684 781 M N 0.126 119.679 119.600 -0.077 0.000 2.379 781 M HA 0.383 4.847 4.480 -0.027 0.000 0.268 781 M C -0.022 176.353 176.300 0.124 0.000 1.185 781 M CA 0.430 55.755 55.300 0.043 0.000 1.121 781 M CB 0.435 33.009 32.600 -0.043 0.000 1.608 781 M HN 0.240 nan 8.290 nan 0.000 0.569 782 L N -0.540 120.780 121.223 0.161 0.000 2.350 782 L HA 0.360 4.684 4.340 -0.027 0.000 0.260 782 L C -1.664 175.230 176.870 0.040 0.000 1.015 782 L CA -1.861 53.028 54.840 0.082 0.000 0.821 782 L CB 1.867 43.955 42.059 0.049 0.000 1.370 782 L HN -0.209 nan 8.230 nan 0.000 0.416 783 P HA -0.203 nan 4.420 nan 0.000 0.218 783 P C 0.519 177.791 177.300 -0.047 0.000 1.154 783 P CA 1.391 64.296 63.100 -0.325 0.000 0.872 783 P CB 0.213 31.806 31.700 -0.178 0.000 0.790 784 D N -1.394 119.023 120.400 0.029 0.000 2.350 784 D HA -0.097 4.527 4.640 -0.027 0.000 0.216 784 D C 1.164 177.524 176.300 0.100 0.000 0.968 784 D CA 0.820 54.855 54.000 0.059 0.000 0.894 784 D CB -0.607 40.222 40.800 0.048 0.000 0.909 784 D HN 0.194 nan 8.370 nan 0.000 0.520 785 D N -0.029 120.479 120.400 0.179 0.000 2.317 785 D HA -0.039 4.585 4.640 -0.027 0.000 0.211 785 D C 2.114 178.666 176.300 0.420 0.000 0.966 785 D CA -0.033 54.123 54.000 0.260 0.000 0.876 785 D CB 0.165 41.122 40.800 0.262 0.000 0.927 785 D HN 0.170 nan 8.370 nan 0.000 0.519 786 I N 1.147 121.943 120.570 0.378 0.000 2.151 786 I HA -0.196 3.958 4.170 -0.027 0.000 0.243 786 I C 2.506 178.687 176.117 0.106 0.000 1.080 786 I CA 1.354 62.792 61.300 0.229 0.000 1.339 786 I CB -1.405 36.581 38.000 -0.024 0.000 1.039 786 I HN 0.037 nan 8.210 nan 0.000 0.409 787 G N 0.865 109.696 108.800 0.052 0.000 2.469 787 G HA2 -0.281 3.663 3.960 -0.027 0.000 0.220 787 G HA3 -0.281 3.663 3.960 -0.027 0.000 0.220 787 G C 1.212 176.014 174.900 -0.162 0.000 1.136 787 G CA 0.976 46.054 45.100 -0.037 0.000 0.759 787 G HN 0.361 nan 8.290 nan 0.000 0.562 788 D N -0.085 120.246 120.400 -0.115 0.000 2.221 788 D HA -0.058 4.566 4.640 -0.027 0.000 0.204 788 D C 0.575 176.598 176.300 -0.461 0.000 0.982 788 D CA 0.478 54.314 54.000 -0.274 0.000 0.857 788 D CB -0.107 40.491 40.800 -0.336 0.000 0.934 788 D HN 0.499 nan 8.370 nan 0.000 0.475 789 W N -0.192 121.003 121.300 -0.175 0.000 2.316 789 W HA 0.400 5.044 4.660 -0.026 0.000 0.321 789 W C -0.218 176.268 176.519 -0.055 0.000 1.203 789 W CA -0.632 56.706 57.345 -0.012 0.000 1.214 789 W CB 0.479 29.966 29.460 0.044 0.000 1.169 789 W HN -0.216 nan 8.180 nan 0.000 0.561 790 Y N 0.866 121.504 120.300 0.564 0.000 2.499 790 Y HA 0.617 5.151 4.550 -0.027 0.000 0.347 790 Y C -0.247 175.874 175.900 0.367 0.000 0.987 790 Y CA -1.385 56.956 58.100 0.401 0.000 1.044 790 Y CB 1.512 40.098 38.460 0.210 0.000 1.245 790 Y HN -0.031 nan 8.280 nan 0.000 0.461 791 V N 2.749 122.898 119.914 0.391 0.000 2.555 791 V HA 0.478 4.582 4.120 -0.027 0.000 0.302 791 V C -0.386 175.815 176.094 0.179 0.000 1.038 791 V CA -1.177 61.260 62.300 0.227 0.000 0.887 791 V CB 1.825 33.681 31.823 0.056 0.000 0.991 791 V HN 0.678 nan 8.190 nan 0.000 0.434 792 R N 2.714 123.289 120.500 0.126 0.000 2.308 792 R HA 0.649 4.973 4.340 -0.027 0.000 0.305 792 R C 0.233 176.560 176.300 0.045 0.000 1.053 792 R CA 0.003 56.156 56.100 0.088 0.000 0.957 792 R CB 0.986 31.334 30.300 0.079 0.000 1.022 792 R HN 0.921 nan 8.270 nan 0.000 0.461 793 A N 3.223 126.068 122.820 0.041 0.000 2.267 793 A HA 0.424 4.728 4.320 -0.027 0.000 0.271 793 A C 1.031 178.620 177.584 0.007 0.000 1.131 793 A CA 0.286 52.332 52.037 0.014 0.000 0.818 793 A CB 0.165 19.180 19.000 0.025 0.000 1.118 793 A HN 0.945 nan 8.150 nan 0.000 0.501 794 A N -0.679 122.139 122.820 -0.004 0.000 2.066 794 A HA -0.064 4.240 4.320 -0.027 0.000 0.218 794 A C 1.521 179.107 177.584 0.004 0.000 1.157 794 A CA 1.918 53.953 52.037 -0.003 0.000 0.670 794 A CB -0.630 18.364 19.000 -0.011 0.000 0.804 794 A HN 0.873 nan 8.150 nan 0.000 0.453 795 D N -2.202 118.203 120.400 0.008 0.000 2.162 795 D HA 0.226 4.849 4.640 -0.027 0.000 0.205 795 D C 1.341 177.650 176.300 0.014 0.000 0.964 795 D CA 1.674 55.680 54.000 0.010 0.000 0.847 795 D CB -0.486 40.321 40.800 0.011 0.000 0.988 795 D HN 0.685 nan 8.370 nan 0.000 0.480 796 G N -0.056 108.755 108.800 0.019 0.000 2.672 796 G HA2 -0.154 3.790 3.960 -0.027 0.000 0.197 796 G HA3 -0.154 3.790 3.960 -0.027 0.000 0.197 796 G C 0.090 175.006 174.900 0.027 0.000 0.995 796 G CA 0.135 45.248 45.100 0.023 0.000 0.754 796 G HN 0.646 nan 8.290 nan 0.000 0.505 797 Q N 0.889 120.705 119.800 0.027 0.000 2.260 797 Q HA 0.780 5.104 4.340 -0.027 0.000 0.238 797 Q C -0.072 175.957 176.000 0.049 0.000 0.948 797 Q CA -0.679 55.140 55.803 0.027 0.000 0.895 797 Q CB 0.939 29.690 28.738 0.022 0.000 1.218 797 Q HN 0.102 nan 8.270 nan 0.000 0.470 798 M N 2.092 121.718 119.600 0.042 0.000 2.157 798 M HA 0.357 4.821 4.480 -0.027 0.000 0.354 798 M C -1.061 175.347 176.300 0.179 0.000 1.170 798 M CA -0.722 54.635 55.300 0.096 0.000 1.060 798 M CB 1.214 33.814 32.600 0.000 0.000 1.615 798 M HN 0.523 nan 8.290 nan 0.000 0.460 799 V N 6.261 126.339 119.914 0.272 0.000 2.448 799 V HA 0.479 4.583 4.120 -0.027 0.000 0.295 799 V C -2.039 174.263 176.094 0.347 0.000 1.025 799 V CA -1.462 61.016 62.300 0.295 0.000 0.859 799 V CB 1.811 33.801 31.823 0.277 0.000 0.988 799 V HN 0.650 nan 8.190 nan 0.000 0.431 800 P HA 0.292 nan 4.420 nan 0.000 0.276 800 P C 0.515 177.588 177.300 -0.379 0.000 1.252 800 P CA -0.303 62.780 63.100 -0.028 0.000 0.802 800 P CB 1.071 32.754 31.700 -0.028 0.000 1.035 801 F N 0.137 119.782 119.950 -0.509 0.000 2.325 801 F HA -0.153 4.358 4.527 -0.027 0.000 0.299 801 F C 2.570 177.920 175.800 -0.751 0.000 1.090 801 F CA 1.694 59.183 58.000 -0.852 0.000 1.392 801 F CB -0.612 38.223 39.000 -0.276 0.000 1.053 801 F HN 0.269 nan 8.300 nan 0.000 0.521 802 S N -0.133 115.426 115.700 -0.235 0.000 2.537 802 S HA -0.082 4.372 4.470 -0.027 0.000 0.240 802 S C 1.867 176.350 174.600 -0.196 0.000 0.981 802 S CA 0.647 58.751 58.200 -0.159 0.000 0.948 802 S CB -0.527 62.631 63.200 -0.069 0.000 0.759 802 S HN 0.283 nan 8.310 nan 0.000 0.531 803 A N 1.249 123.861 122.820 -0.348 0.000 1.984 803 A HA 0.421 4.725 4.320 -0.027 0.000 0.214 803 A C 1.438 178.963 177.584 -0.099 0.000 1.173 803 A CA 0.494 52.419 52.037 -0.187 0.000 0.673 803 A CB -0.369 18.577 19.000 -0.091 0.000 0.830 803 A HN 0.835 nan 8.150 nan 0.000 0.453 804 F N -1.166 118.777 119.950 -0.012 0.000 2.825 804 F HA 0.456 4.967 4.527 -0.027 0.000 0.322 804 F C 0.066 175.854 175.800 -0.019 0.000 1.127 804 F CA -0.114 57.867 58.000 -0.031 0.000 1.164 804 F CB 0.083 39.040 39.000 -0.071 0.000 1.101 804 F HN 0.070 nan 8.300 nan 0.000 0.529 805 S N -0.091 115.619 115.700 0.017 0.000 2.603 805 S HA 0.560 5.014 4.470 -0.027 0.000 0.274 805 S C -0.797 173.792 174.600 -0.018 0.000 1.168 805 S CA -0.504 57.734 58.200 0.064 0.000 0.963 805 S CB 1.452 64.751 63.200 0.165 0.000 1.078 805 S HN 0.264 nan 8.310 nan 0.000 0.477 806 S N 1.982 117.660 115.700 -0.036 0.000 2.669 806 S HA 0.876 5.330 4.470 -0.027 0.000 0.270 806 S C -0.241 174.259 174.600 -0.167 0.000 1.225 806 S CA -0.123 58.027 58.200 -0.083 0.000 0.991 806 S CB 0.582 63.736 63.200 -0.075 0.000 0.987 806 S HN 1.541 nan 8.310 nan 0.000 0.552 807 S N 1.856 117.411 115.700 -0.241 0.000 2.536 807 S HA 0.776 5.230 4.470 -0.027 0.000 0.271 807 S C -0.998 173.283 174.600 -0.532 0.000 1.134 807 S CA -1.195 56.703 58.200 -0.503 0.000 0.897 807 S CB 1.565 64.395 63.200 -0.616 0.000 1.094 807 S HN 1.031 nan 8.310 nan 0.000 0.473 808 R N -0.033 120.031 120.500 -0.727 0.000 2.752 808 R HA 0.624 4.948 4.340 -0.027 0.000 0.271 808 R C -1.964 173.958 176.300 -0.629 0.000 1.026 808 R CA -1.147 54.649 56.100 -0.507 0.000 0.901 808 R CB 0.792 30.944 30.300 -0.248 0.000 1.243 808 R HN 0.606 nan 8.270 nan 0.000 0.463 809 W N 0.554 121.727 121.300 -0.212 0.000 2.449 809 W HA 0.473 5.117 4.660 -0.027 0.000 0.331 809 W C 0.059 176.394 176.519 -0.306 0.000 1.119 809 W CA -0.204 57.011 57.345 -0.216 0.000 1.240 809 W CB 1.617 30.976 29.460 -0.168 0.000 1.251 809 W HN 0.467 nan 8.180 nan 0.000 0.576 810 E N 0.475 120.631 120.200 -0.073 0.000 2.433 810 E HA 0.429 4.763 4.350 -0.027 0.000 0.273 810 E C -1.545 174.835 176.600 -0.366 0.000 0.950 810 E CA -1.094 55.174 56.400 -0.221 0.000 0.796 810 E CB 2.255 31.904 29.700 -0.085 0.000 1.330 810 E HN 0.276 nan 8.360 nan 0.000 0.455 811 Y N -0.585 119.772 120.300 0.095 0.000 2.621 811 Y HA 0.803 5.337 4.550 -0.027 0.000 0.334 811 Y C 0.543 176.474 175.900 0.052 0.000 1.074 811 Y CA -0.518 57.629 58.100 0.078 0.000 1.149 811 Y CB 2.438 40.939 38.460 0.067 0.000 1.302 811 Y HN 0.637 nan 8.280 nan 0.000 0.501 812 G N -0.172 108.759 108.800 0.219 0.000 2.368 812 G HA2 0.352 4.296 3.960 -0.027 0.000 0.303 812 G HA3 0.352 4.296 3.960 -0.027 0.000 0.303 812 G C -1.513 173.413 174.900 0.043 0.000 1.590 812 G CA -0.815 44.335 45.100 0.083 0.000 0.938 812 G HN 