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 2i6w_1_A DATA FIRST_RESID 1 DATA SEQUENCE MPNFFIDRPI FAWVIAIIIM LAGGLAILKL PVAQYPTIAP PAVTISASYP DATA SEQUENCE GADAKTVQDT VTQVIEQNMN GIDNLMYMSS NSDSTGTVQI TLTFESGTDA DATA SEQUENCE DIAQVQVQNK LQLAMPLLPQ EVQQQGVSVE KSSSSFLMVV GVINTDGTMT DATA SEQUENCE QEDISDYVAA NMKDAISRTS GVGDVQLFGS QYAMRIWMNP NELNKFQLTP DATA SEQUENCE VDVITAIKAQ NAQVAAGQLG GTPPVKGQQL NASIIAQTRL TSTEEFGKIL DATA SEQUENCE LKVNQDGSRV LLRDVAKIEL GGENYDIIAE FNGQPASGLG IKLATGANAL DATA SEQUENCE DTAAAIRAEL AKMEPFFPSG LKIVYPYDTT PFVKISIHEV VKTLVEAIIL DATA SEQUENCE VFLVMYLFLQ NFRATLIPTI AVPVVLLGTF AVLAAFGFSI NTLTMFGMVL DATA SEQUENCE AIGLLVDDAI VVVENVERVM AEEGLPPKEA TRKSMGQIQG ALVGIAMVLS DATA SEQUENCE AVFVPMAFFG GSTGAIYRQF SITIVSAMAL SVLVALILTP ALCATMLKPX DATA SEQUENCE XXXXXXXXXX GFFGWFNRMF EKSTHHYTDS VGGILRSTGR YLVLYLIIVV DATA SEQUENCE GMAYLFVRLP SSFLPDEDQG VFMTMVQLPA GATQERTQKV LNEVTHYYLT DATA SEQUENCE KEKNNVESVF AVNGFGFAGR GQNTGIAFVS LKDWADRPGE ENKVEAITMR DATA SEQUENCE ATRAFSQIKD AMVFAFNLPA IVELGTATGF DFELIDQAGL GHEKLTQARN DATA SEQUENCE QLLAEAAKHP DMLTSVRPNG LEDTPQFKID IDQEKAQALG VSINDINTTL DATA SEQUENCE GAAWGGSYVN DFIDRGRVKK VYVMSEAKYR MLPDDIGDWY VRAADGQMVP DATA SEQUENCE FSAFSSSRWE YGSPRLERYN GLPSMEILGQ AAPGKSTGEA MELMEQLASK DATA SEQUENCE LPTGVGYDWT GMSYQERLSG NQAPSLYAIS LIVVFLCLAA LYESWSIPFS DATA SEQUENCE VMLVVPLGVI GALLAATFRG LTNDVYFQVG LLTTIGLSAK NAILIVEFAK DATA SEQUENCE DLMDKEGKGL IEATLDAVRM RLRPILMTSL AFILGVMPLV ISTGAGSGAQ DATA SEQUENCE NAVGTGVMGG MVTATVLAIF FVPVFFVVVR 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.290 176.300 -0.017 0.000 1.140 1 M CA 0.000 55.296 55.300 -0.007 0.000 0.988 1 M CB 0.000 32.590 32.600 -0.017 0.000 1.302 2 P HA 0.409 nan 4.420 nan 0.000 0.265 2 P C -0.213 177.061 177.300 -0.043 0.000 1.222 2 P CA 0.736 63.816 63.100 -0.033 0.000 0.767 2 P CB 0.440 32.130 31.700 -0.016 0.000 0.801 3 N N 0.944 119.565 118.700 -0.133 0.000 6.891 3 N HA -0.186 4.554 4.740 -0.001 0.000 0.420 3 N C -0.626 174.746 175.510 -0.230 0.000 0.939 3 N CA 0.321 53.219 53.050 -0.253 0.000 1.300 3 N CB -0.892 37.572 38.487 -0.040 0.000 0.824 3 N HN 0.216 nan 8.380 nan 0.000 0.284 4 F N 1.811 121.794 119.950 0.055 0.000 2.490 4 F HA 0.237 4.763 4.527 -0.001 0.000 0.357 4 F C 1.471 177.329 175.800 0.096 0.000 1.166 4 F CA -0.502 57.547 58.000 0.081 0.000 1.116 4 F CB -0.594 38.431 39.000 0.042 0.000 1.171 4 F HN 0.365 nan 8.300 nan 0.000 0.576 5 F N 3.896 123.920 119.950 0.123 0.000 2.705 5 F HA 0.032 4.559 4.527 -0.001 0.000 0.311 5 F C 0.906 176.762 175.800 0.094 0.000 1.227 5 F CA -0.493 57.556 58.000 0.080 0.000 1.356 5 F CB 0.218 39.251 39.000 0.056 0.000 1.124 5 F HN 0.336 nan 8.300 nan 0.000 0.605 6 I N 1.276 120.965 120.570 -1.468 0.000 3.194 6 I HA -0.034 4.135 4.170 -0.001 0.000 0.195 6 I C 0.476 176.131 176.117 -0.770 0.000 1.367 6 I CA 0.656 61.310 61.300 -1.077 0.000 0.832 6 I CB -0.132 37.209 38.000 -1.098 0.000 1.698 6 I HN 0.716 nan 8.210 nan 0.000 0.987 7 D N -0.948 119.218 120.400 -0.389 0.000 2.989 7 D HA 0.471 5.110 4.640 -0.001 0.000 0.284 7 D C -1.128 175.199 176.300 0.045 0.000 1.212 7 D CA -0.480 53.473 54.000 -0.079 0.000 1.055 7 D CB 0.915 41.694 40.800 -0.034 0.000 1.351 7 D HN 0.209 nan 8.370 nan 0.000 0.611 8 R N 0.971 121.542 120.500 0.119 0.000 2.371 8 R HA 0.352 4.691 4.340 -0.001 0.000 0.312 8 R C -1.815 174.576 176.300 0.153 0.000 0.980 8 R CA -1.235 54.956 56.100 0.152 0.000 0.867 8 R CB 1.461 31.878 30.300 0.194 0.000 1.163 8 R HN 0.103 nan 8.270 nan 0.000 0.492 9 P HA -0.336 nan 4.420 nan 0.000 0.216 9 P C 1.096 178.601 177.300 0.342 0.000 1.151 9 P CA 1.641 64.853 63.100 0.187 0.000 0.953 9 P CB 0.197 32.057 31.700 0.265 0.000 0.789 10 I N -1.404 119.398 120.570 0.387 0.000 2.087 10 I HA -0.281 3.888 4.170 -0.001 0.000 0.240 10 I C 2.625 178.932 176.117 0.316 0.000 1.054 10 I CA 1.922 63.448 61.300 0.377 0.000 1.311 10 I CB -1.123 37.001 38.000 0.207 0.000 1.024 10 I HN -0.137 nan 8.210 nan 0.000 0.402 11 F N 1.799 121.827 119.950 0.130 0.000 2.287 11 F HA -0.236 4.291 4.527 -0.001 0.000 0.301 11 F C 2.176 178.012 175.800 0.061 0.000 1.069 11 F CA 1.022 59.073 58.000 0.085 0.000 1.372 11 F CB -0.415 38.623 39.000 0.064 0.000 1.056 11 F HN 0.038 nan 8.300 nan 0.000 0.523 12 A N -0.568 122.148 122.820 -0.173 0.000 1.844 12 A HA -0.066 4.253 4.320 -0.001 0.000 0.212 12 A C 2.071 179.537 177.584 -0.195 0.000 1.221 12 A CA 0.904 52.739 52.037 -0.335 0.000 0.607 12 A CB -1.664 17.157 19.000 -0.297 0.000 0.878 12 A HN 0.502 nan 8.150 nan 0.000 0.451 13 W N 0.242 121.459 121.300 -0.138 0.000 2.244 13 W HA -0.341 4.318 4.660 -0.001 0.000 0.336 13 W C 2.273 178.729 176.519 -0.106 0.000 1.352 13 W CA 2.240 59.527 57.345 -0.096 0.000 1.343 13 W CB -0.863 28.566 29.460 -0.051 0.000 1.111 13 W HN 0.177 nan 8.180 nan 0.000 0.481 14 V N 0.199 120.212 119.914 0.165 0.000 2.250 14 V HA -0.389 3.730 4.120 -0.001 0.000 0.250 14 V C 2.060 178.138 176.094 -0.027 0.000 1.060 14 V CA 1.944 64.279 62.300 0.059 0.000 1.030 14 V CB -1.091 30.759 31.823 0.045 0.000 0.643 14 V HN 0.152 nan 8.190 nan 0.000 0.445 15 I N 0.156 120.638 120.570 -0.147 0.000 2.248 15 I HA -0.275 3.894 4.170 -0.001 0.000 0.248 15 I C 2.609 178.661 176.117 -0.108 0.000 1.107 15 I CA 1.996 63.192 61.300 -0.173 0.000 1.373 15 I CB -1.602 36.223 38.000 -0.291 0.000 1.055 15 I HN 0.357 nan 8.210 nan 0.000 0.418 16 A N 1.675 124.442 122.820 -0.089 0.000 1.829 16 A HA -0.192 4.127 4.320 -0.001 0.000 0.216 16 A C 2.181 179.769 177.584 0.007 0.000 1.207 16 A CA 1.508 53.515 52.037 -0.050 0.000 0.622 16 A CB -0.818 18.169 19.000 -0.021 0.000 0.846 16 A HN 0.226 nan 8.150 nan 0.000 0.447 17 I N 0.355 120.963 120.570 0.064 0.000 2.280 17 I HA -0.368 3.801 4.170 -0.001 0.000 0.226 17 I C 2.485 178.616 176.117 0.023 0.000 0.970 17 I CA 2.034 63.368 61.300 0.057 0.000 1.279 17 I CB -1.776 36.262 38.000 0.063 0.000 0.984 17 I HN 0.425 nan 8.210 nan 0.000 0.382 18 I N 0.472 121.049 120.570 0.011 0.000 2.151 18 I HA -0.410 3.759 4.170 -0.001 0.000 0.236 18 I C 2.674 178.790 176.117 -0.002 0.000 1.000 18 I CA 2.122 63.424 61.300 0.002 0.000 1.285 18 I CB -0.560 37.436 38.000 -0.008 0.000 0.994 18 I HN 0.241 nan 8.210 nan 0.000 0.396 19 I N -0.214 120.347 120.570 -0.016 0.000 2.185 19 I HA -0.387 3.782 4.170 -0.001 0.000 0.246 19 I C 2.702 178.822 176.117 0.006 0.000 1.088 19 I CA 1.776 63.066 61.300 -0.016 0.000 1.347 19 I CB -0.268 37.706 38.000 -0.042 0.000 1.041 19 I HN 0.320 nan 8.210 nan 0.000 0.415 20 M N -0.235 119.372 119.600 0.011 0.000 2.059 20 M HA -0.232 4.247 4.480 -0.001 0.000 0.259 20 M C 2.452 178.764 176.300 0.021 0.000 1.072 20 M CA 1.927 57.242 55.300 0.025 0.000 1.117 20 M CB -0.571 32.047 32.600 0.031 0.000 1.320 20 M HN 0.216 nan 8.290 nan 0.000 0.408 21 L N 0.126 121.358 121.223 0.015 0.000 1.997 21 L HA -0.277 4.062 4.340 -0.001 0.000 0.216 21 L C 2.805 179.679 176.870 0.007 0.000 1.074 21 L CA 1.536 56.381 54.840 0.008 0.000 0.763 21 L CB -0.917 41.147 42.059 0.008 0.000 0.890 21 L HN 0.367 nan 8.230 nan 0.000 0.434 22 A N 0.291 123.117 122.820 0.010 0.000 1.862 22 A HA -0.268 4.051 4.320 -0.001 0.000 0.214 22 A C 2.358 179.955 177.584 0.021 0.000 1.228 22 A CA 2.274 54.318 52.037 0.012 0.000 0.665 22 A CB -1.727 17.279 19.000 0.010 0.000 0.845 22 A HN 0.473 nan 8.150 nan 0.000 0.459 23 G N -1.127 107.698 108.800 0.042 0.000 2.547 23 G HA2 -0.145 3.814 3.960 -0.001 0.000 0.221 23 G HA3 -0.145 3.814 3.960 -0.001 0.000 0.221 23 G C 1.576 176.496 174.900 0.032 0.000 1.140 23 G CA 1.683 46.836 45.100 0.089 0.000 0.760 23 G HN 1.011 nan 8.290 nan 0.000 0.583 24 G N 1.232 110.032 108.800 0.000 0.000 2.446 24 G HA2 -0.123 3.836 3.960 -0.001 0.000 0.217 24 G HA3 -0.123 3.836 3.960 -0.001 0.000 0.217 24 G C 1.739 176.595 174.900 -0.074 0.000 1.168 24 G CA 1.304 46.370 45.100 -0.058 0.000 0.771 24 G HN 0.892 nan 8.290 nan 0.000 0.551 25 L N -0.622 120.578 121.223 -0.038 0.000 2.610 25 L HA 0.580 4.919 4.340 -0.001 0.000 0.232 25 L C 2.280 179.131 176.870 -0.032 0.000 1.149 25 L CA 1.309 56.128 54.840 -0.035 0.000 0.872 25 L CB -0.169 41.879 42.059 -0.018 0.000 0.992 25 L HN 0.092 nan 8.230 nan 0.000 0.447 26 A N -0.702 122.101 122.820 -0.027 0.000 2.218 26 A HA 0.301 4.620 4.320 -0.001 0.000 0.209 26 A C 2.052 179.612 177.584 -0.040 0.000 1.168 26 A CA 0.780 52.816 52.037 -0.002 0.000 0.804 26 A CB -0.410 18.621 19.000 0.052 0.000 0.834 26 A HN 0.511 nan 8.150 nan 0.000 0.482 27 I N -1.399 119.094 120.570 -0.128 0.000 2.900 27 I HA 0.018 4.187 4.170 -0.001 0.000 0.251 27 I C 0.627 176.666 176.117 -0.130 0.000 1.102 27 I CA 0.257 61.428 61.300 -0.216 0.000 1.457 27 I CB 0.038 37.780 38.000 -0.430 0.000 1.285 27 I HN 0.097 nan 8.210 nan 0.000 0.459 28 L N 1.598 122.754 121.223 -0.112 0.000 2.949 28 L HA -0.042 4.298 4.340 -0.001 0.000 0.263 28 L C 0.796 177.637 176.870 -0.048 0.000 1.190 28 L CA 1.467 56.262 54.840 -0.075 0.000 1.022 28 L CB -1.183 40.837 42.059 -0.065 0.000 1.313 28 L HN 0.182 nan 8.230 nan 0.000 0.413 29 K N -0.566 119.809 120.400 -0.042 0.000 2.646 29 K HA 0.252 4.571 4.320 -0.001 0.000 0.177 29 K C -0.186 176.407 176.600 -0.011 0.000 1.222 29 K CA -0.047 56.228 56.287 -0.021 0.000 1.138 29 K CB 0.840 33.332 32.500 -0.014 0.000 0.955 29 K HN 0.059 nan 8.250 nan 0.000 0.524 30 L N 0.996 122.208 121.223 -0.019 0.000 3.441 30 L HA 0.191 4.531 4.340 -0.001 0.000 0.363 30 L C -2.889 173.975 176.870 -0.010 0.000 1.333 30 L CA -0.565 54.275 54.840 -0.000 0.000 0.926 30 L CB 0.875 42.947 42.059 0.021 0.000 1.304 30 L HN -0.188 nan 8.230 nan 0.000 0.596 31 P HA 0.239 nan 4.420 nan 0.000 0.263 31 P C -0.376 176.917 177.300 -0.012 0.000 1.601 31 P CA 0.568 63.647 63.100 -0.034 0.000 1.161 31 P CB 0.827 32.500 31.700 -0.045 0.000 1.730 32 V N 2.040 121.955 119.914 0.002 0.000 3.119 32 V HA 0.954 5.074 4.120 -0.001 0.000 0.311 32 V C 0.183 176.281 176.094 0.006 0.000 1.259 32 V CA -0.551 61.758 62.300 0.015 0.000 1.067 32 V CB 1.661 33.507 31.823 0.038 0.000 1.123 32 V HN 0.667 nan 8.190 nan 0.000 0.463 33 A N -0.304 122.520 122.820 0.006 0.000 2.375 33 A HA 0.642 4.961 4.320 -0.001 0.000 0.299 33 A C -0.539 177.018 177.584 -0.045 0.000 1.044 33 A CA 0.385 52.403 52.037 -0.033 0.000 0.585 33 A CB 0.673 19.630 19.000 -0.071 0.000 1.438 33 A HN 1.241 nan 8.150 nan 0.000 0.574 34 Q N -0.658 119.038 119.800 -0.175 0.000 2.418 34 Q HA -0.148 4.192 4.340 -0.001 0.000 0.293 34 Q C -0.883 175.007 176.000 -0.183 0.000 1.398 34 Q CA 0.989 56.622 55.803 -0.284 0.000 0.720 34 Q CB -1.853 26.892 28.738 0.011 0.000 1.100 34 Q HN 1.837 nan 8.270 nan 0.000 0.381 35 Y N -2.909 117.491 120.300 0.167 0.000 2.504 35 Y HA -0.362 4.187 4.550 -0.001 0.000 0.254 35 Y C -1.514 174.472 175.900 0.143 0.000 1.695 35 Y CA 0.510 58.703 58.100 0.156 0.000 1.423 35 Y CB -1.478 37.083 38.460 0.169 0.000 2.065 35 Y HN 0.329 nan 8.280 nan 0.000 0.254 36 P HA 0.094 nan 4.420 nan 0.000 0.330 36 P C -0.035 177.393 177.300 0.213 0.000 1.434 36 P CA 0.622 63.858 63.100 0.227 0.000 0.873 36 P CB 0.380 32.209 31.700 0.214 0.000 2.146 37 T N -1.402 113.262 114.554 0.182 0.000 2.841 37 T HA 0.617 4.966 4.350 -0.001 0.000 0.276 37 T C 0.872 175.666 174.700 0.158 0.000 1.003 37 T CA -0.348 61.846 62.100 0.157 0.000 0.995 37 T CB 1.003 69.944 68.868 0.122 0.000 1.260 37 T HN 0.482 nan 8.240 nan 0.000 0.581 38 I N -2.426 118.227 120.570 0.138 0.000 3.208 38 I HA 0.438 4.607 4.170 -0.001 0.000 0.267 38 I C 0.604 176.789 176.117 0.113 0.000 1.013 38 I CA -0.891 60.489 61.300 0.133 0.000 1.580 38 I CB -0.673 37.412 38.000 0.142 0.000 2.019 38 I HN 0.609 nan 8.210 nan 0.000 0.342 39 A N 5.042 127.925 122.820 0.105 0.000 2.587 39 A HA 0.291 4.610 4.320 -0.001 0.000 0.235 39 A C -2.149 175.493 177.584 0.096 0.000 1.044 39 A CA -0.198 51.895 52.037 0.093 0.000 0.754 39 A CB -1.088 17.965 19.000 0.088 0.000 0.968 39 A HN 0.378 nan 8.150 nan 0.000 0.509 40 P HA 0.158 nan 4.420 nan 0.000 0.267 40 P C -2.666 174.700 177.300 0.111 0.000 1.205 40 P CA -1.053 62.105 63.100 0.097 0.000 0.765 40 P CB -0.254 31.487 31.700 0.069 0.000 0.828 41 P HA 0.010 nan 4.420 nan 0.000 0.258 41 P C -0.331 177.108 177.300 0.231 0.000 1.172 41 P CA 1.097 64.276 63.100 0.131 0.000 0.762 41 P CB -0.013 31.734 31.700 0.079 0.000 0.764 42 A N 3.464 126.390 122.820 0.177 0.000 2.356 42 A HA 0.752 5.071 4.320 -0.001 0.000 0.323 42 A C -0.478 177.224 177.584 0.197 0.000 1.119 42 A CA -0.482 51.680 52.037 0.208 0.000 0.790 42 A CB 1.259 20.328 19.000 0.114 0.000 1.273 42 A HN 0.326 nan 8.150 nan 0.000 0.452 43 V N -0.376 119.686 119.914 0.247 0.000 3.164 43 V HA 0.945 5.064 4.120 -0.001 0.000 0.313 43 V C 0.023 176.192 176.094 0.125 0.000 1.188 43 V CA 0.093 62.503 62.300 0.184 0.000 1.058 43 V CB 2.168 34.149 31.823 0.262 0.000 1.110 43 V HN 1.408 nan 8.190 nan 0.000 0.453 44 T N 0.480 115.088 114.554 0.089 0.000 3.343 44 T HA 0.522 4.871 4.350 -0.001 0.000 0.383 44 T C -1.778 172.953 174.700 0.051 0.000 1.615 44 T CA -0.329 61.809 62.100 0.064 0.000 1.153 44 T CB 0.735 69.636 68.868 0.055 0.000 1.434 44 T HN 0.459 nan 8.240 nan 0.000 0.476 45 I N 2.717 123.314 120.570 0.044 0.000 2.707 45 I HA 0.739 4.908 4.170 -0.001 0.000 0.309 45 I C 0.022 176.162 176.117 0.038 0.000 1.001 45 I CA -0.880 60.442 61.300 0.037 0.000 1.129 45 I CB 2.331 40.350 38.000 0.032 0.000 1.308 45 I HN 0.670 nan 8.210 nan 0.000 0.466 46 S N 2.728 118.450 115.700 0.037 0.000 2.680 46 S HA 0.650 5.119 4.470 -0.001 0.000 0.262 46 S C -0.371 174.256 174.600 0.045 0.000 1.138 46 S CA -0.671 57.556 58.200 0.044 0.000 1.072 46 S CB 1.562 64.790 63.200 0.048 0.000 1.097 46 S HN 0.760 nan 8.310 nan 0.000 0.468 47 A N 2.192 125.041 122.820 0.050 0.000 2.517 47 A HA 0.979 5.298 4.320 -0.001 0.000 0.280 47 A C -0.069 177.563 177.584 0.080 0.000 1.353 47 A CA -0.726 51.344 52.037 0.055 0.000 0.907 47 A CB 0.552 19.577 19.000 0.041 0.000 1.495 47 A HN 1.524 nan 8.150 nan 0.000 0.506 48 S N -1.815 113.948 115.700 0.105 0.000 2.388 48 S HA 0.212 4.681 4.470 -0.001 0.000 0.279 48 S C -1.272 173.459 174.600 0.218 0.000 0.987 48 S CA -0.279 58.007 58.200 0.143 0.000 0.993 48 S CB -0.574 62.696 63.200 0.117 0.000 1.207 48 S HN 0.821 nan 8.310 nan 0.000 0.425 49 Y N 4.870 125.212 120.300 0.070 0.000 2.907 49 Y HA 0.320 4.869 4.550 -0.001 0.000 0.332 49 Y C -2.173 173.779 175.900 0.086 0.000 1.211 49 Y CA -2.668 55.476 58.100 0.074 0.000 1.387 49 Y CB 0.681 39.175 38.460 0.057 0.000 1.396 49 Y HN 0.444 nan 8.280 nan 0.000 0.519 50 P HA -0.187 nan 4.420 nan 0.000 0.252 50 P C 0.743 178.050 177.300 0.011 0.000 1.126 50 P CA 2.093 65.272 63.100 0.132 0.000 0.777 50 P CB 0.072 31.905 31.700 0.222 0.000 0.711 51 G N 2.005 110.810 108.800 0.008 0.000 2.198 51 G HA2 -0.079 3.880 3.960 -0.001 0.000 0.260 51 G HA3 -0.079 3.880 3.960 -0.001 0.000 0.260 51 G C 0.230 175.051 174.900 -0.131 0.000 1.025 51 G CA 0.032 45.116 45.100 -0.026 0.000 0.769 51 G HN 0.928 nan 8.290 nan 0.000 0.507 52 A N 0.093 122.799 122.820 -0.191 0.000 2.318 52 A HA 0.707 5.026 4.320 -0.001 0.000 0.324 52 A C 0.202 177.735 177.584 -0.085 0.000 1.170 52 A CA 0.162 52.027 52.037 -0.287 0.000 0.810 52 A CB 0.773 19.371 19.000 -0.670 0.000 1.198 52 A HN 1.004 nan 8.150 nan 0.000 0.484 53 D N 1.750 122.113 120.400 -0.062 0.000 2.368 53 D HA 0.378 5.017 4.640 -0.001 0.000 0.240 53 D C 1.239 177.553 176.300 0.024 0.000 1.169 53 D CA 0.146 54.139 54.000 -0.012 0.000 0.906 53 D CB 1.033 41.819 40.800 -0.023 0.000 1.187 53 D HN 0.516 nan 8.370 nan 0.000 0.435 54 A N 1.956 124.790 122.820 0.024 0.000 1.958 54 A HA -0.317 4.002 4.320 -0.001 0.000 0.221 54 A C 2.064 179.661 177.584 0.022 0.000 1.178 54 A CA 2.080 54.134 52.037 0.027 0.000 0.642 54 A CB -0.866 18.139 19.000 0.008 0.000 0.816 54 A HN 0.747 nan 8.150 nan 0.000 0.453 55 K N -0.892 119.512 120.400 0.006 0.000 2.031 55 K HA -0.124 4.196 4.320 -0.001 0.000 0.205 55 K C 2.255 178.880 176.600 0.041 0.000 1.049 55 K CA 1.820 58.110 56.287 0.006 0.000 0.939 55 K CB -0.324 32.169 32.500 -0.012 0.000 0.717 55 K HN 0.646 nan 8.250 nan 0.000 0.438 56 T N -0.991 113.599 114.554 0.060 0.000 2.833 56 T HA -0.112 4.237 4.350 -0.001 0.000 0.269 56 T C 1.852 176.675 174.700 0.205 0.000 1.054 56 T CA 1.275 63.448 62.100 0.123 0.000 1.135 56 T CB -0.540 68.402 68.868 0.123 0.000 0.869 56 T HN 0.152 nan 8.240 nan 0.000 0.466 57 V N -0.826 119.205 119.914 0.195 0.000 3.623 57 V HA 0.221 4.340 4.120 -0.001 0.000 0.271 57 V C 2.128 178.285 176.094 0.104 0.000 1.248 57 V CA 0.904 63.336 62.300 0.219 0.000 1.156 57 V CB -0.472 31.492 31.823 0.235 0.000 0.870 57 V HN 0.512 nan 8.190 nan 0.000 0.453 58 Q N -0.210 119.633 119.800 0.071 0.000 2.304 58 Q HA -0.062 4.277 4.340 -0.001 0.000 0.204 58 Q C 1.562 177.581 176.000 0.032 0.000 0.936 58 Q CA 1.330 57.159 55.803 0.042 0.000 0.878 58 Q CB 0.294 29.048 28.738 0.027 0.000 0.983 58 Q HN 0.675 nan 8.270 nan 0.000 0.516 59 D N -0.152 120.269 120.400 0.036 0.000 2.110 59 D HA -0.078 4.561 4.640 -0.001 0.000 0.202 59 D C 1.737 178.048 176.300 0.018 0.000 0.975 59 D CA 1.407 55.422 54.000 0.026 0.000 0.839 59 D CB -0.463 40.354 40.800 0.030 0.000 0.996 59 D HN 0.102 nan 8.370 nan 0.000 0.464 60 T N -0.069 114.503 114.554 0.029 0.000 2.788 60 T HA -0.053 4.296 4.350 -0.001 0.000 0.268 60 T C 1.802 176.460 174.700 -0.069 0.000 1.044 60 T CA 1.064 63.154 62.100 -0.017 0.000 1.139 60 T CB 0.120 68.984 68.868 -0.006 0.000 0.867 60 T HN -0.065 nan 8.240 nan 0.000 0.454 61 V N -0.821 119.066 119.914 -0.046 0.000 3.001 61 V HA 0.057 4.176 4.120 -0.001 0.000 0.228 61 V C 2.547 178.632 176.094 -0.015 0.000 1.204 61 V CA 0.812 63.081 62.300 -0.053 0.000 1.247 61 V CB -1.114 30.677 31.823 -0.055 0.000 1.093 61 V HN 0.222 nan 8.190 nan 0.000 0.504 62 T N 0.616 115.174 114.554 0.007 0.000 2.680 62 T HA -0.330 4.020 4.350 -0.001 0.000 0.268 62 T C 1.904 176.607 174.700 0.005 0.000 1.033 62 T CA 2.465 64.573 62.100 0.012 0.000 1.152 62 T CB -0.293 68.589 68.868 0.023 0.000 0.859 62 T HN 0.513 nan 8.240 nan 0.000 0.452 63 Q N -0.080 119.721 119.800 0.003 0.000 2.096 63 Q HA 0.016 4.355 4.340 -0.001 0.000 0.197 63 Q C 2.548 178.545 176.000 -0.006 0.000 0.964 63 Q CA 0.928 56.731 55.803 -0.000 0.000 0.838 63 Q CB -0.147 28.592 28.738 0.003 0.000 0.906 63 Q HN 0.392 nan 8.270 nan 0.000 0.444 64 V N 0.707 120.615 119.914 -0.011 0.000 3.078 64 V HA -0.172 3.947 4.120 -0.001 0.000 0.265 64 V C 1.774 177.860 176.094 -0.013 0.000 1.122 64 V CA 1.290 63.581 62.300 -0.015 0.000 1.141 64 V CB -0.311 31.498 31.823 -0.025 0.000 0.735 64 V HN 0.311 nan 8.190 nan 0.000 0.498 65 I N -1.112 119.452 120.570 -0.010 0.000 3.854 65 I HA 0.040 4.209 4.170 -0.001 0.000 0.312 65 I C 2.236 178.350 176.117 -0.005 0.000 1.273 65 I CA 0.507 61.804 61.300 -0.006 0.000 1.298 65 I CB 0.343 38.342 38.000 -0.003 0.000 1.071 65 I HN 0.250 nan 8.210 nan 0.000 0.428 66 E N 0.324 120.520 120.200 -0.007 0.000 2.166 66 E HA -0.101 4.248 4.350 -0.001 0.000 0.192 66 E C 1.749 178.341 176.600 -0.014 0.000 0.967 66 E CA 0.501 56.893 56.400 -0.012 0.000 0.840 66 E CB 0.141 29.833 29.700 -0.013 0.000 0.795 66 E HN 0.465 nan 8.360 nan 0.000 0.470 67 Q N 0.456 120.249 119.800 -0.010 0.000 2.364 67 Q HA -0.067 4.272 4.340 -0.001 0.000 0.207 67 Q C 0.788 176.784 176.000 -0.008 0.000 0.970 67 Q CA 0.767 56.564 55.803 -0.010 0.000 0.888 67 Q CB -0.083 28.651 28.738 -0.007 0.000 0.951 67 Q HN 0.165 nan 8.270 nan 0.000 0.469 68 N N -0.564 118.132 118.700 -0.006 0.000 2.251 68 N HA 0.095 4.834 4.740 -0.001 0.000 0.217 68 N C -0.703 174.807 175.510 -0.000 0.000 1.124 68 N CA -0.157 52.892 53.050 -0.003 0.000 0.843 68 N CB 0.533 39.018 38.487 -0.003 0.000 1.024 68 N HN 0.000 nan 8.380 nan 0.000 0.501 69 M N 1.361 120.959 119.600 -0.003 0.000 2.385 69 M HA 0.304 4.783 4.480 -0.001 0.000 0.346 69 M C -0.954 175.344 176.300 -0.003 0.000 1.180 69 M CA -0.025 55.275 55.300 0.000 0.000 1.154 69 M CB -0.125 32.471 32.600 -0.008 0.000 1.251 69 M HN 0.063 nan 8.290 nan 0.000 0.430 70 N N 0.249 118.952 118.700 0.004 0.000 2.571 70 N HA 0.512 5.251 4.740 -0.001 0.000 0.273 70 N C 0.235 175.752 175.510 0.012 0.000 1.340 70 N CA -0.527 52.525 53.050 0.003 0.000 0.789 70 N CB 1.807 40.295 38.487 0.001 0.000 1.514 70 N HN 0.712 nan 8.380 nan 0.000 0.499 71 G N 0.904 109.711 108.800 0.012 0.000 2.372 71 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.290 71 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.290 71 G C -0.460 174.458 174.900 0.030 0.000 0.965 71 G CA 0.204 45.315 45.100 0.018 0.000 1.263 71 G HN 0.503 nan 8.290 nan 0.000 0.498 72 I N 0.887 121.483 120.570 0.044 0.000 2.420 72 I HA 0.160 4.329 4.170 -0.001 0.000 0.282 72 I C -0.340 175.839 176.117 0.105 0.000 1.019 72 I CA -1.090 60.259 61.300 0.081 0.000 1.130 72 I CB 1.300 39.370 38.000 0.116 0.000 1.262 72 I HN 0.009 nan 8.210 nan 0.000 0.454 73 D N 7.948 128.399 120.400 0.085 0.000 2.554 73 D HA -0.029 4.610 4.640 -0.001 0.000 0.251 73 D C 0.145 176.538 176.300 0.156 0.000 1.213 73 D CA 1.112 55.161 54.000 0.081 0.000 0.900 73 D CB 0.072 40.895 40.800 0.038 0.000 1.135 73 D HN 0.549 nan 8.370 nan 0.000 0.522 74 N N 0.658 119.440 118.700 0.137 0.000 4.287 74 N HA -0.207 4.532 4.740 -0.001 0.000 0.330 74 N C -1.090 174.528 175.510 0.181 0.000 2.095 74 N CA 0.126 53.280 53.050 0.174 0.000 2.979 74 N CB -0.170 38.467 38.487 0.249 0.000 0.324 74 N HN 0.393 nan 8.380 nan 0.000 0.781 75 L N 2.003 123.203 121.223 -0.039 0.000 4.439 75 L HA 0.144 4.483 4.340 -0.001 0.000 0.261 75 L C -0.165 176.515 176.870 -0.317 0.000 1.052 75 L CA -0.109 54.528 54.840 -0.339 0.000 1.191 75 L CB 0.710 42.627 42.059 -0.237 0.000 1.969 75 L HN 0.769 nan 8.230 nan 0.000 0.580 76 M N 3.934 123.205 119.600 -0.549 0.000 2.486 76 M HA 0.293 4.772 4.480 -0.001 0.000 0.264 76 M C -0.922 175.050 176.300 -0.546 0.000 1.125 76 M CA 0.746 55.718 55.300 -0.547 0.000 1.144 76 M CB 0.282 32.371 32.600 -0.852 0.000 1.353 76 M HN 0.612 nan 8.290 nan 0.000 0.466 77 Y N -1.743 118.367 120.300 -0.317 0.000 2.916 77 Y HA 0.416 4.965 4.550 -0.001 0.000 0.397 77 Y C -1.701 173.972 175.900 -0.379 0.000 1.135 77 Y CA -2.810 55.063 58.100 -0.378 0.000 1.299 77 Y CB -0.126 38.069 38.460 -0.442 0.000 1.515 77 Y HN 0.055 nan 8.280 nan 0.000 0.502 78 M N 0.970 120.477 119.600 -0.155 0.000 2.197 78 M HA 0.837 5.317 4.480 -0.001 0.000 0.301 78 M C -1.262 174.964 176.300 -0.124 0.000 0.987 78 M CA -0.888 54.346 55.300 -0.111 0.000 0.921 78 M CB 2.396 34.923 32.600 -0.122 0.000 1.569 78 M HN 0.612 nan 8.290 nan 0.000 0.431 79 S N 1.416 117.114 115.700 -0.004 0.000 2.567 79 S HA 0.401 4.870 4.470 -0.001 0.000 0.262 79 S C -0.086 174.542 174.600 0.046 0.000 1.237 79 S CA -0.747 57.482 58.200 0.049 0.000 1.093 79 S CB 0.570 63.834 63.200 0.108 0.000 1.095 79 S HN 0.788 nan 8.310 nan 0.000 0.489 80 S N 2.734 118.453 115.700 0.031 0.000 2.593 80 S HA 0.461 4.930 4.470 -0.001 0.000 0.269 80 S C -0.075 174.553 174.600 0.047 0.000 1.334 80 S CA -0.313 57.908 58.200 0.034 0.000 1.015 80 S CB 0.263 63.476 63.200 0.021 0.000 0.912 80 S HN 0.731 nan 8.310 nan 0.000 0.541 81 N N 0.139 118.866 118.700 0.045 0.000 2.774 81 N HA 0.542 5.282 4.740 -0.001 0.000 0.264 81 N C -1.903 173.636 175.510 0.048 0.000 1.415 81 N CA -0.611 52.469 53.050 0.049 0.000 0.815 81 N CB 2.107 40.626 38.487 0.052 0.000 1.514 81 N HN 0.470 nan 8.380 nan 0.000 0.523 82 S N 0.478 116.208 115.700 0.049 0.000 2.612 82 S HA 0.172 4.642 4.470 -0.001 0.000 0.167 82 S C -1.692 172.938 174.600 0.050 0.000 0.961 82 S CA -0.699 57.532 58.200 0.051 0.000 1.085 82 S CB 0.256 63.481 63.200 0.042 0.000 1.477 82 S HN 0.423 nan 8.310 nan 0.000 0.413 83 D N 1.910 122.346 120.400 0.060 0.000 2.399 83 D HA 0.154 4.793 4.640 -0.001 0.000 0.241 83 D C 1.435 177.770 176.300 0.060 0.000 1.133 83 D CA 0.115 54.151 54.000 0.061 0.000 0.890 83 D CB 0.721 41.562 40.800 0.069 0.000 1.201 83 D HN 0.403 nan 8.370 nan 0.000 0.432 84 S N -0.052 115.681 115.700 0.055 0.000 2.469 84 S HA -0.202 4.267 4.470 -0.001 0.000 0.238 84 S C 1.817 176.450 174.600 0.055 0.000 0.998 84 S CA 1.244 59.474 58.200 0.050 0.000 0.957 84 S CB -0.757 62.475 63.200 0.054 0.000 0.764 84 S HN 0.641 nan 8.310 nan 0.000 0.514 85 T N -1.890 112.704 114.554 0.067 0.000 2.977 85 T HA 0.257 4.606 4.350 -0.001 0.000 0.271 85 T C 1.617 176.364 174.700 0.078 0.000 1.105 85 T CA 1.012 63.157 62.100 0.076 0.000 1.116 85 T CB -1.009 67.912 68.868 0.087 0.000 0.878 85 T HN 1.441 nan 8.240 nan 0.000 0.509 86 G N -0.049 108.799 108.800 0.079 0.000 2.140 86 G HA2 -0.137 3.822 3.960 -0.001 0.000 0.211 86 G HA3 -0.137 3.822 3.960 -0.001 0.000 0.211 86 G C 0.012 174.990 174.900 0.130 0.000 1.013 86 G CA 0.123 45.283 45.100 0.100 0.000 0.705 86 G HN 0.914 nan 8.290 nan 0.000 0.508 87 T N -1.081 113.538 114.554 0.109 0.000 2.907 87 T HA 0.741 5.090 4.350 -0.001 0.000 0.292 87 T C -0.420 174.334 174.700 0.090 0.000 1.043 87 T CA 0.182 62.345 62.100 0.104 0.000 1.003 87 T CB 2.204 71.131 68.868 0.098 0.000 1.084 87 T HN 1.224 nan 8.240 nan 0.000 0.483 88 V N 3.316 123.278 119.914 0.080 0.000 3.074 88 V HA 0.809 4.929 4.120 -0.001 0.000 0.314 88 V C -1.451 174.679 176.094 0.059 0.000 1.117 88 V CA -0.509 61.830 62.300 0.065 0.000 1.014 88 V CB 2.193 34.049 31.823 0.055 0.000 1.057 88 V HN 0.981 nan 8.190 nan 0.000 0.438 89 Q N 3.778 123.609 119.800 0.052 0.000 3.990 89 Q HA 0.356 4.695 4.340 -0.001 0.000 0.175 89 Q C -1.785 174.241 176.000 0.043 0.000 0.875 89 Q CA -0.506 55.327 55.803 0.050 0.000 0.761 89 Q CB 0.767 29.540 28.738 0.058 0.000 1.491 89 Q HN 0.723 nan 8.270 nan 0.000 0.457 90 I N 1.712 122.303 120.570 0.035 0.000 2.648 90 I HA 0.194 4.363 4.170 -0.001 0.000 0.284 90 I C 0.309 176.445 176.117 0.032 0.000 1.153 90 I CA 0.793 62.109 61.300 0.027 0.000 1.426 90 I CB 1.356 39.365 38.000 0.015 0.000 1.381 90 I HN 0.334 nan 8.210 nan 0.000 0.571 91 T N 6.887 121.458 114.554 0.029 0.000 2.824 91 T HA 0.728 5.077 4.350 -0.001 0.000 0.282 91 T C -0.544 174.156 174.700 0.001 0.000 0.993 91 T CA -0.556 61.565 62.100 0.036 0.000 0.967 91 T CB 1.132 70.034 68.868 0.055 0.000 0.960 91 T HN 0.146 nan 8.240 nan 0.000 0.441 92 L N 2.706 123.914 121.223 -0.025 0.000 2.341 92 L HA 0.604 4.944 4.340 -0.001 0.000 0.278 92 L C 0.263 176.917 176.870 -0.361 0.000 1.005 92 L CA -0.432 54.278 54.840 -0.217 0.000 0.818 92 L CB 2.081 44.017 42.059 -0.203 0.000 1.259 92 L HN 0.653 nan 8.230 nan 0.000 0.418 93 T N 2.190 116.365 114.554 -0.631 0.000 2.855 93 T HA 0.719 5.068 4.350 -0.001 0.000 0.281 93 T C -0.779 173.390 174.700 -0.885 0.000 1.007 93 T CA -0.355 61.401 62.100 -0.573 0.000 1.009 93 T CB 0.867 69.429 68.868 -0.509 0.000 0.983 93 T HN 0.066 nan 8.240 nan 0.000 0.455 94 F N 1.388 121.239 119.950 -0.166 0.000 2.520 94 F HA 0.400 4.927 4.527 -0.001 0.000 0.322 94 F C 0.556 176.313 175.800 -0.072 0.000 1.103 94 F CA -1.471 56.458 58.000 -0.119 0.000 0.926 94 F CB 0.965 39.926 39.000 -0.066 0.000 1.154 94 F HN 0.393 nan 8.300 nan 0.000 0.453 95 E N 0.404 120.673 120.200 0.113 0.000 2.739 95 E HA -0.137 4.212 4.350 -0.001 0.000 0.278 95 E C 0.238 176.912 176.600 0.123 0.000 0.978 95 E CA 0.055 56.519 56.400 0.106 0.000 0.978 95 E CB 0.032 29.799 29.700 0.112 0.000 0.982 95 E HN 0.527 nan 8.360 nan 0.000 0.469 96 S N 0.636 116.409 115.700 0.123 0.000 2.563 96 S HA 0.299 4.768 4.470 -0.001 0.000 0.284 96 S C 1.329 175.994 174.600 0.108 0.000 1.331 96 S CA 0.796 59.068 58.200 0.120 0.000 1.047 96 S CB 0.036 63.318 63.200 0.137 0.000 0.859 96 S HN 0.893 nan 8.310 nan 0.000 0.514 97 G N 2.857 111.707 108.800 0.083 0.000 2.179 97 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.260 97 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.260 97 G C 0.275 175.199 174.900 0.040 0.000 0.977 97 G CA 0.417 45.551 45.100 0.056 0.000 0.641 97 G HN 0.951 nan 8.290 nan 0.000 0.533 98 T N 1.663 116.247 114.554 0.049 0.000 2.916 98 T HA 0.313 4.662 4.350 -0.001 0.000 0.303 98 T C 0.346 175.016 174.700 -0.051 0.000 1.025 98 T CA 0.153 62.262 62.100 0.015 0.000 1.142 98 T CB 1.026 69.930 68.868 0.060 0.000 0.947 98 T HN 0.274 nan 8.240 nan 0.000 0.544 99 D N 2.367 122.723 120.400 -0.074 0.000 2.659 99 D HA -0.026 4.613 4.640 -0.001 0.000 0.264 99 D C 1.254 177.464 176.300 -0.151 0.000 1.329 99 D CA 0.007 53.951 54.000 -0.092 0.000 0.963 99 D CB 0.360 41.106 40.800 -0.088 0.000 1.136 99 D HN 0.643 nan 8.370 nan 0.000 0.554 100 A N 4.845 127.603 122.820 -0.105 0.000 1.873 100 A HA -0.244 4.075 4.320 -0.001 0.000 0.218 100 A C 1.835 179.339 177.584 -0.133 0.000 1.193 100 A CA 1.562 53.533 52.037 -0.110 0.000 0.629 100 A CB -0.106 18.866 19.000 -0.047 0.000 0.826 100 A HN 0.581 nan 8.150 nan 0.000 0.447 101 D N -0.640 119.703 120.400 -0.095 0.000 2.117 101 D HA -0.073 4.567 4.640 -0.001 0.000 0.198 101 D C 1.879 178.117 176.300 -0.104 0.000 0.982 101 D CA 1.084 55.034 54.000 -0.084 0.000 0.828 101 D CB -0.311 40.456 40.800 -0.054 0.000 0.967 101 D HN 0.474 nan 8.370 nan 0.000 0.464 102 I N 0.889 121.391 120.570 -0.113 0.000 2.394 102 I HA -0.223 3.946 4.170 -0.001 0.000 0.251 102 I C 2.230 178.249 176.117 -0.162 0.000 1.136 102 I CA 0.685 61.919 61.300 -0.111 0.000 1.425 102 I CB 0.143 38.087 38.000 -0.093 0.000 1.079 102 I HN -0.114 nan 8.210 nan 0.000 0.425 103 A N -0.446 122.208 122.820 -0.277 0.000 1.854 103 A HA -0.241 4.078 4.320 -0.001 0.000 0.214 103 A C 2.220 179.618 177.584 -0.310 0.000 1.192 103 A CA 1.211 52.962 52.037 -0.476 0.000 0.611 103 A CB -0.730 17.667 19.000 -1.006 0.000 0.832 103 A HN 0.429 nan 8.150 nan 0.000 0.442 104 Q N -0.169 119.490 119.800 -0.234 0.000 2.376 104 Q HA -0.131 4.208 4.340 -0.001 0.000 0.211 104 Q C 1.773 177.734 176.000 -0.065 0.000 0.986 104 Q CA 1.712 57.449 55.803 -0.110 0.000 0.886 104 Q CB -0.202 28.490 28.738 -0.077 0.000 0.927 104 Q HN 0.439 nan 8.270 nan 0.000 0.457 105 V N -0.543 119.325 119.914 -0.077 0.000 2.690 105 V HA -0.120 3.999 4.120 -0.001 0.000 0.240 105 V C 2.033 178.107 176.094 -0.032 0.000 1.078 105 V CA 0.844 63.117 62.300 -0.045 0.000 1.102 105 V CB 0.090 31.886 31.823 -0.045 0.000 0.800 105 V HN 0.306 nan 8.190 nan 0.000 0.479 106 Q N -0.243 119.530 119.800 -0.045 0.000 2.062 106 Q HA -0.253 4.086 4.340 -0.001 0.000 0.209 106 Q C 2.133 178.140 176.000 0.011 0.000 0.996 106 Q CA 2.572 58.364 55.803 -0.018 0.000 0.859 106 Q CB -0.439 28.287 28.738 -0.019 0.000 0.920 106 Q HN 0.561 nan 8.270 nan 0.000 0.415 107 V N 0.519 120.450 119.914 0.028 0.000 2.490 107 V HA -0.247 3.872 4.120 -0.001 0.000 0.250 107 V C 2.015 178.128 176.094 0.032 0.000 1.061 107 V CA 1.819 64.153 62.300 0.056 0.000 1.064 107 V CB -0.476 31.412 31.823 0.109 0.000 0.670 107 V HN 0.388 nan 8.190 nan 0.000 0.461 108 Q N -0.515 119.295 119.800 0.016 0.000 2.482 108 Q HA -0.038 4.301 4.340 -0.001 0.000 0.209 108 Q C 1.464 177.467 176.000 0.006 0.000 0.961 108 Q CA 0.549 56.358 55.803 0.010 0.000 0.945 108 Q CB 0.143 28.882 28.738 0.002 0.000 1.012 108 Q HN 0.643 nan 8.270 nan 0.000 0.515 109 N N -0.885 117.819 118.700 0.006 0.000 2.380 109 N HA -0.016 4.724 4.740 -0.001 0.000 0.227 109 N C 0.917 176.430 175.510 0.006 0.000 1.139 109 N CA 0.259 53.311 53.050 0.003 0.000 0.843 109 N CB 0.285 38.772 38.487 -0.001 0.000 1.327 109 N HN -0.045 nan 8.380 nan 0.000 0.470 110 K N 1.918 122.324 120.400 0.010 0.000 2.432 110 K HA 0.171 4.491 4.320 -0.001 0.000 0.196 110 K C 1.752 178.357 176.600 0.009 0.000 1.038 110 K CA 0.229 56.522 56.287 0.011 0.000 0.986 110 K CB -0.123 32.388 32.500 0.018 0.000 0.782 110 K HN 0.131 nan 8.250 nan 0.000 0.485 111 L N -0.095 121.134 121.223 0.010 0.000 2.179 111 L HA -0.146 4.193 4.340 -0.001 0.000 0.208 111 L C 1.495 178.366 176.870 0.002 0.000 1.096 111 L CA 0.916 55.761 54.840 0.007 0.000 0.779 111 L CB -0.155 41.910 42.059 0.011 0.000 0.922 111 L HN 0.190 nan 8.230 nan 0.000 0.443 112 Q N 0.580 120.381 119.800 0.002 0.000 2.124 112 Q HA -0.163 4.177 4.340 -0.001 0.000 0.202 112 Q C 2.095 178.094 176.000 -0.002 0.000 0.977 112 Q CA 1.374 57.177 55.803 -0.001 0.000 0.850 112 Q CB -0.610 28.127 28.738 -0.000 0.000 0.901 112 Q HN 0.586 nan 8.270 nan 0.000 0.429 113 L N -0.452 120.770 121.223 -0.001 0.000 2.721 113 L HA 0.016 4.355 4.340 -0.001 0.000 0.241 113 L C 1.608 178.475 176.870 -0.004 0.000 1.168 113 L CA 0.675 55.513 54.840 -0.002 0.000 0.866 113 L CB -0.519 41.539 42.059 -0.001 0.000 0.996 113 L HN 0.096 nan 8.230 nan 0.000 0.451 114 A N -1.846 120.971 122.820 -0.006 0.000 1.895 114 A HA 0.123 4.442 4.320 -0.001 0.000 0.198 114 A C 2.044 179.620 177.584 -0.013 0.000 1.709 114 A CA -0.232 51.800 52.037 -0.009 0.000 1.194 114 A CB -0.027 18.968 19.000 -0.008 0.000 1.260 114 A HN 0.057 nan 8.150 nan 0.000 0.441 115 M N 0.450 120.044 119.600 -0.010 0.000 2.124 115 M HA -0.154 4.325 4.480 -0.001 0.000 0.253 115 M C -1.153 175.137 176.300 -0.016 0.000 1.077 115 M CA 1.959 57.252 55.300 -0.012 0.000 1.085 115 M CB -1.886 30.711 32.600 -0.006 0.000 1.320 115 M HN 0.136 nan 8.290 nan 0.000 0.404 116 P HA 0.030 nan 4.420 nan 0.000 0.247 116 P C 1.142 178.431 177.300 -0.019 0.000 1.225 116 P CA 0.785 63.876 63.100 -0.014 0.000 0.768 116 P CB -0.210 31.484 31.700 -0.010 0.000 1.020 117 L N -2.415 118.794 121.223 -0.024 0.000 2.575 117 L HA 0.160 4.499 4.340 -0.001 0.000 0.228 117 L C 0.886 177.727 176.870 -0.048 0.000 1.075 117 L CA -0.060 54.762 54.840 -0.030 0.000 0.867 117 L CB -0.206 41.839 42.059 -0.024 0.000 1.097 117 L HN -0.073 nan 8.230 nan 0.000 0.485 118 L N 0.802 121.990 121.223 -0.057 0.000 2.461 118 L HA 0.166 4.505 4.340 -0.001 0.000 0.272 118 L C -1.954 174.849 176.870 -0.112 0.000 1.197 118 L CA -1.782 52.999 54.840 -0.097 0.000 0.836 118 L CB -0.522 41.485 42.059 -0.087 0.000 1.105 118 L HN -0.201 nan 8.230 nan 0.000 0.477 119 P HA -0.059 nan 4.420 nan 0.000 0.271 119 P C -0.175 177.076 177.300 -0.082 0.000 1.238 119 P CA -0.353 62.655 63.100 -0.152 0.000 0.794 119 P CB 0.360 31.878 31.700 -0.303 0.000 0.959 120 Q N -0.097 119.690 119.800 -0.022 0.000 2.297 120 Q HA -0.159 4.180 4.340 -0.001 0.000 0.204 120 Q C 1.143 177.166 176.000 0.038 0.000 0.962 120 Q CA 1.714 57.520 55.803 0.005 0.000 0.879 120 Q CB -0.560 28.184 28.738 0.011 0.000 0.947 120 Q HN 0.312 nan 8.270 nan 0.000 0.462 121 E N 0.589 120.834 120.200 0.075 0.000 2.158 121 E HA -0.089 4.260 4.350 -0.001 0.000 0.191 121 E C 2.047 178.739 176.600 0.153 0.000 0.982 121 E CA 1.298 57.797 56.400 0.164 0.000 0.823 121 E CB -0.036 29.857 29.700 0.321 0.000 0.766 121 E HN 0.445 nan 8.360 nan 0.000 0.468 122 V N -1.301 118.632 119.914 0.032 0.000 2.488 122 V HA -0.177 3.942 4.120 -0.001 0.000 0.246 122 V C 1.898 178.015 176.094 0.039 0.000 1.046 122 V CA 1.233 63.546 62.300 0.022 0.000 1.053 122 V CB -0.498 31.257 31.823 -0.113 0.000 0.679 122 V HN 0.094 nan 8.190 nan 0.000 0.458 123 Q N 0.407 120.217 119.800 0.017 0.000 2.016 123 Q HA -0.252 4.087 4.340 -0.001 0.000 0.200 123 Q C 2.458 178.496 176.000 0.062 0.000 0.978 123 Q CA 2.135 57.954 55.803 0.026 0.000 0.833 123 Q CB -0.323 28.421 28.738 0.009 0.000 0.895 123 Q HN 0.827 nan 8.270 nan 0.000 0.427 124 Q N 0.353 120.204 119.800 0.084 0.000 2.297 124 Q HA -0.274 4.065 4.340 -0.001 0.000 0.208 124 Q C 1.853 177.989 176.000 0.227 0.000 0.981 124 Q CA 1.312 57.197 55.803 0.136 0.000 0.876 124 Q CB 0.160 28.965 28.738 0.112 0.000 0.921 124 Q HN 0.215 nan 8.270 nan 0.000 0.446 125 Q N -0.387 119.518 119.800 0.175 0.000 2.061 125 Q HA 0.180 4.519 4.340 -0.001 0.000 0.195 125 Q C -0.031 176.015 176.000 0.076 0.000 0.967 125 Q CA 1.397 57.277 55.803 0.129 0.000 0.829 125 Q CB 0.440 29.251 28.738 0.122 0.000 0.900 125 Q HN 0.462 nan 8.270 nan 0.000 0.450 126 G N -0.938 107.901 108.800 0.066 0.000 2.885 126 G HA2 -0.017 3.942 3.960 -0.001 0.000 0.685 126 G HA3 -0.017 3.942 3.960 -0.001 0.000 0.685 126 G C -1.174 173.747 174.900 0.034 0.000 1.216 126 G CA -0.447 44.679 45.100 0.043 0.000 0.790 126 G HN 0.191 nan 8.290 nan 0.000 0.631 127 V N 1.227 121.156 119.914 0.026 0.000 2.863 127 V HA 0.828 4.947 4.120 -0.001 0.000 0.307 127 V C 0.685 176.791 176.094 0.020 0.000 1.061 127 V CA -0.289 62.025 62.300 0.023 0.000 1.024 127 V CB 1.972 33.805 31.823 0.017 0.000 1.049 127 V HN 1.111 nan 8.190 nan 0.000 0.471 128 S N 1.559 117.272 115.700 0.022 0.000 2.733 128 S HA 0.620 5.089 4.470 -0.001 0.000 0.294 128 S C -0.735 173.877 174.600 0.020 0.000 1.149 128 S CA -0.494 57.717 58.200 0.018 0.000 1.034 128 S CB 1.608 64.818 63.200 0.018 0.000 1.015 128 S HN 0.432 nan 8.310 nan 0.000 0.486 129 V N 3.608 123.532 119.914 0.017 0.000 2.667 129 V HA 0.802 4.921 4.120 -0.001 0.000 0.308 129 V C -0.166 175.938 176.094 0.018 0.000 1.048 129 V CA -0.675 61.638 62.300 0.022 0.000 0.928 129 V CB 1.653 33.489 31.823 0.021 0.000 1.004 129 V HN 1.017 nan 8.190 nan 0.000 0.444 130 E N 1.755 121.969 120.200 0.024 0.000 2.411 130 E HA 0.310 4.659 4.350 -0.001 0.000 0.279 130 E C -1.589 175.025 176.600 0.024 0.000 1.132 130 E CA -1.104 55.306 56.400 0.016 0.000 0.876 130 E CB 1.507 31.212 29.700 0.008 0.000 1.335 130 E HN 0.418 nan 8.360 nan 0.000 0.436 131 K N 1.904 122.312 120.400 0.013 0.000 2.480 131 K HA 0.151 4.470 4.320 -0.001 0.000 0.241 131 K C 0.456 177.071 176.600 0.025 0.000 1.261 131 K CA 0.018 56.317 56.287 0.019 0.000 1.193 131 K CB -0.006 32.496 32.500 0.004 0.000 1.598 131 K HN 0.525 nan 8.250 nan 0.000 0.278 132 S N -0.441 115.278 115.700 0.032 0.000 2.906 132 S HA -0.056 4.413 4.470 -0.001 0.000 0.254 132 S C 0.934 175.550 174.600 0.026 0.000 1.432 132 S CA 0.120 58.333 58.200 0.022 0.000 0.997 132 S CB 0.462 63.679 63.200 0.030 0.000 0.928 132 S HN 0.343 nan 8.310 nan 0.000 0.553 133 S N -1.975 113.735 115.700 0.017 0.000 1.972 133 S HA 0.217 4.686 4.470 -0.001 0.000 0.236 133 S C -0.308 174.303 174.600 0.017 0.000 0.881 133 S CA 0.177 58.395 58.200 0.030 0.000 1.563 133 S CB -0.435 62.784 63.200 0.032 0.000 1.099 133 S HN 1.023 nan 8.310 nan 0.000 0.505 134 S N 1.630 117.319 115.700 -0.018 0.000 3.310 134 S HA -0.091 4.378 4.470 -0.001 0.000 0.381 134 S C -0.269 174.323 174.600 -0.014 0.000 0.908 134 S CA 1.001 59.182 58.200 -0.032 0.000 1.333 134 S CB -1.151 62.050 63.200 0.001 0.000 0.931 134 S HN 0.913 nan 8.310 nan 0.000 0.570 135 S N 0.853 116.523 115.700 -0.050 0.000 2.944 135 S HA 0.261 4.730 4.470 -0.001 0.000 0.151 135 S C -0.003 174.692 174.600 0.158 0.000 0.679 135 S CA -0.911 57.355 58.200 0.110 0.000 0.788 135 S CB -0.749 62.535 63.200 0.140 0.000 1.439 135 S HN 0.500 nan 8.310 nan 0.000 0.533 136 F N 2.920 122.962 119.950 0.152 0.000 2.408 136 F HA -0.072 4.455 4.527 -0.001 0.000 0.310 136 F C 1.617 177.492 175.800 0.126 0.000 0.925 136 F CA 0.512 58.565 58.000 0.087 0.000 1.166 136 F CB 0.426 39.400 39.000 -0.042 0.000 0.895 136 F HN 0.479 nan 8.300 nan 0.000 0.626 137 L N 2.210 123.599 121.223 0.277 0.000 2.766 137 L HA 0.390 4.730 4.340 -0.001 0.000 0.242 137 L C 0.035 177.052 176.870 0.245 0.000 1.136 137 L CA 0.499 55.485 54.840 0.243 0.000 0.933 137 L CB -0.068 42.090 42.059 0.165 0.000 1.241 137 L HN 0.850 nan 8.230 nan 0.000 0.522 138 M N -0.309 119.428 119.600 0.228 0.000 3.070 138 M HA 0.180 4.659 4.480 -0.001 0.000 0.244 138 M C -2.193 174.127 176.300 0.033 0.000 0.841 138 M CA -0.261 55.151 55.300 0.187 0.000 0.809 138 M CB 1.554 34.251 32.600 0.161 0.000 1.604 138 M HN -0.337 nan 8.290 nan 0.000 0.582 139 V N 3.784 123.666 119.914 -0.054 0.000 2.595 139 V HA 0.370 4.489 4.120 -0.001 0.000 0.269 139 V C -0.352 175.579 176.094 -0.272 0.000 0.982 139 V CA -0.743 61.384 62.300 -0.287 0.000 0.873 139 V CB 1.127 32.502 31.823 -0.747 0.000 1.051 139 V HN 0.650 nan 8.190 nan 0.000 0.466 140 V N 1.331 121.128 119.914 -0.195 0.000 2.649 140 V HA 0.947 5.066 4.120 -0.001 0.000 0.292 140 V C 0.787 176.699 176.094 -0.303 0.000 1.055 140 V CA 0.119 62.246 62.300 -0.287 0.000 1.023 140 V CB 1.155 32.835 31.823 -0.238 0.000 0.992 140 V HN 0.798 nan 8.190 nan 0.000 0.480 141 G N 2.220 110.802 108.800 -0.363 0.000 2.481 141 G HA2 0.666 4.625 3.960 -0.001 0.000 0.315 141 G HA3 0.666 4.625 3.960 -0.001 0.000 0.315 141 G C -1.216 173.526 174.900 -0.262 0.000 1.231 141 G CA -0.795 44.182 45.100 -0.204 0.000 0.968 141 G HN 0.937 nan 8.290 nan 0.000 0.482 142 V N 1.875 121.695 119.914 -0.157 0.000 2.487 142 V HA 0.614 4.733 4.120 -0.001 0.000 0.298 142 V C 0.187 176.191 176.094 -0.150 0.000 1.028 142 V CA -0.638 61.545 62.300 -0.194 0.000 0.860 142 V CB 0.956 32.674 31.823 -0.174 0.000 0.991 142 V HN 0.827 nan 8.190 nan 0.000 0.427 143 I N 1.317 121.792 120.570 -0.157 0.000 3.170 143 I HA 0.664 4.834 4.170 -0.001 0.000 0.312 143 I C -0.329 175.736 176.117 -0.087 0.000 1.085 143 I CA -1.086 60.162 61.300 -0.087 0.000 0.999 143 I CB 2.496 40.485 38.000 -0.018 0.000 1.233 143 I HN 0.727 nan 8.210 nan 0.000 0.467 144 N N 0.607 119.277 118.700 -0.049 0.000 2.462 144 N HA 0.238 4.977 4.740 -0.001 0.000 0.242 144 N C -0.098 175.396 175.510 -0.027 0.000 1.010 144 N CA -0.650 52.371 53.050 -0.048 0.000 0.939 144 N CB 1.288 39.756 38.487 -0.031 0.000 1.127 144 N HN 0.602 nan 8.380 nan 0.000 0.509 145 T N -0.078 114.456 114.554 -0.035 0.000 3.035 145 T HA -0.041 4.308 4.350 -0.001 0.000 0.268 145 T C -0.257 174.437 174.700 -0.011 0.000 1.109 145 T CA 0.920 63.011 62.100 -0.015 0.000 1.119 145 T CB -0.134 68.725 68.868 -0.016 0.000 0.900 145 T HN 0.607 nan 8.240 nan 0.000 0.503 146 D N -0.626 119.764 120.400 -0.018 0.000 2.601 146 D HA 0.472 5.112 4.640 -0.001 0.000 0.230 146 D C 0.982 177.276 176.300 -0.010 0.000 1.106 146 D CA -0.656 53.337 54.000 -0.011 0.000 0.873 146 D CB 1.246 42.039 40.800 -0.012 0.000 1.515 146 D HN 0.022 nan 8.370 nan 0.000 0.468 147 G N -0.410 108.388 108.800 -0.003 0.000 2.625 147 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.214 147 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.214 147 G C 1.299 176.202 174.900 0.005 0.000 1.132 147 G CA 1.212 46.313 45.100 0.000 0.000 0.782 147 G HN 0.572 nan 8.290 nan 0.000 0.538 148 T N -1.574 112.981 114.554 0.003 0.000 2.918 148 T HA 0.045 4.395 4.350 -0.001 0.000 0.271 148 T C 1.312 176.023 174.700 0.018 0.000 1.104 148 T CA 0.745 62.852 62.100 0.011 0.000 1.114 148 T CB -0.179 68.692 68.868 0.005 0.000 0.855 148 T HN 0.098 nan 8.240 nan 0.000 0.518 149 M N 0.797 120.401 119.600 0.006 0.000 2.872 149 M HA 0.647 5.126 4.480 -0.001 0.000 0.290 149 M C 0.259 176.570 176.300 0.017 0.000 1.180 149 M CA -0.555 54.752 55.300 0.011 0.000 0.839 149 M CB 1.600 34.187 32.600 -0.022 0.000 1.667 149 M HN 0.341 nan 8.290 nan 0.000 0.512 150 T N -1.637 112.926 114.554 0.016 0.000 2.700 150 T HA 0.174 4.523 4.350 -0.001 0.000 0.307 150 T C 0.118 174.814 174.700 -0.006 0.000 1.580 150 T CA -0.407 61.702 62.100 0.015 0.000 0.992 150 T CB 1.006 69.900 68.868 0.044 0.000 1.577 150 T HN 0.667 nan 8.240 nan 0.000 0.496 151 Q N 1.115 120.908 119.800 -0.010 0.000 2.077 151 Q HA -0.150 4.190 4.340 -0.001 0.000 0.206 151 Q C 1.627 177.592 176.000 -0.059 0.000 0.989 151 Q CA 3.038 58.822 55.803 -0.031 0.000 0.853 151 Q CB -0.606 28.121 28.738 -0.019 0.000 0.907 151 Q HN 0.764 nan 8.270 nan 0.000 0.418 152 E N 0.436 120.620 120.200 -0.025 0.000 2.051 152 E HA -0.128 4.221 4.350 -0.001 0.000 0.192 152 E C 1.554 178.024 176.600 -0.216 0.000 0.991 152 E CA 1.603 57.967 56.400 -0.060 0.000 0.799 152 E CB -0.290 29.492 29.700 0.136 0.000 0.748 152 E HN 0.594 nan 8.360 nan 0.000 0.449 153 D N -0.408 119.966 120.400 -0.044 0.000 2.092 153 D HA -0.069 4.570 4.640 -0.001 0.000 0.203 153 D C 1.934 178.176 176.300 -0.097 0.000 0.978 153 D CA 1.066 55.045 54.000 -0.035 0.000 0.861 153 D CB -0.300 40.568 40.800 0.113 0.000 1.005 153 D HN 0.064 nan 8.370 nan 0.000 0.450 154 I N 0.864 121.409 120.570 -0.042 0.000 2.141 154 I HA -0.407 3.762 4.170 -0.001 0.000 0.243 154 I C 2.327 178.412 176.117 -0.054 0.000 1.035 154 I CA 1.298 62.578 61.300 -0.034 0.000 1.302 154 I CB -0.574 37.395 38.000 -0.053 0.000 1.006 154 I HN -0.038 nan 8.210 nan 0.000 0.413 155 S N 0.178 115.811 115.700 -0.112 0.000 2.378 155 S HA -0.314 4.156 4.470 -0.001 0.000 0.221 155 S C 1.895 176.387 174.600 -0.180 0.000 1.037 155 S CA 1.950 60.070 58.200 -0.133 0.000 1.069 155 S CB -0.614 62.488 63.200 -0.164 0.000 1.006 155 S HN 0.596 nan 8.310 nan 0.000 0.423 156 D N -0.478 119.727 120.400 -0.325 0.000 2.172 156 D HA -0.225 4.414 4.640 -0.001 0.000 0.196 156 D C 1.816 178.010 176.300 -0.177 0.000 0.999 156 D CA 1.341 55.136 54.000 -0.342 0.000 0.856 156 D CB -0.177 40.165 40.800 -0.764 0.000 0.934 156 D HN 0.520 nan 8.370 nan 0.000 0.453 157 Y N 0.907 121.133 120.300 -0.123 0.000 2.274 157 Y HA -0.173 4.376 4.550 -0.001 0.000 0.290 157 Y C 2.060 177.944 175.900 -0.026 0.000 1.145 157 Y CA 1.059 59.136 58.100 -0.038 0.000 1.203 157 Y CB -0.233 38.200 38.460 -0.045 0.000 0.984 157 Y HN -0.138 nan 8.280 nan 0.000 0.533 158 V N 0.137 119.961 119.914 -0.150 0.000 2.239 158 V HA -0.236 3.883 4.120 -0.001 0.000 0.236 158 V C 2.664 178.648 176.094 -0.183 0.000 1.040 158 V CA 1.778 63.998 62.300 -0.134 0.000 0.996 158 V CB -1.627 30.160 31.823 -0.060 0.000 0.640 158 V HN 0.456 nan 8.190 nan 0.000 0.456 159 A N 0.082 122.811 122.820 -0.151 0.000 2.001 159 A HA -0.327 3.992 4.320 -0.001 0.000 0.224 159 A C 2.100 179.600 177.584 -0.140 0.000 1.203 159 A CA 2.967 54.923 52.037 -0.136 0.000 0.667 159 A CB -0.848 18.073 19.000 -0.132 0.000 0.823 159 A HN 0.806 nan 8.150 nan 0.000 0.473 160 A N -2.544 120.167 122.820 -0.183 0.000 2.308 160 A HA 0.313 4.632 4.320 -0.001 0.000 0.217 160 A C 1.234 178.691 177.584 -0.212 0.000 1.216 160 A CA 1.006 52.943 52.037 -0.168 0.000 0.864 160 A CB -0.051 18.870 19.000 -0.131 0.000 0.902 160 A HN 0.584 nan 8.150 nan 0.000 0.499 161 N N -2.403 116.123 118.700 -0.291 0.000 2.104 161 N HA 0.261 5.000 4.740 -0.001 0.000 0.227 161 N C 1.154 176.596 175.510 -0.113 0.000 1.321 161 N CA 0.227 53.121 53.050 -0.260 0.000 0.877 161 N CB 0.350 38.533 38.487 -0.506 0.000 1.117 161 N HN 0.267 nan 8.380 nan 0.000 0.486 162 M N -0.419 119.130 119.600 -0.085 0.000 2.838 162 M HA 0.200 4.679 4.480 -0.001 0.000 0.251 162 M C 1.859 178.152 176.300 -0.010 0.000 1.393 162 M CA 0.501 55.814 55.300 0.021 0.000 1.196 162 M CB 0.312 32.972 32.600 0.101 0.000 1.276 162 M HN -0.035 nan 8.290 nan 0.000 0.541 163 K N 1.141 121.513 120.400 -0.047 0.000 2.001 163 K HA -0.203 4.117 4.320 -0.001 0.000 0.208 163 K C 1.343 177.915 176.600 -0.047 0.000 1.048 163 K CA 2.219 58.475 56.287 -0.051 0.000 0.932 163 K CB -0.081 32.374 32.500 -0.075 0.000 0.715 163 K HN 0.049 nan 8.250 nan 0.000 0.437 164 D N 0.087 120.453 120.400 -0.056 0.000 2.126 164 D HA -0.223 4.416 4.640 -0.001 0.000 0.190 164 D C 1.715 177.993 176.300 -0.037 0.000 1.001 164 D CA 2.075 56.045 54.000 -0.049 0.000 0.841 164 D CB -0.180 40.586 40.800 -0.058 0.000 0.949 164 D HN 0.416 nan 8.370 nan 0.000 0.446 165 A N 0.008 122.809 122.820 -0.032 0.000 1.841 165 A HA -0.176 4.143 4.320 -0.001 0.000 0.216 165 A C 2.245 179.823 177.584 -0.010 0.000 1.199 165 A CA 1.447 53.472 52.037 -0.020 0.000 0.621 165 A CB -1.034 17.958 19.000 -0.013 0.000 0.835 165 A HN 0.296 nan 8.150 nan 0.000 0.445 166 I N 1.080 121.647 120.570 -0.004 0.000 2.800 166 I HA -0.187 3.982 4.170 -0.001 0.000 0.266 166 I C 2.085 178.198 176.117 -0.007 0.000 1.249 166 I CA 1.576 62.877 61.300 0.003 0.000 1.458 166 I CB -0.020 37.986 38.000 0.010 0.000 1.093 166 I HN 0.442 nan 8.210 nan 0.000 0.466 167 S N -0.043 115.647 115.700 -0.018 0.000 2.597 167 S HA 0.118 4.587 4.470 -0.001 0.000 0.224 167 S C 1.283 175.874 174.600 -0.016 0.000 0.955 167 S CA -0.446 57.742 58.200 -0.021 0.000 0.933 167 S CB -0.228 62.952 63.200 -0.033 0.000 0.788 167 S HN 0.642 nan 8.310 nan 0.000 0.488 168 R N -0.305 120.187 120.500 -0.012 0.000 2.592 168 R HA 0.339 4.679 4.340 -0.001 0.000 0.439 168 R C -0.305 175.992 176.300 -0.005 0.000 0.995 168 R CA -0.285 55.809 56.100 -0.010 0.000 1.141 168 R CB -0.112 30.180 30.300 -0.014 0.000 1.495 168 R HN 0.164 nan 8.270 nan 0.000 0.579 169 T N -0.264 114.290 114.554 -0.000 0.000 2.886 169 T HA 0.117 4.466 4.350 -0.001 0.000 0.259 169 T C 1.253 175.958 174.700 0.009 0.000 1.125 169 T CA 0.079 62.182 62.100 0.006 0.000 0.988 169 T CB 0.698 69.573 68.868 0.011 0.000 2.203 169 T HN 0.213 nan 8.240 nan 0.000 0.552 170 S N 0.145 115.855 115.700 0.016 0.000 2.561 170 S HA 0.134 4.604 4.470 -0.001 0.000 0.225 170 S C 1.661 176.275 174.600 0.023 0.000 0.977 170 S CA 0.184 58.397 58.200 0.020 0.000 0.926 170 S CB -0.686 62.530 63.200 0.026 0.000 0.769 170 S HN 0.800 nan 8.310 nan 0.000 0.533 171 G N 3.269 112.081 108.800 0.020 0.000 3.180 171 G HA2 0.350 4.309 3.960 -0.001 0.000 0.246 171 G HA3 0.350 4.309 3.960 -0.001 0.000 0.246 171 G C 0.503 175.409 174.900 0.010 0.000 0.939 171 G CA -0.093 45.018 45.100 0.018 0.000 1.920 171 G HN 0.630 nan 8.290 nan 0.000 0.612 172 V N -1.514 118.409 119.914 0.014 0.000 3.393 172 V HA 0.405 4.524 4.120 -0.001 0.000 0.296 172 V C 1.648 177.744 176.094 0.002 0.000 1.204 172 V CA 0.404 62.710 62.300 0.010 0.000 1.323 172 V CB 0.029 31.863 31.823 0.019 0.000 1.017 172 V HN 1.558 nan 8.190 nan 0.000 0.511 173 G N 1.917 110.716 108.800 -0.001 0.000 3.274 173 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.313 173 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.313 173 G C -0.006 174.883 174.900 -0.018 0.000 1.295 173 G CA 1.023 46.119 45.100 -0.008 0.000 1.004 173 G HN 2.142 nan 8.290 nan 0.000 0.614 174 D N -1.372 119.008 120.400 -0.033 0.000 2.622 174 D HA 0.518 5.157 4.640 -0.001 0.000 0.255 174 D C -1.342 174.921 176.300 -0.061 0.000 1.246 174 D CA -0.174 53.800 54.000 -0.043 0.000 0.795 174 D CB 1.684 42.458 40.800 -0.044 0.000 1.369 174 D HN 0.927 nan 8.370 nan 0.000 0.425 175 V N 0.888 120.761 119.914 -0.068 0.000 2.443 175 V HA 0.260 4.380 4.120 -0.001 0.000 0.293 175 V C -0.488 175.523 176.094 -0.138 0.000 1.021 175 V CA -0.626 61.620 62.300 -0.089 0.000 0.848 175 V CB 1.304 33.082 31.823 -0.075 0.000 0.998 175 V HN 0.580 nan 8.190 nan 0.000 0.424 