0.782 nan 8.290 nan 0.000 0.675 813 S N 1.338 116.991 115.700 -0.079 0.000 2.537 813 S HA 0.668 5.122 4.470 -0.027 0.000 0.275 813 S C -0.867 173.716 174.600 -0.029 0.000 1.272 813 S CA -0.613 57.550 58.200 -0.063 0.000 1.050 813 S CB 1.910 64.978 63.200 -0.221 0.000 0.961 813 S HN 0.474 nan 8.310 nan 0.000 0.496 814 P HA 0.078 nan 4.420 nan 0.000 0.231 814 P C 0.081 177.394 177.300 0.022 0.000 1.168 814 P CA 0.516 63.632 63.100 0.026 0.000 0.779 814 P CB 0.142 31.869 31.700 0.046 0.000 0.844 815 R N 0.317 120.831 120.500 0.023 0.000 2.521 815 R HA 0.450 4.774 4.340 -0.027 0.000 0.295 815 R C -1.049 175.272 176.300 0.034 0.000 1.183 815 R CA -0.541 55.579 56.100 0.033 0.000 0.957 815 R CB 0.707 31.036 30.300 0.047 0.000 1.171 815 R HN 0.030 nan 8.270 nan 0.000 0.494 816 L N 4.191 125.424 121.223 0.017 0.000 2.272 816 L HA 0.383 4.707 4.340 -0.027 0.000 0.289 816 L C 0.119 177.022 176.870 0.055 0.000 1.032 816 L CA -0.396 54.459 54.840 0.026 0.000 0.810 816 L CB 1.507 43.556 42.059 -0.017 0.000 1.205 816 L HN 0.458 nan 8.230 nan 0.000 0.422 817 E N 4.346 124.594 120.200 0.079 0.000 2.248 817 E HA 0.630 4.964 4.350 -0.027 0.000 0.272 817 E C -0.863 175.785 176.600 0.079 0.000 1.008 817 E CA -0.910 55.536 56.400 0.077 0.000 0.856 817 E CB 1.711 31.456 29.700 0.075 0.000 1.120 817 E HN 0.458 nan 8.360 nan 0.000 0.397 818 R N 1.425 121.976 120.500 0.084 0.000 2.604 818 R HA 0.328 4.652 4.340 -0.027 0.000 0.281 818 R C -1.654 174.724 176.300 0.130 0.000 1.020 818 R CA -0.838 55.313 56.100 0.084 0.000 0.899 818 R CB 1.582 31.911 30.300 0.049 0.000 1.205 818 R HN 0.535 nan 8.270 nan 0.000 0.450 819 Y N 2.609 122.893 120.300 -0.027 0.000 2.338 819 Y HA 0.206 4.741 4.550 -0.026 0.000 0.333 819 Y C -0.387 175.488 175.900 -0.041 0.000 0.968 819 Y CA -0.854 57.219 58.100 -0.044 0.000 1.123 819 Y CB 1.248 39.654 38.460 -0.090 0.000 1.165 819 Y HN 0.730 nan 8.280 nan 0.000 0.452 820 N N 3.933 122.367 118.700 -0.444 0.000 2.735 820 N HA -0.199 4.525 4.740 -0.027 0.000 0.248 820 N C 0.838 176.271 175.510 -0.129 0.000 1.083 820 N CA 1.726 54.593 53.050 -0.305 0.000 0.703 820 N CB -1.255 37.049 38.487 -0.305 0.000 1.005 820 N HN 1.312 nan 8.380 nan 0.000 0.550 821 G N -2.494 106.253 108.800 -0.088 0.000 2.217 821 G HA2 -0.304 3.640 3.960 -0.027 0.000 0.246 821 G HA3 -0.304 3.640 3.960 -0.027 0.000 0.246 821 G C -0.053 174.839 174.900 -0.014 0.000 0.990 821 G CA 0.503 45.578 45.100 -0.043 0.000 0.627 821 G HN 0.430 nan 8.290 nan 0.000 0.522 822 L N 0.923 122.144 121.223 -0.003 0.000 2.333 822 L HA 0.580 4.904 4.340 -0.027 0.000 0.269 822 L C -2.272 174.621 176.870 0.038 0.000 1.010 822 L CA -2.680 52.169 54.840 0.016 0.000 0.818 822 L CB 1.953 44.018 42.059 0.009 0.000 1.306 822 L HN -0.203 nan 8.230 nan 0.000 0.430 823 P HA 0.053 nan 4.420 nan 0.000 0.264 823 P C -0.932 176.401 177.300 0.055 0.000 1.193 823 P CA 0.027 63.162 63.100 0.058 0.000 0.763 823 P CB 0.774 32.512 31.700 0.063 0.000 0.810 824 S N 2.609 118.348 115.700 0.065 0.000 2.685 824 S HA 0.839 5.293 4.470 -0.027 0.000 0.282 824 S C -0.931 173.692 174.600 0.038 0.000 1.159 824 S CA -0.884 57.340 58.200 0.040 0.000 0.833 824 S CB 1.435 64.669 63.200 0.058 0.000 1.151 824 S HN 0.229 nan 8.310 nan 0.000 0.485 825 M N 1.535 121.138 119.600 0.006 0.000 2.149 825 M HA 0.366 4.830 4.480 -0.027 0.000 0.273 825 M C -0.964 175.336 176.300 -0.000 0.000 0.972 825 M CA -0.124 55.187 55.300 0.018 0.000 0.984 825 M CB 2.207 34.822 32.600 0.025 0.000 1.699 825 M HN 0.899 nan 8.290 nan 0.000 0.462 826 E N 3.671 123.869 120.200 -0.004 0.000 2.299 826 E HA 0.344 4.678 4.350 -0.027 0.000 0.272 826 E C -1.396 175.224 176.600 0.034 0.000 1.043 826 E CA -0.121 56.270 56.400 -0.015 0.000 0.895 826 E CB 0.706 30.391 29.700 -0.026 0.000 1.011 826 E HN 0.510 nan 8.360 nan 0.000 0.432 827 I N 6.107 126.743 120.570 0.110 0.000 2.389 827 I HA 0.234 4.388 4.170 -0.027 0.000 0.288 827 I C -0.076 176.133 176.117 0.152 0.000 0.999 827 I CA -0.362 61.013 61.300 0.125 0.000 1.129 827 I CB 1.144 39.244 38.000 0.167 0.000 1.288 827 I HN 0.411 nan 8.210 nan 0.000 0.444 828 L N 4.806 125.998 121.223 -0.050 0.000 2.544 828 L HA 1.002 5.326 4.340 -0.027 0.000 0.256 828 L C 0.560 177.117 176.870 -0.521 0.000 1.097 828 L CA -0.859 53.823 54.840 -0.263 0.000 0.812 828 L CB 1.063 42.922 42.059 -0.333 0.000 1.440 828 L HN 0.766 nan 8.230 nan 0.000 0.496 829 G N -0.341 107.872 108.800 -0.979 0.000 2.358 829 G HA2 0.227 4.170 3.960 -0.027 0.000 0.303 829 G HA3 0.227 4.170 3.960 -0.027 0.000 0.303 829 G C -1.859 172.434 174.900 -1.012 0.000 1.537 829 G CA -0.696 43.853 45.100 -0.919 0.000 0.928 829 G HN 0.475 nan 8.290 nan 0.000 0.656 830 Q N -0.807 118.759 119.800 -0.390 0.000 2.527 830 Q HA 0.807 5.131 4.340 -0.027 0.000 0.220 830 Q C 0.036 176.062 176.000 0.043 0.000 1.014 830 Q CA -0.681 55.024 55.803 -0.163 0.000 0.978 830 Q CB 2.070 30.765 28.738 -0.071 0.000 1.245 830 Q HN 1.093 nan 8.270 nan 0.000 0.513 831 A N 0.147 123.007 122.820 0.066 0.000 2.350 831 A HA 0.738 5.042 4.320 -0.027 0.000 0.324 831 A C -0.702 176.918 177.584 0.061 0.000 1.118 831 A CA -0.499 51.593 52.037 0.092 0.000 0.783 831 A CB 1.059 20.111 19.000 0.086 0.000 1.236 831 A HN 0.689 nan 8.150 nan 0.000 0.457 832 A N 3.203 126.058 122.820 0.059 0.000 2.507 832 A HA 0.485 4.789 4.320 -0.027 0.000 0.235 832 A C -1.033 176.572 177.584 0.036 0.000 1.070 832 A CA -0.586 51.480 52.037 0.047 0.000 0.768 832 A CB -0.573 18.454 19.000 0.045 0.000 1.011 832 A HN 0.624 nan 8.150 nan 0.000 0.502 833 P HA -0.232 nan 4.420 nan 0.000 0.230 833 P C 1.072 178.382 177.300 0.017 0.000 1.150 833 P CA 2.197 65.311 63.100 0.024 0.000 0.933 833 P CB -0.203 31.509 31.700 0.021 0.000 0.785 834 G N 0.370 109.178 108.800 0.013 0.000 3.090 834 G HA2 -0.027 3.917 3.960 -0.027 0.000 0.259 834 G HA3 -0.027 3.917 3.960 -0.027 0.000 0.259 834 G C 0.023 174.926 174.900 0.005 0.000 0.797 834 G CA -0.347 44.756 45.100 0.004 0.000 2.032 834 G HN 0.234 nan 8.290 nan 0.000 0.614 835 K N 0.645 121.051 120.400 0.010 0.000 2.379 835 K HA 0.335 4.639 4.320 -0.027 0.000 0.284 835 K C -0.472 176.131 176.600 0.004 0.000 1.044 835 K CA -0.124 56.173 56.287 0.017 0.000 0.974 835 K CB 0.466 32.982 32.500 0.027 0.000 0.962 835 K HN 0.211 nan 8.250 nan 0.000 0.474 836 S N 2.702 118.406 115.700 0.006 0.000 2.614 836 S HA 0.168 4.622 4.470 -0.027 0.000 0.275 836 S C 0.549 175.154 174.600 0.009 0.000 1.161 836 S CA -0.743 57.454 58.200 -0.005 0.000 0.969 836 S CB 1.512 64.693 63.200 -0.031 0.000 1.059 836 S HN 0.707 nan 8.310 nan 0.000 0.482 837 T N 3.986 118.550 114.554 0.017 0.000 2.720 837 T HA -0.027 4.307 4.350 -0.027 0.000 0.268 837 T C 2.069 176.746 174.700 -0.039 0.000 1.037 837 T CA 1.764 63.879 62.100 0.025 0.000 1.144 837 T CB -0.848 68.036 68.868 0.026 0.000 0.864 837 T HN 0.837 nan 8.240 nan 0.000 0.444 838 G N 1.502 110.265 108.800 -0.061 0.000 2.476 838 G HA2 -0.264 3.680 3.960 -0.027 0.000 0.218 838 G HA3 -0.264 3.680 3.960 -0.027 0.000 0.218 838 G C 1.453 176.302 174.900 -0.084 0.000 1.164 838 G CA 0.932 45.976 45.100 -0.094 0.000 0.768 838 G HN 0.541 nan 8.290 nan 0.000 0.560 839 E N 0.457 120.623 120.200 -0.056 0.000 2.110 839 E HA -0.027 4.307 4.350 -0.027 0.000 0.193 839 E C 2.896 179.463 176.600 -0.056 0.000 0.988 839 E CA 0.702 57.073 56.400 -0.048 0.000 0.804 839 E CB -0.154 29.526 29.700 -0.032 0.000 0.745 839 E HN 0.446 nan 8.360 nan 0.000 0.458 840 A N 0.958 123.754 122.820 -0.040 0.000 1.897 840 A HA -0.141 4.163 4.320 -0.027 0.000 0.215 840 A C 2.140 179.604 177.584 -0.200 0.000 1.181 840 A CA 1.080 53.090 52.037 -0.044 0.000 0.620 840 A CB -0.373 18.707 19.000 0.132 0.000 0.821 840 A HN 0.113 nan 8.150 nan 0.000 0.443 841 M N -1.010 118.464 119.600 -0.211 0.000 2.149 841 M HA -0.187 4.277 4.480 -0.027 0.000 0.261 841 M C 2.168 178.447 176.300 -0.036 0.000 1.064 841 M CA 1.962 57.103 55.300 -0.265 0.000 1.102 841 M CB -0.302 31.986 32.600 -0.520 0.000 1.369 841 M HN 0.605 nan 8.290 nan 0.000 0.408 842 E N 0.446 120.602 120.200 -0.073 0.000 2.047 842 E HA -0.170 4.164 4.350 -0.027 0.000 0.191 842 E C 1.947 178.495 176.600 -0.086 0.000 0.987 842 E CA 0.784 57.163 56.400 -0.035 0.000 0.799 842 E CB 0.043 29.720 29.700 -0.039 0.000 0.752 842 E HN 0.355 nan 8.360 nan 0.000 0.449 843 L N 0.636 121.776 121.223 -0.138 0.000 2.275 843 L HA -0.096 4.228 4.340 -0.027 0.000 0.215 843 L C 1.940 178.625 176.870 -0.308 0.000 1.119 843 L CA 0.922 55.638 54.840 -0.208 0.000 0.790 843 L CB -0.271 41.665 42.059 -0.205 0.000 0.919 843 L HN 0.359 nan 8.230 nan 0.000 0.443 844 M N -0.060 119.338 119.600 -0.337 0.000 2.254 844 M HA -0.149 4.315 4.480 -0.027 0.000 0.265 844 M C 1.967 177.934 176.300 -0.555 0.000 1.066 844 M CA 1.366 56.343 55.300 -0.539 0.000 1.123 844 M CB -0.562 31.631 32.600 -0.677 0.000 1.388 844 M HN 0.408 nan 8.290 nan 0.000 0.425 845 E N -1.431 118.566 120.200 -0.339 0.000 2.400 845 E HA -0.071 4.263 4.350 -0.027 0.000 0.195 845 E C 1.640 178.095 176.600 -0.242 0.000 1.012 845 E CA 0.188 56.328 56.400 -0.433 0.000 0.875 845 E CB -0.243 29.311 29.700 -0.244 0.000 0.859 845 E HN 0.547 nan 8.360 nan 0.000 0.498 846 Q N 0.378 120.068 119.800 -0.182 0.000 2.123 846 Q HA -0.042 4.282 4.340 -0.027 0.000 0.199 846 Q C 1.907 177.812 176.000 -0.158 0.000 0.966 846 Q CA 0.782 56.508 55.803 -0.129 0.000 0.845 846 Q CB 0.085 28.757 28.738 -0.110 0.000 0.907 846 Q HN 0.207 nan 8.270 nan 0.000 0.439 847 L N 0.246 121.325 121.223 -0.240 0.000 2.156 847 L HA -0.060 4.264 4.340 -0.027 0.000 0.208 847 L C 2.192 178.935 176.870 -0.211 0.000 1.095 847 L CA 1.420 56.118 54.840 -0.236 0.000 0.770 847 L CB -0.728 41.142 42.059 -0.315 0.000 0.914 847 L HN 0.126 nan 8.230 nan 0.000 0.439 848 A N -0.930 121.727 122.820 -0.273 0.000 2.015 848 A HA -0.159 4.145 4.320 -0.027 0.000 0.219 848 A C 2.409 179.957 177.584 -0.059 0.000 1.163 848 A CA 1.554 53.472 52.037 -0.199 0.000 0.646 848 A CB -0.693 18.103 19.000 -0.339 0.000 0.806 848 A HN 0.513 nan 8.150 nan 0.000 0.448 849 S N -0.113 115.557 115.700 -0.050 0.000 2.515 849 S HA -0.091 4.363 4.470 -0.027 0.000 0.231 849 S C 1.612 176.210 174.600 -0.003 0.000 0.987 849 S CA 1.287 59.494 58.200 0.012 0.000 0.936 849 S CB -0.116 63.097 63.200 0.022 0.000 0.766 849 S HN 0.579 nan 8.310 nan 0.000 0.528 850 K N 1.587 121.969 120.400 -0.029 0.000 2.305 850 K HA 0.215 4.519 4.320 -0.027 0.000 0.199 850 K C 0.456 177.045 176.600 -0.018 0.000 1.047 850 K CA 0.142 56.414 56.287 -0.024 0.000 0.976 850 K CB -0.580 31.898 32.500 -0.037 0.000 0.765 850 K HN 0.445 nan 8.250 nan 0.000 0.474 851 L N 3.467 124.680 121.223 -0.017 0.000 2.483 851 L HA 0.172 4.496 4.340 -0.027 0.000 0.276 851 L C -1.696 175.175 176.870 0.001 0.000 1.213 851 L CA -2.003 52.832 54.840 -0.009 0.000 0.843 851 L CB -0.272 41.785 42.059 -0.002 0.000 1.107 851 L HN 0.185 nan 8.230 nan 0.000 0.487 852 P HA -0.002 nan 4.420 nan 0.000 0.268 852 P C -0.420 176.882 177.300 0.004 0.000 1.208 852 P CA -0.276 62.824 63.100 -0.001 0.000 0.777 852 P CB 0.132 31.829 31.700 -0.005 0.000 0.875 853 T N 1.383 115.939 114.554 0.003 0.000 2.933 853 T HA 0.291 4.625 4.350 -0.027 0.000 0.306 853 T C 1.458 176.160 174.700 0.003 0.000 1.045 853 T CA 1.419 63.521 62.100 0.004 0.000 1.143 853 T CB -0.202 68.668 68.868 0.003 0.000 1.003 853 T HN 0.843 nan 8.240 nan 0.000 0.540 854 G N 1.848 110.649 108.800 0.003 0.000 2.254 854 G HA2 -0.230 3.714 3.960 -0.027 0.000 0.225 854 G HA3 -0.230 3.714 3.960 -0.027 0.000 0.225 854 G C 0.095 174.996 174.900 0.000 0.000 1.003 854 G CA -0.204 44.897 45.100 0.000 0.000 0.622 854 G HN 0.834 nan 8.290 nan 0.000 0.507 855 V N 1.894 121.811 119.914 0.006 0.000 2.383 855 V HA 0.730 4.834 4.120 -0.027 0.000 0.275 855 V C 1.020 177.130 176.094 0.026 0.000 1.036 855 V CA 0.304 62.611 62.300 0.012 0.000 0.889 855 V CB 0.908 32.740 31.823 0.016 0.000 0.985 855 V HN 0.817 nan 8.190 nan 0.000 0.459 856 G N 3.545 112.352 108.800 0.011 0.000 3.075 856 G HA2 0.812 4.756 3.960 -0.027 0.000 0.253 856 G HA3 0.812 4.756 3.960 -0.027 0.000 0.253 856 G C -1.347 173.562 174.900 0.015 0.000 1.353 856 G CA -0.649 44.455 45.100 0.006 0.000 1.051 856 G HN 0.850 nan 8.290 nan 0.000 0.553 857 Y N -1.825 118.335 120.300 -0.234 0.000 2.609 857 Y HA 0.761 5.295 4.550 -0.027 0.000 0.336 857 Y C -1.867 173.697 175.900 -0.560 0.000 1.129 857 Y CA -1.354 56.437 58.100 -0.516 0.000 1.040 857 Y CB 2.144 40.225 38.460 -0.631 0.000 1.310 857 Y HN 0.554 nan 8.280 nan 0.000 0.460 858 D N 0.616 120.577 120.400 -0.732 0.000 2.570 858 D HA 0.390 5.014 4.640 -0.027 0.000 0.244 858 D C -2.027 173.830 176.300 -0.739 0.000 1.178 858 D CA -0.536 53.090 54.000 -0.623 0.000 0.881 858 D CB 1.957 42.573 40.800 -0.307 0.000 1.453 858 D HN 0.677 nan 8.370 nan 0.000 0.447 859 W N 0.523 121.703 121.300 -0.200 0.000 2.496 859 W HA 0.536 5.180 4.660 -0.028 0.000 0.327 859 W C 0.652 177.069 176.519 -0.169 0.000 1.086 859 W CA -0.433 56.828 57.345 -0.140 0.000 1.222 859 W CB 1.920 31.374 29.460 -0.010 0.000 1.304 859 W HN 0.075 nan 8.180 nan 0.000 0.547 860 T N 0.532 115.120 114.554 0.057 0.000 2.742 860 T HA 0.622 4.956 4.350 -0.027 0.000 0.282 860 T C 0.954 175.665 174.700 0.019 0.000 1.025 860 T CA 0.377 62.358 62.100 -0.198 0.000 1.020 860 T CB 0.556 69.127 68.868 -0.494 0.000 1.317 860 T HN 0.897 nan 8.240 nan 0.000 0.538 861 G N 1.844 110.653 108.800 0.015 0.000 2.702 861 G HA2 -0.319 3.624 3.960 -0.027 0.000 0.342 861 G HA3 -0.319 3.624 3.960 -0.027 0.000 0.342 861 G C 1.203 176.147 174.900 0.073 0.000 1.258 861 G CA 1.160 46.318 45.100 0.096 0.000 0.990 861 G HN 0.663 nan 8.290 nan 0.000 0.548 862 M N 1.517 121.127 119.600 0.016 0.000 2.254 862 M HA -0.013 4.451 4.480 -0.027 0.000 0.265 862 M C 2.909 179.095 176.300 -0.190 0.000 1.066 862 M CA 2.271 57.520 55.300 -0.086 0.000 1.123 862 M CB -1.169 31.412 32.600 -0.031 0.000 1.388 862 M HN 0.610 nan 8.290 nan 0.000 0.425 863 S N -0.850 114.795 115.700 -0.090 0.000 2.395 863 S HA -0.125 4.329 4.470 -0.027 0.000 0.225 863 S C 1.890 176.376 174.600 -0.190 0.000 1.027 863 S CA 0.389 58.444 58.200 -0.243 0.000 0.965 863 S CB -0.974 61.982 63.200 -0.406 0.000 0.812 863 S HN 0.465 nan 8.310 nan 0.000 0.482 864 Y N 2.307 122.558 120.300 -0.083 0.000 2.193 864 Y HA -0.270 4.265 4.550 -0.026 0.000 0.285 864 Y C 2.716 178.551 175.900 -0.108 0.000 1.166 864 Y CA 2.018 60.106 58.100 -0.019 0.000 1.181 864 Y CB -0.322 38.162 38.460 0.041 0.000 0.976 864 Y HN 0.171 nan 8.280 nan 0.000 0.520 865 Q N 0.677 120.452 119.800 -0.040 0.000 2.016 865 Q HA -0.198 4.126 4.340 -0.027 0.000 0.200 865 Q C 2.263 177.943 176.000 -0.533 0.000 0.978 865 Q CA 2.144 57.760 55.803 -0.311 0.000 0.833 865 Q CB -0.476 27.893 28.738 -0.615 0.000 0.895 865 Q HN 0.650 nan 8.270 nan 0.000 0.427 866 E N -0.223 119.562 120.200 -0.692 0.000 2.065 866 E HA -0.286 4.048 4.350 -0.027 0.000 0.201 866 E C 2.061 178.551 176.600 -0.184 0.000 1.016 866 E CA 1.445 57.630 56.400 -0.359 0.000 0.818 866 E CB -0.151 29.373 29.700 -0.293 0.000 0.749 866 E HN 0.187 nan 8.360 nan 0.000 0.453 867 R N 0.457 120.805 120.500 -0.253 0.000 2.091 867 R HA -0.180 4.144 4.340 -0.027 0.000 0.238 867 R C 2.616 178.832 176.300 -0.141 0.000 1.136 867 R CA 1.554 57.536 56.100 -0.198 0.000 0.959 867 R CB -0.436 29.727 30.300 -0.228 0.000 0.856 867 R HN 0.381 nan 8.270 nan 0.000 0.437 868 L N 0.097 121.213 121.223 -0.179 0.000 2.056 868 L HA -0.116 4.208 4.340 -0.027 0.000 0.207 868 L C 2.423 179.304 176.870 0.018 0.000 1.078 868 L CA 1.773 56.558 54.840 -0.092 0.000 0.749 868 L CB -0.360 41.642 42.059 -0.095 0.000 0.901 868 L HN 0.147 nan 8.230 nan 0.000 0.433 869 S N -0.368 115.360 115.700 0.047 0.000 2.382 869 S HA -0.116 4.338 4.470 -0.027 0.000 0.228 869 S C 1.896 176.555 174.600 0.098 0.000 1.027 869 S CA 1.284 59.563 58.200 0.131 0.000 0.991 869 S CB -0.561 62.816 63.200 0.295 0.000 0.823 869 S HN 0.683 nan 8.310 nan 0.000 0.469 870 G N 1.073 109.910 108.800 0.061 0.000 2.421 870 G HA2 -0.129 3.815 3.960 -0.027 0.000 0.217 870 G HA3 -0.129 3.815 3.960 -0.027 0.000 0.217 870 G C 1.459 176.393 174.900 0.057 0.000 1.143 870 G CA 0.572 45.706 45.100 0.057 0.000 0.784 870 G HN 0.514 nan 8.290 nan 0.000 0.541 871 N N 0.511 119.237 118.700 0.042 0.000 2.250 871 N HA -0.027 4.697 4.740 -0.027 0.000 0.181 871 N C 2.306 177.858 175.510 0.071 0.000 1.017 871 N CA 0.744 53.823 53.050 0.049 0.000 0.866 871 N CB -0.340 38.165 38.487 0.029 0.000 0.985 871 N HN 0.405 nan 8.380 nan 0.000 0.429 872 Q N 0.432 120.290 119.800 0.098 0.000 2.167 872 Q HA 0.062 4.386 4.340 -0.027 0.000 0.202 872 Q C 2.052 178.054 176.000 0.002 0.000 0.970 872 Q CA 1.153 57.053 55.803 0.161 0.000 0.855 872 Q CB -0.141 28.767 28.738 0.285 0.000 0.911 872 Q HN 0.370 nan 8.270 nan 0.000 0.438 873 A N 2.097 124.873 122.820 -0.073 0.000 1.896 873 A HA -0.216 4.088 4.320 -0.027 0.000 0.220 873 A C -0.324 177.001 177.584 -0.433 0.000 1.206 873 A CA 1.976 53.840 52.037 -0.289 0.000 0.647 873 A CB -1.767 17.215 19.000 -0.030 0.000 0.828 873 A HN 0.319 nan 8.150 nan 0.000 0.455 874 P HA -0.074 nan 4.420 nan 0.000 0.217 874 P C 1.563 178.843 177.300 -0.035 0.000 1.150 874 P CA 1.700 64.811 63.100 0.017 0.000 0.832 874 P CB -0.240 31.509 31.700 0.081 0.000 0.787 875 S N -0.629 115.068 115.700 -0.005 0.000 2.419 875 S HA -0.053 4.401 4.470 -0.027 0.000 0.233 875 S C 1.822 176.466 174.600 0.074 0.000 1.016 875 S CA 0.469 58.721 58.200 0.087 0.000 0.974 875 S CB -0.935 62.389 63.200 0.206 0.000 0.786 875 S HN 0.099 nan 8.310 nan 0.000 0.492 876 L N -0.168 120.909 121.223 -0.243 0.000 2.005 876 L HA -0.117 4.207 4.340 -0.027 0.000 0.207 876 L C 1.870 178.540 176.870 -0.333 0.000 1.072 876 L CA 1.596 56.099 54.840 -0.561 0.000 0.744 876 L CB -0.387 41.029 42.059 -1.072 0.000 0.895 876 L HN 0.449 nan 8.230 