176 Q N 4.493 124.175 119.800 -0.196 0.000 2.294 176 Q HA 0.381 4.720 4.340 -0.001 0.000 0.257 176 Q C -0.881 174.771 176.000 -0.580 0.000 0.955 176 Q CA -0.081 55.514 55.803 -0.347 0.000 0.936 176 Q CB 1.295 29.822 28.738 -0.353 0.000 1.188 176 Q HN 0.669 nan 8.270 nan 0.000 0.420 177 L N 6.588 127.538 121.223 -0.456 0.000 2.255 177 L HA 0.402 4.741 4.340 -0.001 0.000 0.289 177 L C -1.223 175.397 176.870 -0.416 0.000 1.046 177 L CA -0.279 54.333 54.840 -0.381 0.000 0.816 177 L CB -0.055 41.883 42.059 -0.202 0.000 1.197 177 L HN 0.772 nan 8.230 nan 0.000 0.427 178 F N 5.996 125.883 119.950 -0.105 0.000 2.662 178 F HA 0.429 4.955 4.527 -0.001 0.000 0.343 178 F C 1.316 177.077 175.800 -0.065 0.000 1.302 178 F CA 0.895 58.841 58.000 -0.090 0.000 1.142 178 F CB 0.140 39.143 39.000 0.004 0.000 1.524 178 F HN 0.786 nan 8.300 nan 0.000 0.668 179 G N 0.818 109.645 108.800 0.045 0.000 2.292 179 G HA2 0.257 4.216 3.960 -0.001 0.000 0.194 179 G HA3 0.257 4.216 3.960 -0.001 0.000 0.194 179 G C -1.156 173.695 174.900 -0.081 0.000 1.329 179 G CA -0.278 44.809 45.100 -0.021 0.000 1.100 179 G HN 0.637 nan 8.290 nan 0.000 0.470 180 S N -0.920 114.701 115.700 -0.133 0.000 2.556 180 S HA 0.506 4.976 4.470 -0.001 0.000 0.280 180 S C -0.678 173.819 174.600 -0.171 0.000 1.141 180 S CA 0.553 58.669 58.200 -0.140 0.000 0.883 180 S CB 1.468 64.580 63.200 -0.148 0.000 1.103 180 S HN 1.109 nan 8.310 nan 0.000 0.453 181 Q N 2.439 122.165 119.800 -0.124 0.000 2.395 181 Q HA 0.202 4.541 4.340 -0.001 0.000 0.271 181 Q C -0.726 175.249 176.000 -0.043 0.000 1.026 181 Q CA 0.002 55.739 55.803 -0.111 0.000 0.900 181 Q CB 0.257 28.959 28.738 -0.059 0.000 1.266 181 Q HN 0.710 nan 8.270 nan 0.000 0.430 182 Y N 0.615 120.917 120.300 0.003 0.000 2.321 182 Y HA 0.280 4.829 4.550 -0.001 0.000 0.353 182 Y C 0.430 176.393 175.900 0.106 0.000 1.276 182 Y CA 0.646 58.773 58.100 0.045 0.000 1.545 182 Y CB 0.581 39.094 38.460 0.088 0.000 1.377 182 Y HN 0.721 nan 8.280 nan 0.000 0.650 183 A N 1.052 124.102 122.820 0.384 0.000 2.605 183 A HA 0.521 4.841 4.320 -0.001 0.000 0.294 183 A C -1.461 176.243 177.584 0.199 0.000 1.062 183 A CA -0.959 51.296 52.037 0.364 0.000 0.682 183 A CB 0.929 20.148 19.000 0.364 0.000 1.278 183 A HN 0.636 nan 8.150 nan 0.000 0.410 184 M N 2.490 122.099 119.600 0.016 0.000 2.220 184 M HA 0.387 4.866 4.480 -0.001 0.000 0.343 184 M C -0.216 175.902 176.300 -0.303 0.000 1.470 184 M CA 0.140 55.188 55.300 -0.420 0.000 1.161 184 M CB -0.005 31.883 32.600 -1.187 0.000 1.737 184 M HN 0.514 nan 8.290 nan 0.000 0.464 185 R N 6.073 126.414 120.500 -0.265 0.000 2.312 185 R HA 0.497 4.836 4.340 -0.001 0.000 0.311 185 R C -0.802 175.112 176.300 -0.643 0.000 1.004 185 R CA -0.341 55.466 56.100 -0.487 0.000 0.902 185 R CB 0.505 30.503 30.300 -0.503 0.000 1.073 185 R HN 0.722 nan 8.270 nan 0.000 0.457 186 I N 3.341 123.504 120.570 -0.677 0.000 2.405 186 I HA 0.206 4.375 4.170 -0.001 0.000 0.280 186 I C -0.540 175.309 176.117 -0.447 0.000 1.027 186 I CA -0.619 60.428 61.300 -0.422 0.000 1.161 186 I CB 0.846 38.711 38.000 -0.224 0.000 1.300 186 I HN 0.430 nan 8.210 nan 0.000 0.463 187 W N 6.935 128.248 121.300 0.023 0.000 2.318 187 W HA 0.445 5.104 4.660 -0.001 0.000 0.362 187 W C 0.366 176.911 176.519 0.043 0.000 0.978 187 W CA -0.723 56.641 57.345 0.032 0.000 1.509 187 W CB 0.323 29.795 29.460 0.020 0.000 1.437 187 W HN 0.301 nan 8.180 nan 0.000 0.361 188 M N 3.162 122.890 119.600 0.214 0.000 2.249 188 M HA -0.034 4.445 4.480 -0.001 0.000 0.340 188 M C 0.602 176.947 176.300 0.076 0.000 1.166 188 M CA 0.758 56.155 55.300 0.162 0.000 1.115 188 M CB 0.275 33.003 32.600 0.213 0.000 1.606 188 M HN 0.308 nan 8.290 nan 0.000 0.448 189 N N 4.561 123.218 118.700 -0.073 0.000 2.476 189 N HA 0.271 5.010 4.740 -0.001 0.000 0.257 189 N C -2.084 173.136 175.510 -0.484 0.000 0.970 189 N CA -1.942 50.868 53.050 -0.400 0.000 0.938 189 N CB 1.708 40.079 38.487 -0.194 0.000 1.144 189 N HN 0.330 nan 8.380 nan 0.000 0.500 190 P HA -0.149 nan 4.420 nan 0.000 0.215 190 P C 0.673 177.723 177.300 -0.416 0.000 1.153 190 P CA 1.369 63.953 63.100 -0.861 0.000 0.853 190 P CB 0.678 31.281 31.700 -1.828 0.000 0.788 191 N N -0.220 118.227 118.700 -0.420 0.000 2.000 191 N HA -0.175 4.564 4.740 -0.001 0.000 0.198 191 N C 1.824 177.274 175.510 -0.100 0.000 1.057 191 N CA 1.074 54.029 53.050 -0.158 0.000 0.858 191 N CB -0.339 38.100 38.487 -0.081 0.000 1.057 191 N HN 0.112 nan 8.380 nan 0.000 0.423 192 E N 1.330 121.485 120.200 -0.075 0.000 2.048 192 E HA -0.219 4.131 4.350 -0.001 0.000 0.202 192 E C 2.282 178.963 176.600 0.135 0.000 1.021 192 E CA 0.944 57.377 56.400 0.056 0.000 0.825 192 E CB -0.818 28.962 29.700 0.132 0.000 0.756 192 E HN 0.403 nan 8.360 nan 0.000 0.454 193 L N 1.636 122.912 121.223 0.089 0.000 2.021 193 L HA -0.273 4.066 4.340 -0.001 0.000 0.215 193 L C 2.560 179.503 176.870 0.122 0.000 1.074 193 L CA 1.838 56.761 54.840 0.137 0.000 0.760 193 L CB -0.695 41.428 42.059 0.108 0.000 0.889 193 L HN 0.290 nan 8.230 nan 0.000 0.433 194 N N 0.492 119.226 118.700 0.056 0.000 2.166 194 N HA -0.258 4.481 4.740 -0.001 0.000 0.186 194 N C 1.856 177.305 175.510 -0.101 0.000 1.019 194 N CA 1.583 54.638 53.050 0.007 0.000 0.856 194 N CB 0.033 38.534 38.487 0.023 0.000 0.993 194 N HN 0.359 nan 8.380 nan 0.000 0.426 195 K N 0.249 120.562 120.400 -0.145 0.000 1.969 195 K HA -0.128 4.192 4.320 -0.001 0.000 0.216 195 K C 1.635 178.065 176.600 -0.283 0.000 1.048 195 K CA 1.675 57.782 56.287 -0.299 0.000 0.948 195 K CB -0.384 31.819 32.500 -0.495 0.000 0.726 195 K HN 0.115 nan 8.250 nan 0.000 0.442 196 F N 1.833 121.768 119.950 -0.025 0.000 2.664 196 F HA -0.023 4.503 4.527 -0.001 0.000 0.297 196 F C 0.056 175.852 175.800 -0.006 0.000 1.164 196 F CA 0.700 58.693 58.000 -0.013 0.000 1.472 196 F CB -0.219 38.779 39.000 -0.003 0.000 1.108 196 F HN 0.246 nan 8.300 nan 0.000 0.596 197 Q N 0.518 120.377 119.800 0.098 0.000 2.456 197 Q HA -0.181 4.159 4.340 -0.001 0.000 0.325 197 Q C -1.118 174.949 176.000 0.112 0.000 1.453 197 Q CA 0.227 56.074 55.803 0.073 0.000 0.848 197 Q CB -2.000 26.766 28.738 0.046 0.000 1.123 197 Q HN 0.448 nan 8.270 nan 0.000 0.374 198 L N -0.389 120.917 121.223 0.139 0.000 2.434 198 L HA 0.699 5.038 4.340 -0.001 0.000 0.260 198 L C 0.427 177.399 176.870 0.170 0.000 0.983 198 L CA -0.770 54.154 54.840 0.139 0.000 0.820 198 L CB 2.147 44.283 42.059 0.129 0.000 1.361 198 L HN 0.254 nan 8.230 nan 0.000 0.410 199 T N -2.648 112.008 114.554 0.170 0.000 2.949 199 T HA 0.486 4.835 4.350 -0.001 0.000 0.287 199 T C -2.325 172.486 174.700 0.186 0.000 1.034 199 T CA -2.094 60.137 62.100 0.218 0.000 1.018 199 T CB 2.074 71.069 68.868 0.213 0.000 1.135 199 T HN 0.266 nan 8.240 nan 0.000 0.532 200 P HA -0.030 nan 4.420 nan 0.000 0.223 200 P C 1.551 178.915 177.300 0.105 0.000 1.144 200 P CA 0.405 63.597 63.100 0.154 0.000 0.783 200 P CB -0.134 31.653 31.700 0.145 0.000 0.771 201 V N -0.196 119.782 119.914 0.107 0.000 2.427 201 V HA -0.239 3.880 4.120 -0.001 0.000 0.248 201 V C 1.639 177.768 176.094 0.059 0.000 1.051 201 V CA 2.134 64.479 62.300 0.075 0.000 1.048 201 V CB -1.249 30.618 31.823 0.074 0.000 0.666 201 V HN 0.119 nan 8.190 nan 0.000 0.456 202 D N -0.124 120.317 120.400 0.068 0.000 2.149 202 D HA -0.117 4.522 4.640 -0.001 0.000 0.201 202 D C 2.095 178.420 176.300 0.041 0.000 0.972 202 D CA 0.938 54.969 54.000 0.051 0.000 0.835 202 D CB -0.160 40.674 40.800 0.057 0.000 0.966 202 D HN 0.234 nan 8.370 nan 0.000 0.476 203 V N 0.741 120.687 119.914 0.054 0.000 2.343 203 V HA -0.201 3.918 4.120 -0.001 0.000 0.247 203 V C 2.163 178.278 176.094 0.035 0.000 1.051 203 V CA 1.212 63.539 62.300 0.044 0.000 1.036 203 V CB -0.311 31.546 31.823 0.057 0.000 0.654 203 V HN 0.251 nan 8.190 nan 0.000 0.451 204 I N -0.395 120.195 120.570 0.034 0.000 2.110 204 I HA -0.215 3.954 4.170 -0.001 0.000 0.236 204 I C 2.556 178.679 176.117 0.010 0.000 1.068 204 I CA 1.869 63.180 61.300 0.019 0.000 1.333 204 I CB -1.078 36.931 38.000 0.015 0.000 1.054 204 I HN 0.251 nan 8.210 nan 0.000 0.402 205 T N 1.226 115.787 114.554 0.012 0.000 2.718 205 T HA -0.306 4.044 4.350 -0.001 0.000 0.266 205 T C 1.946 176.645 174.700 -0.002 0.000 1.033 205 T CA 1.793 63.895 62.100 0.004 0.000 1.151 205 T CB -0.473 68.401 68.868 0.010 0.000 0.853 205 T HN 0.536 nan 8.240 nan 0.000 0.466 206 A N 1.280 124.102 122.820 0.003 0.000 1.835 206 A HA -0.034 4.285 4.320 -0.001 0.000 0.215 206 A C 2.295 179.870 177.584 -0.015 0.000 1.199 206 A CA 1.405 53.437 52.037 -0.007 0.000 0.615 206 A CB -0.839 18.159 19.000 -0.003 0.000 0.838 206 A HN 0.492 nan 8.150 nan 0.000 0.444 207 I N -0.458 120.114 120.570 0.004 0.000 2.087 207 I HA -0.358 3.812 4.170 -0.001 0.000 0.240 207 I C 2.568 178.678 176.117 -0.011 0.000 1.054 207 I CA 2.274 63.582 61.300 0.015 0.000 1.311 207 I CB -0.606 37.442 38.000 0.079 0.000 1.024 207 I HN 0.391 nan 8.210 nan 0.000 0.402 208 K N 0.555 120.949 120.400 -0.009 0.000 2.228 208 K HA -0.216 4.103 4.320 -0.001 0.000 0.205 208 K C 1.735 178.318 176.600 -0.029 0.000 1.045 208 K CA 1.728 58.002 56.287 -0.022 0.000 0.931 208 K CB -0.055 32.428 32.500 -0.029 0.000 0.727 208 K HN 0.447 nan 8.250 nan 0.000 0.458 209 A N -0.750 122.051 122.820 -0.032 0.000 2.288 209 A HA 0.092 4.411 4.320 -0.001 0.000 0.216 209 A C 1.407 178.961 177.584 -0.051 0.000 1.199 209 A CA -0.035 51.980 52.037 -0.036 0.000 0.891 209 A CB 0.300 19.282 19.000 -0.028 0.000 0.923 209 A HN 0.261 nan 8.150 nan 0.000 0.500 210 Q N -0.887 118.870 119.800 -0.071 0.000 2.378 210 Q HA 0.070 4.409 4.340 -0.001 0.000 0.216 210 Q C -0.203 175.705 176.000 -0.152 0.000 0.892 210 Q CA 0.156 55.897 55.803 -0.105 0.000 0.931 210 Q CB 0.303 28.971 28.738 -0.116 0.000 1.086 210 Q HN 0.548 nan 8.270 nan 0.000 0.528 211 N N 0.801 119.412 118.700 -0.148 0.000 2.626 211 N HA 0.471 5.210 4.740 -0.001 0.000 0.249 211 N C -1.700 173.780 175.510 -0.050 0.000 1.021 211 N CA -0.127 52.825 53.050 -0.162 0.000 0.886 211 N CB 1.252 39.583 38.487 -0.261 0.000 1.149 211 N HN 0.104 nan 8.380 nan 0.000 0.517 212 A N 2.086 124.884 122.820 -0.037 0.000 2.585 212 A HA 0.304 4.623 4.320 -0.001 0.000 0.299 212 A C -1.523 176.055 177.584 -0.011 0.000 1.047 212 A CA -0.840 51.191 52.037 -0.011 0.000 0.723 212 A CB 0.992 19.981 19.000 -0.018 0.000 1.275 212 A HN 0.428 nan 8.150 nan 0.000 0.408 213 Q N 0.900 120.699 119.800 -0.001 0.000 2.296 213 Q HA 0.447 4.786 4.340 -0.001 0.000 0.262 213 Q C -0.557 175.438 176.000 -0.008 0.000 0.981 213 Q CA -0.010 55.791 55.803 -0.003 0.000 0.905 213 Q CB 1.655 30.394 28.738 0.002 0.000 1.186 213 Q HN 0.561 nan 8.270 nan 0.000 0.399 214 V N 1.818 121.726 119.914 -0.011 0.000 2.409 214 V HA 0.432 4.551 4.120 -0.001 0.000 0.291 214 V C -0.190 175.899 176.094 -0.009 0.000 1.020 214 V CA -0.981 61.313 62.300 -0.011 0.000 0.848 214 V CB 1.666 33.480 31.823 -0.014 0.000 0.990 214 V HN 0.820 nan 8.190 nan 0.000 0.430 215 A N 4.370 127.185 122.820 -0.008 0.000 2.396 215 A HA 0.774 5.093 4.320 -0.001 0.000 0.279 215 A C 0.410 177.990 177.584 -0.008 0.000 1.165 215 A CA 0.226 52.259 52.037 -0.007 0.000 0.824 215 A CB 0.119 19.115 19.000 -0.007 0.000 1.100 215 A HN 1.278 nan 8.150 nan 0.000 0.516 216 A N 2.656 125.472 122.820 -0.007 0.000 2.356 216 A HA 0.813 5.132 4.320 -0.001 0.000 0.323 216 A C 0.874 178.454 177.584 -0.006 0.000 1.119 216 A CA -0.061 51.972 52.037 -0.007 0.000 0.790 216 A CB 0.884 19.879 19.000 -0.007 0.000 1.273 216 A HN 1.346 nan 8.150 nan 0.000 0.452 217 G N -0.078 108.719 108.800 -0.006 0.000 2.820 217 G HA2 0.450 4.410 3.960 -0.001 0.000 0.158 217 G HA3 0.450 4.410 3.960 -0.001 0.000 0.158 217 G C 0.154 175.052 174.900 -0.005 0.000 1.715 217 G CA 0.664 45.761 45.100 -0.005 0.000 1.057 217 G HN 1.024 nan 8.290 nan 0.000 0.525 218 Q N -1.929 117.868 119.800 -0.004 0.000 2.857 218 Q HA 0.622 4.961 4.340 -0.001 0.000 0.319 218 Q C -1.467 174.531 176.000 -0.004 0.000 0.963 218 Q CA -0.957 54.844 55.803 -0.004 0.000 0.770 218 Q CB 1.696 30.432 28.738 -0.004 0.000 1.492 218 Q HN 0.314 nan 8.270 nan 0.000 0.493 219 L N 1.053 122.274 121.223 -0.003 0.000 2.265 219 L HA 0.532 4.871 4.340 -0.001 0.000 0.289 219 L C 0.357 177.225 176.870 -0.003 0.000 1.033 219 L CA -0.095 54.743 54.840 -0.003 0.000 0.814 219 L CB 1.361 43.418 42.059 -0.003 0.000 1.203 219 L HN 1.042 nan 8.230 nan 0.000 0.423 220 G N 2.718 111.516 108.800 -0.003 0.000 2.392 220 G HA2 -0.117 3.843 3.960 -0.001 0.000 0.290 220 G HA3 -0.117 3.843 3.960 -0.001 0.000 0.290 220 G C 0.132 175.031 174.900 -0.003 0.000 1.032 220 G CA 0.084 45.183 45.100 -0.003 0.000 1.269 220 G HN 0.966 nan 8.290 nan 0.000 0.511 221 G N -0.901 107.897 108.800 -0.003 0.000 2.685 221 G HA2 0.974 4.933 3.960 -0.001 0.000 0.298 221 G HA3 0.974 4.933 3.960 -0.001 0.000 0.298 221 G C 1.030 175.928 174.900 -0.003 0.000 1.277 221 G CA 0.977 46.075 45.100 -0.003 0.000 0.986 221 G HN 1.811 nan 8.290 nan 0.000 0.487 222 T N -1.540 113.013 114.554 -0.003 0.000 13.084 222 T HA -0.299 4.050 4.350 -0.001 0.000 0.413 222 T C -1.438 173.261 174.700 -0.003 0.000 1.448 222 T CA 1.494 63.592 62.100 -0.003 0.000 2.331 222 T CB -2.805 66.061 68.868 -0.003 0.000 2.773 222 T HN 0.838 nan 8.240 nan 0.000 0.614 223 P HA 0.529 nan 4.420 nan 0.000 0.270 223 P C -2.615 174.684 177.300 -0.002 0.000 1.551 223 P CA -1.352 61.746 63.100 -0.002 0.000 1.049 223 P CB 1.199 32.897 31.700 -0.002 0.000 1.397 224 P HA 0.195 nan 4.420 nan 0.000 0.285 224 P C -0.342 176.957 177.300 -0.002 0.000 1.269 224 P CA -0.627 62.471 63.100 -0.002 0.000 0.844 224 P CB 1.479 33.178 31.700 -0.002 0.000 1.094 225 V N 3.396 123.309 119.914 -0.002 0.000 2.409 225 V HA -0.014 4.105 4.120 -0.001 0.000 0.270 225 V C 1.157 177.250 176.094 -0.002 0.000 1.019 225 V CA 0.046 62.345 62.300 -0.002 0.000 1.066 225 V CB -0.964 30.858 31.823 -0.002 0.000 1.021 225 V HN 0.537 nan 8.190 nan 0.000 0.476 226 K N 4.060 124.459 120.400 -0.002 0.000 2.578 226 K HA 0.140 4.459 4.320 -0.001 0.000 0.279 226 K C 1.327 177.926 176.600 -0.001 0.000 0.983 226 K CA 1.083 57.369 56.287 -0.002 0.000 1.078 226 K CB 0.013 32.512 32.500 -0.001 0.000 0.852 226 K HN 1.068 nan 8.250 nan 0.000 0.490 227 G N 1.488 110.287 108.800 -0.001 0.000 2.213 227 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.226 227 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.226 227 G C 0.034 174.933 174.900 -0.001 0.000 0.992 227 G CA 0.170 45.270 45.100 -0.001 0.000 0.632 227 G HN 0.598 nan 8.290 nan 0.000 0.511 228 Q N 0.103 119.902 119.800 -0.002 0.000 2.364 228 Q HA 0.608 4.947 4.340 -0.001 0.000 0.267 228 Q C 1.218 177.217 176.000 -0.002 0.000 0.999 228 Q CA 0.718 56.520 55.803 -0.002 0.000 0.886 228 Q CB 0.938 29.675 28.738 -0.002 0.000 1.243 228 Q HN 0.284 nan 8.270 nan 0.000 0.415 229 Q N 2.185 121.984 119.800 -0.001 0.000 2.422 229 Q HA 0.349 4.688 4.340 -0.001 0.000 0.255 229 Q C -0.599 175.400 176.000 -0.001 0.000 0.864 229 Q CA 0.193 55.995 55.803 -0.001 0.000 0.968 229 Q CB 0.536 29.273 28.738 -0.001 0.000 1.130 229 Q HN 0.730 nan 8.270 nan 0.000 0.556 230 L N 0.847 122.069 121.223 -0.002 0.000 2.360 230 L HA 0.502 4.842 4.340 -0.001 0.000 0.271 230 L C -0.827 176.042 176.870 -0.002 0.000 1.057 230 L CA -0.286 54.553 54.840 -0.002 0.000 0.803 230 L CB 1.197 43.255 42.059 -0.002 0.000 1.207 230 L HN 0.170 nan 8.230 nan 0.000 0.445 231 N N 4.005 122.704 118.700 -0.002 0.000 2.664 231 N HA 0.542 5.281 4.740 -0.001 0.000 0.268 231 N C -1.866 173.643 175.510 -0.002 0.000 1.222 231 N CA -0.349 52.700 53.050 -0.002 0.000 0.805 231 N CB 1.478 39.963 38.487 -0.002 0.000 1.399 231 N HN 0.849 nan 8.380 nan 0.000 0.547 232 A N 1.876 124.694 122.820 -0.002 0.000 2.413 232 A HA 0.699 5.018 4.320 -0.001 0.000 0.307 232 A C -0.330 177.252 177.584 -0.003 0.000 1.087 232 A CA -0.511 51.525 52.037 -0.003 0.000 0.750 232 A CB 1.729 20.727 19.000 -0.002 0.000 1.296 232 A HN 0.461 nan 8.150 nan 0.000 0.423 233 S N 0.265 115.963 115.700 -0.003 0.000 2.617 233 S HA 0.520 4.989 4.470 -0.001 0.000 0.269 233 S C -0.039 174.559 174.600 -0.004 0.000 1.292 233 S CA -0.132 58.066 58.200 -0.003 0.000 1.010 233 S CB 0.390 63.588 63.200 -0.004 0.000 0.944 233 S HN 0.485 nan 8.310 nan 0.000 0.536 234 I N 2.628 123.195 120.570 -0.004 0.000 2.460 234 I HA 0.396 4.565 4.170 -0.001 0.000 0.298 234 I C -0.658 175.456 176.117 -0.005 0.000 0.989 234 I CA -0.581 60.716 61.300 -0.005 0.000 1.173 234 I CB 1.166 39.163 38.000 -0.005 0.000 1.338 234 I HN 0.311 nan 8.210 nan 0.000 0.456 235 I N 4.520 125.086 120.570 -0.005 0.000 2.509 235 I HA 0.565 4.734 4.170 -0.001 0.000 0.293 235 I C 0.411 176.523 176.117 -0.008 0.000 1.020 235 I CA -0.166 61.130 61.300 -0.006 0.000 1.088 235 I CB 1.428 39.425 38.000 -0.005 0.000 1.267 235 I HN 0.688 nan 8.210 nan 0.000 0.430 236 A N 5.942 128.757 122.820 -0.009 0.000 3.708 236 A HA 0.518 4.837 4.320 -0.001 0.000 0.178 236 A C -0.032 177.543 177.584 -0.014 0.000 1.050 236 A CA -0.270 51.760 52.037 -0.012 0.000 1.245 236 A CB 0.145 19.137 19.000 -0.012 0.000 1.600 236 A HN 0.634 nan 8.150 nan 0.000 0.697 237 Q N -0.086 119.703 119.800 -0.018 0.000 2.392 237 Q HA 0.437 4.776 4.340 -0.001 0.000 0.262 237 Q C -0.588 175.401 176.000 -0.018 0.000 1.003 237 Q CA 0.541 56.330 55.803 -0.024 0.000 0.888 237 Q CB 0.633 29.353 28.738 -0.031 0.000 1.260 237 Q HN 0.561 nan 8.270 nan 0.000 0.435 238 T N 1.506 116.049 114.554 -0.019 0.000 2.971 238 T HA 0.316 4.665 4.350 -0.001 0.000 0.304 238 T C -0.814 173.883 174.700 -0.006 0.000 1.038 238 T CA -0.766 61.330 62.100 -0.007 0.000 1.007 238 T CB 0.773 69.640 68.868 -0.001 0.000 1.055 238 T HN 0.565 nan 8.240 nan 0.000 0.451 239 R N 2.574 123.082 120.500 0.013 0.000 2.547 239 R HA 0.027 4.366 4.340 -0.001 0.000 0.269 239 R C 0.207 176.537 176.300 0.050 0.000 0.968 239 R CA -0.232 55.892 56.100 0.040 0.000 1.101 239 R CB 0.069 30.423 30.300 0.090 0.000 0.898 239 R HN 0.393 nan 8.270 nan 0.000 0.416 240 L N 1.661 122.891 121.223 0.011 0.000 2.473 240 L HA 0.008 4.347 4.340 -0.001 0.000 0.265 240 L C 1.666 178.694 176.870 0.264 0.000 1.243 240 L CA 1.152 55.993 54.840 0.001 0.000 0.822 240 L CB 0.653 42.478 42.059 -0.389 0.000 1.101 240 L HN 0.924 nan 8.230 nan 0.000 0.507 241 T N -4.735 109.971 114.554 0.253 0.000 3.046 241 T HA 0.219 4.568 4.350 -0.001 0.000 0.270 241 T C 0.205 175.090 174.700 0.308 0.000 0.920 241 T CA 0.299 62.599 62.100 0.333 0.000 0.874 241 T CB 0.080 69.058 68.868 0.184 0.000 1.214 241 T HN 0.546 nan 8.240 nan 0.000 0.536 242 S N 0.138 115.979 115.700 0.234 0.000 2.536 242 S HA 0.503 4.972 4.470 -0.001 0.000 0.287 242 S C 0.907 175.601 174.600 0.156 0.000 1.101 242 S CA 0.088 58.385 58.200 0.162 0.000 0.950 242 S CB 1.667 64.930 63.200 0.105 0.000 1.056 242 S HN 0.034 nan 8.310 nan 0.000 0.481 243 T N 0.982 115.570 114.554 0.056 0.000 2.802 243 T HA -0.175 4.174 4.350 -0.001 0.000 0.269 243 T C 1.358 176.106 174.700 0.079 0.000 1.062 243 T CA 2.115 64.219 62.100 0.005 0.000 1.133 243 T CB -0.568 68.278 68.868 -0.035 0.000 0.852 243 T HN 0.647 nan 8.240 nan 0.000 0.485 244 E N 0.772 121.017 120.200 0.074 0.000 2.072 244 E HA -0.048 4.301 4.350 -0.001 0.000 0.190 244 E C 2.282 178.915 176.600 0.056 0.000 0.982 244 E CA 1.048 57.483 56.400 0.058 0.000 0.803 244 E CB -0.245 29.480 29.700 0.041 0.000 0.755 244 E HN 0.731 nan 8.360 nan 0.000 0.453 245 E N -0.317 119.918 120.200 0.059 0.000 2.106 245 E HA -0.129 4.220 4.350 -0.001 0.000 0.192 245 E C 1.888 178.447 176.600 -0.068 0.000 0.984 245 E CA 0.617 57.004 56.400 -0.022 0.000 0.806 245 E CB -0.191 29.472 29.700 -0.062 0.000 0.750 245 E HN 0.184 nan 8.360 nan 0.000 0.458 246 F N 0.499 120.408 119.950 -0.069 0.000 2.234 246 F HA -0.050 4.476 4.527 -0.001 0.000 0.299 246 F C 2.431 178.190 175.800 -0.068 0.000 1.087 246 F CA 1.198 59.146 58.000 -0.087 0.000 1.340 246 F CB -0.364 38.551 39.000 -0.141 0.000 1.031 246 F HN 0.067 nan 8.300 nan 0.000 0.500 247 G N -0.544 108.327 108.800 0.119 0.000 2.471 247 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.219 247 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.219 247 G C 1.572 176.478 174.900 0.010 0.000 1.125 247 G CA 0.384 45.516 45.100 0.053 0.000 0.775 247 G HN 0.271 nan 8.290 nan 0.000 0.548 248 K N -0.232 120.164 120.400 -0.007 0.000 2.444 248 K HA 0.244 4.563 4.320 -0.001 0.000 0.193 248 K C 0.592 177.162 176.600 -0.050 0.000 1.024 248 K CA -0.407 55.861 56.287 -0.031 0.000 1.077 248 K CB 0.236 32.716 32.500 -0.034 0.000 0.833 248 K HN 0.297 nan 8.250 nan 0.000 0.517 249 I N 1.897 122.434 120.570 -0.055 0.000 2.932 249 I HA -0.173 3.996 4.170 -0.001 0.000 0.295 249 I C 0.113 176.194 176.117 -0.059 0.000 1.227 249 I CA -0.050 61.210 61.300 -0.067 0.000 1.429 249 I CB 0.202 38.168 38.000 -0.057 0.000 1.339 249 I HN -0.012 nan 8.210 nan 0.000 0.589 250 L N 6.968 128.155 121.223 -0.059 0.000 2.262 250 L HA 0.266 4.605 4.340 -0.001 0.000 0.288 250 L C 0.432 177.271 176.870 -0.052 0.000 1.035 250 L CA 0.271 55.076 54.840 -0.058 0.000 0.820 250 L CB 0.887 42.916 42.059 -0.050 0.000 1.204 250 L HN 0.536 nan 8.230 nan 0.000 0.424 251 L N 4.242 125.426 121.223 -0.066 0.000 2.307 251 L HA 0.151 4.490 4.340 -0.001 0.000 0.211 251 L C 0.447 177.296 176.870 -0.035 0.000 1.099 251 L CA 0.323 55.134 54.840 -0.050 0.000 0.816 251 L CB -0.278 41.740 42.059 -0.068 0.000 0.952 251 L HN 0.685 nan 8.230 nan 0.000 0.455 252 K N -1.230 119.142 120.400 -0.048 0.000 2.653 252 K HA 0.290 4.609 4.320 -0.001 0.000 0.274 252 K C -1.657 174.928 176.600 -0.025 0.000 0.974 252 K CA -0.766 55.509 56.287 -0.021 0.000 0.868 252 K CB 1.476 33.979 32.500 0.006 0.000 1.408 252 K HN -0.295 nan 8.250 nan 0.000 0.397 253 V N 2.394 122.303 119.914 -0.008 0.000 2.383 253 V HA 0.229 4.348 4.120 -0.001 0.000 0.275 253 V C 0.068 176.170 176.094 0.013 0.000 1.036 253 V CA -0.754 61.544 62.300 -0.005 0.000 0.889 253 V CB 0.964 32.784 31.823 -0.004 0.000 0.985 253 V HN 0.742 nan 8.190 nan 0.000 0.459 254 N N 3.121 121.835 118.700 0.024 0.000 2.424 254 N HA 0.142 4.881 4.740 -0.001 0.000 0.257 254 N C 1.137 176.667 175.510 0.033 0.000 1.250 254 N CA -0.287 52.791 53.050 0.046 0.000 0.946 254 N CB 0.686 39.219 38.487 0.078 0.000 1.175 254 N HN 0.570 nan 8.380 nan 0.000 0.477 255 Q N 0.497 120.318 119.800 0.034 0.000 2.002 255 Q HA -0.162 4.177 4.340 -0.001 0.000 0.204 255 Q C 0.258 176.270 176.000 0.020 0.000 0.988 255 Q CA 1.478 57.295 55.803 0.023 0.000 0.843 255 Q CB -0.651 28.099 28.738 0.020 0.000 0.908 255 Q HN 0.777 nan 8.270 nan 0.000 0.420 256 D N -0.743 119.671 120.400 0.024 0.000 2.413 256 D HA -0.010 4.630 4.640 -0.001 0.000 0.262 256 D C 1.044 177.356 176.300 0.019 0.000 1.254 256 D CA 0.936 54.948 54.000 0.020 0.000 0.942 256 D CB -0.750 40.064 40.800 0.023 0.000 0.937 256 D HN 0.430 nan 8.370 nan 0.000 0.508 257 G N -0.170 108.640 108.800 0.017 0.000 2.267 257 G HA2 -0.354 3.605 3.960 -0.001 0.000 0.257 257 G HA3 -0.354 3.605 3.960 -0.001 0.000 0.257 257 G C 0.595 175.503 174.900 0.012 0.000 0.998 257 G CA 0.690 45.798 45.100 0.012 0.000 0.620 257 G HN 0.867 nan 8.290 nan 0.000 0.529 258 S N -0.186 115.527 115.700 0.021 0.000 2.626 258 S HA 0.760 5.229 4.470 -0.001 0.000 0.257 258 S C 0.305 174.910 174.600 0.009 0.000 1.288 258 S CA 0.093 58.305 58.200 0.020 0.000 0.980 258 S CB 1.268 64.492 63.200 0.040 0.000 0.975 258 S HN 0.723 nan 8.310 nan 0.000 0.577 259 R N -0.819 119.675 120.500 -0.010 0.000 2.725 259 R HA 0.635 4.974 4.340 -0.001 0.000 0.277 259 R C -1.807 174.427 176.300 -0.110 0.000 0.987 259 R CA -0.912 55.161 56.100 -0.044 0.000 0.901 259 R CB 2.158 32.432 30.300 -0.045 0.000 1.207 259 R HN 0.482 nan 8.270 nan 0.000 0.463 260 V N 4.127 123.930 119.914 -0.185 0.000 2.334 260 V HA 0.383 4.502 4.120 -0.001 0.000 0.281 260 V C 0.026 175.955 176.094 -0.275 0.000 1.016 260 V CA -0.690 61.370 62.300 -0.400 0.000 0.832 260 V CB 1.137 32.558 31.823 -0.669 0.000 0.999 260 V HN 0.503 nan 8.190 nan 0.000 0.439 261 L N 3.702 124.784 121.223 -0.234 0.000 2.387 261 L HA 0.394 4.733 4.340 -0.001 0.000 0.266 261 L C 1.361 178.153 176.870 -0.130 0.000 1.059 261 L CA -0.729 54.026 54.840 -0.141 0.000 0.801 261 L CB 1.014 43.018 42.059 -0.091 0.000 1.223 261 L HN 0.489 nan 8.230 nan 0.000 0.456 262 L N 1.655 122.836 121.223 -0.070 0.000 2.021 262 L HA -0.221 4.119 4.340 -0.001 0.000 0.215 262 L C 2.697 179.550 176.870 -0.027 0.000 1.074 262 L CA 1.888 56.708 54.840 -0.034 0.000 0.760 262 L CB -0.861 41.205 42.059 0.011 0.000 0.889 262 L HN 0.700 nan 8.230 nan 0.000 0.433 263 R N -0.430 120.058 120.500 -0.019 0.000 2.174 263 R HA -0.224 4.115 4.340 -0.001 0.000 0.253 263 R C 1.405 177.700 176.300 -0.009 0.000 1.165 263 R CA 2.060 58.158 56.100 -0.003 0.000 0.984 263 R CB -0.592 29.706 30.300 -0.003 0.000 0.873 263 R HN 0.545 nan 8.270 nan 0.000 0.456 264 D N -0.141 120.222 120.400 -0.061 0.000 2.347 264 D HA -0.063 4.576 4.640 -0.001 0.000 0.215 264 D C 1.459 177.764 176.300 0.007 0.000 0.976 264 D CA 1.058 55.021 