nan 0.000 0.433 877 Y N -0.660 119.557 120.300 -0.138 0.000 2.242 877 Y HA -0.205 4.329 4.550 -0.026 0.000 0.291 877 Y C 2.637 178.480 175.900 -0.095 0.000 1.137 877 Y CA 0.442 58.462 58.100 -0.134 0.000 1.181 877 Y CB -0.582 37.800 38.460 -0.129 0.000 0.989 877 Y HN 0.282 nan 8.280 nan 0.000 0.527 878 A N 0.894 123.752 122.820 0.063 0.000 1.865 878 A HA -0.198 4.106 4.320 -0.027 0.000 0.217 878 A C 2.154 179.752 177.584 0.023 0.000 1.191 878 A CA 2.030 54.086 52.037 0.031 0.000 0.623 878 A CB -1.027 17.994 19.000 0.034 0.000 0.826 878 A HN 0.495 nan 8.150 nan 0.000 0.444 879 I N -0.500 120.102 120.570 0.054 0.000 2.353 879 I HA -0.160 3.994 4.170 -0.027 0.000 0.248 879 I C 2.620 178.757 176.117 0.034 0.000 1.119 879 I CA 1.199 62.540 61.300 0.067 0.000 1.417 879 I CB -0.229 37.858 38.000 0.144 0.000 1.078 879 I HN 0.201 nan 8.210 nan 0.000 0.421 880 S N 0.983 116.686 115.700 0.003 0.000 2.368 880 S HA -0.102 4.352 4.470 -0.027 0.000 0.225 880 S C 2.009 176.580 174.600 -0.048 0.000 1.030 880 S CA 1.276 59.448 58.200 -0.045 0.000 0.999 880 S CB -0.337 62.801 63.200 -0.103 0.000 0.844 880 S HN 0.328 nan 8.310 nan 0.000 0.459 881 L N 0.763 121.963 121.223 -0.039 0.000 2.093 881 L HA -0.029 4.295 4.340 -0.027 0.000 0.208 881 L C 2.183 179.029 176.870 -0.040 0.000 1.085 881 L CA 0.936 55.743 54.840 -0.055 0.000 0.755 881 L CB -0.471 41.544 42.059 -0.074 0.000 0.904 881 L HN 0.286 nan 8.230 nan 0.000 0.435 882 I N -0.993 119.556 120.570 -0.034 0.000 2.179 882 I HA -0.267 3.887 4.170 -0.027 0.000 0.242 882 I C 2.436 178.578 176.117 0.042 0.000 1.088 882 I CA 1.065 62.356 61.300 -0.016 0.000 1.357 882 I CB -0.159 37.833 38.000 -0.015 0.000 1.051 882 I HN -0.001 nan 8.210 nan 0.000 0.409 883 V N 0.377 120.306 119.914 0.026 0.000 2.343 883 V HA -0.236 3.868 4.120 -0.027 0.000 0.247 883 V C 2.395 178.492 176.094 0.006 0.000 1.051 883 V CA 1.510 63.826 62.300 0.026 0.000 1.036 883 V CB -0.266 31.572 31.823 0.025 0.000 0.654 883 V HN 0.228 nan 8.190 nan 0.000 0.451 884 V N -0.563 119.345 119.914 -0.010 0.000 2.295 884 V HA -0.280 3.824 4.120 -0.027 0.000 0.246 884 V C 2.157 178.236 176.094 -0.026 0.000 1.049 884 V CA 2.503 64.787 62.300 -0.028 0.000 1.024 884 V CB -0.789 31.006 31.823 -0.047 0.000 0.648 884 V HN 0.584 nan 8.190 nan 0.000 0.447 885 F N -0.008 119.843 119.950 -0.165 0.000 2.126 885 F HA -0.206 4.305 4.527 -0.027 0.000 0.299 885 F C 2.146 177.807 175.800 -0.231 0.000 1.096 885 F CA 1.616 59.469 58.000 -0.245 0.000 1.255 885 F CB -0.143 38.654 39.000 -0.338 0.000 0.997 885 F HN -0.000 nan 8.300 nan 0.000 0.479 886 L N -0.438 120.763 121.223 -0.037 0.000 2.093 886 L HA -0.239 4.085 4.340 -0.027 0.000 0.208 886 L C 2.646 179.441 176.870 -0.125 0.000 1.085 886 L CA 1.364 56.155 54.840 -0.082 0.000 0.755 886 L CB -1.776 40.308 42.059 0.042 0.000 0.904 886 L HN 0.367 nan 8.230 nan 0.000 0.435 887 C N -0.382 118.859 119.300 -0.099 0.000 2.432 887 C HA -0.164 4.280 4.460 -0.027 0.000 0.277 887 C C 2.882 177.787 174.990 -0.143 0.000 1.249 887 C CA 0.323 59.284 59.018 -0.095 0.000 1.725 887 C CB -0.813 26.887 27.740 -0.066 0.000 2.028 887 C HN 0.425 nan 8.230 nan 0.000 0.477 888 L N 1.002 122.122 121.223 -0.171 0.000 2.083 888 L HA -0.143 4.181 4.340 -0.027 0.000 0.209 888 L C 2.856 179.635 176.870 -0.153 0.000 1.083 888 L CA 1.547 56.311 54.840 -0.127 0.000 0.752 888 L CB -0.727 41.271 42.059 -0.102 0.000 0.899 888 L HN 0.343 nan 8.230 nan 0.000 0.433 889 A N -0.011 122.619 122.820 -0.317 0.000 1.933 889 A HA -0.141 4.163 4.320 -0.027 0.000 0.218 889 A C 2.495 180.040 177.584 -0.065 0.000 1.175 889 A CA 1.664 53.558 52.037 -0.238 0.000 0.628 889 A CB -0.608 18.151 19.000 -0.401 0.000 0.814 889 A HN 0.398 nan 8.150 nan 0.000 0.444 890 A N -1.094 121.675 122.820 -0.084 0.000 2.014 890 A HA 0.139 4.443 4.320 -0.027 0.000 0.218 890 A C 2.070 179.595 177.584 -0.098 0.000 1.163 890 A CA 1.557 53.565 52.037 -0.049 0.000 0.652 890 A CB -0.363 18.611 19.000 -0.043 0.000 0.808 890 A HN 0.554 nan 8.150 nan 0.000 0.449 891 L N -1.851 119.254 121.223 -0.196 0.000 2.130 891 L HA 0.205 4.529 4.340 -0.027 0.000 0.200 891 L C 0.069 176.699 176.870 -0.401 0.000 1.075 891 L CA 0.996 55.619 54.840 -0.362 0.000 0.768 891 L CB -0.286 41.425 42.059 -0.581 0.000 0.933 891 L HN 0.379 nan 8.230 nan 0.000 0.451 892 Y N 0.310 120.586 120.300 -0.039 0.000 2.404 892 Y HA 0.248 4.782 4.550 -0.026 0.000 0.344 892 Y C 1.099 176.997 175.900 -0.004 0.000 0.970 892 Y CA -0.501 57.586 58.100 -0.021 0.000 1.180 892 Y CB 0.707 39.150 38.460 -0.028 0.000 1.138 892 Y HN 0.071 nan 8.280 nan 0.000 0.510 893 E N 1.343 121.630 120.200 0.146 0.000 2.516 893 E HA -0.121 4.213 4.350 -0.027 0.000 0.206 893 E C 0.301 177.013 176.600 0.186 0.000 1.107 893 E CA 0.308 56.787 56.400 0.131 0.000 0.903 893 E CB -0.080 29.685 29.700 0.108 0.000 0.838 893 E HN 0.403 nan 8.360 nan 0.000 0.574 894 S N -0.916 114.886 115.700 0.170 0.000 2.585 894 S HA 0.142 4.596 4.470 -0.027 0.000 0.277 894 S C 0.124 174.755 174.600 0.052 0.000 1.241 894 S CA -0.745 57.538 58.200 0.138 0.000 1.041 894 S CB 0.384 63.594 63.200 0.017 0.000 0.987 894 S HN 0.541 nan 8.310 nan 0.000 0.512 895 W N 3.123 124.247 121.300 -0.294 0.000 3.077 895 W HA 0.064 4.708 4.660 -0.027 0.000 0.266 895 W C 1.349 177.674 176.519 -0.324 0.000 1.300 895 W CA 0.739 57.946 57.345 -0.229 0.000 1.586 895 W CB 0.188 29.723 29.460 0.126 0.000 1.103 895 W HN 0.886 nan 8.180 nan 0.000 0.652 896 S N -1.121 114.167 115.700 -0.687 0.000 2.554 896 S HA 0.001 4.455 4.470 -0.027 0.000 0.227 896 S C 1.537 175.999 174.600 -0.229 0.000 1.050 896 S CA -0.074 57.897 58.200 -0.381 0.000 0.927 896 S CB -0.516 62.217 63.200 -0.780 0.000 0.859 896 S HN -0.058 nan 8.310 nan 0.000 0.494 897 I N 3.569 123.960 120.570 -0.299 0.000 2.194 897 I HA -0.031 4.123 4.170 -0.027 0.000 0.246 897 I C -0.846 175.187 176.117 -0.141 0.000 1.093 897 I CA 0.811 61.999 61.300 -0.187 0.000 1.355 897 I CB -2.369 35.553 38.000 -0.130 0.000 1.046 897 I HN 0.257 nan 8.210 nan 0.000 0.413 898 P HA -0.158 nan 4.420 nan 0.000 0.217 898 P C 2.044 179.282 177.300 -0.104 0.000 1.150 898 P CA 1.320 64.230 63.100 -0.316 0.000 0.832 898 P CB -0.182 30.949 31.700 -0.950 0.000 0.787 899 F N 0.552 120.482 119.950 -0.033 0.000 2.161 899 F HA -0.227 4.284 4.527 -0.026 0.000 0.300 899 F C 2.518 178.265 175.800 -0.088 0.000 1.089 899 F CA 1.950 59.952 58.000 0.003 0.000 1.282 899 F CB -0.739 38.222 39.000 -0.066 0.000 1.010 899 F HN 0.015 nan 8.300 nan 0.000 0.485 900 S N -0.887 114.868 115.700 0.092 0.000 2.395 900 S HA -0.119 4.335 4.470 -0.027 0.000 0.225 900 S C 2.011 176.649 174.600 0.063 0.000 1.027 900 S CA 0.884 59.123 58.200 0.064 0.000 0.965 900 S CB -0.782 62.491 63.200 0.121 0.000 0.812 900 S HN 0.258 nan 8.310 nan 0.000 0.482 901 V N 1.674 121.624 119.914 0.060 0.000 2.548 901 V HA -0.022 4.082 4.120 -0.027 0.000 0.249 901 V C 2.214 178.310 176.094 0.004 0.000 1.055 901 V CA 1.547 63.885 62.300 0.064 0.000 1.065 901 V CB -0.663 31.187 31.823 0.045 0.000 0.681 901 V HN 0.407 nan 8.190 nan 0.000 0.462 902 M N -0.183 119.401 119.600 -0.028 0.000 2.267 902 M HA -0.100 4.364 4.480 -0.027 0.000 0.263 902 M C 2.040 178.271 176.300 -0.114 0.000 1.063 902 M CA 1.740 57.006 55.300 -0.056 0.000 1.090 902 M CB -1.107 31.462 32.600 -0.052 0.000 1.392 902 M HN 0.377 nan 8.290 nan 0.000 0.422 903 L N -0.840 120.229 121.223 -0.256 0.000 2.551 903 L HA -0.079 4.245 4.340 -0.027 0.000 0.228 903 L C 1.993 178.662 176.870 -0.334 0.000 1.153 903 L CA 0.057 54.574 54.840 -0.538 0.000 0.851 903 L CB -0.394 40.807 42.059 -1.430 0.000 0.959 903 L HN 0.042 nan 8.230 nan 0.000 0.451 904 V N -1.781 118.111 119.914 -0.037 0.000 3.235 904 V HA -0.096 4.008 4.120 -0.027 0.000 0.259 904 V C 2.338 178.489 176.094 0.095 0.000 1.133 904 V CA 0.473 62.897 62.300 0.206 0.000 1.128 904 V CB 0.339 32.301 31.823 0.231 0.000 0.757 904 V HN 0.164 nan 8.190 nan 0.000 0.469 905 V N 1.024 120.945 119.914 0.012 0.000 2.231 905 V HA -0.207 3.897 4.120 -0.027 0.000 0.248 905 V C 0.216 176.282 176.094 -0.047 0.000 1.054 905 V CA 2.804 65.080 62.300 -0.040 0.000 1.015 905 V CB -1.801 29.974 31.823 -0.081 0.000 0.638 905 V HN 0.520 nan 8.190 nan 0.000 0.444 906 P HA -0.095 nan 4.420 nan 0.000 0.220 906 P C 1.713 178.969 177.300 -0.074 0.000 1.148 906 P CA 0.949 63.990 63.100 -0.097 0.000 0.803 906 P CB -0.060 31.530 31.700 -0.183 0.000 0.782 907 L N -0.783 120.437 121.223 -0.004 0.000 2.083 907 L HA -0.054 4.270 4.340 -0.027 0.000 0.209 907 L C 2.437 179.306 176.870 -0.001 0.000 1.083 907 L CA 2.148 56.986 54.840 -0.004 0.000 0.752 907 L CB -1.807 40.302 42.059 0.083 0.000 0.899 907 L HN 0.021 nan 8.230 nan 0.000 0.433 908 G N -1.646 107.152 108.800 -0.003 0.000 2.404 908 G HA2 -0.099 3.845 3.960 -0.027 0.000 0.213 908 G HA3 -0.099 3.845 3.960 -0.027 0.000 0.213 908 G C 1.621 176.500 174.900 -0.035 0.000 1.189 908 G CA 