54.000 -0.063 0.000 0.884 264 D CB 0.430 41.076 40.800 -0.257 0.000 0.915 264 D HN 0.368 nan 8.370 nan 0.000 0.526 265 V N -3.374 116.538 119.914 -0.004 0.000 3.253 265 V HA 0.751 4.871 4.120 -0.001 0.000 0.320 265 V C 0.144 176.270 176.094 0.052 0.000 1.442 265 V CA -0.226 62.106 62.300 0.053 0.000 1.097 265 V CB 0.053 31.905 31.823 0.049 0.000 1.008 265 V HN 0.041 nan 8.190 nan 0.000 0.463 266 A N 0.227 123.081 122.820 0.056 0.000 2.582 266 A HA 0.601 4.920 4.320 -0.001 0.000 0.297 266 A C -0.845 176.798 177.584 0.099 0.000 1.059 266 A CA -0.692 51.395 52.037 0.084 0.000 0.705 266 A CB 1.343 20.383 19.000 0.066 0.000 1.279 266 A HN 0.279 nan 8.150 nan 0.000 0.404 267 K N 1.786 122.285 120.400 0.165 0.000 2.322 267 K HA 0.585 4.904 4.320 -0.001 0.000 0.283 267 K C -1.041 175.669 176.600 0.183 0.000 1.042 267 K CA -0.049 56.347 56.287 0.181 0.000 0.958 267 K CB 0.235 32.875 32.500 0.232 0.000 0.984 267 K HN 0.549 nan 8.250 nan 0.000 0.473 268 I N 5.586 126.219 120.570 0.105 0.000 2.390 268 I HA 0.209 4.378 4.170 -0.001 0.000 0.283 268 I C -0.479 175.653 176.117 0.024 0.000 1.016 268 I CA -0.456 60.859 61.300 0.025 0.000 1.151 268 I CB 1.255 39.250 38.000 -0.008 0.000 1.293 268 I HN 0.717 nan 8.210 nan 0.000 0.458 269 E N 5.829 126.050 120.200 0.035 0.000 2.429 269 E HA 0.560 4.909 4.350 -0.001 0.000 0.276 269 E C -1.525 175.060 176.600 -0.025 0.000 0.953 269 E CA -1.141 55.278 56.400 0.031 0.000 0.787 269 E CB 1.857 31.636 29.700 0.130 0.000 1.307 269 E HN 0.191 nan 8.360 nan 0.000 0.458 270 L N 1.854 123.013 121.223 -0.107 0.000 2.385 270 L HA 0.483 4.822 4.340 -0.001 0.000 0.281 270 L C 0.549 177.403 176.870 -0.026 0.000 1.106 270 L CA 0.732 55.455 54.840 -0.195 0.000 0.856 270 L CB 0.542 42.279 42.059 -0.536 0.000 1.186 270 L HN 0.710 nan 8.230 nan 0.000 0.453 271 G N 1.359 110.280 108.800 0.202 0.000 3.013 271 G HA2 0.684 4.643 3.960 -0.001 0.000 0.278 271 G HA3 0.684 4.643 3.960 -0.001 0.000 0.278 271 G C -0.273 174.809 174.900 0.303 0.000 1.353 271 G CA -0.457 44.896 45.100 0.422 0.000 1.043 271 G HN 0.721 nan 8.290 nan 0.000 0.523 272 G N -1.395 107.333 108.800 -0.121 0.000 2.634 272 G HA2 0.379 4.338 3.960 -0.001 0.000 0.255 272 G HA3 0.379 4.338 3.960 -0.001 0.000 0.255 272 G C 0.476 175.277 174.900 -0.166 0.000 1.205 272 G CA -0.166 44.755 45.100 -0.299 0.000 0.884 272 G HN 0.567 nan 8.290 nan 0.000 0.549 273 E N -0.265 119.848 120.200 -0.143 0.000 2.216 273 E HA -0.038 4.311 4.350 -0.001 0.000 0.192 273 E C 0.505 176.914 176.600 -0.317 0.000 0.988 273 E CA 0.607 56.874 56.400 -0.222 0.000 0.834 273 E CB 0.087 29.758 29.700 -0.048 0.000 0.772 273 E HN 0.633 nan 8.360 nan 0.000 0.479 274 N N -0.991 117.608 118.700 -0.167 0.000 2.371 274 N HA 0.018 4.757 4.740 -0.001 0.000 0.280 274 N C -1.316 174.191 175.510 -0.006 0.000 1.084 274 N CA -0.486 52.557 53.050 -0.012 0.000 0.892 274 N CB 0.631 39.113 38.487 -0.008 0.000 1.653 274 N HN -0.158 nan 8.380 nan 0.000 0.480 275 Y N 0.762 121.081 120.300 0.031 0.000 2.811 275 Y HA 0.244 4.793 4.550 -0.001 0.000 0.330 275 Y C 0.754 176.679 175.900 0.042 0.000 1.081 275 Y CA -0.554 57.571 58.100 0.042 0.000 1.408 275 Y CB 0.163 38.650 38.460 0.045 0.000 1.235 275 Y HN 0.589 nan 8.280 nan 0.000 0.529 276 D N 0.665 121.164 120.400 0.165 0.000 2.120 276 D HA -0.022 4.617 4.640 -0.001 0.000 0.202 276 D C 0.429 176.809 176.300 0.133 0.000 0.972 276 D CA 0.921 55.006 54.000 0.141 0.000 0.837 276 D CB 0.255 41.135 40.800 0.133 0.000 0.989 276 D HN 0.370 nan 8.370 nan 0.000 0.469 277 I N 0.251 120.896 120.570 0.126 0.000 2.385 277 I HA 0.387 4.556 4.170 -0.001 0.000 0.294 277 I C -0.781 175.389 176.117 0.088 0.000 0.988 277 I CA -0.689 60.693 61.300 0.138 0.000 1.265 277 I CB 1.171 39.286 38.000 0.193 0.000 1.388 277 I HN 0.012 nan 8.210 nan 0.000 0.480 278 I N 4.081 124.691 120.570 0.068 0.000 2.644 278 I HA 0.940 5.109 4.170 -0.001 0.000 0.291 278 I C -0.997 175.101 176.117 -0.032 0.000 1.180 278 I CA -0.841 60.471 61.300 0.020 0.000 1.040 278 I CB 1.611 39.624 38.000 0.022 0.000 1.255 278 I HN 0.857 nan 8.210 nan 0.000 0.422 279 A N 4.520 127.286 122.820 -0.091 0.000 2.479 279 A HA 0.908 5.227 4.320 -0.001 0.000 0.296 279 A C -1.044 176.357 177.584 -0.305 0.000 1.121 279 A CA -0.630 51.258 52.037 -0.248 0.000 0.743 279 A CB 2.029 20.794 19.000 -0.392 0.000 1.323 279 A HN 0.840 nan 8.150 nan 0.000 0.415 280 E N -0.240 119.718 120.200 -0.404 0.000 2.314 280 E HA 0.434 4.783 4.350 -0.001 0.000 0.272 280 E C -1.940 174.458 176.600 -0.337 0.000 0.884 280 E CA -0.472 55.758 56.400 -0.284 0.000 0.753 280 E CB 2.600 32.200 29.700 -0.165 0.000 1.213 280 E HN 0.464 nan 8.360 nan 0.000 0.432 281 F N 3.916 123.659 119.950 -0.346 0.000 2.310 281 F HA 0.356 4.882 4.527 -0.001 0.000 0.365 281 F C -0.258 175.472 175.800 -0.116 0.000 1.080 281 F CA -0.784 57.078 58.000 -0.230 0.000 1.187 281 F CB -0.140 38.790 39.000 -0.116 0.000 1.465 281 F HN 0.445 nan 8.300 nan 0.000 0.496 282 N N 3.724 122.227 118.700 -0.330 0.000 2.862 282 N HA -0.161 4.578 4.740 -0.001 0.000 0.246 282 N C 1.023 176.434 175.510 -0.165 0.000 1.111 282 N CA 0.960 53.821 53.050 -0.315 0.000 0.688 282 N CB -1.330 36.867 38.487 -0.485 0.000 1.018 282 N HN 1.154 nan 8.380 nan 0.000 0.556 283 G N -0.350 108.378 108.800 -0.120 0.000 2.284 283 G HA2 -0.393 3.566 3.960 -0.001 0.000 0.261 283 G HA3 -0.393 3.566 3.960 -0.001 0.000 0.261 283 G C -0.002 174.861 174.900 -0.062 0.000 0.997 283 G CA 0.969 46.022 45.100 -0.078 0.000 0.621 283 G HN 0.648 nan 8.290 nan 0.000 0.534 284 Q N 1.447 121.215 119.800 -0.054 0.000 2.267 284 Q HA 0.520 4.859 4.340 -0.001 0.000 0.255 284 Q C -2.343 173.643 176.000 -0.024 0.000 0.923 284 Q CA -1.990 53.802 55.803 -0.019 0.000 0.925 284 Q CB 1.223 29.973 28.738 0.021 0.000 1.195 284 Q HN 0.219 nan 8.270 nan 0.000 0.417 285 P HA 0.078 nan 4.420 nan 0.000 0.266 285 P C -1.516 175.756 177.300 -0.046 0.000 1.195 285 P CA 0.319 63.391 63.100 -0.047 0.000 0.768 285 P CB 0.921 32.604 31.700 -0.029 0.000 0.838 286 A N 1.370 124.143 122.820 -0.078 0.000 2.566 286 A HA 0.676 4.996 4.320 -0.001 0.000 0.290 286 A C -0.811 176.742 177.584 -0.052 0.000 1.071 286 A CA -0.288 51.707 52.037 -0.070 0.000 0.658 286 A CB 1.082 20.041 19.000 -0.067 0.000 1.285 286 A HN 0.401 nan 8.150 nan 0.000 0.427 287 S N -1.790 113.915 115.700 0.008 0.000 2.874 287 S HA 0.975 5.444 4.470 -0.001 0.000 0.318 287 S C 0.038 174.753 174.600 0.192 0.000 1.109 287 S CA 0.295 58.548 58.200 0.088 0.000 0.878 287 S CB 1.700 64.909 63.200 0.016 0.000 1.307 287 S HN 2.554 nan 8.310 nan 0.000 0.592 288 G N -0.231 108.682 108.800 0.189 0.000 2.342 288 G HA2 0.435 4.394 3.960 -0.001 0.000 0.297 288 G HA3 0.435 4.394 3.960 -0.001 0.000 0.297 288 G C -2.421 172.502 174.900 0.038 0.000 1.313 288 G CA -0.763 44.412 45.100 0.125 0.000 0.830 288 G HN 0.726 nan 8.290 nan 0.000 0.506 289 L N 1.155 122.351 121.223 -0.046 0.000 2.345 289 L HA 0.564 4.903 4.340 -0.001 0.000 0.274 289 L C 0.736 177.547 176.870 -0.098 0.000 0.999 289 L CA -0.692 54.087 54.840 -0.103 0.000 0.849 289 L CB 2.087 44.104 42.059 -0.070 0.000 1.220 289 L HN 0.765 nan 8.230 nan 0.000 0.422 290 G N 4.988 113.672 108.800 -0.194 0.000 3.161 290 G HA2 0.435 4.394 3.960 -0.001 0.000 0.293 290 G HA3 0.435 4.394 3.960 -0.001 0.000 0.293 290 G C 0.273 175.293 174.900 0.199 0.000 0.893 290 G CA -0.291 44.883 45.100 0.123 0.000 1.756 290 G HN 0.447 nan 8.290 nan 0.000 0.549 291 I N 0.209 120.870 120.570 0.153 0.000 3.004 291 I HA 0.307 4.476 4.170 -0.001 0.000 0.287 291 I C 0.752 176.878 176.117 0.014 0.000 1.144 291 I CA 0.090 61.425 61.300 0.058 0.000 1.353 291 I CB 0.872 38.907 38.000 0.058 0.000 1.417 291 I HN 0.236 nan 8.210 nan 0.000 0.602 292 K N 2.263 122.642 120.400 -0.036 0.000 2.092 292 K HA 0.675 4.994 4.320 -0.001 0.000 0.252 292 K C -1.286 175.315 176.600 0.003 0.000 0.988 292 K CA -0.888 55.362 56.287 -0.062 0.000 0.837 292 K CB 1.592 34.006 32.500 -0.144 0.000 1.493 292 K HN 0.328 nan 8.250 nan 0.000 0.449 293 L N 0.263 121.490 121.223 0.006 0.000 2.283 293 L HA 0.661 5.000 4.340 -0.001 0.000 0.259 293 L C -1.132 175.750 176.870 0.021 0.000 1.027 293 L CA -1.028 53.831 54.840 0.032 0.000 0.828 293 L CB 2.136 44.230 42.059 0.059 0.000 1.380 293 L HN 0.756 nan 8.230 nan 0.000 0.425 294 A N 0.421 123.257 122.820 0.027 0.000 2.303 294 A HA 0.564 4.883 4.320 -0.001 0.000 0.320 294 A C -0.119 177.483 177.584 0.030 0.000 1.192 294 A CA -0.421 51.629 52.037 0.021 0.000 0.821 294 A CB 0.719 19.727 19.000 0.013 0.000 1.188 294 A HN 0.677 nan 8.150 nan 0.000 0.492 295 T N 1.687 116.260 114.554 0.031 0.000 2.720 295 T HA 0.207 4.556 4.350 -0.001 0.000 0.255 295 T C 1.472 176.195 174.700 0.039 0.000 1.021 295 T CA 1.990 64.115 62.100 0.040 0.000 1.145 295 T CB -0.098 68.790 68.868 0.033 0.000 1.036 295 T HN 2.166 nan 8.240 nan 0.000 0.479 296 G N 1.933 110.766 108.800 0.055 0.000 2.379 296 G HA2 -0.051 3.908 3.960 -0.001 0.000 0.297 296 G HA3 -0.051 3.908 3.960 -0.001 0.000 0.297 296 G C 0.432 175.361 174.900 0.049 0.000 1.004 296 G CA 0.270 45.403 45.100 0.055 0.000 0.921 296 G HN 1.264 nan 8.290 nan 0.000 0.511 297 A N -0.342 122.510 122.820 0.054 0.000 2.275 297 A HA 0.547 4.866 4.320 -0.001 0.000 0.276 297 A C 0.995 178.612 177.584 0.055 0.000 1.232 297 A CA 0.348 52.414 52.037 0.049 0.000 0.814 297 A CB 0.247 19.279 19.000 0.052 0.000 1.145 297 A HN 0.536 nan 8.150 nan 0.000 0.508 298 N N -1.073 117.658 118.700 0.051 0.000 2.476 298 N HA 0.465 5.204 4.740 -0.001 0.000 0.287 298 N C 0.631 176.178 175.510 0.062 0.000 1.262 298 N CA 0.239 53.319 53.050 0.051 0.000 0.980 298 N CB 0.504 39.014 38.487 0.039 0.000 1.163 298 N HN 0.808 nan 8.380 nan 0.000 0.592 299 A N 0.321 123.176 122.820 0.057 0.000 2.199 299 A HA -0.014 4.306 4.320 -0.001 0.000 0.300 299 A C 1.674 179.296 177.584 0.063 0.000 1.308 299 A CA 0.342 52.415 52.037 0.060 0.000 0.886 299 A CB -0.635 18.393 19.000 0.046 0.000 1.139 299 A HN 0.693 nan 8.150 nan 0.000 0.513 300 L N -2.420 118.838 121.223 0.059 0.000 2.349 300 L HA -0.128 4.211 4.340 -0.001 0.000 0.220 300 L C 1.226 178.129 176.870 0.055 0.000 1.130 300 L CA 2.374 57.253 54.840 0.065 0.000 0.791 300 L CB -1.310 40.782 42.059 0.056 0.000 0.918 300 L HN 0.555 nan 8.230 nan 0.000 0.444 301 D N 0.507 120.934 120.400 0.044 0.000 2.286 301 D HA -0.263 4.376 4.640 -0.001 0.000 0.195 301 D C 1.907 178.231 176.300 0.040 0.000 1.012 301 D CA 2.113 56.135 54.000 0.036 0.000 0.901 301 D CB -0.446 40.373 40.800 0.031 0.000 0.903 301 D HN 0.554 nan 8.370 nan 0.000 0.451 302 T N 0.456 115.039 114.554 0.049 0.000 2.668 302 T HA -0.082 4.267 4.350 -0.001 0.000 0.262 302 T C 2.056 176.789 174.700 0.055 0.000 1.045 302 T CA 1.744 63.874 62.100 0.050 0.000 1.152 302 T CB -0.297 68.606 68.868 0.058 0.000 0.864 302 T HN 0.286 nan 8.240 nan 0.000 0.419 303 A N 1.176 124.036 122.820 0.067 0.000 1.969 303 A HA 0.274 4.593 4.320 -0.001 0.000 0.218 303 A C 2.588 180.207 177.584 0.060 0.000 1.169 303 A CA 1.639 53.720 52.037 0.074 0.000 0.635 303 A CB -0.970 18.084 19.000 0.089 0.000 0.810 303 A HN 0.490 nan 8.150 nan 0.000 0.445 304 A N 0.050 122.898 122.820 0.048 0.000 1.883 304 A HA 0.142 4.461 4.320 -0.001 0.000 0.217 304 A C 2.210 179.816 177.584 0.036 0.000 1.186 304 A CA 1.930 53.989 52.037 0.035 0.000 0.624 304 A CB -0.855 18.161 19.000 0.028 0.000 0.822 304 A HN 1.158 nan 8.150 nan 0.000 0.444 305 A N -1.518 121.323 122.820 0.036 0.000 2.327 305 A HA 0.490 4.809 4.320 -0.001 0.000 0.228 305 A C 1.552 179.160 177.584 0.040 0.000 1.275 305 A CA 0.110 52.167 52.037 0.033 0.000 0.875 305 A CB -0.422 18.594 19.000 0.026 0.000 0.925 305 A HN 0.489 nan 8.150 nan 0.000 0.493 306 I N -1.814 118.787 120.570 0.052 0.000 2.927 306 I HA 0.067 4.236 4.170 -0.001 0.000 0.268 306 I C 2.000 178.162 176.117 0.076 0.000 1.153 306 I CA 0.240 61.576 61.300 0.060 0.000 1.459 306 I CB 0.110 38.152 38.000 0.071 0.000 1.149 306 I HN 0.157 nan 8.210 nan 0.000 0.443 307 R N 0.959 121.506 120.500 0.079 0.000 2.363 307 R HA 0.211 4.550 4.340 -0.001 0.000 0.236 307 R C 1.198 177.536 176.300 0.064 0.000 0.966 307 R CA 0.380 56.535 56.100 0.091 0.000 1.100 307 R CB 0.298 30.647 30.300 0.081 0.000 1.125 307 R HN 0.286 nan 8.270 nan 0.000 0.514 308 A N 0.200 123.051 122.820 0.052 0.000 1.938 308 A HA 0.037 4.357 4.320 -0.001 0.000 0.207 308 A C 1.704 179.311 177.584 0.039 0.000 1.292 308 A CA 0.169 52.228 52.037 0.038 0.000 0.700 308 A CB 0.081 19.099 19.000 0.030 0.000 0.947 308 A HN 0.111 nan 8.150 nan 0.000 0.476 309 E N 0.705 120.929 120.200 0.040 0.000 2.077 309 E HA -0.121 4.228 4.350 -0.001 0.000 0.193 309 E C 1.982 178.611 176.600 0.049 0.000 0.989 309 E CA 1.026 57.447 56.400 0.037 0.000 0.800 309 E CB -0.453 29.267 29.700 0.032 0.000 0.746 309 E HN 0.622 nan 8.360 nan 0.000 0.452 310 L N 0.681 121.947 121.223 0.071 0.000 2.201 310 L HA -0.091 4.248 4.340 -0.001 0.000 0.212 310 L C 2.545 179.456 176.870 0.069 0.000 1.105 310 L CA 0.679 55.578 54.840 0.099 0.000 0.775 310 L CB -0.615 41.528 42.059 0.141 0.000 0.913 310 L HN 0.029 nan 8.230 nan 0.000 0.440 311 A N 0.427 123.283 122.820 0.059 0.000 1.869 311 A HA -0.245 4.074 4.320 -0.001 0.000 0.218 311 A C 2.251 179.843 177.584 0.013 0.000 1.203 311 A CA 1.886 53.947 52.037 0.041 0.000 0.638 311 A CB -0.356 18.665 19.000 0.035 0.000 0.831 311 A HN 0.212 nan 8.150 nan 0.000 0.450 312 K N -0.905 119.509 120.400 0.023 0.000 2.459 312 K HA 0.210 4.529 4.320 -0.001 0.000 0.193 312 K C 1.802 178.441 176.600 0.065 0.000 1.030 312 K CA 0.446 56.763 56.287 0.049 0.000 1.026 312 K CB -0.197 32.356 32.500 0.088 0.000 0.809 312 K HN 0.617 nan 8.250 nan 0.000 0.504 313 M N 0.286 119.863 119.600 -0.038 0.000 2.200 313 M HA -0.102 4.377 4.480 -0.001 0.000 0.265 313 M C 1.510 177.351 176.300 -0.765 0.000 1.066 313 M CA 1.384 56.577 55.300 -0.179 0.000 1.127 313 M CB -0.249 32.304 32.600 -0.078 0.000 1.379 313 M HN 0.122 nan 8.290 nan 0.000 0.420 314 E N 0.253 120.043 120.200 -0.684 0.000 2.130 314 E HA -0.218 4.131 4.350 -0.001 0.000 0.196 314 E C -0.774 175.498 176.600 -0.546 0.000 0.998 314 E CA 1.224 57.185 56.400 -0.732 0.000 0.806 314 E CB -1.195 28.434 29.700 -0.119 0.000 0.738 314 E HN 0.463 nan 8.360 nan 0.000 0.459 315 P HA -0.136 nan 4.420 nan 0.000 0.218 315 P C 0.427 177.281 177.300 -0.743 0.000 1.149 315 P CA 1.091 63.806 63.100 -0.642 0.000 0.817 315 P CB 0.031 31.199 31.700 -0.887 0.000 0.785 316 F N -3.243 116.599 119.950 -0.179 0.000 2.645 316 F HA 0.246 4.772 4.527 -0.001 0.000 0.300 316 F C 0.600 176.435 175.800 0.059 0.000 1.115 316 F CA -0.645 57.329 58.000 -0.044 0.000 1.355 316 F CB -0.757 38.238 39.000 -0.008 0.000 1.026 316 F HN -0.250 nan 8.300 nan 0.000 0.536 317 F N 2.216 122.193 119.950 0.044 0.000 2.443 317 F HA 0.383 4.910 4.527 -0.001 0.000 0.353 317 F C -1.484 174.215 175.800 -0.168 0.000 1.101 317 F CA -3.596 54.321 58.000 -0.139 0.000 1.226 317 F CB -0.263 38.659 39.000 -0.130 0.000 1.140 317 F HN -0.125 nan 8.300 nan 0.000 0.557 318 P HA 0.167 nan 4.420 nan 0.000 0.275 318 P C -0.896 176.364 177.300 -0.067 0.000 1.266 318 P CA -0.633 62.425 63.100 -0.070 0.000 0.793 318 P CB 0.418 32.044 31.700 -0.125 0.000 1.074 319 S N -0.260 115.416 115.700 -0.039 0.000 2.525 319 S HA 0.381 4.850 4.470 -0.001 0.000 0.285 319 S C 1.141 175.708 174.600 -0.056 0.000 1.283 319 S CA 0.334 58.514 58.200 -0.032 0.000 1.072 319 S CB -0.464 62.727 63.200 -0.015 0.000 0.867 319 S HN 0.984 nan 8.310 nan 0.000 0.492 320 G N 2.289 111.055 108.800 -0.057 0.000 2.218 320 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.216 320 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.216 320 G C -0.124 174.707 174.900 -0.115 0.000 0.994 320 G CA -0.214 44.845 45.100 -0.069 0.000 0.637 320 G HN 0.730 nan 8.290 nan 0.000 0.505 321 L N 1.457 122.574 121.223 -0.176 0.000 2.255 321 L HA 0.547 4.886 4.340 -0.001 0.000 0.289 321 L C 0.229 176.958 176.870 -0.234 0.000 1.046 321 L CA -0.395 54.264 54.840 -0.301 0.000 0.816 321 L CB 1.487 43.188 42.059 -0.598 0.000 1.197 321 L HN 0.160 nan 8.230 nan 0.000 0.427 322 K N 5.287 125.575 120.400 -0.186 0.000 2.502 322 K HA 0.467 4.786 4.320 -0.001 0.000 0.254 322 K C -0.543 175.961 176.600 -0.160 0.000 0.947 322 K CA -0.643 55.580 56.287 -0.107 0.000 0.834 322 K CB 1.585 34.056 32.500 -0.047 0.000 1.112 322 K HN 0.469 nan 8.250 nan 0.000 0.427 323 I N 3.620 124.108 120.570 -0.136 0.000 2.692 323 I HA 0.038 4.207 4.170 -0.001 0.000 0.284 323 I C 0.007 175.909 176.117 -0.359 0.000 1.159 323 I CA -0.069 61.073 61.300 -0.263 0.000 1.423 323 I CB 1.243 39.118 38.000 -0.208 0.000 1.380 323 I HN 0.328 nan 8.210 nan 0.000 0.580 324 V N 7.231 126.803 119.914 -0.570 0.000 3.007 324 V HA 0.396 4.515 4.120 -0.001 0.000 0.311 324 V C -1.455 174.228 176.094 -0.686 0.000 1.120 324 V CA -0.445 61.546 62.300 -0.515 0.000 0.980 324 V CB 2.270 33.713 31.823 -0.634 0.000 1.033 324 V HN 0.492 nan 8.190 nan 0.000 0.429 325 Y N 5.796 126.020 120.300 -0.127 0.000 2.836 325 Y HA 0.464 5.013 4.550 -0.001 0.000 0.359 325 Y C -2.076 173.817 175.900 -0.012 0.000 1.060 325 Y CA -2.369 55.687 58.100 -0.072 0.000 1.161 325 Y CB 0.458 38.911 38.460 -0.011 0.000 1.225 325 Y HN 0.473 nan 8.280 nan 0.000 0.621 326 P HA 0.115 nan 4.420 nan 0.000 0.279 326 P C -0.717 176.660 177.300 0.128 0.000 1.252 326 P CA -0.311 62.893 63.100 0.174 0.000 0.811 326 P CB 1.353 33.217 31.700 0.274 0.000 1.035 327 Y N -0.288 120.003 120.300 -0.014 0.000 2.591 327 Y HA -0.230 4.319 4.550 -0.001 0.000 0.040 327 Y C -0.596 175.310 175.900 0.009 0.000 1.779 327 Y CA 1.387 59.467 58.100 -0.034 0.000 1.355 327 Y CB -0.674 37.682 38.460 -0.173 0.000 2.004 327 Y HN 0.568 nan 8.280 nan 0.000 0.268 328 D N 3.583 124.012 120.400 0.049 0.000 2.614 328 D HA 0.175 4.814 4.640 -0.001 0.000 0.203 328 D C 0.109 176.478 176.300 0.115 0.000 1.312 328 D CA 0.168 54.254 54.000 0.143 0.000 0.889 328 D CB 1.342 42.221 40.800 0.131 0.000 1.615 328 D HN 0.374 nan 8.370 nan 0.000 0.567 329 T N 1.585 116.249 114.554 0.183 0.000 3.113 329 T HA -0.005 4.344 4.350 -0.001 0.000 0.263 329 T C 1.444 176.290 174.700 0.243 0.000 1.143 329 T CA 1.582 63.809 62.100 0.212 0.000 1.090 329 T CB 0.132 69.147 68.868 0.245 0.000 0.922 329 T HN 0.447 nan 8.240 nan 0.000 0.521 330 T N 2.575 117.243 114.554 0.190 0.000 2.612 330 T HA -0.036 4.313 4.350 -0.001 0.000 0.259 330 T C -0.579 174.232 174.700 0.186 0.000 1.065 330 T CA 1.210 63.404 62.100 0.157 0.000 1.167 330 T CB -1.130 67.793 68.868 0.092 0.000 0.863 330 T HN 0.364 nan 8.240 nan 0.000 0.407 331 P HA -0.201 nan 4.420 nan 0.000 0.219 331 P C 1.258 178.739 177.300 0.303 0.000 1.149 331 P CA 1.252 64.499 63.100 0.245 0.000 0.835 331 P CB -0.206 31.693 31.700 0.331 0.000 0.778 332 F N 1.247 121.324 119.950 0.212 0.000 1.997 332 F HA -0.189 4.338 4.527 -0.001 0.000 0.296 332 F C 2.496 178.299 175.800 0.007 0.000 1.160 332 F CA 1.145 59.233 58.000 0.147 0.000 1.176 332 F CB -1.275 37.847 39.000 0.204 0.000 0.964 332 F HN -0.315 nan 8.300 nan 0.000 0.484 333 V N 0.753 120.705 119.914 0.063 0.000 2.311 333 V HA -0.430 3.690 4.120 -0.001 0.000 0.256 333 V C 2.385 178.407 176.094 -0.120 0.000 1.077 333 V CA 2.526 64.777 62.300 -0.082 0.000 1.067 333 V CB -0.801 31.027 31.823 0.008 0.000 0.659 333 V HN 0.358 nan 8.190 nan 0.000 0.451 334 K N -0.715 119.650 120.400 -0.059 0.000 2.025 334 K HA -0.102 4.217 4.320 -0.001 0.000 0.207 334 K C 1.862 178.388 176.600 -0.122 0.000 1.049 334 K CA 1.483 57.726 56.287 -0.072 0.000 0.933 334 K CB -0.255 32.223 32.500 -0.036 0.000 0.714 334 K HN 0.331 nan 8.250 nan 0.000 0.438 335 I N 0.542 121.006 120.570 -0.177 0.000 3.059 335 I HA -0.097 4.073 4.170 -0.001 0.000 0.270 335 I C 2.215 178.106 176.117 -0.378 0.000 1.238 335 I CA 0.909 62.047 61.300 -0.270 0.000 1.478 335 I CB -0.109 37.629 38.000 -0.436 0.000 1.097 335 I HN 0.028 nan 8.210 nan 0.000 0.455 336 S N 0.145 115.550 115.700 -0.491 0.000 2.371 336 S HA 0.005 4.474 4.470 -0.001 0.000 0.224 336 S C 1.997 176.387 174.600 -0.350 0.000 1.029 336 S CA 0.915 58.773 58.200 -0.570 0.000 0.978 336 S CB -0.082 62.660 63.200 -0.764 0.000 0.833 336 S HN 0.267 nan 8.310 nan 0.000 0.466 337 I N 0.470 120.891 120.570 -0.248 0.000 2.070 337 I HA -0.172 3.997 4.170 -0.001 0.000 0.224 337 I C 2.231 178.278 176.117 -0.118 0.000 1.049 337 I CA 1.758 62.959 61.300 -0.165 0.000 1.334 337 I CB -0.884 37.056 38.000 -0.100 0.000 1.095 337 I HN 0.384 nan 8.210 nan 0.000 0.391 338 H N 1.701 120.670 119.070 -0.167 0.000 2.121 338 H HA -0.298 4.258 4.556 -0.001 0.000 0.237 338 H C 1.261 176.500 175.328 -0.148 0.000 1.154 338 H CA 2.264 58.229 56.048 -0.139 0.000 1.387 338 H CB -0.400 29.281 29.762 -0.135 0.000 1.669 338 H HN 0.326 nan 8.280 nan 0.000 0.672 339 E N -0.206 119.898 120.200 -0.161 0.000 2.506 339 E HA 0.025 4.374 4.350 -0.001 0.000 0.210 339 E C 0.519 176.985 176.600 -0.224 0.000 1.325 339 E CA 0.489 56.753 56.400 -0.227 0.000 1.273 339 E CB 0.127 29.711 29.700 -0.193 0.000 1.276 339 E HN 0.341 nan 8.360 nan 0.000 0.442 340 V N -1.353 118.426 119.914 -0.226 0.000 3.474 340 V HA -0.130 3.990 4.120 -0.001 0.000 0.195 340 V C 1.711 177.707 176.094 -0.164 0.000 1.431 340 V CA 0.080 62.244 62.300 -0.227 0.000 1.268 340 V CB 0.503 32.143 31.823 -0.306 0.000 1.195 340 V HN 0.090 nan 8.190 nan 0.000 0.542 341 V N 0.934 120.761 119.914 -0.146 0.000 2.568 341 V HA -0.244 3.875 4.120 -0.001 0.000 0.253 341 V C 2.403 178.425 176.094 -0.120 0.000 1.072 341 V CA 2.563 64.804 62.300 -0.098 0.000 1.084 341 V CB -0.480 31.299 31.823 -0.074 0.000 0.676 341 V HN 0.462 nan 8.190 nan 0.000 0.469 342 K N 0.129 120.414 120.400 -0.193 0.000 2.007 342 K HA -0.118 4.201 4.320 -0.001 0.000 0.206 342 K C 2.216 178.746 176.600 -0.117 0.000 1.047 342 K CA 1.945 58.118 56.287 -0.190 0.000 0.937 342 K CB -0.874 31.454 32.500 -0.287 0.000 0.718 342 K HN 0.383 nan 8.250 nan 0.000 0.438 343 T N 1.302 115.786 114.554 -0.116 0.000 2.721 343 T HA -0.179 4.170 4.350 -0.001 0.000 0.268 343 T C 1.667 176.345 174.700 -0.037 0.000 1.038 343 T CA 1.605 63.664 62.100 -0.068 0.000 1.145 343 T CB -0.242 68.585 68.868 -0.069 0.000 0.858 343 T HN 0.207 nan 8.240 nan 0.000 0.459 344 L N 0.373 121.570 121.223 -0.043 0.000 2.072 344 L HA -0.018 4.321 4.340 -0.001 0.000 0.205 344 L C 2.455 179.323 176.870 -0.003 0.000 1.079 344 L CA 0.968 55.801 54.840 -0.011 0.000 0.752 344 L CB -0.269 41.786 42.059 -0.007 0.000 0.906 344 L HN 0.056 nan 8.230 nan 0.000 0.436 345 V N 0.359 120.260 119.914 -0.021 0.000 2.255 345 V HA -0.323 3.797 4.120 -0.001 0.000 0.247 345 V C 2.408 178.500 176.094 -0.003 0.000 1.051 345 V CA 2.319 64.610 62.300 -0.015 0.000 1.018 345 V CB -0.505 31.297 31.823 -0.035 0.000 0.641 345 V HN 0.528 nan 8.190 nan 0.000 0.445 346 E N 0.403 120.595 120.200 -0.013 0.000 2.097 346 E HA -0.249 4.100 4.350 -0.001 0.000 0.196 346 E C 2.161 178.778 176.600 0.028 0.000 1.000 346 E CA 1.416 57.817 56.400 0.001 0.000 0.804 346 E CB -0.418 29.275 29.700 -0.012 0.000 0.740 346 E HN 0.607 nan 8.360 nan 0.000 0.454 347 A N 0.573 123.412 122.820 0.032 0.000 2.178 347 A HA -0.121 4.199 4.320 -0.001 0.000 0.218 347 A C 1.996 179.625 177.584 0.075 0.000 1.157 347 A CA 0.861 52.933 52.037 0.058 0.000 0.689 347 A CB -0.409 18.632 19.000 0.068 0.000 0.787 347 A HN 0.156 nan 8.150 nan 0.000 0.465 348 I N -0.198 120.410 120.570 0.064 0.000 2.364 348 I HA -0.099 4.070 4.170 -0.001 0.000 0.241 348 I C 1.977 178.167 176.117 0.122 0.000 1.082 348 I CA 0.411 61.760 61.300 0.081 0.000 1.401 348 I CB -0.170 37.861 38.000 0.051 0.000 1.126 348 I HN 0.196 nan 8.210 nan 0.000 0.429 349 I N 0.662 121.285 120.570 0.089 0.000 2.248 349 I HA -0.292 3.877 4.170 -0.001 0.000 0.248 349 I C 2.547 178.775 176.117 0.186 0.000 1.107 349 I CA 1.492 62.862 61.300 0.117 0.000 1.373 349 I CB -1.606 36.425 38.000 0.051 0.000 1.055 349 I HN 0.241 nan 8.210 nan 0.000 0.418 350 L N 0.672 121.971 121.223 0.126 0.000 2.012 350 L HA -0.161 4.178 4.340 -0.001 0.000 0.210 350 L C 2.748 179.703 176.870 0.142 0.000 1.073 350 L CA 1.543 56.453 54.840 0.117 0.000 0.748 350 L CB -1.063 41.046 42.059 0.083 0.000 0.891 350 L HN 0.095 nan 8.230 nan 0.000 0.431 351 V N -0.864 119.141 119.914 0.151 0.000 2.427 351 V HA -0.294 3.825 4.120 -0.001 0.000 0.248 351 V C 2.320 178.515 176.094 0.167 0.000 1.051 351 V CA 1.373 63.758 62.300 0.141 0.000 1.048 351 V CB -0.648 31.249 31.823 0.123 0.000 0.666 351 V HN 0.352 nan 8.190 nan 0.000 0.456 352 F N 0.302 120.302 119.950 0.083 0.000 2.161 352 F HA -0.201 4.325 4.527 -0.001 0.000 0.300 352 F C 1.939 177.833 175.800 0.157 0.000 1.089 352 F CA 1.636 59.704 58.000 0.112 0.000 1.282 352 F CB -0.135 38.928 39.000 0.105 0.000 1.010 352 F HN 0.033 nan 8.300 nan 0.000 0.485 353 L N -0.689 120.630 121.223 0.160 0.000 1.961 353 L HA -0.195 4.145 4.340 -0.001 0.000 0.209 353 L C 2.480 179.379 176.870 0.049 0.000 1.075 353 L CA 1.356 56.238 54.840 0.070 0.000 0.749 353 L CB -1.340 40.790 42.059 0.117 0.000 