0.689 45.779 45.100 -0.017 0.000 0.796 908 G HN 0.195 nan 8.290 nan 0.000 0.532 909 V N 1.222 121.099 119.914 -0.062 0.000 2.324 909 V HA -0.230 3.874 4.120 -0.027 0.000 0.250 909 V C 2.650 178.741 176.094 -0.004 0.000 1.060 909 V CA 1.789 64.050 62.300 -0.065 0.000 1.042 909 V CB -0.469 31.291 31.823 -0.104 0.000 0.650 909 V HN 0.377 nan 8.190 nan 0.000 0.450 910 I N 1.169 121.731 120.570 -0.014 0.000 2.335 910 I HA -0.155 3.999 4.170 -0.027 0.000 0.251 910 I C 2.235 178.364 176.117 0.020 0.000 1.129 910 I CA 1.886 63.190 61.300 0.006 0.000 1.402 910 I CB -0.681 37.300 38.000 -0.031 0.000 1.069 910 I HN 0.239 nan 8.210 nan 0.000 0.424 911 G N -0.510 108.296 108.800 0.010 0.000 2.421 911 G HA2 -0.130 3.814 3.960 -0.027 0.000 0.217 911 G HA3 -0.130 3.814 3.960 -0.027 0.000 0.217 911 G C 1.715 176.642 174.900 0.043 0.000 1.143 911 G CA 0.579 45.687 45.100 0.013 0.000 0.784 911 G HN 0.564 nan 8.290 nan 0.000 0.541 912 A N 0.701 123.559 122.820 0.063 0.000 1.873 912 A HA 0.150 4.454 4.320 -0.027 0.000 0.215 912 A C 2.368 180.127 177.584 0.290 0.000 1.186 912 A CA 1.059 53.176 52.037 0.133 0.000 0.616 912 A CB -0.391 18.600 19.000 -0.016 0.000 0.823 912 A HN 0.325 nan 8.150 nan 0.000 0.442 913 L N -0.843 120.531 121.223 0.251 0.000 2.141 913 L HA -0.127 4.197 4.340 -0.027 0.000 0.209 913 L C 2.364 179.305 176.870 0.119 0.000 1.094 913 L CA 0.296 55.269 54.840 0.223 0.000 0.763 913 L CB -0.404 41.765 42.059 0.184 0.000 0.908 913 L HN 0.264 nan 8.230 nan 0.000 0.437 914 L N -0.094 121.175 121.223 0.076 0.000 2.017 914 L HA -0.143 4.181 4.340 -0.027 0.000 0.208 914 L C 2.757 179.625 176.870 -0.003 0.000 1.073 914 L CA 2.089 56.929 54.840 0.000 0.000 0.745 914 L CB -1.396 40.594 42.059 -0.115 0.000 0.894 914 L HN 0.193 nan 8.230 nan 0.000 0.432 915 A N -0.801 122.035 122.820 0.027 0.000 1.858 915 A HA -0.146 4.158 4.320 -0.027 0.000 0.216 915 A C 2.452 180.101 177.584 0.108 0.000 1.190 915 A CA 1.977 54.049 52.037 0.059 0.000 0.617 915 A CB -0.966 18.085 19.000 0.085 0.000 0.827 915 A HN 0.410 nan 8.150 nan 0.000 0.443 916 A N -1.252 121.624 122.820 0.093 0.000 1.933 916 A HA -0.061 4.243 4.320 -0.027 0.000 0.218 916 A C 2.284 179.853 177.584 -0.025 0.000 1.175 916 A CA 2.256 54.275 52.037 -0.031 0.000 0.628 916 A CB -1.183 17.627 19.000 -0.317 0.000 0.814 916 A HN 0.439 nan 8.150 nan 0.000 0.444 917 T N -0.766 113.812 114.554 0.040 0.000 2.777 917 T HA -0.055 4.279 4.350 -0.027 0.000 0.266 917 T C 1.528 176.325 174.700 0.162 0.000 1.040 917 T CA 1.373 63.519 62.100 0.078 0.000 1.141 917 T CB -0.357 68.584 68.868 0.121 0.000 0.868 917 T HN 0.364 nan 8.240 nan 0.000 0.444 918 F N 1.355 121.297 119.950 -0.013 0.000 2.084 918 F HA 0.128 4.639 4.527 -0.027 0.000 0.296 918 F C 1.747 177.544 175.800 -0.004 0.000 1.111 918 F CA 0.663 58.663 58.000 0.000 0.000 1.224 918 F CB -0.384 38.625 39.000 0.016 0.000 0.991 918 F HN -0.095 nan 8.300 nan 0.000 0.471 919 R N -0.400 120.207 120.500 0.179 0.000 2.863 919 R HA 0.111 4.435 4.340 -0.027 0.000 0.273 919 R C 1.482 177.798 176.300 0.027 0.000 1.057 919 R CA 0.444 56.593 56.100 0.081 0.000 1.191 919 R CB -0.208 30.134 30.300 0.069 0.000 1.104 919 R HN 0.278 nan 8.270 nan 0.000 0.519 920 G N 1.445 110.250 108.800 0.010 0.000 2.882 920 G HA2 -0.014 3.929 3.960 -0.027 0.000 0.206 920 G HA3 -0.014 3.929 3.960 -0.027 0.000 0.206 920 G C 0.735 175.620 174.900 -0.026 0.000 1.155 920 G CA -0.037 45.057 45.100 -0.010 0.000 0.800 920 G HN 0.251 nan 8.290 nan 0.000 0.524 921 L N -0.366 120.838 121.223 -0.031 0.000 2.468 921 L HA 0.408 4.732 4.340 -0.027 0.000 0.253 921 L C 0.758 177.541 176.870 -0.144 0.000 1.237 921 L CA 0.133 54.935 54.840 -0.064 0.000 0.823 921 L CB 0.985 43.015 42.059 -0.048 0.000 1.124 921 L HN 0.080 nan 8.230 nan 0.000 0.504 922 T N -0.711 113.732 114.554 -0.186 0.000 2.896 922 T HA 0.191 4.525 4.350 -0.027 0.000 0.297 922 T C -0.342 174.144 174.700 -0.356 0.000 1.108 922 T CA -0.742 61.218 62.100 -0.232 0.000 1.004 922 T CB 1.431 70.231 68.868 -0.112 0.000 1.159 922 T HN 0.522 nan 8.240 nan 0.000 0.499 923 N N 3.199 121.677 118.700 -0.370 0.000 2.819 923 N HA 0.149 4.873 4.740 -0.027 0.000 0.284 923 N C -0.407 175.075 175.510 -0.047 0.000 1.196 923 N CA -0.191 52.672 53.050 -0.311 0.000 1.114 923 N CB -0.314 37.996 38.487 -0.295 0.000 1.437 923 N HN 0.714 nan 8.380 nan 0.000 0.518 924 D N -0.824 119.591 120.400 0.026 0.000 2.560 924 D HA 0.107 4.731 4.640 -0.027 0.000 0.277 924 D C 1.443 177.756 176.300 0.021 0.000 1.194 924 D CA -0.655 53.354 54.000 0.016 0.000 1.092 924 D CB 0.078 40.863 40.800 -0.024 0.000 1.169 924 D HN -0.072 nan 8.370 nan 0.000 0.607 925 V N -1.123 118.676 119.914 -0.192 0.000 2.358 925 V HA -0.232 3.872 4.120 -0.027 0.000 0.246 925 V C 2.145 178.177 176.094 -0.103 0.000 1.047 925 V CA 1.490 63.647 62.300 -0.238 0.000 1.035 925 V CB -1.022 30.428 31.823 -0.622 0.000 0.658 925 V HN 0.475 nan 8.190 nan 0.000 0.452 926 Y N -1.486 118.810 120.300 -0.006 0.000 2.181 926 Y HA -0.267 4.267 4.550 -0.027 0.000 0.288 926 Y C 2.350 178.256 175.900 0.010 0.000 1.146 926 Y CA 1.845 59.928 58.100 -0.029 0.000 1.164 926 Y CB -0.412 38.029 38.460 -0.032 0.000 0.982 926 Y HN 0.234 nan 8.280 nan 0.000 0.515 927 F N 1.396 121.395 119.950 0.083 0.000 2.126 927 F HA -0.303 4.208 4.527 -0.027 0.000 0.299 927 F C 2.221 178.044 175.800 0.037 0.000 1.096 927 F CA 1.764 59.785 58.000 0.035 0.000 1.255 927 F CB -0.521 38.480 39.000 0.003 0.000 0.997 927 F HN 0.069 nan 8.300 nan 0.000 0.479 928 Q N -0.654 119.211 119.800 0.108 0.000 2.124 928 Q HA -0.175 4.149 4.340 -0.027 0.000 0.202 928 Q C 2.266 178.234 176.000 -0.053 0.000 0.977 928 Q CA 1.910 57.765 55.803 0.087 0.000 0.850 928 Q CB -0.400 28.436 28.738 0.164 0.000 0.901 928 Q HN 0.336 nan 8.270 nan 0.000 0.429 929 V N 0.263 120.122 119.914 -0.090 0.000 2.358 929 V HA -0.199 3.905 4.120 -0.027 0.000 0.246 929 V C 2.211 178.222 176.094 -0.138 0.000 1.047 929 V CA 1.921 64.107 62.300 -0.190 0.000 1.035 929 V CB -1.255 30.295 31.823 -0.456 0.000 0.658 929 V HN 0.539 nan 8.190 nan 0.000 0.452 930 G N 0.004 108.712 108.800 -0.153 0.000 2.446 930 G HA2 -0.228 3.716 3.960 -0.027 0.000 0.217 930 G HA3 -0.228 3.716 3.960 -0.027 0.000 0.217 930 G C 1.594 176.349 174.900 -0.241 0.000 1.168 930 G CA 1.035 46.041 45.100 -0.157 0.000 0.771 930 G HN 0.453 nan 8.290 nan 0.000 0.551 931 L N -0.055 120.938 121.223 -0.383 0.000 2.079 931 L HA -0.038 4.286 4.340 -0.027 0.000 0.210 931 L C 2.924 179.629 176.870 -0.275 0.000 1.081 931 L CA 0.601 55.215 54.840 -0.377 0.000 0.752 931 L CB -0.379 41.404 42.059 -0.461 0.000 0.896 931 L HN 0.208 nan 8.230 nan 0.000 0.433 932 L N -0.896 120.188 121.223 -0.232 0.000 2.093 932 L HA -0.167 4.157 4.340 -0.027 0.000 0.208 932 L C 2.579 179.193 176.870 -0.427 0.000 1.085 932 L CA 1.359 56.002 54.840 -0.327 0.000 0.755 932 L CB -0.806 41.014 42.059 -0.398 0.000 0.904 932 L HN 0.309 nan 8.230 nan 0.000 0.435 933 T N -1.309 113.109 114.554 -0.226 0.000 2.777 933 T HA -0.143 4.191 4.350 -0.027 0.000 0.266 933 T C 1.887 176.504 174.700 -0.138 0.000 1.040 933 T CA 1.791 63.864 62.100 -0.045 0.000 1.141 933 T CB -0.330 68.658 68.868 0.200 0.000 0.868 933 T HN 0.346 nan 8.240 nan 0.000 0.444 934 T N 2.519 116.982 114.554 -0.153 0.000 2.720 934 T HA -0.016 4.318 4.350 -0.027 0.000 0.268 934 T C 1.989 176.594 174.700 -0.158 0.000 1.037 934 T CA 0.976 62.985 62.100 -0.152 0.000 1.144 934 T CB -0.518 68.260 68.868 -0.149 0.000 0.864 934 T HN 0.328 nan 8.240 nan 0.000 0.444 935 I N 1.375 121.833 120.570 -0.187 0.000 2.264 935 I HA -0.145 4.009 4.170 -0.027 0.000 0.248 935 I C 2.855 178.880 176.117 -0.152 0.000 1.111 935 I CA 1.328 62.527 61.300 -0.170 0.000 1.382 935 I CB -0.758 37.126 38.000 -0.194 0.000 1.060 935 I HN 0.332 nan 8.210 nan 0.000 0.418 936 G N 1.203 109.892 108.800 -0.186 0.000 2.434 936 G HA2 -0.178 3.766 3.960 -0.027 0.000 0.214 936 G HA3 -0.178 3.766 3.960 -0.027 0.000 0.214 936 G C 1.637 176.469 174.900 -0.112 0.000 1.202 936 G CA 0.590 45.606 45.100 -0.139 0.000 0.788 936 G HN 0.268 nan 8.290 nan 0.000 0.539 937 L N 1.548 122.675 121.223 -0.159 0.000 1.990 937 L HA -0.192 4.132 4.340 -0.027 0.000 0.213 937 L C 3.317 180.126 176.870 -0.102 0.000 1.072 937 L CA 1.987 56.713 54.840 -0.190 0.000 0.755 937 L CB -0.863 41.013 42.059 -0.306 0.000 0.889 937 L HN 0.444 nan 8.230 nan 0.000 0.432 938 S N 0.048 115.702 115.700 -0.076 0.000 2.399 938 S HA -0.121 4.333 4.470 -0.027 0.000 0.231 938 S C 2.140 176.744 174.600 0.005 0.000 1.022 938 S CA 0.785 58.974 58.200 -0.019 0.000 0.983 938 S CB -0.491 62.703 63.200 -0.009 0.000 0.803 938 S HN 0.369 nan 8.310 nan 0.000 0.480 939 A N 2.285 125.095 122.820 -0.017 0.000 1.969 939 A HA 0.010 4.314 4.320 -0.027 0.000 0.218 939 A C 2.218 179.812 177.584 0.017 0.000 1.169 939 A CA 1.469 53.507 52.037 0.002 0.000 0.635 939 A CB -0.608 18.380 19.000 -0.020 0.000 