0.890 353 L HN -0.052 nan 8.230 nan 0.000 0.433 354 V N -0.147 119.822 119.914 0.091 0.000 2.313 354 V HA -0.387 3.732 4.120 -0.001 0.000 0.253 354 V C 2.585 178.792 176.094 0.187 0.000 1.070 354 V CA 2.129 64.520 62.300 0.153 0.000 1.057 354 V CB -0.523 31.390 31.823 0.151 0.000 0.653 354 V HN 0.376 nan 8.190 nan 0.000 0.450 355 M N -1.348 118.294 119.600 0.070 0.000 2.073 355 M HA -0.207 4.272 4.480 -0.001 0.000 0.258 355 M C 1.982 178.294 176.300 0.022 0.000 1.070 355 M CA 2.075 57.384 55.300 0.014 0.000 1.103 355 M CB -0.797 31.762 32.600 -0.068 0.000 1.321 355 M HN 0.427 nan 8.290 nan 0.000 0.405 356 Y N -0.207 119.976 120.300 -0.195 0.000 2.089 356 Y HA -0.234 4.315 4.550 -0.001 0.000 0.282 356 Y C 2.094 177.936 175.900 -0.097 0.000 1.139 356 Y CA 1.832 59.841 58.100 -0.151 0.000 1.123 356 Y CB -0.444 37.883 38.460 -0.221 0.000 0.980 356 Y HN 0.188 nan 8.280 nan 0.000 0.493 357 L N -0.507 120.724 121.223 0.013 0.000 2.563 357 L HA -0.273 4.066 4.340 -0.001 0.000 0.230 357 L C 0.834 177.348 176.870 -0.593 0.000 1.162 357 L CA 1.921 56.509 54.840 -0.419 0.000 0.812 357 L CB -1.021 40.743 42.059 -0.492 0.000 0.935 357 L HN 0.352 nan 8.230 nan 0.000 0.451 358 F N -0.614 119.224 119.950 -0.185 0.000 2.592 358 F HA 0.163 4.689 4.527 -0.001 0.000 0.280 358 F C 1.227 176.958 175.800 -0.115 0.000 1.083 358 F CA 0.005 57.930 58.000 -0.126 0.000 1.365 358 F CB 0.323 39.236 39.000 -0.146 0.000 1.100 358 F HN -0.044 nan 8.300 nan 0.000 0.633 359 L N 0.483 121.733 121.223 0.044 0.000 2.732 359 L HA 0.390 4.729 4.340 -0.001 0.000 0.246 359 L C -0.414 176.374 176.870 -0.137 0.000 1.407 359 L CA -0.865 53.959 54.840 -0.027 0.000 0.861 359 L CB -0.067 41.973 42.059 -0.033 0.000 1.161 359 L HN 0.079 nan 8.230 nan 0.000 0.510 360 Q N 0.552 120.301 119.800 -0.085 0.000 3.892 360 Q HA -0.200 4.139 4.340 -0.001 0.000 0.387 360 Q C -0.418 175.375 176.000 -0.345 0.000 1.062 360 Q CA 1.186 56.862 55.803 -0.211 0.000 1.333 360 Q CB -0.726 28.041 28.738 0.048 0.000 0.993 360 Q HN 0.849 nan 8.270 nan 0.000 0.454 361 N N 2.847 121.203 118.700 -0.573 0.000 4.036 361 N HA -0.027 4.712 4.740 -0.001 0.000 0.178 361 N C -0.869 174.593 175.510 -0.079 0.000 1.378 361 N CA -0.415 52.500 53.050 -0.225 0.000 0.851 361 N CB 0.059 38.468 38.487 -0.130 0.000 1.714 361 N HN 0.485 nan 8.380 nan 0.000 0.771 362 F N 2.877 122.844 119.950 0.029 0.000 2.481 362 F HA -0.001 4.525 4.527 -0.001 0.000 0.297 362 F C 1.785 177.695 175.800 0.184 0.000 1.095 362 F CA 1.319 59.494 58.000 0.291 0.000 1.465 362 F CB 0.186 39.412 39.000 0.376 0.000 1.098 362 F HN 0.490 nan 8.300 nan 0.000 0.585 363 R N -0.987 119.547 120.500 0.056 0.000 2.189 363 R HA 0.179 4.518 4.340 -0.001 0.000 0.203 363 R C 2.259 178.525 176.300 -0.057 0.000 1.012 363 R CA 0.816 56.904 56.100 -0.021 0.000 1.015 363 R CB -0.358 29.966 30.300 0.040 0.000 0.938 363 R HN 0.313 nan 8.270 nan 0.000 0.472 364 A N 0.319 123.104 122.820 -0.059 0.000 1.862 364 A HA -0.062 4.257 4.320 -0.001 0.000 0.211 364 A C 2.057 179.598 177.584 -0.071 0.000 1.220 364 A CA 1.200 53.200 52.037 -0.062 0.000 0.616 364 A CB -0.883 18.077 19.000 -0.066 0.000 0.878 364 A HN 0.165 nan 8.150 nan 0.000 0.453 365 T N -0.317 114.181 114.554 -0.093 0.000 2.882 365 T HA -0.165 4.184 4.350 -0.001 0.000 0.268 365 T C 1.541 176.236 174.700 -0.008 0.000 1.104 365 T CA 1.666 63.708 62.100 -0.098 0.000 1.118 365 T CB -0.502 68.254 68.868 -0.188 0.000 0.831 365 T HN 0.247 nan 8.240 nan 0.000 0.529 366 L N -0.045 121.145 121.223 -0.056 0.000 2.341 366 L HA 0.301 4.640 4.340 -0.001 0.000 0.214 366 L C 1.910 178.769 176.870 -0.018 0.000 1.115 366 L CA 0.966 55.773 54.840 -0.055 0.000 0.820 366 L CB -0.231 41.704 42.059 -0.207 0.000 0.944 366 L HN 0.339 nan 8.230 nan 0.000 0.452 367 I N 0.303 120.854 120.570 -0.032 0.000 2.090 367 I HA -0.194 3.975 4.170 -0.001 0.000 0.236 367 I C -0.368 175.728 176.117 -0.035 0.000 1.064 367 I CA 1.226 62.500 61.300 -0.044 0.000 1.324 367 I CB -1.590 36.374 38.000 -0.060 0.000 1.044 367 I HN 0.165 nan 8.210 nan 0.000 0.399 368 P HA -0.111 nan 4.420 nan 0.000 0.223 368 P C 1.375 178.687 177.300 0.021 0.000 1.144 368 P CA 1.328 64.419 63.100 -0.013 0.000 0.783 368 P CB -0.122 31.573 31.700 -0.009 0.000 0.771 369 T N -1.064 113.524 114.554 0.056 0.000 2.951 369 T HA 0.012 4.361 4.350 -0.001 0.000 0.268 369 T C 1.487 176.208 174.700 0.035 0.000 1.073 369 T CA 0.919 63.071 62.100 0.087 0.000 1.134 369 T CB -0.525 68.436 68.868 0.154 0.000 0.884 369 T HN 0.173 nan 8.240 nan 0.000 0.479 370 I N 0.475 121.050 120.570 0.008 0.000 3.427 370 I HA 0.206 4.376 4.170 -0.001 0.000 0.288 370 I C 2.613 178.705 176.117 -0.041 0.000 1.249 370 I CA 0.203 61.501 61.300 -0.002 0.000 1.421 370 I CB -0.249 37.750 38.000 -0.003 0.000 1.086 370 I HN 0.110 nan 8.210 nan 0.000 0.448 371 A N 1.300 124.086 122.820 -0.057 0.000 1.935 371 A HA -0.029 4.290 4.320 -0.001 0.000 0.214 371 A C 2.381 179.928 177.584 -0.062 0.000 1.178 371 A CA 1.300 53.288 52.037 -0.081 0.000 0.640 371 A CB -0.643 18.301 19.000 -0.093 0.000 0.825 371 A HN 0.224 nan 8.150 nan 0.000 0.447 372 V N -0.922 118.971 119.914 -0.036 0.000 2.244 372 V HA -0.122 3.997 4.120 -0.001 0.000 0.244 372 V C 0.119 176.198 176.094 -0.025 0.000 1.042 372 V CA 1.554 63.834 62.300 -0.032 0.000 1.006 372 V CB -2.545 29.273 31.823 -0.009 0.000 0.641 372 V HN 0.389 nan 8.190 nan 0.000 0.446 373 P HA -0.190 nan 4.420 nan 0.000 0.213 373 P C 1.942 179.245 177.300 0.006 0.000 1.176 373 P CA 2.293 65.401 63.100 0.014 0.000 0.919 373 P CB -0.367 31.347 31.700 0.024 0.000 0.791 374 V N 0.478 120.387 119.914 -0.008 0.000 2.243 374 V HA -0.311 3.808 4.120 -0.001 0.000 0.258 374 V C 2.885 178.957 176.094 -0.037 0.000 1.073 374 V CA 2.944 65.230 62.300 -0.022 0.000 1.069 374 V CB -1.656 30.133 31.823 -0.058 0.000 0.681 374 V HN -0.051 nan 8.190 nan 0.000 0.457 375 V N -0.430 119.446 119.914 -0.064 0.000 2.287 375 V HA -0.284 3.835 4.120 -0.001 0.000 0.248 375 V C 2.245 178.278 176.094 -0.101 0.000 1.053 375 V CA 2.310 64.556 62.300 -0.090 0.000 1.027 375 V CB -0.738 31.021 31.823 -0.107 0.000 0.646 375 V HN 0.465 nan 8.190 nan 0.000 0.447 376 L N -0.724 120.445 121.223 -0.090 0.000 1.971 376 L HA -0.221 4.118 4.340 -0.001 0.000 0.215 376 L C 2.502 179.317 176.870 -0.092 0.000 1.072 376 L CA 1.713 56.463 54.840 -0.149 0.000 0.758 376 L CB -0.816 41.205 42.059 -0.063 0.000 0.889 376 L HN 0.253 nan 8.230 nan 0.000 0.433 377 L N 0.004 121.296 121.223 0.115 0.000 1.987 377 L HA -0.280 4.059 4.340 -0.001 0.000 0.230 377 L C 2.598 179.570 176.870 0.170 0.000 1.089 377 L CA 1.876 56.868 54.840 0.253 0.000 0.802 377 L CB -1.477 40.655 42.059 0.122 0.000 0.905 377 L HN 0.428 nan 8.230 nan 0.000 0.441 378 G N -1.585 107.236 108.800 0.034 0.000 2.549 378 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.222 378 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.222 378 G C 1.400 176.264 174.900 -0.060 0.000 1.100 378 G CA 1.446 46.537 45.100 -0.015 0.000 0.739 378 G HN 0.473 nan 8.290 nan 0.000 0.577 379 T N 0.567 115.044 114.554 -0.129 0.000 2.894 379 T HA 0.027 4.376 4.350 -0.001 0.000 0.258 379 T C 1.983 176.563 174.700 -0.200 0.000 1.043 379 T CA 0.631 62.587 62.100 -0.240 0.000 1.141 379 T CB -0.330 68.305 68.868 -0.387 0.000 0.873 379 T HN 0.282 nan 8.240 nan 0.000 0.449 380 F N 2.204 122.124 119.950 -0.051 0.000 2.250 380 F HA 0.052 4.579 4.527 -0.001 0.000 0.301 380 F C 2.612 178.388 175.800 -0.039 0.000 1.077 380 F CA 0.532 58.512 58.000 -0.033 0.000 1.348 380 F CB -0.789 38.196 39.000 -0.025 0.000 1.040 380 F HN 0.159 nan 8.300 nan 0.000 0.509 381 A N 0.643 123.541 122.820 0.131 0.000 1.821 381 A HA -0.147 4.172 4.320 -0.001 0.000 0.215 381 A C 2.329 179.897 177.584 -0.026 0.000 1.216 381 A CA 1.980 54.045 52.037 0.048 0.000 0.615 381 A CB -1.314 17.701 19.000 0.025 0.000 0.862 381 A HN 0.085 nan 8.150 nan 0.000 0.450 382 V N 0.367 120.222 119.914 -0.098 0.000 2.428 382 V HA -0.327 3.792 4.120 -0.001 0.000 0.255 382 V C 2.413 178.310 176.094 -0.328 0.000 1.080 382 V CA 2.041 64.203 62.300 -0.230 0.000 1.083 382 V CB -1.127 30.523 31.823 -0.289 0.000 0.665 382 V HN 0.518 nan 8.190 nan 0.000 0.461 383 L N -0.175 120.954 121.223 -0.156 0.000 1.899 383 L HA -0.201 4.138 4.340 -0.001 0.000 0.223 383 L C 2.765 179.640 176.870 0.009 0.000 1.088 383 L CA 1.827 56.652 54.840 -0.025 0.000 0.788 383 L CB -0.957 41.152 42.059 0.083 0.000 0.889 383 L HN 0.324 nan 8.230 nan 0.000 0.431 384 A N -0.140 122.717 122.820 0.062 0.000 1.984 384 A HA -0.407 3.912 4.320 -0.001 0.000 0.224 384 A C 2.293 179.901 177.584 0.039 0.000 1.256 384 A CA 2.576 54.646 52.037 0.054 0.000 0.679 384 A CB -1.252 17.782 19.000 0.056 0.000 0.829 384 A HN 0.674 nan 8.150 nan 0.000 0.483 385 A N -2.142 120.704 122.820 0.044 0.000 2.084 385 A HA -0.007 4.312 4.320 -0.001 0.000 0.221 385 A C 1.680 179.490 177.584 0.376 0.000 1.161 385 A CA 1.377 53.502 52.037 0.147 0.000 0.653 385 A CB -0.615 18.460 19.000 0.124 0.000 0.802 385 A HN 0.676 nan 8.150 nan 0.000 0.457 386 F N -2.109 117.722 119.950 -0.197 0.000 2.654 386 F HA 0.356 4.882 4.527 -0.001 0.000 0.303 386 F C 1.805 177.197 175.800 -0.679 0.000 1.099 386 F CA 0.046 57.791 58.000 -0.425 0.000 1.270 386 F CB 0.746 39.434 39.000 -0.520 0.000 1.024 386 F HN 0.415 nan 8.300 nan 0.000 0.548 387 G N 1.157 109.835 108.800 -0.204 0.000 2.579 387 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.222 387 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.222 387 G C 0.336 175.191 174.900 -0.076 0.000 1.201 387 G CA -0.366 44.622 45.100 -0.187 0.000 0.710 387 G HN 0.214 nan 8.290 nan 0.000 0.516 388 F N 2.463 122.475 119.950 0.103 0.000 2.594 388 F HA 0.330 4.856 4.527 -0.001 0.000 0.384 388 F C 1.252 177.098 175.800 0.076 0.000 1.060 388 F CA 0.797 58.848 58.000 0.085 0.000 1.278 388 F CB 0.429 39.477 39.000 0.080 0.000 0.977 388 F HN 0.320 nan 8.300 nan 0.000 0.576 389 S N 3.529 119.392 115.700 0.272 0.000 2.664 389 S HA 0.518 4.987 4.470 -0.001 0.000 0.304 389 S C -0.345 174.353 174.600 0.163 0.000 1.099 389 S CA -0.969 57.337 58.200 0.176 0.000 1.003 389 S CB 0.873 64.149 63.200 0.127 0.000 1.092 389 S HN 0.470 nan 8.310 nan 0.000 0.525 390 I N 4.128 124.781 120.570 0.139 0.000 2.680 390 I HA 0.038 4.207 4.170 -0.001 0.000 0.286 390 I C 0.429 176.592 176.117 0.076 0.000 1.144 390 I CA 0.247 61.627 61.300 0.134 0.000 1.370 390 I CB -0.443 37.616 38.000 0.098 0.000 1.420 390 I HN 0.515 nan 8.210 nan 0.000 0.540 391 N N 3.442 122.185 118.700 0.072 0.000 2.402 391 N HA 0.219 4.958 4.740 -0.001 0.000 0.294 391 N C 0.823 176.321 175.510 -0.020 0.000 1.203 391 N CA -0.352 52.716 53.050 0.031 0.000 0.838 391 N CB 1.955 40.492 38.487 0.084 0.000 1.306 391 N HN 0.495 nan 8.380 nan 0.000 0.510 392 T N -1.203 113.284 114.554 -0.111 0.000 3.320 392 T HA 0.032 4.381 4.350 -0.001 0.000 0.258 392 T C 1.283 176.030 174.700 0.078 0.000 1.176 392 T CA 0.654 62.660 62.100 -0.157 0.000 1.037 392 T CB -0.255 68.401 68.868 -0.354 0.000 0.958 392 T HN 0.463 nan 8.240 nan 0.000 0.545 393 L N -0.605 120.723 121.223 0.174 0.000 3.017 393 L HA 0.208 4.547 4.340 -0.001 0.000 0.265 393 L C 1.932 178.972 176.870 0.285 0.000 1.128 393 L CA 0.329 55.394 54.840 0.375 0.000 0.984 393 L CB 0.273 42.553 42.059 0.369 0.000 1.464 393 L HN 0.258 nan 8.230 nan 0.000 0.556 394 T N -1.183 113.463 114.554 0.153 0.000 3.035 394 T HA -0.001 4.348 4.350 -0.001 0.000 0.259 394 T C 1.778 176.523 174.700 0.076 0.000 1.078 394 T CA 0.298 62.462 62.100 0.105 0.000 1.132 394 T CB -0.019 68.892 68.868 0.072 0.000 0.900 394 T HN 0.038 nan 8.240 nan 0.000 0.480 395 M N 0.634 120.245 119.600 0.017 0.000 2.296 395 M HA 0.179 4.658 4.480 -0.001 0.000 0.265 395 M C 1.607 177.848 176.300 -0.098 0.000 1.064 395 M CA 0.752 56.006 55.300 -0.077 0.000 1.109 395 M CB -1.309 31.186 32.600 -0.175 0.000 1.396 395 M HN 0.261 nan 8.290 nan 0.000 0.430 396 F N 0.305 120.297 119.950 0.069 0.000 2.022 396 F HA -0.088 4.439 4.527 -0.001 0.000 0.293 396 F C 2.580 178.436 175.800 0.093 0.000 1.142 396 F CA 1.479 59.530 58.000 0.086 0.000 1.177 396 F CB -1.283 37.806 39.000 0.149 0.000 0.982 396 F HN 0.231 nan 8.300 nan 0.000 0.473 397 G N 0.048 109.064 108.800 0.360 0.000 2.605 397 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.222 397 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.222 397 G C 1.553 176.526 174.900 0.123 0.000 1.092 397 G CA 1.007 46.279 45.100 0.287 0.000 0.730 397 G HN 0.134 nan 8.290 nan 0.000 0.588 398 M N 0.502 120.134 119.600 0.054 0.000 2.066 398 M HA -0.083 4.396 4.480 -0.001 0.000 0.259 398 M C 3.015 179.312 176.300 -0.005 0.000 1.074 398 M CA 1.739 57.008 55.300 -0.051 0.000 1.114 398 M CB -1.321 31.219 32.600 -0.100 0.000 1.306 398 M HN 0.275 nan 8.290 nan 0.000 0.411 399 V N -1.385 118.561 119.914 0.053 0.000 2.379 399 V HA -0.158 3.961 4.120 -0.001 0.000 0.245 399 V C 2.336 178.532 176.094 0.170 0.000 1.044 399 V CA 1.206 63.562 62.300 0.095 0.000 1.036 399 V CB -1.571 30.314 31.823 0.104 0.000 0.664 399 V HN 0.391 nan 8.190 nan 0.000 0.453 400 L N 1.573 122.927 121.223 0.218 0.000 2.349 400 L HA 0.056 4.395 4.340 -0.001 0.000 0.220 400 L C 2.200 179.192 176.870 0.202 0.000 1.130 400 L CA 1.993 57.004 54.840 0.285 0.000 0.791 400 L CB -1.052 41.182 42.059 0.291 0.000 0.918 400 L HN 0.389 nan 8.230 nan 0.000 0.444 401 A N -1.434 121.433 122.820 0.077 0.000 2.252 401 A HA 0.212 4.531 4.320 -0.001 0.000 0.213 401 A C 2.037 179.545 177.584 -0.127 0.000 1.188 401 A CA 0.200 52.198 52.037 -0.065 0.000 0.863 401 A CB -0.439 18.476 19.000 -0.141 0.000 0.893 401 A HN 0.394 nan 8.150 nan 0.000 0.495 402 I N 0.232 120.770 120.570 -0.053 0.000 2.657 402 I HA -0.216 3.953 4.170 -0.001 0.000 0.261 402 I C 2.370 178.399 176.117 -0.146 0.000 1.212 402 I CA 1.109 62.375 61.300 -0.056 0.000 1.453 402 I CB -0.244 37.777 38.000 0.035 0.000 1.092 402 I HN 0.412 nan 8.210 nan 0.000 0.452 403 G N 0.642 109.208 108.800 -0.391 0.000 2.430 403 G HA2 -0.082 3.878 3.960 -0.001 0.000 0.216 403 G HA3 -0.082 3.878 3.960 -0.001 0.000 0.216 403 G C 1.543 176.094 174.900 -0.582 0.000 1.146 403 G CA 0.062 44.581 45.100 -0.968 0.000 0.793 403 G HN 0.294 nan 8.290 nan 0.000 0.537 404 L N 0.075 121.061 121.223 -0.396 0.000 2.599 404 L HA 0.313 4.652 4.340 -0.001 0.000 0.230 404 L C 2.191 178.949 176.870 -0.187 0.000 1.141 404 L CA -0.057 54.636 54.840 -0.244 0.000 0.877 404 L CB 0.096 42.037 42.059 -0.196 0.000 1.009 404 L HN 0.189 nan 8.230 nan 0.000 0.447 405 L N -1.863 119.251 121.223 -0.181 0.000 2.296 405 L HA 0.006 4.346 4.340 -0.001 0.000 0.193 405 L C 2.479 179.283 176.870 -0.110 0.000 1.123 405 L CA 0.588 55.347 54.840 -0.134 0.000 0.805 405 L CB -0.734 41.255 42.059 -0.117 0.000 1.004 405 L HN 0.057 nan 8.230 nan 0.000 0.478 406 V N -1.173 118.684 119.914 -0.095 0.000 2.277 406 V HA -0.395 3.724 4.120 -0.001 0.000 0.253 406 V C 1.966 178.016 176.094 -0.073 0.000 1.067 406 V CA 2.446 64.709 62.300 -0.062 0.000 1.047 406 V CB -1.013 30.794 31.823 -0.027 0.000 0.649 406 V HN 0.552 nan 8.190 nan 0.000 0.447 407 D N 1.151 121.492 120.400 -0.098 0.000 2.380 407 D HA -0.298 4.341 4.640 -0.001 0.000 0.198 407 D C 1.830 178.086 176.300 -0.074 0.000 1.027 407 D CA 2.416 56.362 54.000 -0.089 0.000 0.880 407 D CB -0.580 40.154 40.800 -0.111 0.000 1.064 407 D HN 0.608 nan 8.370 nan 0.000 0.465 408 D N -0.187 120.165 120.400 -0.079 0.000 2.292 408 D HA -0.232 4.408 4.640 -0.001 0.000 0.205 408 D C 1.761 178.023 176.300 -0.064 0.000 0.994 408 D CA 1.210 55.169 54.000 -0.068 0.000 0.897 408 D CB -0.295 40.460 40.800 -0.075 0.000 0.907 408 D HN 0.373 nan 8.370 nan 0.000 0.467 409 A N 1.382 124.161 122.820 -0.068 0.000 1.821 409 A HA -0.127 4.192 4.320 -0.001 0.000 0.215 409 A C 2.385 179.936 177.584 -0.056 0.000 1.214 409 A CA 0.866 52.863 52.037 -0.066 0.000 0.608 409 A CB -0.874 18.089 19.000 -0.062 0.000 0.862 409 A HN 0.146 nan 8.150 nan 0.000 0.448 410 I N 0.250 120.787 120.570 -0.055 0.000 2.143 410 I HA -0.329 3.840 4.170 -0.001 0.000 0.245 410 I C 2.336 178.429 176.117 -0.040 0.000 1.068 410 I CA 1.748 63.014 61.300 -0.056 0.000 1.326 410 I CB -0.966 36.989 38.000 -0.074 0.000 1.028 410 I HN 0.194 nan 8.210 nan 0.000 0.412 411 V N 0.793 120.689 119.914 -0.031 0.000 2.231 411 V HA -0.285 3.835 4.120 -0.001 0.000 0.250 411 V C 2.260 178.363 176.094 0.016 0.000 1.058 411 V CA 2.128 64.428 62.300 0.001 0.000 1.022 411 V CB -0.790 31.025 31.823 -0.013 0.000 0.640 411 V HN 0.328 nan 8.190 nan 0.000 0.445 412 V N -0.461 119.447 119.914 -0.009 0.000 3.444 412 V HA -0.056 4.063 4.120 -0.001 0.000 0.271 412 V C 1.765 177.844 176.094 -0.026 0.000 1.188 412 V CA 0.940 63.232 62.300 -0.014 0.000 1.168 412 V CB 0.013 31.814 31.823 -0.037 0.000 0.810 412 V HN 0.402 nan 8.190 nan 0.000 0.500 413 V N 0.506 120.404 119.914 -0.028 0.000 2.735 413 V HA 0.007 4.126 4.120 -0.001 0.000 0.234 413 V C 2.380 178.458 176.094 -0.027 0.000 1.121 413 V CA 1.131 63.410 62.300 -0.035 0.000 1.160 413 V CB -0.274 31.521 31.823 -0.045 0.000 0.908 413 V HN 0.677 nan 8.190 nan 0.000 0.495 414 E N 1.926 122.111 120.200 -0.025 0.000 2.153 414 E HA -0.262 4.087 4.350 -0.001 0.000 0.194 414 E C 1.669 178.264 176.600 -0.008 0.000 0.988 414 E CA 2.115 58.503 56.400 -0.020 0.000 0.811 414 E CB -0.837 28.844 29.700 -0.031 0.000 0.746 414 E HN 0.597 nan 8.360 nan 0.000 0.466 415 N N -0.274 118.431 118.700 0.008 0.000 2.519 415 N HA -0.091 4.649 4.740 -0.001 0.000 0.186 415 N C 1.001 176.502 175.510 -0.015 0.000 1.062 415 N CA 1.190 54.245 53.050 0.009 0.000 0.910 415 N CB 0.236 38.769 38.487 0.078 0.000 0.958 415 N HN 0.202 nan 8.380 nan 0.000 0.445 416 V N -0.694 119.212 119.914 -0.013 0.000 2.521 416 V HA 0.045 4.164 4.120 -0.001 0.000 0.239 416 V C 2.052 178.134 176.094 -0.021 0.000 1.053 416 V CA 0.889 63.177 62.300 -0.019 0.000 1.073 416 V CB -0.745 31.064 31.823 -0.022 0.000 0.746 416 V HN 0.190 nan 8.190 nan 0.000 0.476 417 E N 1.805 121.993 120.200 -0.020 0.000 2.208 417 E HA -0.296 4.053 4.350 -0.001 0.000 0.202 417 E C 2.111 178.702 176.600 -0.015 0.000 1.014 417 E CA 2.365 58.754 56.400 -0.018 0.000 0.819 417 E CB -0.248 29.441 29.700 -0.019 0.000 0.735 417 E HN 0.731 nan 8.360 nan 0.000 0.469 418 R N -0.725 119.764 120.500 -0.018 0.000 2.052 418 R HA 0.011 4.350 4.340 -0.001 0.000 0.226 418 R C 2.274 178.556 176.300 -0.030 0.000 1.145 418 R CA 1.343 57.430 56.100 -0.022 0.000 0.952 418 R CB -1.119 29.160 30.300 -0.035 0.000 0.847 418 R HN 0.033 nan 8.270 nan 0.000 0.431 419 V N 1.667 121.558 119.914 -0.037 0.000 2.495 419 V HA -0.243 3.877 4.120 -0.001 0.000 0.260 419 V C 1.414 177.493 176.094 -0.025 0.000 1.097 419 V CA 1.793 64.072 62.300 -0.036 0.000 1.105 419 V CB -0.702 31.102 31.823 -0.031 0.000 0.678 419 V HN 0.402 nan 8.190 nan 0.000 0.469 420 M N -0.433 119.156 119.600 -0.019 0.000 2.923 420 M HA 0.480 4.959 4.480 -0.001 0.000 0.311 420 M C 0.452 176.744 176.300 -0.013 0.000 1.376 420 M CA 0.756 56.048 55.300 -0.014 0.000 1.468 420 M CB 0.569 33.162 32.600 -0.012 0.000 1.151 420 M HN 0.282 nan 8.290 nan 0.000 0.517 421 A N 1.021 123.831 122.820 -0.016 0.000 3.370 421 A HA -0.030 4.290 4.320 -0.001 0.000 0.198 421 A C 1.080 178.652 177.584 -0.020 0.000 1.513 421 A CA -0.338 51.690 52.037 -0.015 0.000 1.265 421 A CB -0.229 18.763 19.000 -0.013 0.000 0.913 421 A HN 0.608 nan 8.150 nan 0.000 0.394 422 E N 0.948 121.133 120.200 -0.026 0.000 2.502 422 E HA 0.123 4.472 4.350 -0.001 0.000 0.194 422 E C -0.492 176.092 176.600 -0.026 0.000 1.062 422 E CA 0.950 57.331 56.400 -0.031 0.000 0.867 422 E CB -0.120 29.554 29.700 -0.043 0.000 0.888 422 E HN 0.799 nan 8.360 nan 0.000 0.510 423 E N -0.393 119.795 120.200 -0.021 0.000 2.312 423 E HA 0.119 4.468 4.350 -0.001 0.000 0.245 423 E C -0.015 176.578 176.600 -0.011 0.000 1.121 423 E CA -0.417 55.974 56.400 -0.015 0.000 0.562 423 E CB -0.829 28.861 29.700 -0.016 0.000 1.042 423 E HN 0.106 nan 8.360 nan 0.000 0.426 424 G N 0.959 109.753 108.800 -0.010 0.000 2.785 424 G HA2 0.242 4.202 3.960 -0.001 0.000 0.256 424 G HA3 0.242 4.202 3.960 -0.001 0.000 0.256 424 G C 0.877 175.775 174.900 -0.003 0.000 1.248 424 G CA 0.293 45.389 45.100 -0.006 0.000 0.914 424 G HN 0.743 nan 8.290 nan 0.000 0.580 425 L N -2.073 119.149 121.223 -0.001 0.000 4.759 425 L HA -0.118 4.221 4.340 -0.001 0.000 0.419 425 L C -1.765 175.108 176.870 0.005 0.000 1.093 425 L CA 0.732 55.574 54.840 0.003 0.000 1.037 425 L CB -1.304 40.757 42.059 0.003 0.000 2.095 425 L HN 0.589 nan 8.230 nan 0.000 0.739 426 P HA 0.333 nan 4.420 nan 0.000 0.239 426 P C -2.218 175.087 177.300 0.008 0.000 1.807 426 P CA -1.303 61.802 63.100 0.009 0.000 1.132 426 P CB 1.114 32.820 31.700 0.010 0.000 1.903 427 P HA -0.207 nan 4.420 nan 0.000 0.218 427 P C 1.563 178.864 177.300 0.002 0.000 1.146 427 P CA 1.461 64.562 63.100 0.001 0.000 0.820 427 P CB 0.289 31.991 31.700 0.003 0.000 0.778 428 K N 0.801 121.209 120.400 0.014 0.000 1.992 428 K HA -0.190 4.129 4.320 -0.001 0.000 0.225 428 K C 2.030 178.646 176.600 0.027 0.000 1.020 428 K CA 1.951 58.252 56.287 0.024 0.000 1.042 428 K CB -0.590 31.934 32.500 0.040 0.000 0.772 428 K HN 0.074 nan 8.250 nan 0.000 0.444 429 E N 0.438 120.666 120.200 0.046 0.000 2.333 429 E HA -0.224 4.125 4.350 -0.001 0.000 0.200 429 E C 1.715 178.335 176.600 0.034 0.000 1.010 429 E CA 1.029 57.465 56.400 0.059 0.000 0.841 429 E CB -0.315 29.420 29.700 0.058 0.000 0.757 429 E HN 0.449 nan 8.360 nan 0.000 0.508 430 A N 1.909 124.738 122.820 0.015 0.000 1.892 430 A HA -0.223 4.097 4.320 -0.001 0.000 0.218 430 A C 2.452 180.033 177.584 -0.004 0.000 1.188 430 A CA 2.377 54.416 52.037 0.002 0.000 0.631 430 A CB -1.164 17.834 19.000 -0.005 0.000 0.822 430 A HN 0.387 nan 8.150 nan 0.000 0.447 431 T N -0.298 114.247 114.554 -0.016 0.000 2.746 431 T HA -0.149 4.201 4.350 -0.001 0.000 0.267 431 T C 2.008 176.688 174.700 -0.033 0.000 1.039 431 T CA 1.507 63.584 62.100 -0.038 0.000 1.142 431 T CB -0.273 68.552 68.868 -0.073 0.000 0.866 431 T HN 0.553 nan 8.240 nan 0.000 0.444 432 R N 1.368 121.859 120.500 -0.014 0.000 2.097 432 R HA -0.096 4.244 4.340 -0.001 0.000 0.236 432 R C 2.588 178.915 176.300 0.046 0.000 1.135 432 R CA 1.599 57.722 56.100 0.039 0.000 0.934 432 R CB -0.297 30.098 30.300 0.158 0.000 0.846 432 R HN 0.386 nan 8.270 nan 0.000 0.431 433 K N 0.165 120.589 120.400 0.040 0.000 2.071 433 K HA -0.275 4.045 4.320 -0.001 0.000 0.217 433 K C 2.345 178.961 176.600 0.026 0.000 1.054 433 K CA 2.078 58.383 56.287 0.029 0.000 0.937 433 K CB -0.487 32.021 32.500 0.013 0.000 0.719 433 K HN 0.110 nan 8.250 nan 0.000 0.454 434 S N 0.216 115.926 115.700 0.017 0.000 2.365 434 S HA -0.197 4.272 4.470 -0.001 0.000 0.225 434 S C 1.968 176.599 174.600 0.052 0.000 1.039 434 S CA 1.515 59.733 58.200 0.030 0.000 1.033 434 S CB -0.103 63.105 63.200 0.014 0.000 0.887 434 S HN 0.126 nan 8.310 nan 0.000 0.447 435 M N 1.170 120.789 119.600 0.033 0.000 2.082 435 M HA -0.028 4.451 4.480 -0.001 0.000 0.258 435 M C 2.536 178.868 176.300 0.053 0.000 1.071 435 M CA 1.817 57.140 55.300 0.038 0.000 1.103 435 M CB -2.420 30.197 32.600 0.028 0.000 1.307 435 M HN 0.484 nan 8.290 nan 0.000 0.409 436 G N -0.179 108.655 108.800 0.056 0.000 2.601 436 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.214 436 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.214 436 G C 1.418 176.356 174.900 0.062 0.000 1.132 436 G CA 0.619 45.751 45.100 0.053 0.000 0.761 436 G HN 0.687 nan 8.290 nan 0.000 0.550 437 Q N -1.247 118.610 119.800 0.095 0.000 2.280 437 Q HA 0.329 4.668 4.340 -0.001 0.000 0.228 437 Q C 1.743 177.869 176.000 0.210 0.000 0.857 437 Q CA 0.027 55.938 55.803 0.180 0.000 0.939 437 Q CB 0.631 29.494 28.738 0.209 0.000 1.114 437 Q HN 0.583 nan 8.270 nan 0.000 0.514 438 I N -0.791 119.845 120.570 0.109 0.000 3.650 438 I HA -0.058 4.111 4.170 -0.001 0.000 0.261 438 I C 1.837 177.954 176.117 -0.001 0.000 1.154 438 I CA -0.098 61.222 61.300 0.033 0.000 1.418 438 I CB -0.247 37.780 38.000 0.045 0.000 1.539 438 I HN -0.044 nan 8.210 nan 0.000 0.449 439 Q N 1.629 121.440 119.800 0.018 0.000 2.191 439 Q HA -0.354 3.985 4.340 -0.001 0.000 0.220 439 Q C 2.112 178.115 176.000 0.005 0.000 1.076 439 Q CA 2.628 58.441 55.803 0.017 0.000 0.945 439 Q CB -1.107 27.648 28.738 0.029 0.000 1.081 439 Q HN 0.705 nan 8.270 nan 0.000 0.460 440 G N 0.029 108.828 108.800 -0.002 0.000 2.599 440 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.219 440 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.219 440 G C 1.459 176.357 174.900 -0.003 0.000 1.193 440 G CA 1.774 46.870 45.100 -0.008 0.000 0.778 440 G HN 0.561 nan 8.290 nan 0.000 0.589 441 A N 0.293 123.099 122.820 -0.023 0.000 1.933 441 A HA 0.130 4.449 4.320 -0.001 0.000 0.218 441 A C 2.475 180.054 177.584 -0.008 0.000 1.175 441 A CA 1.355 53.386 52.037 -0.010 0.000 0.628 441 A CB -0.391 18.562 19.000 -0.077 0.000 0.814 441 A HN 0.378 nan 8.150 nan 0.000 0.444 442 L N -0.405 120.805 121.223 -0.021 0.000 2.081 442 L HA -0.204 4.135 4.340 -0.001 0.000 0.212 442 L C 2.412 179.280 176.870 -0.004 0.000 1.080 442 L CA 1.283 56.112 54.840 -0.018 0.000 0.754 442 L CB -0.442 41.608 42.059 -0.015 0.000 0.893 442 L HN 0.297 nan 8.230 nan 0.000 0.433 443 V N -0.782 119.137 119.914 0.009 0.000 2.535 443 V HA -0.051 4.069 4.120 -0.001 0.000 0.246 443 V C 2.506 178.613 176.094 0.022 0.000 1.045 443 V CA 1.606 63.916 62.300 0.017 0.000 1.058 443 V CB -0.937 30.898 31.823 0.021 0.000 0.689 443 V HN 0.510 nan 8.190 nan 0.000 0.461 444 G N 1.471 110.291 108.800 0.033 0.000 2.394 444 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.215 444 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.215 444 G C 1.539 176.462 174.900 0.039 0.000 1.165 444 G CA 1.131 46.261 45.100 0.050 0.000 0.784 444 G HN 0.638 nan 8.290 nan 0.000 0.535 445 I N 0.097 120.685 120.570 0.030 0.000 2.286 445 I HA 0.108 4.277 4.170 -0.001 0.000 0.248 445 I C 2.642 178.769 176.117 0.016 0.000 1.115 445 I CA 1.469 62.780 61.300 0.019 0.000 1.392 445 I CB -0.685 37.316 38.000 0.001 0.000 1.065 445 I HN 0.086 nan 8.210 nan 0.000 0.418 446 A N 0.125 122.948 122.820 0.005 0.000 2.067 446 A HA 0.031 4.350 4.320 -0.001 0.000 0.217 446 A C 2.274 179.863 177.584 0.009 0.000 1.156 446 A CA 1.606 53.639 52.037 -0.005 0.000 0.683 446 A CB -0.628 18.361 19.000 -0.018 0.000 0.808 446 A HN 0.526 nan 8.150 nan 0.000 0.455 447 M N -0.726 118.885 119.600 0.019 0.000 2.254 447 M HA -0.005 4.474 4.480 -0.001 0.000 0.265 447 M C 1.654 177.974 176.300 0.032 0.000 1.066 447 M CA 1.489 56.803 55.300 0.024 0.000 1.123 447 M CB -0.013 32.603 32.600 0.027 0.000 1.388 447 M HN 0.119 nan 8.290 nan 0.000 0.425 448 V N -0.435 119.501 119.914 0.037 0.000 2.500 448 V HA -0.106 4.013 4.120 -0.001 0.000 0.243 448 V C 2.227 178.362 176.094 0.068 0.000 1.039 448 V CA 0.896 63.223 62.300 0.045 0.000 1.053 448 V CB -0.715 31.129 31.823 0.035 0.000 0.695 448 V HN 0.503 nan 8.190 nan 0.000 0.463 449 L N 1.485 122.757 121.223 0.083 0.000 2.189 449 L HA -0.175 4.164 4.340 -0.001 0.000 0.214 449 L C 2.399 179.417 176.870 0.246 0.000 1.097 449 L CA 2.801 57.739 54.840 0.165 0.000 0.764 449 L CB -0.673 41.453 42.059 0.111 0.000 0.900 449 L HN 0.622 nan 8.230 nan 0.000 0.436 450 S N -0.293 115.478 115.700 0.118 0.000 2.388 450 S HA 0.036 4.505 4.470 -0.001 0.000 0.223 450 S C 2.173 176.820 174.600 0.078 0.000 1.034 450 S CA 0.564 58.819 58.200 0.092 0.000 0.963 450 S CB -0.552 62.662 63.200 0.024 0.000 0.827 450 S HN 0.457 nan 8.310 nan 0.000 0.481 451 A N 1.622 124.475 122.820 0.055 0.000 2.131 451 A HA 0.072 4.391 4.320 -0.001 0.000 0.220 451 A C 2.308 179.900 177.584 0.014 0.000 1.158 451 A CA 1.585 53.641 52.037 0.031 0.000 0.665 451 A CB -0.828 18.196 19.000 0.040 0.000 0.795 451 A HN 1.037 nan 8.150 nan 0.000 0.460 452 V N -5.513 114.411 119.914 0.016 0.000 3.379 452 V HA 0.240 4.359 4.120 -0.001 0.000 0.249 452 V C 1.903 177.893 176.094 -0.173 0.000 1.184 452 V CA 0.711 62.964 62.300 -0.077 0.000 1.106 452 V CB -0.626 31.136 31.823 -0.101 0.000 0.826 452 V HN 0.232 nan 8.190 nan 0.000 0.465 453 F N 1.023 120.923 119.950 -0.084 0.000 2.138 453 F HA 0.173 4.699 4.527 -0.001 0.000 0.283 453 F C 2.453 178.130 175.800 -0.204 0.000 1.100 453 F CA 2.296 60.204 58.000 -0.153 0.000 1.189 453 F CB -0.523 38.373 39.000 -0.173 0.000 1.060 453 F HN -0.070 nan 8.300 nan 0.000 0.492 454 V N 1.560 121.501 119.914 0.046 0.000 2.233 454 V HA -0.273 3.847 4.120 -0.001 0.000 0.252 454 V C -0.992 174.989 176.094 -0.189 0.000 1.063 454 V CA 2.163 64.420 62.300 -0.072 0.000 1.032 454 V CB -2.273 29.512 31.823 -0.063 0.000 0.645 454 V HN 0.200 nan 8.190 nan 0.000 0.446 455 P HA -0.106 nan 4.420 nan 0.000 0.296 455 P C 0.624 177.815 177.300 -0.183 0.000 1.447 455 P CA 1.322 64.268 63.100 -0.257 0.000 0.750 455 P CB 0.105 31.753 31.700 -0.087 0.000 1.451 456 M N -1.354 118.135 119.600 -0.186 0.000 2.188 456 M HA 0.331 4.810 4.480 -0.001 0.000 0.310 456 M C 1.788 178.081 176.300 -0.010 0.000 0.993 456 M CA 0.374 55.609 55.300 -0.107 0.000 1.127 456 M CB -0.424 32.106 32.600 -0.115 0.000 1.927 456 M HN -0.112 nan 8.290 nan 0.000 0.655 457 A N 0.142 122.916 122.820 -0.077 0.000 2.285 457 A HA -0.058 4.262 4.320 -0.001 0.000 0.214 457 A C 0.168 177.852 177.584 0.166 0.000 1.188 457 A CA 0.600 52.668 52.037 0.052 0.000 0.707 457 A CB -1.303 17.697 19.000 -0.001 0.000 0.771 457 A HN 0.375 nan 8.150 nan 0.000 0.488 458 F N 1.335 121.304 119.950 0.032 0.000 2.552 458 F HA 0.188 4.715 4.527 -0.001 0.000 0.342 458 F C 0.761 176.497 175.800 -0.107 0.000 1.257 458 F CA -1.328 56.570 58.000 -0.169 0.000 1.058 458 F CB -0.962 37.932 39.000 -0.177 0.000 1.288 458 F HN 0.389 nan 8.300 nan 0.000 0.627 459 F N -0.211 119.911 119.950 0.288 0.000 2.664 459 F HA 0.097 4.623 4.527 -0.001 0.000 0.294 459 F C 1.429 177.352 175.800 0.205 0.000 1.305 459 F CA -0.698 57.448 58.000 0.243 0.000 1.473 459 F CB -1.922 37.210 39.000 0.219 0.000 1.118 459 F HN 0.362 nan 8.300 nan 0.000 0.600 460 G N 0.960 109.803 108.800 0.072 0.000 2.198 460 G HA2 0.352 4.311 3.960 -0.001 0.000 0.280 460 G HA3 0.352 4.311 3.960 -0.001 0.000 0.280 460 G C 0.673 175.644 174.900 0.117 0.000 0.954 460 G CA 0.395 45.515 45.100 0.034 0.000 1.281 460 G HN 1.164 nan 8.290 nan 0.000 0.373 461 G N 1.210 110.092 108.800 0.138 0.000 2.631 461 G HA2 0.016 3.975 3.960 -0.001 0.000 0.504 461 G HA3 0.016 3.975 3.960 -0.001 0.000 0.504 461 G C 0.998 175.994 174.900 0.160 0.000 1.306 461 G CA 0.334 45.513 45.100 0.130 0.000 0.897 461 G HN 1.385 nan 8.290 nan 0.000 0.520 462 S N -1.309 114.452 115.700 0.102 0.000 2.507 462 S HA 0.005 4.474 4.470 -0.001 0.000 0.235 462 S C 2.129 176.772 174.600 0.070 0.000 0.988 462 S CA 2.431 60.674 58.200 0.071 0.000 0.944 462 S CB -0.311 62.885 63.200 -0.006 0.000 0.762 462 S HN 0.980 nan 8.310 nan 0.000 0.526 463 T N -0.060 114.567 114.554 0.121 0.000 3.040 463 T HA 0.188 4.537 4.350 -0.001 0.000 0.252 463 T C 1.914 176.816 174.700 0.337 0.000 1.064 463 T CA 0.601 62.836 62.100 0.224 0.000 1.110 463 T CB -0.479 68.563 68.868 0.289 0.000 0.921 463 T HN 0.467 nan 8.240 nan 0.000 0.480 464 G N 1.525 110.551 108.800 0.377 0.000 2.501 464 G HA2 -0.074 3.885 3.960 -0.001 0.000 0.220 464 G HA3 -0.074 3.885 3.960 -0.001 0.000 0.220 464 G C 1.710 176.832 174.900 0.369 0.000 1.114 464 G CA 0.828 46.201 45.100 0.455 0.000 0.757 464 G HN 0.559 nan 8.290 nan 0.000 0.559 465 A N 0.018 123.008 122.820 0.283 0.000 2.076 465 A HA 0.045 4.364 4.320 -0.001 0.000 0.220 465 A C 2.134 179.827 177.584 0.183 0.000 1.160 465 A CA 1.620 53.790 52.037 0.222 0.000 0.653 465 A CB -0.148 18.972 19.000 0.199 0.000 0.801 465 A HN 0.380 nan 8.150 nan 0.000 0.455 466 I N -3.901 116.760 120.570 0.151 0.000 3.443 466 I HA 0.118 4.287 4.170 -0.001 0.000 0.277 466 I C 1.857 177.993 176.117 0.033 0.000 1.169 466 I CA 0.208 61.523 61.300 0.026 0.000 1.419 466 I CB -0.743 37.175 38.000 -0.137 0.000 1.331 466 I HN 0.205 nan 8.210 nan 0.000 0.458 467 Y N 1.583 122.010 120.300 0.212 0.000 2.241 467 Y HA -0.232 4.318 4.550 -0.001 0.000 0.286 467 Y C 2.792 178.824 175.900 0.220 0.000 1.166 467 Y CA 1.710 59.990 58.100 0.300 0.000 1.203 467 Y CB -0.555 38.058 38.460 0.255 0.000 0.977 467 Y HN 0.082 nan 8.280 nan 0.000 0.529 468 R N 0.001 120.677 120.500 0.293 0.000 2.064 468 R HA -0.181 4.158 4.340 -0.001 0.000 0.228 468 R C 2.141 178.350 176.300 -0.152 0.000 1.144 468 R CA 1.513 57.699 56.100 0.143 0.000 0.932 468 R CB -0.313 30.111 30.300 0.205 0.000 0.833 468 R HN 0.206 nan 8.270 nan 0.000 0.429 469 Q N -0.304 119.413 119.800 -0.139 0.000 2.344 469 Q HA -0.227 4.112 4.340 -0.001 0.000 0.212 469 Q C 1.475 177.413 176.000 -0.102 0.000 0.991 469 Q CA 1.758 57.424 55.803 -0.229 0.000 0.897 469 Q CB -0.171 28.561 28.738 -0.011 0.000 0.915 469 Q HN 0.421 nan 8.270 nan 0.000 0.438 470 F N -0.719 119.155 119.950 -0.126 0.000 2.446 470 F HA -0.016 4.510 4.527 -0.001 0.000 0.234 470 F C 2.391 178.200 175.800 0.015 0.000 1.067 470 F CA 0.719 58.700 58.000 -0.033 0.000 0.986 470 F CB -0.670 38.336 39.000 0.010 0.000 1.145 470 F HN -0.109 nan 8.300 nan 0.000 0.661 471 S N 0.577 115.714 115.700 -0.939 0.000 2.503 471 S HA -0.305 4.164 4.470 -0.001 0.000 0.275 471 S C 1.536 175.884 174.600 -0.421 0.000 1.133 471 S CA 2.402 60.118 58.200 -0.806 0.000 1.060 471 S CB -1.058 61.996 63.200 -0.243 0.000 0.868 471 S HN 0.468 nan 8.310 nan 0.000 0.478 472 I N -1.065 119.323 120.570 -0.303 0.000 2.522 472 I HA 0.115 4.284 4.170 -0.001 0.000 0.240 472 I C 2.249 178.220 176.117 -0.242 0.000 1.078 472 I CA 1.311 62.503 61.300 -0.180 0.000 1.422 472 I CB -1.757 36.233 38.000 -0.017 0.000 1.188 472 I HN -0.026 nan 8.210 nan 0.000 0.442 473 T N 1.931 116.338 114.554 -0.246 0.000 2.774 473 T HA -0.233 4.116 4.350 -0.001 0.000 0.264 473 T C 1.743 176.294 174.700 -0.247 0.000 1.037 473 T CA 2.515 64.493 62.100 -0.203 0.000 1.152 473 T CB -0.609 68.188 68.868 -0.119 0.000 0.842 473 T HN 0.257 nan 8.240 nan 0.000 0.483 474 I N 0.088 120.451 120.570 -0.345 0.000 2.385 474 I HA 0.002 4.171 4.170 -0.001 0.000 0.244 474 I C 2.501 178.302 176.117 -0.527 0.000 1.089 474 I CA 0.423 61.415 61.300 -0.514 0.000 1.410 474 I CB -0.798 36.632 38.000 -0.950 0.000 1.117 474 I HN 0.045 nan 8.210 nan 0.000 0.429 475 V N 1.044 120.671 119.914 -0.478 0.000 2.392 475 V HA -0.295 3.824 4.120 -0.001 0.000 0.249 475 V C 2.593 178.551 176.094 -0.227 0.000 1.059 475 V CA 2.068 64.182 62.300 -0.310 0.000 1.051 475 V CB -1.443 30.276 31.823 -0.174 0.000 0.658 475 V HN 0.610 nan 8.190 nan 0.000 0.455 476 S N 1.817 117.383 115.700 -0.224 0.000 2.380 476 S HA -0.209 4.260 4.470 -0.001 0.000 0.213 476 S C 2.232 176.707 174.600 -0.208 0.000 1.037 476 S CA 1.420 59.496 58.200 -0.207 0.000 1.034 476 S CB -1.140 61.915 63.200 -0.241 0.000 1.022 476 S HN 0.679 nan 8.310 nan 0.000 0.418 477 A N 2.288 124.967 122.820 -0.234 0.000 2.001 477 A HA -0.256 4.063 4.320 -0.001 0.000 0.224 477 A C 2.333 179.792 177.584 -0.208 0.000 1.203 477 A CA 2.462 54.363 52.037 -0.226 0.000 0.667 477 A CB -1.057 17.796 19.000 -0.245 0.000 0.823 477 A HN 0.747 nan 8.150 nan 0.000 0.473 478 M N -0.788 118.672 119.600 -0.233 0.000 2.073 478 M HA -0.040 4.439 4.480 -0.001 0.000 0.259 478 M C 2.397 178.609 176.300 -0.146 0.000 1.079 478 M CA 1.908 57.086 55.300 -0.204 0.000 1.131 478 M CB -0.478 31.978 32.600 -0.240 0.000 1.316 478 M HN 0.407 nan 8.290 nan 0.000 0.415 479 A N 1.105 123.846 122.820 -0.130 0.000 1.903 479 A HA -0.212 4.107 4.320 -0.001 0.000 0.219 479 A C 2.047 179.574 177.584 -0.096 0.000 1.191 479 A CA 2.033 54.016 52.037 -0.091 0.000 0.638 479 A CB -1.305 17.651 19.000 -0.073 0.000 0.823 479 A HN 0.639 nan 8.150 nan 0.000 0.451 480 L N 0.252 121.405 121.223 -0.117 0.000 1.963 480 L HA -0.292 4.048 4.340 -0.001 0.000 0.220 480 L C 3.107 179.905 176.870 -0.119 0.000 1.076 480 L CA 2.214 56.982 54.840 -0.119 0.000 0.772 480 L CB -0.744 41.235 42.059 -0.133 0.000 0.892 480 L HN 0.635 nan 8.230 nan 0.000 0.435 481 S N -0.820 114.805 115.700 -0.125 0.000 2.387 481 S HA -0.171 4.298 4.470 -0.001 0.000 0.230 481 S C 1.903 176.440 174.600 -0.105 0.000 1.035 481 S CA 1.534 59.662 58.200 -0.119 0.000 1.014 481 S CB -0.912 62.212 63.200 -0.127 0.000 0.836 481 S HN 0.188 nan 8.310 nan 0.000 0.466 482 V N 1.672 121.530 119.914 -0.093 0.000 2.307 482 V HA -0.055 4.064 4.120 -0.001 0.000 0.245 482 V C 2.615 178.669 176.094 -0.066 0.000 1.045 482 V CA 1.568 63.828 62.300 -0.068 0.000 1.024 482 V CB -0.802 30.991 31.823 -0.048 0.000 0.651 482 V HN 0.442 nan 8.190 nan 0.000 0.449 483 L N 0.110 121.284 121.223 -0.081 0.000 2.005 483 L HA -0.081 4.258 4.340 -0.001 0.000 0.207 483 L C 2.516 179.289 176.870 -0.162 0.000 1.072 483 L CA 1.944 56.716 54.840 -0.113 0.000 0.744 483 L CB -0.890 41.094 42.059 -0.126 0.000 0.895 483 L HN 0.190 nan 8.230 nan 0.000 0.433 484 V N 0.942 120.764 119.914 -0.154 0.000 2.231 484 V HA -0.344 3.775 4.120 -0.001 0.000 0.250 484 V C 2.834 178.829 176.094 -0.164 0.000 1.058 484 V CA 2.030 64.228 62.300 -0.170 0.000 1.022 484 V CB -1.429 30.306 31.823 -0.147 0.000 0.640 484 V HN 0.590 nan 8.190 nan 0.000 0.445 485 A N -1.217 121.526 122.820 -0.129 0.000 2.186 485 A HA -0.124 4.195 4.320 -0.001 0.000 0.219 485 A C 2.184 179.710 177.584 -0.096 0.000 1.159 485 A CA 1.589 53.560 52.037 -0.109 0.000 0.680 485 A CB -0.486 18.462 19.000 -0.087 0.000 0.787 485 A HN 0.547 nan 8.150 nan 0.000 0.467 486 L N -1.183 119.979 121.223 -0.102 0.000 2.168 486 L HA 0.201 4.540 4.340 -0.001 0.000 0.203 486 L C 0.764 177.567 176.870 -0.112 0.000 1.078 486 L CA 0.535 55.340 54.840 -0.059 0.000 0.780 486 L CB 0.010 42.066 42.059 -0.004 0.000 0.939 486 L HN 0.344 nan 8.230 nan 0.000 0.451 487 I N -2.915 117.524 120.570 -0.219 0.000 3.436 487 I HA 0.177 4.347 4.170 -0.001 0.000 0.296 487 I C 0.856 176.811 176.117 -0.269 0.000 1.143 487 I CA -0.955 60.188 61.300 -0.262 0.000 1.009 487 I CB 1.376 39.147 38.000 -0.382 0.000 1.301 487 I HN -0.096 nan 8.210 nan 0.000 0.503 488 L N 0.428 121.462 121.223 -0.314 0.000 3.415 488 L HA -0.381 3.958 4.340 -0.001 0.000 0.185 488 L C 1.728 178.388 176.870 -0.350 0.000 4.448 488 L CA 2.995 57.594 54.840 -0.401 0.000 0.483 488 L CB -2.089 39.727 42.059 -0.405 0.000 3.552 488 L HN 0.878 nan 8.230 nan 0.000 0.712 489 T N 0.813 115.208 114.554 -0.264 0.000 2.595 489 T HA -0.101 4.249 4.350 -0.001 0.000 0.264 489 T C -0.584 174.009 174.700 -0.178 0.000 1.058 489 T CA 2.468 64.445 62.100 -0.204 0.000 1.166 489 T CB -0.936 67.838 68.868 -0.157 0.000 0.863 489 T HN 0.472 nan 8.240 nan 0.000 0.415 490 P HA -0.072 nan 4.420 nan 0.000 0.216 490 P C 1.481 178.680 177.300 -0.168 0.000 1.153 490 P CA 1.485 64.499 63.100 -0.143 0.000 0.858 490 P CB -0.243 31.376 31.700 -0.135 0.000 0.789 491 A N -0.774 121.926 122.820 -0.200 0.000 1.892 491 A HA -0.205 4.115 4.320 -0.001 0.000 0.218 491 A C 2.217 179.692 177.584 -0.183 0.000 1.188 491 A CA 1.676 53.593 52.037 -0.200 0.000 0.631 491 A CB -1.636 17.216 19.000 -0.245 0.000 0.822 491 A HN 0.097 nan 8.150 nan 0.000 0.447 492 L N -0.254 120.826 121.223 -0.239 0.000 1.993 492 L HA -0.209 4.130 4.340 -0.001 0.000 0.206 492 L C 3.014 179.820 176.870 -0.107 0.000 1.074 492 L CA 1.603 56.326 54.840 -0.196 0.000 0.746 492 L CB -1.149 40.748 42.059 -0.271 0.000 0.896 492 L HN 0.749 nan 8.230 nan 0.000 0.435 493 C N -0.369 118.863 119.300 -0.113 0.000 2.400 493 C HA -0.069 4.390 4.460 -0.001 0.000 0.291 493 C C 2.673 177.625 174.990 -0.063 0.000 1.372 493 C CA 0.254 59.226 59.018 -0.078 0.000 1.800 493 C CB -1.520 26.174 27.740 -0.078 0.000 1.869 493 C HN 0.492 nan 8.230 nan 0.000 0.533 494 A N 1.385 124.159 122.820 -0.077 0.000 1.956 494 A HA 0.116 4.435 4.320 -0.001 0.000 0.212 494 A C 2.317 179.881 177.584 -0.034 0.000 1.188 494 A CA 1.495 53.493 52.037 -0.065 0.000 0.675 494 A CB -0.893 18.043 19.000 -0.107 0.000 0.845 494 A HN 0.746 nan 8.150 nan 0.000 0.455 495 T N -2.957 111.582 114.554 -0.025 0.000 3.107 495 T HA 0.427 4.776 4.350 -0.001 0.000 0.249 495 T C 0.525 175.245 174.700 0.034 0.000 1.096 495 T CA -0.017 62.095 62.100 0.019 0.000 1.012 495 T CB -0.230 68.671 68.868 0.055 0.000 0.977 495 T HN 0.213 nan 8.240 nan 0.000 0.527 496 M N 1.947 121.554 119.600 0.012 0.000 2.336 496 M HA 0.478 4.957 4.480 -0.001 0.000 0.342 496 M C -0.624 175.680 176.300 0.008 0.000 1.128 496 M CA -0.998 54.314 55.300 0.020 0.000 1.016 496 M CB 1.925 34.533 32.600 0.013 0.000 1.665 496 M HN 0.099 nan 8.290 nan 0.000 0.445 497 L N 2.807 124.041 121.223 0.018 0.000 4.616 497 L HA -0.293 4.046 4.340 -0.001 0.000 0.579 497 L C 0.371 177.245 176.870 0.006 0.000 1.014 497 L CA 0.601 55.450 54.840 0.015 0.000 0.499 497 L CB -0.738 41.331 42.059 0.017 0.000 0.294 497 L HN 0.690 nan 8.230 nan 0.000 1.156 498 K N 1.053 121.459 120.400 0.010 0.000 2.463 498 K HA -0.196 4.123 4.320 -0.001 0.000 0.248 498 K C -2.037 174.562 176.600 -0.002 0.000 1.085 498 K CA -0.045 56.246 56.287 0.006 0.000 1.110 498 K CB -0.626 31.878 32.500 0.007 0.000 0.702 498 K HN 0.397 nan 8.250 nan 0.000 0.420 512 F N 2.022 122.158 119.950 0.311 0.000 2.562 512 F HA -0.409 4.117 4.527 -0.001 0.000 0.696 512 F C 1.726 177.812 175.800 0.476 0.000 0.486 512 F CA 2.761 60.992 58.000 0.385 0.000 0.708 512 F CB -1.432 37.748 39.000 0.300 0.000 1.600 512 F HN 0.408 nan 8.300 nan 0.000 0.266 513 F N 1.133 121.034 119.950 -0.083 0.000 2.063 513 F HA -0.122 4.405 4.527 -0.001 0.000 0.298 513 F C 2.799 178.582 175.800 -0.029 0.000 1.105 513 F CA 2.463 60.333 58.000 -0.217 0.000 1.215 513 F CB -1.533 37.423 39.000 -0.074 0.000 0.972 513 F HN 0.337 nan 8.300 nan 0.000 0.483 514 G N -1.535 107.437 108.800 0.287 0.000 2.469 514 G HA2 -0.345 3.614 3.960 -0.001 0.000 0.219 514 G HA3 -0.345 3.614 3.960 -0.001 0.000 0.219 514 G C 1.460 176.475 174.900 0.191 0.000 1.150 514 G CA 0.837 46.056 45.100 0.197 0.000 0.763 514 G HN 0.532 nan 8.290 nan 0.000 0.561 515 W N 0.683 122.067 121.300 0.141 0.000 2.358 515 W HA 0.011 4.670 4.660 -0.001 0.000 0.303 515 W C 2.061 178.652 176.519 0.120 0.000 1.208 515 W CA 1.314 58.753 57.345 0.156 0.000 1.274 515 W CB -0.550 29.069 29.460 0.265 0.000 1.138 515 W HN 0.108 nan 8.180 nan 0.000 0.515 516 F N 1.986 121.735 119.950 -0.334 0.000 2.074 516 F HA -0.150 4.376 4.527 -0.001 0.000 0.293 516 F C 2.254 177.832 175.800 -0.370 0.000 1.116 516 F CA 2.301 59.935 58.000 -0.610 0.000 1.212 516 F CB -1.127 37.436 39.000 -0.729 0.000 0.998 516 F HN -0.239 nan 8.300 nan 0.000 0.471 517 N N 0.587 119.158 118.700 -0.215 0.000 2.184 517 N HA -0.248 4.491 4.740 -0.001 0.000 0.190 517 N C 1.998 177.414 175.510 -0.155 0.000 1.011 517 N CA 1.513 54.456 53.050 -0.179 0.000 0.867 517 N CB -0.529 37.953 38.487 -0.008 0.000 0.993 517 N HN 0.418 nan 8.380 nan 0.000 0.433 518 R N 0.614 121.018 120.500 -0.161 0.000 2.140 518 R HA 0.037 4.377 4.340 -0.001 0.000 0.213 518 R C 1.959 178.135 176.300 -0.207 0.000 1.059 518 R CA 0.620 56.647 56.100 -0.122 0.000 1.000 518 R CB -0.003 30.274 30.300 -0.038 0.000 0.910 518 R HN 0.179 nan 8.270 nan 0.000 0.455 519 M N -1.423 117.926 119.600 -0.418 0.000 2.595 519 M HA 0.183 4.662 4.480 -0.001 0.000 0.248 519 M C 0.973 177.059 176.300 -0.358 0.000 1.119 519 M CA 1.186 56.219 55.300 -0.445 0.000 1.079 519 M CB 0.023 32.117 32.600 -0.843 0.000 1.472 519 M HN 0.066 nan 8.290 nan 0.000 0.501 520 F N 0.922 120.536 119.950 -0.561 0.000 2.343 520 F HA 0.269 4.795 4.527 -0.001 0.000 0.286 520 F C 2.015 177.676 175.800 -0.231 0.000 1.057 520 F CA 1.087 58.794 58.000 -0.487 0.000 1.365 520 F CB -0.044 38.515 39.000 -0.734 0.000 1.114 520 F HN 0.171 nan 8.300 nan 0.000 0.545 521 E N 0.252 120.403 120.200 -0.083 0.000 2.147 521 E HA -0.300 4.049 4.350 -0.001 0.000 0.199 521 E C 1.872 178.406 176.600 -0.111 0.000 1.005 521 E CA 1.667 58.023 56.400 -0.074 0.000 0.810 521 E CB -0.021 29.656 29.700 -0.038 0.000 0.736 521 E HN 0.223 nan 8.360 nan 0.000 0.460 522 K N 0.106 120.446 120.400 -0.100 0.000 1.975 522 K HA -0.012 4.308 4.320 -0.001 0.000 0.210 522 K C 2.200 178.806 176.600 0.009 0.000 1.041 522 K CA 1.270 57.543 56.287 -0.023 0.000 0.942 522 K CB -0.539 31.995 32.500 0.056 0.000 0.729 522 K HN -0.086 nan 8.250 nan 0.000 0.439 523 S N 0.400 116.080 115.700 -0.033 0.000 2.399 523 S HA -0.260 4.209 4.470 -0.001 0.000 0.235 523 S C 2.022 176.586 174.600 -0.061 0.000 1.063 523 S CA 2.138 60.315 58.200 -0.038 0.000 1.070 523 S CB -0.930 62.141 63.200 -0.216 0.000 0.904 523 S HN 0.397 nan 8.310 nan 0.000 0.456 524 T N 0.736 115.136 114.554 -0.256 0.000 2.684 524 T HA -0.192 4.157 4.350 -0.001 0.000 0.267 524 T C 1.674 176.411 174.700 0.062 0.000 1.036 524 T CA 1.661 63.684 62.100 -0.128 0.000 1.148 524 T CB -0.538 68.186 68.868 -0.239 0.000 0.863 524 T HN 0.666 nan 8.240 nan 0.000 0.436 525 H N -0.123 118.875 119.070 -0.120 0.000 2.353 525 H HA -0.128 4.427 4.556 -0.001 0.000 0.300 525 H C 2.350 177.594 175.328 -0.141 0.000 1.090 525 H CA 1.341 57.293 56.048 -0.159 0.000 1.327 525 H CB 0.008 29.620 29.762 -0.251 0.000 1.383 525 H HN 0.423 nan 8.280 nan 0.000 0.508 526 H N -0.795 118.217 119.070 -0.096 0.000 2.387 526 H HA -0.166 4.389 4.556 -0.001 0.000 0.299 526 H C 2.093 177.419 175.328 -0.005 0.000 1.090 526 H CA 1.533 57.501 56.048 -0.133 0.000 1.332 526 H CB -0.490 29.230 29.762 -0.070 0.000 1.386 526 H HN 0.512 nan 8.280 nan 0.000 0.516 527 Y N 1.976 122.323 120.300 0.079 0.000 2.200 527 Y HA -0.173 4.376 4.550 -0.001 0.000 0.290 527 Y C 2.301 178.252 175.900 0.084 0.000 1.137 527 Y CA 1.623 59.785 58.100 0.104 0.000 1.163 527 Y CB -0.384 38.104 38.460 0.047 0.000 0.988 527 Y HN -0.004 nan 8.280 nan 0.000 0.518 528 T N 0.240 114.663 114.554 -0.219 0.000 2.668 528 T HA -0.161 4.188 4.350 -0.001 0.000 0.262 528 T C 1.479 176.081 174.700 -0.164 0.000 1.045 528 T CA 1.493 63.431 62.100 -0.269 0.000 1.152 528 T CB -0.518 68.307 68.868 -0.072 0.000 0.864 528 T HN 0.274 nan 8.240 nan 0.000 0.419 529 D N 1.146 121.501 120.400 -0.075 0.000 2.172 529 D HA -0.129 4.510 4.640 -0.001 0.000 0.196 529 D C 2.451 178.701 176.300 -0.085 0.000 0.999 529 D CA 1.725 55.678 54.000 -0.079 0.000 0.856 529 D CB -0.332 40.346 40.800 -0.203 0.000 0.934 529 D HN 0.511 nan 8.370 nan 0.000 0.453 530 S N -0.655 114.997 115.700 -0.082 0.000 2.395 530 S HA -0.054 4.415 4.470 -0.001 0.000 0.225 530 S C 2.157 176.691 174.600 -0.110 0.000 1.027 530 S CA 0.645 58.806 58.200 -0.065 0.000 0.965 530 S CB -0.303 62.897 63.200 -0.001 0.000 0.812 530 S HN 0.081 nan 8.310 nan 0.000 0.482 531 V N 2.299 122.109 119.914 -0.173 0.000 2.626 531 V HA 0.003 4.122 4.120 -0.001 0.000 0.252 531 V C 2.873 178.877 176.094 -0.149 0.000 1.067 531 V CA 1.601 63.795 62.300 -0.176 0.000 1.081 531 V CB -1.643 29.994 31.823 -0.309 0.000 0.686 531 V HN 0.662 nan 8.190 nan 0.000 0.468 532 G N 0.463 109.187 108.800 -0.127 0.000 2.446 532 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.217 532 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.217 532 G C 1.640 176.492 174.900 -0.081 0.000 1.168 532 G CA 0.982 46.029 45.100 -0.088 0.000 0.771 532 G HN 0.561 nan 8.290 nan 0.000 0.551 533 G N 1.235 109.988 108.800 -0.079 0.000 2.459 533 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.217 533 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.217 533 G C 1.754 176.603 174.900 -0.085 0.000 1.183 533 G CA 0.875 45.938 45.100 -0.062 0.000 0.776 533 G HN 0.407 nan 8.290 nan 0.000 0.552 534 I N 0.633 121.106 120.570 -0.161 0.000 2.181 534 I HA -0.254 3.916 4.170 -0.001 0.000 0.247 534 I C 2.791 178.746 176.117 -0.270 0.000 1.081 534 I CA 0.990 62.089 61.300 -0.335 0.000 1.340 534 I CB -0.583 37.098 38.000 -0.531 0.000 1.036 534 I HN 0.199 nan 8.210 nan 0.000 0.417 535 L N 0.347 121.465 121.223 -0.176 0.000 1.933 535 L HA -0.264 4.075 4.340 -0.001 0.000 0.220 535 L C 2.760 179.591 176.870 -0.065 0.000 1.078 535 L CA 1.657 56.429 54.840 -0.113 0.000 0.773 535 L CB -0.834 41.184 42.059 -0.068 0.000 0.890 535 L HN 0.152 nan 8.230 nan 0.000 0.434 536 R N 0.114 120.590 120.500 -0.041 0.000 2.265 536 R HA -0.229 4.111 4.340 -0.001 0.000 0.256 536 R C 1.378 177.678 176.300 0.001 0.000 1.120 536 R CA 2.010 58.101 56.100 -0.016 0.000 0.956 536 R CB -0.918 29.375 30.300 -0.011 0.000 0.925 536 R HN 0.520 nan 8.270 nan 0.000 0.448 537 S N -0.250 115.461 115.700 0.017 0.000 2.979 537 S HA 0.119 4.588 4.470 -0.001 0.000 0.210 537 S C 1.046 175.716 174.600 0.117 0.000 1.364 537 S CA -0.134 58.107 58.200 0.068 0.000 1.208 537 S CB 0.799 64.064 63.200 0.108 0.000 1.167 537 S HN 0.366 nan 8.310 nan 0.000 0.519 538 T N -0.639 113.943 114.554 0.047 0.000 2.746 538 T HA -0.052 4.297 4.350 -0.001 0.000 0.267 538 T C 2.047 176.814 174.700 0.113 0.000 1.039 538 T CA 1.404 63.530 62.100 0.043 0.000 1.142 538 T CB -1.244 67.624 68.868 0.001 0.000 0.866 538 T HN 0.537 nan 8.240 nan 0.000 0.444 539 G N 1.966 110.813 108.800 0.079 0.000 2.553 539 G HA2 -0.372 3.587 3.960 -0.001 0.000 0.218 539 G HA3 -0.372 3.587 3.960 -0.001 0.000 0.218 539 G C 1.648 176.585 174.900 0.062 0.000 1.195 539 G CA 1.083 46.222 45.100 0.064 0.000 0.779 539 G HN 0.605 nan 8.290 nan 0.000 0.577 540 R N -0.797 119.728 120.500 0.042 0.000 2.154 540 R HA -0.185 4.154 4.340 -0.001 0.000 0.248 540 R C 2.125 178.299 176.300 -0.210 0.000 1.155 540 R CA 1.886 57.925 56.100 -0.102 0.000 0.979 540 R CB -0.290 29.902 30.300 -0.180 0.000 0.869 540 R HN 0.558 nan 8.270 nan 0.000 0.452 541 Y N -0.864 119.396 120.300 -0.067 0.000 2.464 541 Y HA 0.080 4.629 4.550 -0.001 0.000 0.288 541 Y C 1.874 177.781 175.900 0.012 0.000 1.133 541 Y CA 0.032 58.073 58.100 -0.098 0.000 1.223 541 Y CB -0.225 38.040 38.460 -0.324 0.000 1.187 541 Y HN -0.056 nan 8.280 nan 0.000 0.539 542 L N -0.370 120.955 121.223 0.170 0.000 2.447 542 L HA -0.178 4.161 4.340 -0.001 0.000 0.225 542 L C 1.503 178.502 176.870 0.215 0.000 1.148 542 L CA 0.503 55.442 54.840 0.164 0.000 0.808 542 L CB -0.099 42.020 42.059 0.101 0.000 