0.810 939 A HN 0.577 nan 8.150 nan 0.000 0.445 940 K N -0.179 120.220 120.400 -0.002 0.000 2.025 940 K HA -0.201 4.103 4.320 -0.027 0.000 0.207 940 K C 1.752 178.364 176.600 0.020 0.000 1.049 940 K CA 1.723 58.015 56.287 0.010 0.000 0.933 940 K CB -0.336 32.153 32.500 -0.019 0.000 0.714 940 K HN 0.363 nan 8.250 nan 0.000 0.438 941 N N 0.775 119.481 118.700 0.010 0.000 2.061 941 N HA -0.164 4.560 4.740 -0.027 0.000 0.193 941 N C 1.637 177.169 175.510 0.037 0.000 1.030 941 N CA 1.822 54.884 53.050 0.021 0.000 0.856 941 N CB -0.363 38.140 38.487 0.027 0.000 1.023 941 N HN 0.362 nan 8.380 nan 0.000 0.424 942 A N 0.509 123.363 122.820 0.057 0.000 1.877 942 A HA -0.080 4.224 4.320 -0.027 0.000 0.216 942 A C 2.301 179.917 177.584 0.053 0.000 1.186 942 A CA 1.025 53.109 52.037 0.078 0.000 0.620 942 A CB -0.765 18.304 19.000 0.115 0.000 0.822 942 A HN 0.280 nan 8.150 nan 0.000 0.443 943 I N -0.339 120.259 120.570 0.047 0.000 2.151 943 I HA -0.325 3.829 4.170 -0.027 0.000 0.243 943 I C 2.456 178.605 176.117 0.054 0.000 1.080 943 I CA 1.392 62.713 61.300 0.036 0.000 1.339 943 I CB -0.338 37.717 38.000 0.092 0.000 1.039 943 I HN 0.330 nan 8.210 nan 0.000 0.409 944 L N 0.160 121.429 121.223 0.077 0.000 2.013 944 L HA -0.277 4.047 4.340 -0.027 0.000 0.212 944 L C 2.457 179.389 176.870 0.103 0.000 1.073 944 L CA 1.729 56.637 54.840 0.113 0.000 0.753 944 L CB -0.458 41.625 42.059 0.039 0.000 0.890 944 L HN 0.224 nan 8.230 nan 0.000 0.432 945 I N -1.405 119.173 120.570 0.013 0.000 2.133 945 I HA -0.255 3.899 4.170 -0.027 0.000 0.238 945 I C 2.436 178.503 176.117 -0.083 0.000 1.074 945 I CA 1.052 62.321 61.300 -0.051 0.000 1.342 945 I CB -0.356 37.597 38.000 -0.079 0.000 1.053 945 I HN -0.033 nan 8.210 nan 0.000 0.404 946 V N 1.152 121.029 119.914 -0.061 0.000 2.287 946 V HA -0.317 3.787 4.120 -0.027 0.000 0.248 946 V C 2.571 178.600 176.094 -0.107 0.000 1.053 946 V CA 2.366 64.624 62.300 -0.070 0.000 1.027 946 V CB -0.762 31.124 31.823 0.106 0.000 0.646 946 V HN 0.536 nan 8.190 nan 0.000 0.447 947 E N 0.474 120.599 120.200 -0.126 0.000 2.070 947 E HA -0.269 4.065 4.350 -0.027 0.000 0.197 947 E C 1.837 178.343 176.600 -0.158 0.000 1.004 947 E CA 2.202 58.477 56.400 -0.209 0.000 0.805 947 E CB -0.509 29.107 29.700 -0.141 0.000 0.744 947 E HN 0.549 nan 8.360 nan 0.000 0.451 948 F N 0.222 120.099 119.950 -0.122 0.000 2.293 948 F HA 0.218 4.729 4.527 -0.027 0.000 0.297 948 F C 2.375 178.093 175.800 -0.137 0.000 1.089 948 F CA 0.861 58.802 58.000 -0.098 0.000 1.377 948 F CB -0.557 38.389 39.000 -0.089 0.000 1.051 948 F HN 0.188 nan 8.300 nan 0.000 0.511 949 A N 0.058 122.830 122.820 -0.080 0.000 1.933 949 A HA -0.232 4.072 4.320 -0.027 0.000 0.218 949 A C 2.144 179.657 177.584 -0.119 0.000 1.175 949 A CA 1.945 53.814 52.037 -0.280 0.000 0.628 949 A CB -0.575 17.919 19.000 -0.843 0.000 0.814 949 A HN 0.273 nan 8.150 nan 0.000 0.444 950 K N 0.478 120.871 120.400 -0.013 0.000 2.025 950 K HA -0.144 4.160 4.320 -0.027 0.000 0.207 950 K C 1.336 177.969 176.600 0.056 0.000 1.049 950 K CA 2.015 58.379 56.287 0.129 0.000 0.933 950 K CB -0.366 32.190 32.500 0.094 0.000 0.714 950 K HN 0.383 nan 8.250 nan 0.000 0.438 951 D N 0.490 120.882 120.400 -0.014 0.000 2.117 951 D HA -0.130 4.494 4.640 -0.027 0.000 0.197 951 D C 1.868 178.173 176.300 0.008 0.000 0.987 951 D CA 1.246 55.231 54.000 -0.025 0.000 0.829 951 D CB -0.095 40.637 40.800 -0.113 0.000 0.961 951 D HN 0.251 nan 8.370 nan 0.000 0.460 952 L N -0.078 121.155 121.223 0.018 0.000 2.465 952 L HA 0.024 4.348 4.340 -0.027 0.000 0.224 952 L C 2.319 179.209 176.870 0.034 0.000 1.145 952 L CA 0.335 55.192 54.840 0.029 0.000 0.834 952 L CB -0.100 41.977 42.059 0.030 0.000 0.944 952 L HN -0.004 nan 8.230 nan 0.000 0.451 953 M N -1.371 118.259 119.600 0.051 0.000 2.615 953 M HA -0.014 4.450 4.480 -0.027 0.000 0.262 953 M C 1.131 177.472 176.300 0.068 0.000 1.198 953 M CA 0.930 56.274 55.300 0.073 0.000 1.165 953 M CB 0.404 33.082 32.600 0.131 0.000 1.310 953 M HN 0.066 nan 8.290 nan 0.000 0.494 954 D N 0.292 120.731 120.400 0.064 0.000 2.320 954 D HA 0.017 4.641 4.640 -0.027 0.000 0.228 954 D C 1.254 177.577 176.300 0.039 0.000 0.978 954 D CA 1.068 55.102 54.000 0.056 0.000 0.905 954 D CB 0.175 41.014 40.800 0.065 0.000 1.051 954 D HN 0.158 nan 8.370 nan 0.000 0.471 955 K N 0.430 120.849 120.400 0.030 0.000 2.404 955 K HA 0.123 4.427 4.320 -0.027 0.000 0.194 955 K C 1.083 177.696 176.600 0.021 0.000 1.023 955 K CA 0.287 56.587 56.287 0.022 0.000 1.094 955 K CB 0.949 33.458 32.500 0.014 0.000 0.841 955 K HN 0.110 nan 8.250 nan 0.000 0.523 956 E N -0.714 119.501 120.200 0.025 0.000 2.357 956 E HA 0.057 4.391 4.350 -0.027 0.000 0.202 956 E C 0.797 177.410 176.600 0.023 0.000 0.855 956 E CA 0.682 57.096 56.400 0.024 0.000 1.048 956 E CB 1.123 30.839 29.700 0.026 0.000 1.037 956 E HN 0.308 nan 8.360 nan 0.000 0.499 957 G N 2.355 111.171 108.800 0.027 0.000 2.135 957 G HA2 -0.186 3.758 3.960 -0.027 0.000 0.183 957 G HA3 -0.186 3.758 3.960 -0.027 0.000 0.183 957 G C -0.057 174.857 174.900 0.024 0.000 1.004 957 G CA 0.135 45.250 45.100 0.025 0.000 0.677 957 G HN 0.029 nan 8.290 nan 0.000 0.512 958 K N 0.568 120.983 120.400 0.026 0.000 2.168 958 K HA 0.580 4.884 4.320 -0.027 0.000 0.258 958 K C 1.368 177.986 176.600 0.030 0.000 1.010 958 K CA 0.583 56.883 56.287 0.021 0.000 0.929 958 K CB 0.659 33.167 32.500 0.014 0.000 0.998 958 K HN 0.394 nan 8.250 nan 0.000 0.479 959 G N 0.754 109.569 108.800 0.025 0.000 2.651 959 G HA2 0.052 3.996 3.960 -0.027 0.000 0.260 959 G HA3 0.052 3.996 3.960 -0.027 0.000 0.260 959 G C 0.675 175.606 174.900 0.051 0.000 1.216 959 G CA -0.437 44.683 45.100 0.034 0.000 0.913 959 G HN 0.569 nan 8.290 nan 0.000 0.535 960 L N 0.496 121.762 121.223 0.071 0.000 2.012 960 L HA -0.112 4.212 4.340 -0.027 0.000 0.210 960 L C 2.504 179.422 176.870 0.081 0.000 1.073 960 L CA 1.921 56.832 54.840 0.118 0.000 0.748 960 L CB -0.544 41.587 42.059 0.120 0.000 0.891 960 L HN 0.554 nan 8.230 nan 0.000 0.431 961 I N -0.715 119.877 120.570 0.037 0.000 2.406 961 I HA -0.143 4.011 4.170 -0.027 0.000 0.249 961 I C 2.303 178.405 176.117 -0.025 0.000 1.122 961 I CA 1.107 62.408 61.300 0.002 0.000 1.431 961 I CB -0.786 37.209 38.000 -0.008 0.000 1.087 961 I HN 0.250 nan 8.210 nan 0.000 0.424 962 E N 1.417 121.607 120.200 -0.017 0.000 2.028 962 E HA -0.133 4.201 4.350 -0.027 0.000 0.191 962 E C 2.436 179.011 176.600 -0.042 0.000 0.988 962 E CA 1.274 57.656 56.400 -0.029 0.000 0.799 962 E CB -0.326 29.365 29.700 -0.015 0.000 0.755 962 E HN 0.519 nan 8.360 nan 0.000 0.447 963 A N 1.344 124.145 122.820 -0.032 0.000 1.930 963 A HA -0.184 4.120 4.320 -0.027 0.000 0.217 963 A C 2.451 179.965 177.584 -0.118 0.000 1.175 963 A CA 2.057 54.064 52.037 -0.050 0.000 0.627 963 A CB -1.091 17.897 19.000 -0.020 0.000 0.815 963 A HN 0.394 nan 8.150 nan 0.000 0.443 964 T N -0.796 113.666 114.554 -0.154 0.000 2.708 964 T HA -0.113 4.221 4.350 -0.027 0.000 0.266 964 T C 1.848 176.437 174.700 -0.185 0.000 1.037 964 T CA 1.454 63.409 62.100 -0.242 0.000 1.146 964 T CB -0.602 68.144 68.868 -0.204 0.000 0.865 964 T HN 0.290 nan 8.240 nan 0.000 0.435 965 L N 1.072 122.212 121.223 -0.138 0.000 2.046 965 L HA -0.076 4.248 4.340 -0.027 0.000 0.208 965 L C 2.910 179.701 176.870 -0.131 0.000 1.077 965 L CA 1.582 56.340 54.840 -0.136 0.000 0.747 965 L CB -0.650 41.339 42.059 -0.117 0.000 0.896 965 L HN 0.221 nan 8.230 nan 0.000 0.432 966 D N -0.037 120.299 120.400 -0.106 0.000 2.182 966 D HA -0.169 4.455 4.640 -0.027 0.000 0.201 966 D C 2.055 178.298 176.300 -0.096 0.000 0.986 966 D CA 1.388 55.337 54.000 -0.086 0.000 0.847 966 D CB 0.283 41.052 40.800 -0.051 0.000 0.942 966 D HN 0.320 nan 8.370 nan 0.000 0.467 967 A N -0.003 122.751 122.820 -0.111 0.000 1.854 967 A HA -0.073 4.231 4.320 -0.027 0.000 0.214 967 A C 2.597 180.074 177.584 -0.177 0.000 1.192 967 A CA 1.267 53.228 52.037 -0.127 0.000 0.611 967 A CB -0.815 18.121 19.000 -0.106 0.000 0.832 967 A HN 0.143 nan 8.150 nan 0.000 0.442 968 V N 0.624 120.434 119.914 -0.173 0.000 2.324 968 V HA -0.290 3.814 4.120 -0.027 0.000 0.250 968 V C 2.664 178.662 176.094 -0.159 0.000 1.060 968 V CA 2.385 64.581 62.300 -0.173 0.000 1.042 968 V CB -0.895 30.816 31.823 -0.188 0.000 0.650 968 V HN 0.572 nan 8.190 nan 0.000 0.450 969 R N 0.532 120.938 120.500 -0.156 0.000 2.107 969 R HA -0.181 4.143 4.340 -0.027 0.000 0.223 969 R C 2.463 178.690 176.300 -0.121 0.000 1.138 969 R CA 2.482 58.492 56.100 -0.151 0.000 0.900 969 R CB -0.566 29.635 30.300 -0.166 0.000 0.814 969 R HN 0.647 nan 8.270 nan 0.000 0.437 970 M N -0.520 119.011 119.600 -0.115 0.000 2.629 970 M HA -0.031 4.433 4.480 -0.027 0.000 0.257 970 M C 1.196 177.420 176.300 -0.126 0.000 1.071 970 M CA 1.635 56.883 55.300 -0.087 0.000 1.077 970 M CB 0.130 32.685 32.600 -0.075 0.000 1.423 970 M HN 0.004 nan 8.290 nan 0.000 0.508 971 R N 0.620 121.014 120.500 -0.178 0.000 2.615 971 R HA 0.231 4.555 4.340 -0.027 0.000 0.448 971 R C 1.103 177.316 176.300 -0.145 0.000 1.009 971 R CA -0.143 55.817 56.100 -0.233 0.000 1.111 971 R CB 0.468 30.477 30.300 -0.484 0.000 1.461 971 R HN 0.406 nan 8.270 nan 0.000 0.587 972 L N 0.940 122.121 121.223 -0.070 0.000 2.093 972 L HA -0.097 4.227 4.340 -0.027 0.000 0.208 972 L C 2.128 179.054 176.870 0.094 0.000 1.085 972 L CA 1.855 56.688 54.840 -0.013 0.000 0.755 972 L CB -0.408 41.627 42.059 -0.039 0.000 0.904 972 L HN 0.275 nan 8.230 nan 0.000 0.435 973 R N 0.605 121.208 120.500 0.172 0.000 2.062 973 R HA -0.091 4.233 4.340 -0.027 0.000 0.231 973 R C -0.532 175.705 176.300 -0.104 0.000 1.136 973 R CA 1.745 57.959 56.100 0.190 0.000 0.948 973 R CB -1.131 29.307 30.300 0.230 0.000 0.845 973 R HN 0.278 nan 8.270 nan 0.000 0.430 974 P HA -0.143 nan 4.420 nan 0.000 0.222 974 P C 1.227 178.442 177.300 -0.143 0.000 1.147 974 P CA 1.270 64.268 63.100 -0.170 0.000 0.790 974 P CB -0.076 31.544 31.700 -0.132 0.000 0.780 975 I N -0.926 119.590 120.570 -0.090 0.000 2.142 975 I HA -0.238 3.916 4.170 -0.027 0.000 0.240 975 I C 2.381 178.467 176.117 -0.051 0.000 1.078 975 I CA 1.243 62.513 61.300 -0.050 0.000 1.343 975 I CB -0.763 37.228 38.000 -0.016 0.000 1.046 975 I HN -0.121 nan 8.210 nan 0.000 0.405 976 L N -0.282 120.917 121.223 -0.040 0.000 2.046 976 L HA -0.209 4.115 4.340 -0.027 0.000 0.208 976 L C 2.516 179.242 176.870 -0.240 0.000 1.077 976 L CA 1.816 56.644 54.840 -0.020 0.000 0.747 976 L CB -0.565 41.593 42.059 0.165 0.000 0.896 976 L HN 0.244 nan 8.230 nan 0.000 0.432 977 M N -1.797 117.453 119.600 -0.583 0.000 2.374 977 M HA -0.190 4.274 4.480 -0.027 0.000 0.264 977 M C 1.832 177.944 176.300 -0.314 0.000 1.067 977 M CA 1.410 56.244 55.300 -0.778 0.000 1.103 977 M CB -0.043 32.028 32.600 -0.882 0.000 1.402 977 M HN 0.235 nan 8.290 nan 0.000 0.444 978 T N -0.747 113.698 114.554 -0.182 0.000 2.983 978 T HA 0.034 4.368 4.350 -0.027 0.000 0.250 978 T C 1.739 176.443 174.700 0.005 0.000 1.037 978 T CA 1.230 63.288 62.100 -0.071 0.000 1.142 978 T CB 0.164 68.998 68.868 -0.057 0.000 0.876 978 T HN 0.370 nan 8.240 nan 0.000 0.455 979 S N 1.676 117.383 115.700 0.012 0.000 2.355 979 S HA 0.028 4.482 4.470 -0.027 0.000 0.222 979 S C 1.903 176.587 174.600 0.141 0.000 1.031 979 S CA 0.786 59.032 58.200 0.077 0.000 0.993 979 S CB -0.365 62.877 63.200 0.071 0.000 0.859 979 S HN 0.177 nan 8.310 nan 0.000 0.453 980 L N 1.696 122.982 121.223 0.105 0.000 2.131 980 L HA -0.007 4.317 4.340 -0.027 0.000 0.210 980 L C 2.543 179.479 176.870 0.111 0.000 1.092 980 L CA 1.308 56.223 54.840 0.125 0.000 0.759 980 L CB -0.882 41.266 42.059 0.149 0.000 0.903 980 L HN 0.302 nan 8.230 nan 0.000 0.435 981 A N -1.199 121.673 122.820 0.086 0.000 1.978 981 A HA -0.281 4.023 4.320 -0.027 0.000 0.220 981 A C 2.243 179.901 177.584 0.123 0.000 1.170 981 A CA 1.876 53.962 52.037 0.082 0.000 0.636 981 A CB -0.854 18.178 19.000 0.055 0.000 0.810 981 A HN 0.430 nan 8.150 nan 0.000 0.448 982 F N 0.083 120.046 119.950 0.021 0.000 2.219 982 F HA 0.047 4.558 4.527 -0.027 0.000 0.294 982 F C 1.892 177.713 175.800 0.035 0.000 1.086 982 F CA 1.217 59.234 58.000 0.028 0.000 1.330 982 F CB -0.102 38.915 39.000 0.029 0.000 1.047 982 F HN 0.141 nan 8.300 nan 0.000 0.495 983 I N 0.006 120.669 120.570 0.156 0.000 2.286 983 I HA -0.292 3.862 4.170 -0.027 0.000 0.248 983 I C 2.039 178.145 176.117 -0.017 0.000 1.115 983 I CA 1.299 62.644 61.300 0.074 0.000 1.392 983 I CB -0.433 37.648 38.000 0.135 0.000 1.065 983 I HN 0.161 nan 8.210 nan 0.000 0.418 984 L N -0.117 121.107 121.223 0.002 0.000 2.307 984 L HA 0.088 4.412 4.340 -0.027 0.000 0.211 984 L C 2.533 179.375 176.870 -0.046 0.000 1.099 984 L CA 0.794 55.632 54.840 -0.005 0.000 0.816 984 L CB -0.613 41.465 42.059 0.033 0.000 0.952 984 L HN 0.241 nan 8.230 nan 0.000 0.455 985 G N -0.697 108.050 108.800 -0.088 0.000 2.421 985 G HA2 -0.137 3.807 3.960 -0.027 0.000 0.217 985 G HA3 -0.137 3.807 3.960 -0.027 0.000 0.217 985 G C 1.398 176.188 174.900 -0.183 0.000 1.143 985 G CA 0.525 45.556 45.100 -0.114 0.000 0.784 985 G HN 0.187 nan 8.290 nan 0.000 0.541 986 V N 0.882 120.614 119.914 -0.305 0.000 3.541 986 V HA 0.108 4.212 4.120 -0.027 0.000 0.267 986 V C 2.395 178.396 176.094 -0.155 0.000 1.213 986 V CA 0.705 62.821 62.300 -0.306 0.000 1.149 986 V CB 0.087 31.575 31.823 -0.558 0.000 0.822 986 V HN 0.417 nan 8.190 nan 0.000 0.462 987 M N 0.861 120.398 119.600 -0.105 0.000 2.086 987 M HA -0.114 4.350 4.480 -0.027 0.000 0.261 987 M C -0.375 175.903 176.300 -0.037 0.000 1.067 987 M CA 2.379 57.650 55.300 -0.049 0.000 1.116 987 M CB -0.883 31.704 32.600 -0.022 0.000 1.348 987 M HN 0.257 nan 8.290 nan 0.000 0.407 988 P HA -0.152 nan 4.420 nan 0.000 0.216 988 P C 1.493 178.776 177.300 -0.029 0.000 1.150 988 P CA 1.303 64.386 63.100 -0.029 0.000 0.843 988 P CB -0.229 31.452 31.700 -0.032 0.000 0.787 989 L N -1.235 119.964 121.223 -0.040 0.000 2.012 989 L HA -0.175 4.149 4.340 -0.027 0.000 0.210 989 L C 2.395 179.240 176.870 -0.042 0.000 1.073 989 L CA 1.460 56.274 54.840 -0.044 0.000 0.748 989 L CB -1.240 40.775 42.059 -0.074 0.000 0.891 989 L HN -0.129 nan 8.230 nan 0.000 0.431 990 V N -0.574 119.318 119.914 -0.036 0.000 2.343 990 V HA -0.209 3.895 4.120 -0.027 0.000 0.247 990 V C 1.509 177.603 176.094 0.000 0.000 1.051 990 V CA 1.184 63.475 62.300 -0.015 0.000 1.036 990 V CB -0.111 31.709 31.823 -0.006 0.000 0.654 990 V HN 0.317 nan 8.190 nan 0.000 0.451 991 I N 0.812 121.382 120.570 -0.000 0.000 3.207 991 I HA 0.285 4.439 4.170 -0.027 0.000 0.343 991 I C 0.467 176.588 176.117 0.007 0.000 1.378 991 I CA 0.329 61.635 61.300 0.010 0.000 1.004 991 I CB 0.233 38.242 38.000 0.015 0.000 1.836 991 I HN 0.189 nan 8.210 nan 0.000 0.513 992 S N 1.556 117.259 115.700 0.003 0.000 2.439 992 S HA 0.324 4.778 4.470 -0.027 0.000 0.282 992 S C 0.421 175.029 174.600 0.013 0.000 1.170 992 S CA -0.089 58.111 58.200 0.001 0.000 1.054 992 S CB 0.135 63.332 63.200 -0.004 0.000 0.956 992 S HN 0.457 nan 8.310 nan 0.000 0.490 993 T N 4.521 119.083 114.554 0.014 0.000 3.368 993 T HA 0.619 4.952 4.350 -0.027 0.000 0.321 993 T C 0.235 174.952 174.700 0.028 0.000 1.830 993 T CA -0.455 61.663 62.100 0.029 0.000 1.494 993 T CB 0.273 69.160 68.868 0.033 0.000 1.045 993 T HN 0.777 nan 8.240 nan 0.000 0.729 994 G N 0.475 109.287 108.800 0.019 0.000 2.559 994 G HA2 0.639 4.583 3.960 -0.027 0.000 0.291 994 G HA3 0.639 4.583 3.960 -0.027 0.000 0.291 994 G C -1.119 173.758 174.900 -0.039 0.000 1.424 994 G CA -0.685 44.410 45.100 -0.008 0.000 0.786 994 G HN 0.528 nan 8.290 nan 0.000 0.485 995 A N -0.945 121.775 122.820 -0.167 0.000 2.540 995 A HA 0.556 4.860 4.320 -0.027 0.000 0.239 995 A C 1.588 179.075 177.584 -0.162 0.000 1.061 995 A CA 1.594 53.473 52.037 -0.263 0.000 0.758 995 A CB -0.228 18.177 19.000 -0.991 0.000 0.991 995 A HN 2.813 nan 8.150 nan 0.000 0.502 996 G N 1.152 109.997 108.800 0.076 0.000 2.157 996 G HA2 -0.240 3.704 3.960 -0.027 0.000 0.239 996 G HA3 -0.240 3.704 3.960 -0.027 0.000 0.239 996 G C 1.222 176.186 174.900 0.108 0.000 0.982 996 G CA 1.096 46.257 45.100 0.101 0.000 0.650 996 G HN 2.064 nan 8.290 nan 0.000 0.527 997 S N -0.055 115.695 115.700 0.083 0.000 2.383 997 S HA 0.145 4.599 4.470 -0.027 0.000 0.227 997 S C 2.614 177.252 174.600 0.063 0.000 1.026 997 S CA 1.649 59.883 58.200 0.058 0.000 0.981 997 S CB -0.791 62.438 63.200 0.048 0.000 0.818 997 S HN 1.694 nan 8.310 nan 0.000 0.472 998 G N 2.158 111.023 108.800 0.109 0.000 2.649 998 G HA2 -0.217 3.727 3.960 -0.027 0.000 0.220 998 G HA3 -0.217 3.727 3.960 -0.027 0.000 0.220 998 G C 1.739 176.689 174.900 0.084 0.000 1.189 998 G CA 1.668 46.837 45.100 0.116 0.000 0.777 998 G HN 0.901 nan 8.290 nan 0.000 0.602 999 A N -0.104 122.774 122.820 0.098 0.000 1.877 999 A HA -0.075 4.229 4.320 -0.027 0.000 0.216 999 A C 2.380 179.669 177.584 -0.492 0.000 1.186 999 A CA 2.028 53.983 52.037 -0.136 0.000 0.620 999 A CB -0.539 18.509 19.000 0.079 0.000 0.822 999 A HN 0.493 nan 8.150 nan 0.000 0.443 1000 Q N -0.204 119.451 119.800 -0.241 0.000 2.077 1000 Q HA -0.219 4.105 4.340 -0.027 0.000 0.206 1000 Q C 2.033 177.898 176.000 -0.226 0.000 0.989 1000 Q CA 1.677 57.329 55.803 -0.251 0.000 0.853 1000 Q CB -0.418 28.316 28.738 -0.006 0.000 0.907 1000 Q HN 0.736 nan 8.270 nan 0.000 0.418 1001 N N 0.216 118.849 118.700 -0.112 0.000 2.061 1001 N HA -0.199 4.525 4.740 -0.027 0.000 0.193 1001 N C 1.854 177.327 175.510 -0.061 0.000 1.030 1001 N CA 1.149 54.164 53.050 -0.057 0.000 0.856 1001 N CB -0.131 38.353 38.487 -0.005 0.000 1.023 1001 N HN 0.217 nan 8.380 nan 0.000 0.424 1002 A N 1.071 123.844 122.820 -0.078 0.000 1.877 1002 A HA -0.094 4.210 4.320 -0.027 0.000 0.216 1002 A C 2.524 180.091 177.584 -0.028 0.000 1.186 1002 A CA 1.285 53.327 52.037 0.008 0.000 0.620 1002 A CB -0.791 18.298 19.000 0.149 0.000 0.822 1002 