0.928 542 L HN 0.140 nan 8.230 nan 0.000 0.448 543 V N -0.930 119.086 119.914 0.171 0.000 2.326 543 V HA -0.204 3.916 4.120 -0.001 0.000 0.238 543 V C 2.086 178.294 176.094 0.190 0.000 1.038 543 V CA 1.175 63.562 62.300 0.145 0.000 1.032 543 V CB -0.264 31.598 31.823 0.065 0.000 0.675 543 V HN 0.407 nan 8.190 nan 0.000 0.467 544 L N 0.231 121.552 121.223 0.164 0.000 2.103 544 L HA -0.279 4.061 4.340 -0.001 0.000 0.215 544 L C 2.289 179.354 176.870 0.325 0.000 1.080 544 L CA 2.615 57.570 54.840 0.192 0.000 0.764 544 L CB -1.082 41.068 42.059 0.152 0.000 0.890 544 L HN 0.529 nan 8.230 nan 0.000 0.435 545 Y N -0.072 120.441 120.300 0.356 0.000 2.049 545 Y HA -0.270 4.279 4.550 -0.001 0.000 0.277 545 Y C 2.294 178.319 175.900 0.209 0.000 1.143 545 Y CA 2.317 60.654 58.100 0.396 0.000 1.115 545 Y CB -0.650 38.146 38.460 0.560 0.000 0.975 545 Y HN 0.195 nan 8.280 nan 0.000 0.487 546 L N 0.012 121.476 121.223 0.402 0.000 2.151 546 L HA -0.329 4.010 4.340 -0.001 0.000 0.215 546 L C 2.424 179.314 176.870 0.033 0.000 1.084 546 L CA 1.076 56.023 54.840 0.178 0.000 0.764 546 L CB -0.736 41.448 42.059 0.210 0.000 0.891 546 L HN 0.409 nan 8.230 nan 0.000 0.435 547 I N 0.055 120.663 120.570 0.063 0.000 2.127 547 I HA -0.316 3.853 4.170 -0.001 0.000 0.241 547 I C 2.530 178.638 176.117 -0.016 0.000 1.075 547 I CA 1.876 63.193 61.300 0.028 0.000 1.334 547 I CB -0.778 37.253 38.000 0.052 0.000 1.040 547 I HN 0.232 nan 8.210 nan 0.000 0.405 548 I N 0.320 120.861 120.570 -0.048 0.000 2.099 548 I HA -0.289 3.880 4.170 -0.001 0.000 0.239 548 I C 2.608 178.648 176.117 -0.128 0.000 1.066 548 I CA 1.227 62.471 61.300 -0.093 0.000 1.324 548 I CB -0.856 37.042 38.000 -0.171 0.000 1.037 548 I HN -0.012 nan 8.210 nan 0.000 0.401 549 V N 0.997 120.760 119.914 -0.252 0.000 2.428 549 V HA -0.274 3.845 4.120 -0.001 0.000 0.255 549 V C 2.402 178.443 176.094 -0.089 0.000 1.080 549 V CA 1.839 64.008 62.300 -0.217 0.000 1.083 549 V CB -0.707 30.970 31.823 -0.243 0.000 0.665 549 V HN 0.302 nan 8.190 nan 0.000 0.461 550 V N 0.366 120.250 119.914 -0.051 0.000 2.346 550 V HA -0.020 4.099 4.120 -0.001 0.000 0.244 550 V C 2.604 178.720 176.094 0.037 0.000 1.037 550 V CA 1.859 64.153 62.300 -0.010 0.000 1.029 550 V CB -1.203 30.611 31.823 -0.015 0.000 0.663 550 V HN 0.570 nan 8.190 nan 0.000 0.454 551 G N -0.706 108.119 108.800 0.040 0.000 2.443 551 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.219 551 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.219 551 G C 1.604 176.600 174.900 0.159 0.000 1.131 551 G CA 0.941 46.114 45.100 0.122 0.000 0.775 551 G HN 0.405 nan 8.290 nan 0.000 0.547 552 M N 0.870 120.517 119.600 0.077 0.000 2.086 552 M HA 0.007 4.486 4.480 -0.001 0.000 0.261 552 M C 2.748 179.128 176.300 0.134 0.000 1.067 552 M CA 1.791 57.141 55.300 0.084 0.000 1.116 552 M CB -0.140 32.464 32.600 0.007 0.000 1.348 552 M HN 0.272 nan 8.290 nan 0.000 0.407 553 A N -0.556 122.317 122.820 0.089 0.000 1.930 553 A HA -0.216 4.103 4.320 -0.001 0.000 0.217 553 A C 1.926 179.624 177.584 0.191 0.000 1.175 553 A CA 1.482 53.572 52.037 0.088 0.000 0.627 553 A CB -1.210 17.801 19.000 0.019 0.000 0.815 553 A HN 0.730 nan 8.150 nan 0.000 0.443 554 Y N 0.467 120.802 120.300 0.059 0.000 2.049 554 Y HA -0.176 4.373 4.550 -0.002 0.000 0.277 554 Y C 1.957 177.901 175.900 0.073 0.000 1.143 554 Y CA 1.911 60.043 58.100 0.054 0.000 1.115 554 Y CB -0.672 37.807 38.460 0.031 0.000 0.975 554 Y HN 0.190 nan 8.280 nan 0.000 0.487 555 L N -0.923 120.308 121.223 0.014 0.000 2.261 555 L HA -0.242 4.097 4.340 -0.001 0.000 0.216 555 L C 2.289 179.122 176.870 -0.062 0.000 1.114 555 L CA 1.469 56.254 54.840 -0.092 0.000 0.777 555 L CB -0.554 41.534 42.059 0.049 0.000 0.910 555 L HN 0.329 nan 8.230 nan 0.000 0.440 556 F N -0.334 119.571 119.950 -0.075 0.000 2.219 556 F HA -0.124 4.402 4.527 -0.001 0.000 0.294 556 F C 2.248 178.000 175.800 -0.080 0.000 1.086 556 F CA 1.237 59.206 58.000 -0.052 0.000 1.330 556 F CB 0.130 39.121 39.000 -0.015 0.000 1.047 556 F HN -0.085 nan 8.300 nan 0.000 0.495 557 V N -1.461 118.568 119.914 0.192 0.000 2.719 557 V HA -0.065 4.055 4.120 -0.001 0.000 0.252 557 V C 2.325 178.369 176.094 -0.082 0.000 1.065 557 V CA 1.310 63.666 62.300 0.095 0.000 1.086 557 V CB -0.863 31.013 31.823 0.088 0.000 0.700 557 V HN 0.149 nan 8.190 nan 0.000 0.467 558 R N 0.463 120.839 120.500 -0.206 0.000 2.070 558 R HA 0.118 4.458 4.340 -0.001 0.000 0.227 558 R C 1.018 177.182 176.300 -0.226 0.000 1.147 558 R CA 0.942 56.877 56.100 -0.274 0.000 0.924 558 R CB -1.196 28.832 30.300 -0.453 0.000 0.827 558 R HN 0.519 nan 8.270 nan 0.000 0.431 559 L N 3.843 124.904 121.223 -0.270 0.000 2.771 559 L HA 0.015 4.354 4.340 -0.001 0.000 0.278 559 L C -2.040 174.659 176.870 -0.286 0.000 1.175 559 L CA -0.698 53.959 54.840 -0.306 0.000 0.973 559 L CB -0.054 41.744 42.059 -0.435 0.000 1.286 559 L HN 0.221 nan 8.230 nan 0.000 0.481 560 P HA 0.166 nan 4.420 nan 0.000 0.275 560 P C -0.990 176.219 177.300 -0.150 0.000 1.266 560 P CA -0.544 62.467 63.100 -0.148 0.000 0.793 560 P CB 1.174 32.810 31.700 -0.106 0.000 1.074 561 S N -1.127 114.525 115.700 -0.080 0.000 2.599 561 S HA 0.720 5.189 4.470 -0.001 0.000 0.287 561 S C -0.672 173.937 174.600 0.015 0.000 1.105 561 S CA -0.265 57.913 58.200 -0.037 0.000 0.899 561 S CB 0.862 64.062 63.200 -0.000 0.000 1.100 561 S HN 0.765 nan 8.310 nan 0.000 0.482 562 S N 2.061 117.795 115.700 0.056 0.000 2.790 562 S HA 0.639 5.108 4.470 -0.001 0.000 0.292 562 S C -0.202 174.511 174.600 0.189 0.000 1.197 562 S CA -0.586 57.675 58.200 0.102 0.000 0.851 562 S CB 0.681 63.924 63.200 0.072 0.000 1.217 562 S HN 0.669 nan 8.310 nan 0.000 0.526 563 F N 0.714 120.675 119.950 0.018 0.000 2.304 563 F HA 0.691 5.217 4.527 -0.001 0.000 0.267 563 F C -0.374 175.424 175.800 -0.003 0.000 1.062 563 F CA 0.118 58.120 58.000 0.004 0.000 1.112 563 F CB -0.412 38.587 39.000 -0.002 0.000 1.118 563 F HN 0.506 nan 8.300 nan 0.000 0.575 564 L N 1.133 122.194 121.223 -0.271 0.000 2.422 564 L HA 0.444 4.783 4.340 -0.001 0.000 0.264 564 L C -2.455 174.390 176.870 -0.042 0.000 0.984 564 L CA -1.855 52.808 54.840 -0.296 0.000 0.819 564 L CB 1.672 43.358 42.059 -0.622 0.000 1.330 564 L HN 0.044 nan 8.230 nan 0.000 0.410 565 P HA 0.093 nan 4.420 nan 0.000 0.267 565 P C -0.627 176.713 177.300 0.066 0.000 1.205 565 P CA -0.224 62.899 63.100 0.040 0.000 0.765 565 P CB 0.684 32.394 31.700 0.016 0.000 0.828 566 D N 1.594 122.035 120.400 0.067 0.000 2.387 566 D HA -0.065 4.575 4.640 -0.001 0.000 0.257 566 D C 0.149 176.513 176.300 0.107 0.000 1.198 566 D CA 0.492 54.542 54.000 0.083 0.000 0.945 566 D CB -0.473 40.372 40.800 0.075 0.000 0.907 566 D HN 0.518 nan 8.370 nan 0.000 0.518 567 E N 1.415 121.697 120.200 0.137 0.000 3.691 567 E HA -0.196 4.153 4.350 -0.001 0.000 0.274 567 E C 0.091 176.816 176.600 0.209 0.000 0.807 567 E CA 0.206 56.728 56.400 0.204 0.000 0.979 567 E CB -0.008 29.881 29.700 0.314 0.000 0.904 567 E HN 0.256 nan 8.360 nan 0.000 0.568 568 D N 3.561 124.101 120.400 0.233 0.000 2.520 568 D HA -0.131 4.508 4.640 -0.001 0.000 0.243 568 D C -0.120 176.397 176.300 0.361 0.000 1.160 568 D CA 0.738 54.877 54.000 0.231 0.000 0.877 568 D CB 0.568 41.513 40.800 0.242 0.000 1.150 568 D HN 0.333 nan 8.370 nan 0.000 0.494 569 Q N 2.980 122.844 119.800 0.105 0.000 2.268 569 Q HA 0.246 4.585 4.340 -0.001 0.000 0.289 569 Q C 1.184 177.068 176.000 -0.194 0.000 0.893 569 Q CA -0.122 55.691 55.803 0.017 0.000 1.057 569 Q CB 0.741 29.273 28.738 -0.343 0.000 1.173 569 Q HN 0.820 nan 8.270 nan 0.000 0.449 570 G N 0.477 108.931 108.800 -0.577 0.000 2.439 570 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.305 570 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.305 570 G C -0.032 174.665 174.900 -0.338 0.000 0.966 570 G CA 0.844 45.510 45.100 -0.725 0.000 0.890 570 G HN 0.373 nan 8.290 nan 0.000 0.513 571 V N -0.783 119.026 119.914 -0.176 0.000 3.225 571 V HA 0.826 4.945 4.120 -0.001 0.000 0.293 571 V C -0.725 175.388 176.094 0.032 0.000 1.405 571 V CA -0.163 62.011 62.300 -0.210 0.000 1.038 571 V CB 2.213 33.755 31.823 -0.469 0.000 1.123 571 V HN 1.537 nan 8.190 nan 0.000 0.447 572 F N 2.756 122.620 119.950 -0.143 0.000 3.069 572 F HA 0.770 5.296 4.527 -0.001 0.000 0.333 572 F C -1.668 174.141 175.800 0.015 0.000 1.111 572 F CA -1.079 56.914 58.000 -0.012 0.000 0.868 572 F CB 1.276 40.259 39.000 -0.029 0.000 1.409 572 F HN 0.653 nan 8.300 nan 0.000 0.450 573 M N 1.546 121.124 119.600 -0.037 0.000 2.465 573 M HA 0.627 5.106 4.480 -0.001 0.000 0.284 573 M C -1.737 174.249 176.300 -0.523 0.000 1.212 573 M CA -0.544 54.551 55.300 -0.342 0.000 0.910 573 M CB 2.066 34.589 32.600 -0.130 0.000 1.725 573 M HN 0.965 nan 8.290 nan 0.000 0.477 574 T N 3.409 117.779 114.554 -0.307 0.000 2.794 574 T HA 0.749 5.099 4.350 -0.001 0.000 0.280 574 T C -0.480 174.166 174.700 -0.090 0.000 0.987 574 T CA -0.802 61.225 62.100 -0.120 0.000 0.993 574 T CB 0.844 69.834 68.868 0.203 0.000 0.939 574 T HN 0.831 nan 8.240 nan 0.000 0.449 575 M N 3.815 123.471 119.600 0.092 0.000 2.300 575 M HA 0.790 5.269 4.480 -0.001 0.000 0.348 575 M C -1.377 174.971 176.300 0.081 0.000 1.151 575 M CA -0.829 54.510 55.300 0.064 0.000 1.046 575 M CB 1.665 34.409 32.600 0.240 0.000 1.647 575 M HN 0.218 nan 8.290 nan 0.000 0.451 576 V N 2.559 122.450 119.914 -0.038 0.000 2.495 576 V HA 0.564 4.683 4.120 -0.001 0.000 0.298 576 V C -0.742 175.346 176.094 -0.011 0.000 1.031 576 V CA -0.349 61.922 62.300 -0.048 0.000 0.871 576 V CB 1.487 33.242 31.823 -0.113 0.000 0.988 576 V HN 0.946 nan 8.190 nan 0.000 0.432 577 Q N 3.864 123.677 119.800 0.023 0.000 2.269 577 Q HA 0.527 4.866 4.340 -0.001 0.000 0.263 577 Q C -1.570 174.446 176.000 0.026 0.000 0.983 577 Q CA -0.266 55.562 55.803 0.042 0.000 0.777 577 Q CB 1.514 30.318 28.738 0.110 0.000 1.273 577 Q HN 0.629 nan 8.270 nan 0.000 0.440 578 L N 4.598 125.829 121.223 0.015 0.000 2.448 578 L HA 0.627 4.966 4.340 -0.001 0.000 0.258 578 L C -1.625 175.262 176.870 0.028 0.000 1.104 578 L CA -1.701 53.145 54.840 0.011 0.000 0.800 578 L CB 0.324 42.385 42.059 0.003 0.000 1.241 578 L HN 0.667 nan 8.230 nan 0.000 0.472 579 P HA 0.114 nan 4.420 nan 0.000 0.333 579 P C -1.030 176.298 177.300 0.048 0.000 1.343 579 P CA -0.353 62.770 63.100 0.037 0.000 0.761 579 P CB 0.433 32.150 31.700 0.029 0.000 1.701 580 A N -1.484 121.370 122.820 0.057 0.000 2.328 580 A HA 0.520 4.839 4.320 -0.001 0.000 0.284 580 A C 1.096 178.723 177.584 0.071 0.000 1.160 580 A CA 0.185 52.268 52.037 0.075 0.000 0.818 580 A CB -0.956 18.103 19.000 0.099 0.000 1.087 580 A HN 0.815 nan 8.150 nan 0.000 0.504 581 G N 0.788 109.636 108.800 0.079 0.000 2.155 581 G HA2 0.123 4.083 3.960 -0.001 0.000 0.257 581 G HA3 0.123 4.083 3.960 -0.001 0.000 0.257 581 G C 0.612 175.542 174.900 0.051 0.000 0.983 581 G CA 0.519 45.665 45.100 0.077 0.000 0.676 581 G HN 2.096 nan 8.290 nan 0.000 0.528 582 A N 0.082 122.927 122.820 0.042 0.000 2.425 582 A HA 0.704 5.023 4.320 -0.001 0.000 0.242 582 A C 1.021 178.621 177.584 0.027 0.000 1.077 582 A CA 1.149 53.202 52.037 0.026 0.000 0.781 582 A CB 0.267 19.279 19.000 0.020 0.000 1.020 582 A HN 1.716 nan 8.150 nan 0.000 0.494 583 T N -0.723 113.841 114.554 0.016 0.000 2.927 583 T HA 0.351 4.700 4.350 -0.001 0.000 0.281 583 T C 0.924 175.630 174.700 0.011 0.000 0.998 583 T CA -0.061 62.048 62.100 0.015 0.000 1.019 583 T CB 1.289 70.160 68.868 0.005 0.000 1.061 583 T HN 0.716 nan 8.240 nan 0.000 0.518 584 Q N 0.082 119.892 119.800 0.016 0.000 2.181 584 Q HA -0.222 4.117 4.340 -0.001 0.000 0.205 584 Q C 1.998 177.998 176.000 0.000 0.000 0.980 584 Q CA 1.950 57.763 55.803 0.016 0.000 0.862 584 Q CB -0.084 28.669 28.738 0.025 0.000 0.905 584 Q HN 0.913 nan 8.270 nan 0.000 0.429 585 E N 0.120 120.315 120.200 -0.007 0.000 2.015 585 E HA -0.222 4.127 4.350 -0.001 0.000 0.191 585 E C 2.173 178.761 176.600 -0.020 0.000 0.991 585 E CA 0.806 57.196 56.400 -0.016 0.000 0.802 585 E CB -0.055 29.632 29.700 -0.022 0.000 0.759 585 E HN 0.249 nan 8.360 nan 0.000 0.447 586 R N -0.145 120.345 120.500 -0.017 0.000 2.097 586 R HA -0.180 4.159 4.340 -0.001 0.000 0.236 586 R C 2.585 178.870 176.300 -0.025 0.000 1.135 586 R CA 2.124 58.211 56.100 -0.021 0.000 0.934 586 R CB -0.842 29.448 30.300 -0.015 0.000 0.846 586 R HN 0.256 nan 8.270 nan 0.000 0.431 587 T N -0.105 114.438 114.554 -0.019 0.000 2.665 587 T HA -0.275 4.075 4.350 -0.001 0.000 0.268 587 T C 1.808 176.485 174.700 -0.038 0.000 1.035 587 T CA 2.118 64.203 62.100 -0.026 0.000 1.151 587 T CB -0.213 68.648 68.868 -0.012 0.000 0.862 587 T HN 0.328 nan 8.240 nan 0.000 0.438 588 Q N 0.861 120.643 119.800 -0.031 0.000 2.234 588 Q HA -0.070 4.269 4.340 -0.001 0.000 0.206 588 Q C 2.181 178.154 176.000 -0.045 0.000 0.980 588 Q CA 1.769 57.550 55.803 -0.037 0.000 0.869 588 Q CB -0.361 28.360 28.738 -0.028 0.000 0.912 588 Q HN 0.620 nan 8.270 nan 0.000 0.436 589 K N -0.723 119.651 120.400 -0.043 0.000 2.057 589 K HA -0.103 4.216 4.320 -0.001 0.000 0.206 589 K C 1.722 178.285 176.600 -0.061 0.000 1.050 589 K CA 1.447 57.705 56.287 -0.047 0.000 0.935 589 K CB -0.026 32.447 32.500 -0.044 0.000 0.715 589 K HN 0.204 nan 8.250 nan 0.000 0.439 590 V N 1.954 121.826 119.914 -0.070 0.000 2.261 590 V HA -0.245 3.874 4.120 -0.001 0.000 0.246 590 V C 2.447 178.463 176.094 -0.129 0.000 1.047 590 V CA 1.541 63.781 62.300 -0.100 0.000 1.015 590 V CB -0.392 31.370 31.823 -0.101 0.000 0.642 590 V HN 0.289 nan 8.190 nan 0.000 0.446 591 L N 0.382 121.540 121.223 -0.110 0.000 2.187 591 L HA -0.178 4.161 4.340 -0.001 0.000 0.213 591 L C 2.385 179.203 176.870 -0.086 0.000 1.100 591 L CA 1.226 55.997 54.840 -0.115 0.000 0.765 591 L CB -0.579 41.427 42.059 -0.088 0.000 0.904 591 L HN 0.393 nan 8.230 nan 0.000 0.437 592 N N -0.175 118.487 118.700 -0.063 0.000 2.207 592 N HA -0.141 4.598 4.740 -0.001 0.000 0.182 592 N C 1.675 177.184 175.510 -0.002 0.000 1.020 592 N CA 1.028 54.062 53.050 -0.027 0.000 0.858 592 N CB -0.026 38.445 38.487 -0.027 0.000 0.991 592 N HN 0.376 nan 8.380 nan 0.000 0.427 593 E N 0.217 120.391 120.200 -0.043 0.000 2.204 593 E HA -0.086 4.264 4.350 -0.001 0.000 0.195 593 E C 1.712 178.314 176.600 0.002 0.000 0.990 593 E CA 0.565 56.949 56.400 -0.027 0.000 0.821 593 E CB 0.190 29.854 29.700 -0.060 0.000 0.750 593 E HN 0.108 nan 8.360 nan 0.000 0.477 594 V N 0.842 120.677 119.914 -0.131 0.000 2.407 594 V HA -0.161 3.958 4.120 -0.001 0.000 0.245 594 V C 2.185 178.305 176.094 0.043 0.000 1.041 594 V CA 1.889 64.020 62.300 -0.281 0.000 1.040 594 V CB -0.309 31.196 31.823 -0.529 0.000 0.671 594 V HN 0.296 nan 8.190 nan 0.000 0.455 595 T N -1.296 113.314 114.554 0.092 0.000 2.915 595 T HA -0.196 4.153 4.350 -0.001 0.000 0.269 595 T C 1.744 176.549 174.700 0.176 0.000 1.071 595 T CA 1.680 63.883 62.100 0.172 0.000 1.132 595 T CB -0.327 68.580 68.868 0.066 0.000 0.878 595 T HN 0.666 nan 8.240 nan 0.000 0.479 596 H N 0.185 119.300 119.070 0.075 0.000 2.293 596 H HA -0.113 4.442 4.556 -0.001 0.000 0.300 596 H C 2.022 177.401 175.328 0.084 0.000 1.082 596 H CA 1.851 57.934 56.048 0.059 0.000 1.308 596 H CB -0.457 29.331 29.762 0.042 0.000 1.375 596 H HN 0.398 nan 8.280 nan 0.000 0.495 597 Y N 0.356 120.733 120.300 0.129 0.000 1.979 597 Y HA -0.439 4.110 4.550 -0.001 0.000 0.262 597 Y C 2.061 177.941 175.900 -0.033 0.000 1.142 597 Y CA 2.421 60.532 58.100 0.018 0.000 1.096 597 Y CB -1.133 37.323 38.460 -0.007 0.000 0.958 597 Y HN 0.297 nan 8.280 nan 0.000 0.484 598 Y N 0.125 120.612 120.300 0.312 0.000 2.228 598 Y HA -0.301 4.248 4.550 -0.001 0.000 0.285 598 Y C 2.417 178.276 175.900 -0.068 0.000 1.178 598 Y CA 1.800 59.971 58.100 0.119 0.000 1.202 598 Y CB -0.915 37.672 38.460 0.211 0.000 0.974 598 Y HN 0.246 nan 8.280 nan 0.000 0.527 599 L N -1.981 119.269 121.223 0.045 0.000 2.209 599 L HA -0.084 4.255 4.340 -0.001 0.000 0.207 599 L C 2.368 179.136 176.870 -0.170 0.000 1.094 599 L CA 1.457 56.254 54.840 -0.073 0.000 0.790 599 L CB -0.338 41.664 42.059 -0.096 0.000 0.932 599 L HN 0.223 nan 8.230 nan 0.000 0.447 600 T N -0.553 113.837 114.554 -0.273 0.000 3.252 600 T HA -0.008 4.341 4.350 -0.001 0.000 0.233 600 T C 1.397 175.948 174.700 -0.249 0.000 0.975 600 T CA 0.266 62.192 62.100 -0.291 0.000 1.318 600 T CB 0.153 68.748 68.868 -0.455 0.000 1.014 600 T HN 0.075 nan 8.240 nan 0.000 0.418 601 K N 1.068 121.272 120.400 -0.328 0.000 2.632 601 K HA 0.098 4.417 4.320 -0.001 0.000 0.196 601 K C 0.538 176.859 176.600 -0.466 0.000 1.023 601 K CA 0.506 56.568 56.287 -0.375 0.000 1.098 601 K CB 0.152 32.400 32.500 -0.420 0.000 0.862 601 K HN 0.310 nan 8.250 nan 0.000 0.504 602 E N 0.354 120.344 120.200 -0.349 0.000 2.694 602 E HA -0.015 4.334 4.350 -0.001 0.000 0.142 602 E C 0.549 177.103 176.600 -0.077 0.000 0.861 602 E CA 0.013 56.286 56.400 -0.211 0.000 1.387 602 E CB 0.046 29.599 29.700 -0.245 0.000 0.989 602 E HN 0.191 nan 8.360 nan 0.000 0.462 603 K N -0.209 120.133 120.400 -0.096 0.000 2.281 603 K HA -0.130 4.189 4.320 -0.001 0.000 0.203 603 K C 0.828 177.405 176.600 -0.038 0.000 1.046 603 K CA 1.694 57.944 56.287 -0.061 0.000 0.938 603 K CB -0.221 32.230 32.500 -0.081 0.000 0.737 603 K HN 0.027 nan 8.250 nan 0.000 0.458 604 N N 1.200 119.877 118.700 -0.038 0.000 2.244 604 N HA -0.106 4.633 4.740 -0.001 0.000 0.183 604 N C 0.916 176.423 175.510 -0.006 0.000 1.016 604 N CA 1.579 54.615 53.050 -0.022 0.000 0.866 604 N CB -0.136 38.337 38.487 -0.025 0.000 0.980 604 N HN 0.444 nan 8.380 nan 0.000 0.430 605 N N -0.768 117.937 118.700 0.007 0.000 2.463 605 N HA 0.138 4.878 4.740 -0.001 0.000 0.183 605 N C -0.687 174.839 175.510 0.027 0.000 1.064 605 N CA -0.116 52.948 53.050 0.023 0.000 0.879 605 N CB 0.943 39.459 38.487 0.047 0.000 1.148 605 N HN -0.116 nan 8.380 nan 0.000 0.451 606 V N 1.961 121.900 119.914 0.043 0.000 2.508 606 V HA 0.017 4.136 4.120 -0.001 0.000 0.281 606 V C 1.132 177.214 176.094 -0.019 0.000 1.041 606 V CA 0.379 62.693 62.300 0.025 0.000 1.016 606 V CB 1.368 33.230 31.823 0.066 0.000 0.984 606 V HN 0.225 nan 8.190 nan 0.000 0.478 607 E N 4.102 124.279 120.200 -0.038 0.000 2.030 607 E HA 0.019 4.368 4.350 -0.001 0.000 0.189 607 E C 0.721 177.283 176.600 -0.064 0.000 0.974 607 E CA 1.024 57.404 56.400 -0.034 0.000 0.807 607 E CB 0.333 30.026 29.700 -0.012 0.000 0.771 607 E HN 0.837 nan 8.360 nan 0.000 0.451 608 S N -0.958 114.701 115.700 -0.068 0.000 2.537 608 S HA 0.620 5.089 4.470 -0.001 0.000 0.270 608 S C -1.053 173.482 174.600 -0.107 0.000 1.142 608 S CA -1.041 57.066 58.200 -0.155 0.000 0.870 608 S CB 1.868 64.998 63.200 -0.118 0.000 1.112 608 S HN -0.005 nan 8.310 nan 0.000 0.466 609 V N 2.441 122.253 119.914 -0.171 0.000 2.581 609 V HA 0.652 4.771 4.120 -0.001 0.000 0.303 609 V C -1.128 175.018 176.094 0.086 0.000 1.041 609 V CA -0.658 61.599 62.300 -0.071 0.000 0.907 609 V CB 1.435 33.210 31.823 -0.081 0.000 0.994 609 V HN 0.903 nan 8.190 nan 0.000 0.442 610 F N 3.743 123.728 119.950 0.059 0.000 2.500 610 F HA 0.775 5.302 4.527 -0.001 0.000 0.349 610 F C 0.153 175.977 175.800 0.039 0.000 1.127 610 F CA -0.386 57.692 58.000 0.130 0.000 0.998 610 F CB 0.938 40.029 39.000 0.151 0.000 1.237 610 F HN 0.589 nan 8.300 nan 0.000 0.439 611 A N 5.036 127.756 122.820 -0.167 0.000 2.324 611 A HA 0.838 5.157 4.320 -0.001 0.000 0.330 611 A C -1.577 175.891 177.584 -0.192 0.000 1.165 611 A CA -0.650 51.319 52.037 -0.113 0.000 0.813 611 A CB 1.488 20.420 19.000 -0.114 0.000 1.197 611 A HN 0.531 nan 8.150 nan 0.000 0.484 612 V N 2.635 122.498 119.914 -0.084 0.000 2.482 612 V HA 0.312 4.431 4.120 -0.001 0.000 0.295 612 V C -0.147 175.951 176.094 0.007 0.000 1.026 612 V CA -0.680 61.585 62.300 -0.058 0.000 0.856 612 V CB 1.484 33.278 31.823 -0.049 0.000 1.001 612 V HN 0.987 nan 8.190 nan 0.000 0.424 613 N N 3.313 122.020 118.700 0.011 0.000 2.426 613 N HA 0.563 5.302 4.740 -0.001 0.000 0.275 613 N C 0.425 175.991 175.510 0.093 0.000 1.019 613 N CA 0.476 53.544 53.050 0.030 0.000 0.941 613 N CB 1.172 39.660 38.487 0.003 0.000 1.123 613 N HN 1.138 nan 8.380 nan 0.000 0.486 614 G N 3.239 112.107 108.800 0.114 0.000 2.742 614 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.257 614 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.257 614 G C -0.702 174.382 174.900 0.305 0.000 1.143 614 G CA -0.088 45.108 45.100 0.160 0.000 1.064 614 G HN 0.778 nan 8.290 nan 0.000 0.529 615 F N -0.131 119.858 119.950 0.065 0.000 3.608 615 F HA 0.450 4.976 4.527 -0.001 0.000 0.333 615 F C 0.327 176.138 175.800 0.018 0.000 0.908 615 F CA 0.214 58.280 58.000 0.109 0.000 1.598 615 F CB -0.207 38.932 39.000 0.232 0.000 1.904 615 F HN 0.662 nan 8.300 nan 0.000 0.867 616 G N 2.040 110.597 108.800 -0.406 0.000 2.857 616 G HA2 0.402 4.361 3.960 -0.001 0.000 0.217 616 G HA3 0.402 4.361 3.960 -0.001 0.000 0.217 616 G C -0.268 174.287 174.900 -0.576 0.000 1.357 616 G CA -0.565 44.240 45.100 -0.492 0.000 1.033 616 G HN 0.311 nan 8.290 nan 0.000 0.571 617 F N 0.761 120.605 119.950 -0.175 0.000 2.732 617 F HA 0.596 5.122 4.527 -0.002 0.000 0.303 617 F C 1.255 177.000 175.800 -0.091 0.000 1.110 617 F CA 0.156 58.086 58.000 -0.117 0.000 1.355 617 F CB -0.152 38.834 39.000 -0.023 0.000 1.081 617 F HN 0.600 nan 8.300 nan 0.000 0.565 618 A N -1.459 121.382 122.820 0.035 0.000 5.767 618 A HA 0.550 4.869 4.320 -0.001 0.000 0.190 618 A C 1.504 179.088 177.584 -0.000 0.000 0.899 618 A CA 0.009 52.065 52.037 0.032 0.000 0.816 618 A CB -0.768 18.269 19.000 0.062 0.000 2.140 618 A HN 0.387 nan 8.150 nan 0.000 1.042 619 G N -0.163 108.654 108.800 0.028 0.000 4.116 619 G HA2 -0.337 3.622 3.960 -0.001 0.000 0.257 619 G HA3 -0.337 3.622 3.960 -0.001 0.000 0.257 619 G C 0.729 175.651 174.900 0.037 0.000 1.857 619 G CA 2.456 47.576 45.100 0.033 0.000 1.973 619 G HN 2.021 nan 8.290 nan 0.000 0.865 620 R N -0.456 120.055 120.500 0.018 0.000 3.169 620 R HA 0.113 4.452 4.340 -0.001 0.000 0.589 620 R C 0.725 177.074 176.300 0.082 0.000 0.903 620 R CA 1.890 58.023 56.100 0.056 0.000 1.755 620 R CB -0.951 29.398 30.300 0.081 0.000 1.999 620 R HN 2.845 nan 8.270 nan 0.000 0.586 621 G N 1.214 110.082 108.800 0.114 0.000 2.781 621 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.683 621 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.683 621 G C -0.395 174.557 174.900 0.087 0.000 1.390 621 G CA 0.275 45.437 45.100 0.104 0.000 0.850 621 G HN 1.039 nan 8.290 nan 0.000 0.557 622 Q N 0.157 120.005 119.800 0.080 0.000 2.457 622 Q HA 0.100 4.439 4.340 -0.001 0.000 0.285 622 Q C 0.603 176.633 176.000 0.051 0.000 1.275 622 Q CA 1.242 57.082 55.803 0.061 0.000 0.992 622 Q CB -0.397 28.373 28.738 0.055 0.000 1.334 622 Q HN 0.934 nan 8.270 nan 0.000 0.460 623 N N 0.735 119.460 118.700 0.042 0.000 2.395 623 N HA -0.099 4.641 4.740 -0.001 0.000 0.334 623 N C -0.836 174.686 175.510 0.021 0.000 1.004 623 N CA 0.716 53.786 53.050 0.034 0.000 1.351 623 N CB 0.387 38.902 38.487 0.045 0.000 2.253 623 N HN 0.685 nan 8.380 nan 0.000 1.053 624 T N -1.274 113.290 114.554 0.018 0.000 2.916 624 T HA 0.829 5.178 4.350 -0.001 0.000 0.292 624 T C -0.148 174.541 174.700 -0.019 0.000 1.055 624 T CA -0.214 61.880 62.100 -0.010 0.000 1.009 624 T CB 2.264 71.112 68.868 -0.033 0.000 1.118 624 T HN 0.147 nan 8.240 nan 0.000 0.497 625 G N 0.482 109.244 108.800 -0.063 0.000 2.690 625 G HA2 0.661 4.620 3.960 -0.001 0.000 0.293 625 G HA3 0.661 4.620 3.960 -0.001 0.000 0.293 625 G C -2.023 172.782 174.900 -0.158 0.000 1.399 625 G CA -0.714 44.343 45.100 -0.071 0.000 0.890 625 G HN 0.886 nan 8.290 nan 0.000 0.485 626 I N -0.080 120.392 120.570 -0.162 0.000 2.934 626 I HA 0.859 5.028 4.170 -0.001 0.000 0.306 626 I C -0.384 175.567 176.117 -0.276 0.000 1.110 626 I CA -1.143 59.968 61.300 -0.317 0.000 1.019 626 I CB 2.415 40.173 38.000 -0.404 0.000 1.227 626 I HN 0.936 nan 8.210 nan 0.000 0.434 627 A N 5.814 128.416 122.820 -0.365 0.000 2.876 627 A HA 0.525 4.844 4.320 -0.001 0.000 0.309 627 A C -1.419 175.993 177.584 -0.286 0.000 1.168 627 A CA -0.333 51.565 52.037 -0.231 0.000 0.762 627 A CB -0.389 18.530 19.000 -0.136 0.000 1.262 627 A HN 0.422 nan 8.150 nan 0.000 0.435 628 F N 1.725 121.636 119.950 -0.065 0.000 2.519 628 F HA 0.315 4.842 4.527 -0.001 0.000 0.375 628 F C 0.656 176.373 175.800 -0.137 0.000 1.084 628 F CA 0.311 58.286 58.000 -0.041 0.000 1.147 628 F CB 0.704 39.691 39.000 -0.021 0.000 1.088 628 F HN 0.240 nan 8.300 nan 0.000 0.555 629 V N 2.635 122.376 119.914 -0.289 0.000 2.612 629 V HA 0.433 4.552 4.120 -0.001 0.000 0.301 629 V C -0.063 175.827 176.094 -0.339 0.000 1.046 629 V CA -0.669 61.311 62.300 -0.533 0.000 0.946 629 V CB 1.918 32.965 31.823 -1.293 0.000 1.003 629 V HN 0.705 nan 8.190 nan 0.000 0.459 630 S N 4.609 120.187 115.700 -0.203 0.000 2.718 630 S HA 0.569 5.038 4.470 -0.001 0.000 0.294 630 S C -0.585 173.950 174.600 -0.108 0.000 1.157 630 S CA -0.620 57.507 58.200 -0.122 0.000 1.121 630 S CB 0.045 63.244 63.200 -0.002 0.000 1.015 630 S HN 0.543 nan 8.310 nan 0.000 