A HN 0.115 nan 8.150 nan 0.000 0.443 1003 V N -0.255 119.482 119.914 -0.295 0.000 2.261 1003 V HA -0.163 3.941 4.120 -0.027 0.000 0.246 1003 V C 2.768 178.803 176.094 -0.098 0.000 1.047 1003 V CA 2.125 64.266 62.300 -0.264 0.000 1.015 1003 V CB -1.449 30.024 31.823 -0.583 0.000 0.642 1003 V HN 0.604 nan 8.190 nan 0.000 0.446 1004 G N -0.889 107.842 108.800 -0.115 0.000 2.395 1004 G HA2 -0.158 3.786 3.960 -0.027 0.000 0.214 1004 G HA3 -0.158 3.786 3.960 -0.027 0.000 0.214 1004 G C 1.673 176.576 174.900 0.006 0.000 1.177 1004 G CA 1.179 46.243 45.100 -0.060 0.000 0.794 1004 G HN 0.426 nan 8.290 nan 0.000 0.532 1005 T N 1.252 115.821 114.554 0.024 0.000 2.597 1005 T HA -0.162 4.172 4.350 -0.027 0.000 0.267 1005 T C 2.458 177.226 174.700 0.113 0.000 1.053 1005 T CA 1.906 64.044 62.100 0.063 0.000 1.165 1005 T CB -0.838 68.071 68.868 0.068 0.000 0.863 1005 T HN 0.356 nan 8.240 nan 0.000 0.427 1006 G N 0.242 109.151 108.800 0.183 0.000 2.421 1006 G HA2 -0.173 3.771 3.960 -0.027 0.000 0.216 1006 G HA3 -0.173 3.771 3.960 -0.027 0.000 0.216 1006 G C 1.748 176.718 174.900 0.115 0.000 1.171 1006 G CA 0.870 46.123 45.100 0.255 0.000 0.775 1006 G HN 0.437 nan 8.290 nan 0.000 0.543 1007 V N 0.739 120.712 119.914 0.099 0.000 2.379 1007 V HA -0.072 4.032 4.120 -0.027 0.000 0.245 1007 V C 2.641 178.881 176.094 0.243 0.000 1.044 1007 V CA 2.179 64.572 62.300 0.155 0.000 1.036 1007 V CB -0.087 31.883 31.823 0.245 0.000 0.664 1007 V HN 0.454 nan 8.190 nan 0.000 0.453 1008 M N -0.064 119.643 119.600 0.178 0.000 2.080 1008 M HA -0.147 4.317 4.480 -0.027 0.000 0.260 1008 M C 2.004 178.383 176.300 0.131 0.000 1.068 1008 M CA 2.502 57.891 55.300 0.148 0.000 1.109 1008 M CB -0.865 31.764 32.600 0.047 0.000 1.342 1008 M HN 0.457 nan 8.290 nan 0.000 0.405 1009 G N -1.045 107.813 108.800 0.097 0.000 2.408 1009 G HA2 -0.137 3.807 3.960 -0.027 0.000 0.217 1009 G HA3 -0.137 3.807 3.960 -0.027 0.000 0.217 1009 G C 1.389 176.328 174.900 0.064 0.000 1.150 1009 G CA 0.877 46.016 45.100 0.065 0.000 0.776 1009 G HN 0.613 nan 8.290 nan 0.000 0.542 1010 G N 0.701 109.545 108.800 0.072 0.000 2.421 1010 G HA2 -0.218 3.726 3.960 -0.027 0.000 0.216 1010 G HA3 -0.218 3.726 3.960 -0.027 0.000 0.216 1010 G C 1.751 176.677 174.900 0.043 0.000 1.171 1010 G CA 1.419 46.541 45.100 0.037 0.000 0.775 1010 G HN 0.389 nan 8.290 nan 0.000 0.543 1011 M N 0.570 120.222 119.600 0.087 0.000 2.117 1011 M HA 0.045 4.509 4.480 -0.027 0.000 0.262 1011 M C 2.481 178.841 176.300 0.099 0.000 1.065 1011 M CA 1.068 56.419 55.300 0.085 0.000 1.114 1011 M CB -0.491 32.227 32.600 0.196 0.000 1.361 1011 M HN 0.017 nan 8.290 nan 0.000 0.408 1012 V N 0.308 120.287 119.914 0.109 0.000 2.252 1012 V HA -0.350 3.754 4.120 -0.027 0.000 0.249 1012 V C 2.477 178.626 176.094 0.092 0.000 1.056 1012 V CA 2.527 64.887 62.300 0.100 0.000 1.022 1012 V CB -1.538 30.331 31.823 0.078 0.000 0.641 1012 V HN 0.777 nan 8.190 nan 0.000 0.445 1013 T N -1.719 112.876 114.554 0.068 0.000 2.985 1013 T HA 0.048 4.382 4.350 -0.027 0.000 0.266 1013 T C 1.739 176.488 174.700 0.081 0.000 1.076 1013 T CA 1.009 63.149 62.100 0.067 0.000 1.135 1013 T CB -0.311 68.576 68.868 0.032 0.000 0.890 1013 T HN 0.456 nan 8.240 nan 0.000 0.480 1014 A N 1.595 124.454 122.820 0.065 0.000 2.239 1014 A HA 0.137 4.440 4.320 -0.027 0.000 0.209 1014 A C 2.439 180.074 177.584 0.084 0.000 1.171 1014 A CA 1.549 53.623 52.037 0.062 0.000 0.768 1014 A CB -0.890 18.121 19.000 0.018 0.000 0.790 1014 A HN 0.729 nan 8.150 nan 0.000 0.478 1015 T N -5.336 109.282 114.554 0.107 0.000 3.098 1015 T HA 0.058 4.392 4.350 -0.027 0.000 0.246 1015 T C 1.622 176.430 174.700 0.180 0.000 0.983 1015 T CA 0.983 63.157 62.100 0.124 0.000 1.094 1015 T CB -0.466 68.471 68.868 0.116 0.000 1.035 1015 T HN -0.049 nan 8.240 nan 0.000 0.456 1016 V N 1.795 121.831 119.914 0.202 0.000 2.307 1016 V HA 0.015 4.119 4.120 -0.027 0.000 0.245 1016 V C 2.671 178.980 176.094 0.357 0.000 1.045 1016 V CA 1.424 63.890 62.300 0.277 0.000 1.024 1016 V CB -0.699 31.252 31.823 0.212 0.000 0.651 1016 V HN 0.315 nan 8.190 nan 0.000 0.449 1017 L N 0.099 121.484 121.223 0.270 0.000 2.217 1017 L HA 0.008 4.332 4.340 -0.027 0.000 0.211 1017 L C 2.461 179.581 176.870 0.416 0.000 1.107 1017 L CA 1.924 56.961 54.840 0.328 0.000 0.783 1017 L CB -1.144 41.009 42.059 0.156 0.000 0.919 1017 L HN 0.279 nan 8.230 nan 0.000 0.442 1018 A N 0.422 123.409 122.820 0.278 0.000 1.854 1018 A HA -0.126 4.178 4.320 -0.027 0.000 0.214 1018 A C 1.998 179.664 177.584 0.136 0.000 1.192 1018 A CA 1.493 53.658 52.037 0.214 0.000 0.611 1018 A CB -0.874 18.214 19.000 0.146 0.000 0.832 1018 A HN 0.477 nan 8.150 nan 0.000 0.442 1019 I N -4.429 116.173 120.570 0.052 0.000 3.387 1019 I HA 0.013 4.167 4.170 -0.027 0.000 0.298 1019 I C 1.177 176.992 176.117 -0.502 0.000 1.311 1019 I CA 1.041 62.224 61.300 -0.195 0.000 1.318 1019 I CB -0.442 37.424 38.000 -0.223 0.000 1.023 1019 I HN 0.196 nan 8.210 nan 0.000 0.540 1020 F N -0.817 119.103 119.950 -0.049 0.000 2.581 1020 F HA 0.289 4.800 4.527 -0.027 0.000 0.278 1020 F C 1.674 177.273 175.800 -0.335 0.000 1.000 1020 F CA 0.077 57.962 58.000 -0.192 0.000 1.230 1020 F CB -0.225 38.672 39.000 -0.171 0.000 1.008 1020 F HN -0.139 nan 8.300 nan 0.000 0.695 1021 F N -0.066 119.820 119.950 -0.107 0.000 2.317 1021 F HA -0.036 4.475 4.527 -0.026 0.000 0.293 1021 F C 2.206 177.378 175.800 -1.048 0.000 1.085 1021 F CA 0.725 58.416 58.000 -0.515 0.000 1.390 1021 F CB -0.615 38.158 39.000 -0.377 0.000 1.077 1021 F HN -0.316 nan 8.300 nan 0.000 0.517 1022 V N 1.854 121.534 119.914 -0.389 0.000 2.252 1022 V HA -0.263 3.841 4.120 -0.027 0.000 0.249 1022 V C -0.323 175.684 176.094 -0.144 0.000 1.056 1022 V CA 2.238 64.425 62.300 -0.189 0.000 1.022 1022 V CB -1.999 29.849 31.823 0.042 0.000 0.641 1022 V HN 0.170 nan 8.190 nan 0.000 0.445 1023 P HA -0.097 nan 4.420 nan 0.000 0.218 1023 P C 1.835 179.092 177.300 -0.071 0.000 1.148 1023 P CA 1.368 64.400 63.100 -0.113 0.000 0.822 1023 P CB -0.115 31.478 31.700 -0.179 0.000 0.784 1024 V N -0.505 119.280 119.914 -0.215 0.000 2.358 1024 V HA -0.203 3.901 4.120 -0.027 0.000 0.246 1024 V C 2.513 178.623 176.094 0.027 0.000 1.047 1024 V CA 1.676 63.882 62.300 -0.157 0.000 1.035 1024 V CB -1.608 30.050 31.823 -0.275 0.000 0.658 1024 V HN -0.004 nan 8.190 nan 0.000 0.452 1025 F N -0.909 119.071 119.950 0.050 0.000 2.161 1025 F HA -0.225 4.286 4.527 -0.027 0.000 0.300 1025 F C 2.276 178.109 175.800 0.056 0.000 1.089 1025 F CA 1.776 59.789 58.000 0.023 0.000 1.282 1025 F CB -0.445 38.568 39.000 0.022 0.000 1.010 1025 F HN 0.152 nan 8.300 nan 0.000 0.485 1026 F N 0.575 120.605 119.950 0.133 0.000 2.098 1026 F HA -0.167 4.344 4.527 -0.027 0.000 0.294 1026 F C 2.227 178.052 175.800 0.042 0.000 1.107 1026 F CA 1.268 59.307 58.000 0.066 0.000 1.234 1026 F CB -0.506 38.507 39.000 0.022 0.000 1.002 1026 F HN -0.328 nan 8.300 nan 0.000 0.472 1027 V N -0.473 119.599 119.914 0.265 0.000 2.358 1027 V HA -0.274 3.829 4.120 -0.027 0.000 0.246 1027 V C 2.287 178.415 176.094 0.056 0.000 1.047 1027 V CA 1.597 63.991 62.300 0.155 0.000 1.035 1027 V CB -0.675 31.213 31.823 0.108 0.000 0.658 1027 V HN 0.252 nan 8.190 nan 0.000 0.452 1028 V N -0.265 119.682 119.914 0.056 0.000 2.261 1028 V HA -0.217 3.887 4.120 -0.027 0.000 0.246 1028 V C 2.408 178.501 176.094 -0.002 0.000 1.047 1028 V CA 2.014 64.335 62.300 0.034 0.000 1.015 1028 V CB -0.468 31.390 31.823 0.058 0.000 0.642 1028 V HN 0.406 nan 8.190 nan 0.000 0.446 1029 V N -0.427 119.471 119.914 -0.026 0.000 2.427 1029 V HA -0.168 3.936 4.120 -0.027 0.000 0.248 1029 V C 2.647 178.695 176.094 -0.076 0.000 1.051 1029 V CA 1.515 63.771 62.300 -0.074 0.000 1.048 1029 V CB -0.817 30.949 31.823 -0.096 0.000 0.666 1029 V HN 0.406 nan 8.190 nan 0.000 0.456 1030 R N 0.539 120.962 120.500 -0.127 0.000 2.159 1030 R HA -0.088 4.236 4.340 -0.027 0.000 0.237 1030 R C 1.948 178.254 176.300 0.010 0.000 1.131 1030 R CA 1.050 57.100 56.100 -0.083 0.000 0.982 1030 R CB -0.403 29.812 30.300 -0.141 0.000 0.868 1030 R HN 0.490 nan 8.270 nan 0.000 0.453 1031 R N 0.240 120.741 120.500 0.003 0.000 2.404 1031 R HA 0.095 4.419 4.340 -0.027 0.000 0.236 1031 R C 0.593 176.902 176.300 0.015 0.000 1.044 1031 R CA 0.270 56.378 56.100 0.013 0.000 1.133 1031 R CB 0.222 30.528 30.300 0.010 0.000 1.142 1031 R HN 0.008 nan 8.270 nan 0.000 0.512 1032 R N -0.640 119.882 120.500 0.036 0.000 2.517 1032 R HA 0.184 4.508 4.340 -0.027 0.000 0.434 1032 R C -1.232 175.163 176.300 0.159 0.000 0.884 1032 R CA -0.160 55.968 56.100 0.046 0.000 1.090 1032 R CB 0.552 30.847 30.300 -0.008 0.000 1.601 1032 R HN 0.014 nan 8.270 nan 0.000 0.579 1033 F N 0.000 119.930 119.950 -0.033 0.000 2.286 1033 F HA 0.000 4.511 4.527 -0.027 0.000 0.279 1033 F CA 0.000 57.999 58.000 -0.002 0.000 1.383 1033 F CB 0.000 39.006 39.000 0.010 0.000 1.145 1033 F HN 0.000 nan 8.300 nan 0.000 0.574