0.479 631 L N 3.644 124.802 121.223 -0.108 0.000 2.476 631 L HA 0.333 4.672 4.340 -0.001 0.000 0.264 631 L C 1.065 177.861 176.870 -0.123 0.000 1.224 631 L CA -0.591 54.203 54.840 -0.076 0.000 0.821 631 L CB 0.303 42.335 42.059 -0.046 0.000 1.101 631 L HN 0.436 nan 8.230 nan 0.000 0.488 632 K N 0.651 120.999 120.400 -0.086 0.000 2.187 632 K HA 0.019 4.338 4.320 -0.001 0.000 0.247 632 K C -0.381 176.135 176.600 -0.141 0.000 1.019 632 K CA -0.418 55.823 56.287 -0.077 0.000 0.893 632 K CB 0.198 32.678 32.500 -0.032 0.000 1.025 632 K HN 0.505 nan 8.250 nan 0.000 0.500 633 D N -0.062 120.289 120.400 -0.080 0.000 2.567 633 D HA -0.171 4.468 4.640 -0.001 0.000 0.228 633 D C 0.791 177.064 176.300 -0.045 0.000 1.185 633 D CA 0.473 54.442 54.000 -0.051 0.000 0.874 633 D CB 0.365 41.206 40.800 0.068 0.000 1.219 633 D HN 0.312 nan 8.370 nan 0.000 0.494 634 W N 2.779 124.117 121.300 0.064 0.000 2.335 634 W HA -0.140 4.519 4.660 -0.001 0.000 0.311 634 W C 2.517 179.070 176.519 0.056 0.000 1.213 634 W CA 1.263 58.651 57.345 0.071 0.000 1.274 634 W CB -1.180 28.331 29.460 0.084 0.000 1.148 634 W HN 0.562 nan 8.180 nan 0.000 0.498 635 A N 0.971 123.977 122.820 0.308 0.000 1.849 635 A HA -0.241 4.078 4.320 -0.001 0.000 0.217 635 A C 1.530 179.185 177.584 0.119 0.000 1.202 635 A CA 2.127 54.272 52.037 0.180 0.000 0.629 635 A CB -1.195 17.891 19.000 0.143 0.000 0.834 635 A HN 0.250 nan 8.150 nan 0.000 0.447 636 D N -0.061 120.394 120.400 0.092 0.000 2.389 636 D HA -0.032 4.607 4.640 -0.001 0.000 0.250 636 D C 0.256 176.586 176.300 0.050 0.000 1.136 636 D CA 0.620 54.654 54.000 0.057 0.000 0.945 636 D CB -0.255 40.569 40.800 0.039 0.000 0.890 636 D HN 0.419 nan 8.370 nan 0.000 0.525 637 R N 0.928 121.470 120.500 0.070 0.000 2.629 637 R HA 0.168 4.507 4.340 -0.001 0.000 0.277 637 R C -1.952 174.394 176.300 0.078 0.000 1.637 637 R CA -1.102 55.035 56.100 0.061 0.000 1.663 637 R CB 1.746 32.075 30.300 0.049 0.000 1.228 637 R HN 0.072 nan 8.270 nan 0.000 0.632 638 P HA -0.122 nan 4.420 nan 0.000 0.248 638 P C 0.584 177.917 177.300 0.056 0.000 1.331 638 P CA 0.153 63.289 63.100 0.061 0.000 0.699 638 P CB -0.044 31.683 31.700 0.045 0.000 1.196 639 G N -0.171 108.654 108.800 0.042 0.000 2.601 639 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.234 639 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.234 639 G C 0.930 175.853 174.900 0.038 0.000 0.913 639 G CA 0.249 45.370 45.100 0.036 0.000 0.933 639 G HN 0.460 nan 8.290 nan 0.000 0.414 640 E N 0.956 121.177 120.200 0.035 0.000 2.301 640 E HA -0.209 4.140 4.350 -0.001 0.000 0.202 640 E C 2.057 178.672 176.600 0.026 0.000 1.017 640 E CA 1.209 57.629 56.400 0.034 0.000 0.831 640 E CB 0.091 29.807 29.700 0.026 0.000 0.742 640 E HN 0.593 nan 8.360 nan 0.000 0.491 641 E N 0.718 120.931 120.200 0.022 0.000 2.118 641 E HA -0.130 4.219 4.350 -0.001 0.000 0.195 641 E C 1.192 177.803 176.600 0.018 0.000 0.992 641 E CA 0.838 57.248 56.400 0.016 0.000 0.804 641 E CB -0.103 29.605 29.700 0.013 0.000 0.741 641 E HN 0.269 nan 8.360 nan 0.000 0.458 642 N N 0.814 119.529 118.700 0.026 0.000 2.276 642 N HA 0.035 4.774 4.740 -0.001 0.000 0.212 642 N C -0.026 175.503 175.510 0.032 0.000 1.127 642 N CA 0.185 53.252 53.050 0.028 0.000 0.834 642 N CB 0.588 39.093 38.487 0.030 0.000 1.014 642 N HN 0.076 nan 8.380 nan 0.000 0.491 643 K N -0.084 120.335 120.400 0.032 0.000 2.090 643 K HA 0.185 4.504 4.320 -0.001 0.000 0.249 643 K C 1.192 177.789 176.600 -0.006 0.000 0.995 643 K CA -0.484 55.825 56.287 0.037 0.000 0.914 643 K CB 2.107 34.643 32.500 0.060 0.000 1.057 643 K HN -0.294 nan 8.250 nan 0.000 0.462 644 V N 1.804 121.706 119.914 -0.021 0.000 2.250 644 V HA -0.335 3.784 4.120 -0.001 0.000 0.250 644 V C 2.174 178.171 176.094 -0.162 0.000 1.060 644 V CA 2.665 64.891 62.300 -0.123 0.000 1.030 644 V CB -0.350 31.425 31.823 -0.080 0.000 0.643 644 V HN 0.945 nan 8.190 nan 0.000 0.445 645 E N -0.571 119.588 120.200 -0.068 0.000 2.118 645 E HA -0.216 4.133 4.350 -0.001 0.000 0.195 645 E C 2.084 178.650 176.600 -0.057 0.000 0.992 645 E CA 1.614 57.983 56.400 -0.052 0.000 0.804 645 E CB -0.391 29.305 29.700 -0.007 0.000 0.741 645 E HN 0.724 nan 8.360 nan 0.000 0.458 646 A N 1.125 123.920 122.820 -0.041 0.000 1.841 646 A HA -0.121 4.198 4.320 -0.001 0.000 0.214 646 A C 2.218 179.779 177.584 -0.037 0.000 1.195 646 A CA 1.372 53.394 52.037 -0.026 0.000 0.611 646 A CB -0.730 18.267 19.000 -0.006 0.000 0.835 646 A HN 0.336 nan 8.150 nan 0.000 0.443 647 I N 0.610 121.153 120.570 -0.045 0.000 2.113 647 I HA -0.324 3.845 4.170 -0.001 0.000 0.242 647 I C 2.831 178.913 176.117 -0.058 0.000 1.064 647 I CA 2.133 63.428 61.300 -0.009 0.000 1.320 647 I CB -0.834 37.166 38.000 0.000 0.000 1.028 647 I HN 0.548 nan 8.210 nan 0.000 0.406 648 T N -0.810 113.596 114.554 -0.246 0.000 2.788 648 T HA -0.264 4.085 4.350 -0.001 0.000 0.268 648 T C 1.801 176.439 174.700 -0.104 0.000 1.044 648 T CA 1.397 63.346 62.100 -0.250 0.000 1.139 648 T CB -0.459 68.207 68.868 -0.337 0.000 0.867 648 T HN 0.365 nan 8.240 nan 0.000 0.454 649 M N 1.086 120.638 119.600 -0.080 0.000 2.066 649 M HA -0.110 4.370 4.480 -0.001 0.000 0.259 649 M C 2.662 178.910 176.300 -0.087 0.000 1.074 649 M CA 1.628 56.896 55.300 -0.053 0.000 1.114 649 M CB -0.191 32.390 32.600 -0.032 0.000 1.306 649 M HN 0.102 nan 8.290 nan 0.000 0.411 650 R N 0.238 120.699 120.500 -0.065 0.000 2.113 650 R HA -0.205 4.134 4.340 -0.001 0.000 0.244 650 R C 2.302 178.457 176.300 -0.241 0.000 1.142 650 R CA 1.940 58.002 56.100 -0.062 0.000 0.953 650 R CB -0.901 29.434 30.300 0.058 0.000 0.860 650 R HN 0.597 nan 8.270 nan 0.000 0.438 651 A N 0.856 123.454 122.820 -0.369 0.000 1.877 651 A HA -0.213 4.106 4.320 -0.001 0.000 0.216 651 A C 2.368 179.380 177.584 -0.954 0.000 1.186 651 A CA 2.278 53.675 52.037 -1.067 0.000 0.620 651 A CB -1.218 17.312 19.000 -0.784 0.000 0.822 651 A HN 0.585 nan 8.150 nan 0.000 0.443 652 T N -1.717 112.600 114.554 -0.394 0.000 2.665 652 T HA -0.275 4.074 4.350 -0.001 0.000 0.268 652 T C 1.985 176.546 174.700 -0.231 0.000 1.035 652 T CA 1.659 63.648 62.100 -0.186 0.000 1.151 652 T CB -0.440 68.429 68.868 0.002 0.000 0.862 652 T HN 0.493 nan 8.240 nan 0.000 0.438 653 R N 1.191 121.558 120.500 -0.222 0.000 2.148 653 R HA 0.124 4.463 4.340 -0.001 0.000 0.227 653 R C 2.608 178.769 176.300 -0.232 0.000 1.103 653 R CA 1.001 57.000 56.100 -0.167 0.000 0.983 653 R CB -0.590 29.641 30.300 -0.114 0.000 0.874 653 R HN 0.569 nan 8.270 nan 0.000 0.451 654 A N 0.840 123.398 122.820 -0.436 0.000 1.823 654 A HA -0.114 4.206 4.320 -0.001 0.000 0.214 654 A C 1.544 178.917 177.584 -0.352 0.000 1.225 654 A CA 0.971 52.714 52.037 -0.490 0.000 0.604 654 A CB -0.841 17.574 19.000 -0.976 0.000 0.878 654 A HN 0.321 nan 8.150 nan 0.000 0.450 655 F N 2.017 121.784 119.950 -0.306 0.000 2.605 655 F HA -0.079 4.447 4.527 -0.002 0.000 0.296 655 F C 2.391 178.068 175.800 -0.205 0.000 1.146 655 F CA 0.531 58.382 58.000 -0.249 0.000 1.478 655 F CB -1.446 37.391 39.000 -0.272 0.000 1.107 655 F HN 0.086 nan 8.300 nan 0.000 0.600 656 S N -0.210 115.445 115.700 -0.075 0.000 2.382 656 S HA -0.193 4.276 4.470 -0.001 0.000 0.228 656 S C 1.400 175.968 174.600 -0.055 0.000 1.027 656 S CA 1.002 59.153 58.200 -0.081 0.000 0.991 656 S CB -0.538 62.612 63.200 -0.084 0.000 0.823 656 S HN 0.623 nan 8.310 nan 0.000 0.469 657 Q N 1.050 120.825 119.800 -0.041 0.000 3.181 657 Q HA 0.487 4.826 4.340 -0.001 0.000 0.293 657 Q C -0.668 175.319 176.000 -0.022 0.000 1.406 657 Q CA 0.159 55.945 55.803 -0.029 0.000 1.026 657 Q CB -0.546 28.177 28.738 -0.026 0.000 1.630 657 Q HN 0.424 nan 8.270 nan 0.000 0.553 658 I N 0.878 121.430 120.570 -0.030 0.000 2.827 658 I HA 0.129 4.298 4.170 -0.001 0.000 0.298 658 I C 0.401 176.494 176.117 -0.040 0.000 1.235 658 I CA -1.070 60.209 61.300 -0.034 0.000 1.021 658 I CB 2.352 40.330 38.000 -0.038 0.000 1.259 658 I HN 0.115 nan 8.210 nan 0.000 0.427 659 K N 2.230 122.608 120.400 -0.037 0.000 2.442 659 K HA -0.115 4.205 4.320 -0.001 0.000 0.200 659 K C -0.668 175.913 176.600 -0.031 0.000 1.045 659 K CA 1.656 57.925 56.287 -0.031 0.000 0.937 659 K CB -0.232 32.251 32.500 -0.029 0.000 0.757 659 K HN 0.562 nan 8.250 nan 0.000 0.474 660 D N -0.584 119.790 120.400 -0.044 0.000 2.863 660 D HA 0.329 4.968 4.640 -0.001 0.000 0.245 660 D C -1.494 174.768 176.300 -0.063 0.000 1.211 660 D CA -0.268 53.708 54.000 -0.039 0.000 0.888 660 D CB 1.719 42.499 40.800 -0.033 0.000 1.483 660 D HN 0.127 nan 8.370 nan 0.000 0.533 661 A N 2.827 125.622 122.820 -0.041 0.000 2.517 661 A HA 0.216 4.536 4.320 -0.001 0.000 0.284 661 A C 0.696 178.230 177.584 -0.083 0.000 1.195 661 A CA 0.431 52.426 52.037 -0.069 0.000 0.873 661 A CB -0.304 18.727 19.000 0.052 0.000 1.055 661 A HN 0.677 nan 8.150 nan 0.000 0.538 662 M N 2.973 122.401 119.600 -0.287 0.000 2.054 662 M HA 0.097 4.576 4.480 -0.001 0.000 0.386 662 M C -0.079 175.880 176.300 -0.569 0.000 0.824 662 M CA 0.495 55.660 55.300 -0.225 0.000 1.140 662 M CB -0.565 31.958 32.600 -0.128 0.000 2.218 662 M HN 0.240 nan 8.290 nan 0.000 0.752 663 V N 3.772 123.258 119.914 -0.713 0.000 2.747 663 V HA -0.149 3.970 4.120 -0.001 0.000 0.214 663 V C 0.575 176.210 176.094 -0.766 0.000 1.266 663 V CA 1.373 63.344 62.300 -0.549 0.000 1.369 663 V CB -2.600 28.945 31.823 -0.464 0.000 1.269 663 V HN 0.445 nan 8.190 nan 0.000 0.504 664 F N 0.346 120.456 119.950 0.267 0.000 1.981 664 F HA 0.707 5.233 4.527 -0.002 0.000 0.215 664 F C 1.182 177.148 175.800 0.277 0.000 1.260 664 F CA -0.010 58.150 58.000 0.266 0.000 1.284 664 F CB -0.305 38.876 39.000 0.302 0.000 1.898 664 F HN 0.302 nan 8.300 nan 0.000 0.175 665 A N 0.660 123.742 122.820 0.437 0.000 2.443 665 A HA 0.113 4.432 4.320 -0.001 0.000 0.686 665 A C -0.806 176.863 177.584 0.142 0.000 0.144 665 A CA 0.514 52.639 52.037 0.145 0.000 0.033 665 A CB -1.900 17.371 19.000 0.451 0.000 3.972 665 A HN 1.173 nan 8.150 nan 0.000 0.548 666 F N -1.947 118.213 119.950 0.350 0.000 3.410 666 F HA 0.772 5.298 4.527 -0.002 0.000 0.328 666 F C -0.545 175.363 175.800 0.180 0.000 1.099 666 F CA -0.577 57.531 58.000 0.180 0.000 0.841 666 F CB 0.190 39.295 39.000 0.174 0.000 1.527 666 F HN 0.850 nan 8.300 nan 0.000 0.478 667 N N 0.093 119.092 118.700 0.498 0.000 2.518 667 N HA 0.534 5.273 4.740 -0.001 0.000 0.284 667 N C -1.268 174.524 175.510 0.471 0.000 1.230 667 N CA -0.816 52.453 53.050 0.365 0.000 0.941 667 N CB 1.402 39.989 38.487 0.166 0.000 1.219 667 N HN 0.735 nan 8.380 nan 0.000 0.560 668 L N 2.208 123.627 121.223 0.327 0.000 2.385 668 L HA 0.292 4.632 4.340 -0.001 0.000 0.281 668 L C -1.851 175.121 176.870 0.171 0.000 1.106 668 L CA -1.501 53.506 54.840 0.279 0.000 0.856 668 L CB 0.096 42.286 42.059 0.219 0.000 1.186 668 L HN 0.338 nan 8.230 nan 0.000 0.453 669 P HA -0.111 nan 4.420 nan 0.000 0.257 669 P C 0.020 177.369 177.300 0.081 0.000 1.162 669 P CA 0.103 63.245 63.100 0.070 0.000 0.762 669 P CB 0.485 32.194 31.700 0.015 0.000 0.753 670 A N 5.712 128.577 122.820 0.075 0.000 2.520 670 A HA -0.019 4.300 4.320 -0.001 0.000 0.279 670 A C 0.628 178.209 177.584 -0.006 0.000 1.031 670 A CA 0.611 52.671 52.037 0.039 0.000 0.943 670 A CB -1.469 17.549 19.000 0.030 0.000 0.899 670 A HN 0.690 nan 8.150 nan 0.000 0.508 671 I N 1.214 121.749 120.570 -0.057 0.000 7.505 671 I HA -0.190 3.980 4.170 -0.001 0.000 0.126 671 I C 0.356 176.507 176.117 0.057 0.000 1.841 671 I CA -0.369 60.860 61.300 -0.119 0.000 2.037 671 I CB -1.119 36.696 38.000 -0.309 0.000 3.664 671 I HN 0.499 nan 8.210 nan 0.000 0.169 672 V N 7.056 127.053 119.914 0.139 0.000 2.742 672 V HA -0.158 3.961 4.120 -0.001 0.000 0.302 672 V C 1.443 177.612 176.094 0.124 0.000 1.133 672 V CA 1.858 64.255 62.300 0.161 0.000 1.284 672 V CB 0.483 32.436 31.823 0.216 0.000 0.850 672 V HN 1.156 nan 8.190 nan 0.000 0.494 673 E N 3.463 123.719 120.200 0.093 0.000 4.250 673 E HA -0.302 4.047 4.350 -0.001 0.000 0.325 673 E C 0.292 176.926 176.600 0.058 0.000 0.640 673 E CA 1.933 58.372 56.400 0.065 0.000 1.343 673 E CB -1.443 28.304 29.700 0.078 0.000 1.759 673 E HN 0.617 nan 8.360 nan 0.000 0.401 674 L N 1.109 122.377 121.223 0.075 0.000 2.923 674 L HA 0.599 4.938 4.340 -0.001 0.000 0.231 674 L C 0.814 177.735 176.870 0.086 0.000 1.300 674 L CA 0.796 55.681 54.840 0.075 0.000 1.184 674 L CB 0.260 42.389 42.059 0.116 0.000 1.511 674 L HN 0.384 nan 8.230 nan 0.000 0.448 675 G N -0.490 108.336 108.800 0.044 0.000 4.331 675 G HA2 0.121 4.080 3.960 -0.001 0.000 0.299 675 G HA3 0.121 4.080 3.960 -0.001 0.000 0.299 675 G C 0.346 175.245 174.900 -0.002 0.000 1.158 675 G CA 0.208 45.333 45.100 0.042 0.000 0.916 675 G HN 0.424 nan 8.290 nan 0.000 0.553 676 T N -1.878 112.660 114.554 -0.026 0.000 4.098 676 T HA 0.550 4.899 4.350 -0.001 0.000 0.291 676 T C 0.750 175.414 174.700 -0.060 0.000 1.440 676 T CA 0.139 62.216 62.100 -0.038 0.000 1.164 676 T CB 0.919 69.771 68.868 -0.027 0.000 1.313 676 T HN 0.526 nan 8.240 nan 0.000 0.951 677 A N 0.654 123.456 122.820 -0.030 0.000 2.474 677 A HA 0.391 4.710 4.320 -0.001 0.000 0.249 677 A C 0.893 178.484 177.584 0.013 0.000 0.891 677 A CA -0.602 51.426 52.037 -0.015 0.000 1.135 677 A CB 0.093 19.086 19.000 -0.011 0.000 1.191 677 A HN 0.466 nan 8.150 nan 0.000 0.471 678 T N 0.638 115.192 114.554 -0.000 0.000 3.240 678 T HA 0.521 4.870 4.350 -0.001 0.000 0.248 678 T C 1.050 175.750 174.700 0.000 0.000 0.929 678 T CA 0.888 62.985 62.100 -0.006 0.000 0.939 678 T CB -0.030 68.813 68.868 -0.041 0.000 1.114 678 T HN 1.659 nan 8.240 nan 0.000 0.558 679 G N 2.181 111.009 108.800 0.047 0.000 2.893 679 G HA2 0.040 4.000 3.960 -0.001 0.000 0.222 679 G HA3 0.040 4.000 3.960 -0.001 0.000 0.222 679 G C -0.870 174.172 174.900 0.237 0.000 1.345 679 G CA -0.223 44.957 45.100 0.134 0.000 1.129 679 G HN 0.670 nan 8.290 nan 0.000 0.560 680 F N -0.276 119.696 119.950 0.038 0.000 2.685 680 F HA 0.857 5.383 4.527 -0.002 0.000 0.315 680 F C -1.736 174.175 175.800 0.184 0.000 1.126 680 F CA -1.107 56.960 58.000 0.111 0.000 0.950 680 F CB 1.862 40.953 39.000 0.151 0.000 1.360 680 F HN 0.464 nan 8.300 nan 0.000 0.469 681 D N 1.190 121.820 120.400 0.383 0.000 2.593 681 D HA 0.360 4.999 4.640 -0.001 0.000 0.251 681 D C -2.067 174.489 176.300 0.427 0.000 1.140 681 D CA -0.049 54.067 54.000 0.193 0.000 0.855 681 D CB 1.957 42.823 40.800 0.109 0.000 1.267 681 D HN 0.522 nan 8.370 nan 0.000 0.532 682 F N 2.163 122.129 119.950 0.026 0.000 2.495 682 F HA 0.449 4.975 4.527 -0.001 0.000 0.327 682 F C -0.362 175.273 175.800 -0.275 0.000 1.103 682 F CA -0.703 57.186 58.000 -0.186 0.000 0.949 682 F CB 1.811 40.762 39.000 -0.081 0.000 1.142 682 F HN 0.131 nan 8.300 nan 0.000 0.457 683 E N 4.438 124.086 120.200 -0.921 0.000 2.210 683 E HA 0.405 4.754 4.350 -0.001 0.000 0.266 683 E C -1.989 174.248 176.600 -0.605 0.000 0.883 683 E CA -0.589 55.416 56.400 -0.658 0.000 0.761 683 E CB 1.450 30.612 29.700 -0.896 0.000 1.156 683 E HN 0.519 nan 8.360 nan 0.000 0.412 684 L N 6.231 127.313 121.223 -0.234 0.000 2.287 684 L HA 0.550 4.889 4.340 -0.001 0.000 0.287 684 L C -0.957 175.879 176.870 -0.056 0.000 1.022 684 L CA -0.440 54.353 54.840 -0.079 0.000 0.814 684 L CB 0.594 42.687 42.059 0.056 0.000 1.217 684 L HN 0.694 nan 8.230 nan 0.000 0.420 685 I N 3.416 123.960 120.570 -0.043 0.000 2.607 685 I HA 0.260 4.429 4.170 -0.001 0.000 0.305 685 I C -0.062 176.061 176.117 0.009 0.000 0.995 685 I CA -0.679 60.617 61.300 -0.006 0.000 1.148 685 I CB 1.960 39.956 38.000 -0.006 0.000 1.323 685 I HN 0.440 nan 8.210 nan 0.000 0.461 686 D N 3.522 123.935 120.400 0.021 0.000 2.781 686 D HA 0.095 4.735 4.640 -0.001 0.000 0.254 686 D C 0.686 176.995 176.300 0.015 0.000 1.213 686 D CA -0.199 53.814 54.000 0.022 0.000 0.994 686 D CB 0.552 41.372 40.800 0.034 0.000 1.019 686 D HN 0.403 nan 8.370 nan 0.000 0.514 687 Q N 0.425 120.228 119.800 0.005 0.000 2.561 687 Q HA 0.112 4.451 4.340 -0.001 0.000 0.217 687 Q C 0.119 176.120 176.000 0.002 0.000 0.980 687 Q CA 0.379 56.181 55.803 -0.001 0.000 0.927 687 Q CB 0.272 29.001 28.738 -0.015 0.000 0.980 687 Q HN 0.512 nan 8.270 nan 0.000 0.525 688 A N -2.209 120.616 122.820 0.008 0.000 2.470 688 A HA 0.679 4.999 4.320 -0.001 0.000 0.271 688 A C 0.989 178.581 177.584 0.013 0.000 1.269 688 A CA -0.241 51.802 52.037 0.009 0.000 0.828 688 A CB 0.206 19.211 19.000 0.009 0.000 1.374 688 A HN 0.154 nan 8.150 nan 0.000 0.454 689 G N -0.394 108.414 108.800 0.013 0.000 2.708 689 G HA2 0.214 4.173 3.960 -0.001 0.000 0.210 689 G HA3 0.214 4.173 3.960 -0.001 0.000 0.210 689 G C 0.693 175.605 174.900 0.021 0.000 1.141 689 G CA 0.403 45.512 45.100 0.016 0.000 0.788 689 G HN 0.563 nan 8.290 nan 0.000 0.531 690 L N -0.755 120.481 121.223 0.021 0.000 2.424 690 L HA 0.392 4.731 4.340 -0.001 0.000 0.274 690 L C 1.278 178.170 176.870 0.037 0.000 1.284 690 L CA 0.293 55.148 54.840 0.025 0.000 0.819 690 L CB -0.372 41.700 42.059 0.021 0.000 1.081 690 L HN 0.150 nan 8.230 nan 0.000 0.577 691 G N -2.542 106.285 108.800 0.044 0.000 3.166 691 G HA2 0.272 4.232 3.960 -0.001 0.000 0.267 691 G HA3 0.272 4.232 3.960 -0.001 0.000 0.267 691 G C -0.021 174.938 174.900 0.099 0.000 1.256 691 G CA -0.226 44.918 45.100 0.073 0.000 0.859 691 G HN 0.662 nan 8.290 nan 0.000 0.590 692 H N 0.126 119.210 119.070 0.024 0.000 2.462 692 H HA 0.019 4.574 4.556 -0.001 0.000 0.292 692 H C 2.363 177.703 175.328 0.020 0.000 1.049 692 H CA 2.145 58.208 56.048 0.025 0.000 1.334 692 H CB 0.356 30.138 29.762 0.033 0.000 1.404 692 H HN 0.383 nan 8.280 nan 0.000 0.544 693 E N 1.110 121.344 120.200 0.056 0.000 2.000 693 E HA -0.166 4.183 4.350 -0.001 0.000 0.199 693 E C 1.977 178.552 176.600 -0.043 0.000 1.011 693 E CA 1.078 57.479 56.400 0.001 0.000 0.836 693 E CB -0.298 29.422 29.700 0.032 0.000 0.778 693 E HN 0.393 nan 8.360 nan 0.000 0.462 694 K N 0.892 121.283 120.400 -0.015 0.000 2.148 694 K HA 0.019 4.338 4.320 -0.001 0.000 0.204 694 K C 2.441 179.023 176.600 -0.031 0.000 1.050 694 K CA 0.258 56.534 56.287 -0.018 0.000 0.942 694 K CB -0.630 31.871 32.500 0.001 0.000 0.724 694 K HN 0.146 nan 8.250 nan 0.000 0.446 695 L N 1.391 122.593 121.223 -0.035 0.000 1.970 695 L HA -0.256 4.083 4.340 -0.001 0.000 0.212 695 L C 2.739 179.567 176.870 -0.071 0.000 1.071 695 L CA 2.360 57.180 54.840 -0.034 0.000 0.751 695 L CB -0.725 41.328 42.059 -0.010 0.000 0.889 695 L HN 0.363 nan 8.230 nan 0.000 0.432 696 T N -3.555 110.901 114.554 -0.163 0.000 2.821 696 T HA -0.293 4.056 4.350 -0.001 0.000 0.267 696 T C 1.730 176.367 174.700 -0.104 0.000 1.046 696 T CA 1.305 63.305 62.100 -0.167 0.000 1.139 696 T CB -0.391 68.292 68.868 -0.308 0.000 0.871 696 T HN 0.382 nan 8.240 nan 0.000 0.454 697 Q N 0.653 120.395 119.800 -0.098 0.000 2.443 697 Q HA 0.021 4.360 4.340 -0.001 0.000 0.213 697 Q C 1.817 177.794 176.000 -0.039 0.000 0.982 697 Q CA 1.146 56.912 55.803 -0.062 0.000 0.894 697 Q CB -0.324 28.384 28.738 -0.050 0.000 0.947 697 Q HN 0.784 nan 8.270 nan 0.000 0.480 698 A N -0.462 122.339 122.820 -0.031 0.000 2.431 698 A HA 0.121 4.440 4.320 -0.001 0.000 0.239 698 A C 1.625 179.205 177.584 -0.007 0.000 1.230 698 A CA -0.382 51.648 52.037 -0.012 0.000 0.928 698 A CB 0.229 19.232 19.000 0.004 0.000 1.006 698 A HN 0.112 nan 8.150 nan 0.000 0.520 699 R N 0.464 120.952 120.500 -0.020 0.000 2.128 699 R HA -0.002 4.337 4.340 -0.001 0.000 0.211 699 R C 0.912 177.199 176.300 -0.021 0.000 1.067 699 R CA 1.361 57.455 56.100 -0.011 0.000 1.010 699 R CB -0.229 30.062 30.300 -0.016 0.000 0.922 699 R HN 0.489 nan 8.270 nan 0.000 0.457 700 N N 1.244 119.925 118.700 -0.031 0.000 2.142 700 N HA -0.195 4.544 4.740 -0.001 0.000 0.186 700 N C 1.682 177.174 175.510 -0.030 0.000 1.023 700 N CA 1.357 54.388 53.050 -0.031 0.000 0.852 700 N CB -0.282 38.183 38.487 -0.037 0.000 0.998 700 N HN 0.325 nan 8.380 nan 0.000 0.424 701 Q N -0.082 119.700 119.800 -0.029 0.000 2.226 701 Q HA -0.100 4.239 4.340 -0.001 0.000 0.204 701 Q C 1.672 177.651 176.000 -0.034 0.000 0.975 701 Q CA 0.925 56.711 55.803 -0.030 0.000 0.866 701 Q CB 0.001 28.725 28.738 -0.023 0.000 0.915 701 Q HN 0.336 nan 8.270 nan 0.000 0.440 702 L N -0.147 121.057 121.223 -0.032 0.000 2.145 702 L HA 0.014 4.353 4.340 -0.001 0.000 0.201 702 L C 1.901 178.738 176.870 -0.056 0.000 1.075 702 L CA 1.210 56.020 54.840 -0.049 0.000 0.773 702 L CB -0.349 41.680 42.059 -0.051 0.000 0.936 702 L HN 0.270 nan 8.230 nan 0.000 0.451 703 L N -0.294 120.905 121.223 -0.040 0.000 2.349 703 L HA -0.199 4.140 4.340 -0.001 0.000 0.220 703 L C 2.388 179.241 176.870 -0.029 0.000 1.130 703 L CA 0.967 55.790 54.840 -0.028 0.000 0.791 703 L CB -0.880 41.169 42.059 -0.016 0.000 0.918 703 L HN 0.453 nan 8.230 nan 0.000 0.444 704 A N 0.013 122.808 122.820 -0.041 0.000 1.831 704 A HA -0.122 4.197 4.320 -0.001 0.000 0.213 704 A C 1.990 179.524 177.584 -0.083 0.000 1.223 704 A CA 0.784 52.790 52.037 -0.052 0.000 0.604 704 A CB -0.393 18.575 19.000 -0.053 0.000 0.878 704 A HN 0.307 nan 8.150 nan 0.000 0.450 705 E N 0.549 120.689 120.200 -0.100 0.000 2.253 705 E HA -0.249 4.100 4.350 -0.001 0.000 0.202 705 E C 1.891 178.380 176.600 -0.184 0.000 1.014 705 E CA 1.558 57.858 56.400 -0.165 0.000 0.823 705 E CB -0.742 28.895 29.700 -0.104 0.000 0.736 705 E HN 0.610 nan 8.360 nan 0.000 0.478 706 A N 0.535 123.333 122.820 -0.037 0.000 2.044 706 A HA 0.352 4.671 4.320 -0.001 0.000 0.213 706 A C 2.295 179.941 177.584 0.103 0.000 1.169 706 A CA 0.933 53.028 52.037 0.096 0.000 0.724 706 A CB -0.048 18.975 19.000 0.038 0.000 0.840 706 A HN 0.241 nan 8.150 nan 0.000 0.463 707 A N 1.337 124.169 122.820 0.020 0.000 2.014 707 A HA -0.069 4.250 4.320 -0.001 0.000 0.218 707 A C 2.043 179.633 177.584 0.010 0.000 1.163 707 A CA 1.601 53.651 52.037 0.022 0.000 0.652 707 A CB -0.423 18.577 19.000 0.001 0.000 0.808 707 A HN 0.669 nan 8.150 nan 0.000 0.449 708 K N 0.617 120.981 120.400 -0.060 0.000 2.057 708 K HA -0.179 4.140 4.320 -0.001 0.000 0.207 708 K C 0.644 177.235 176.600 -0.016 0.000 1.049 708 K CA 1.509 57.737 56.287 -0.098 0.000 0.931 708 K CB -0.592 31.774 32.500 -0.224 0.000 0.714 708 K HN 0.810 nan 8.250 nan 0.000 0.440 709 H N -0.685 118.373 119.070 -0.019 0.000 2.632 709 H HA 0.338 4.893 4.556 -0.001 0.000 0.258 709 H C -2.558 172.759 175.328 -0.018 0.000 1.278 709 H CA -2.709 53.328 56.048 -0.019 0.000 1.352 709 H CB 1.122 30.869 29.762 -0.024 0.000 1.418 709 H HN 0.039 nan 8.280 nan 0.000 0.513 710 P HA -0.014 nan 4.420 nan 0.000 0.271 710 P C 0.275 177.584 177.300 0.014 0.000 1.535 710 P CA 0.325 63.458 63.100 0.055 0.000 0.820 710 P CB 0.178 31.905 31.700 0.045 0.000 1.606 711 D N -0.727 119.664 120.400 -0.014 0.000 2.216 711 D HA 0.095 4.734 4.640 -0.001 0.000 0.208 711 D C 1.256 177.508 176.300 -0.080 0.000 0.960 711 D CA 1.217 55.190 54.000 -0.045 0.000 0.861 711 D CB 0.184 40.954 40.800 -0.051 0.000 0.985 711 D HN 0.298 nan 8.370 nan 0.000 0.493 712 M N 0.229 119.746 119.600 -0.138 0.000 2.504 712 M HA 0.288 4.767 4.480 -0.001 0.000 0.370 712 M C -0.749 175.471 176.300 -0.133 0.000 1.110 712 M CA 0.135 55.347 55.300 -0.146 0.000 0.938 712 M CB 1.660 34.140 32.600 -0.199 0.000 1.460 712 M HN -0.219 nan 8.290 nan 0.000 0.535 713 L N 0.130 121.306 121.223 -0.078 0.000 2.676 713 L HA 0.460 4.799 4.340 -0.001 0.000 0.262 713 L C -1.152 175.743 176.870 0.042 0.000 0.932 713 L CA -0.427 54.401 54.840 -0.020 0.000 0.932 713 L CB 2.393 44.435 42.059 -0.029 0.000 1.355 713 L HN -0.029 nan 8.230 nan 0.000 0.421 714 T N -0.385 114.217 114.554 0.079 0.000 2.861 714 T HA 0.394 4.744 4.350 -0.001 0.000 0.287 714 T C 0.237 174.991 174.700 0.089 0.000 1.003 714 T CA -0.531 61.613 62.100 0.073 0.000 0.977 714 T CB 1.819 70.718 68.868 0.052 0.000 0.996 714 T HN 0.669 nan 8.240 nan 0.000 0.448 715 S N 1.305 117.043 115.700 0.064 0.000 3.787 715 S HA -0.161 4.308 4.470 -0.001 0.000 0.321 715 S C 0.215 174.834 174.600 0.032 0.000 1.119 715 S CA 0.378 58.603 58.200 0.042 0.000 0.918 715 S CB -1.926 61.289 63.200 0.024 0.000 0.913 715 S HN 1.479 nan 8.310 nan 0.000 0.506 716 V N 1.764 121.714 119.914 0.060 0.000 2.415 716 V HA 0.782 4.901 4.120 -0.001 0.000 0.267 716 V C 0.414 176.517 176.094 0.015 0.000 1.042 716 V CA -0.068 62.265 62.300 0.056 0.000 1.000 716 V CB 0.535 32.418 31.823 0.101 0.000 1.015 716 V HN 0.665 nan 8.190 nan 0.000 0.478 717 R N 5.202 125.691 120.500 -0.017 0.000 2.885 717 R HA 0.790 5.129 4.340 -0.001 0.000 0.260 717 R C -3.139 173.148 176.300 -0.021 0.000 1.107 717 R CA -1.883 54.209 56.100 -0.013 0.000 0.978 717 R CB 1.258 31.552 30.300 -0.010 0.000 1.227 717 R HN 0.449 nan 8.270 nan 0.000 0.473 718 P HA 0.381 nan 4.420 nan 0.000 0.344 718 P C -1.139 176.157 177.300 -0.006 0.000 1.282 718 P CA -0.740 62.358 63.100 -0.002 0.000 0.769 718 P CB 1.254 32.959 31.700 0.009 0.000 1.561 719 N N -1.565 117.139 118.700 0.007 0.000 2.617 719 N HA 0.341 5.081 4.740 -0.001 0.000 0.263 719 N C 0.502 176.033 175.510 0.035 0.000 1.074 719 N CA -0.341 52.716 53.050 0.012 0.000 0.841 719 N CB 0.274 38.762 38.487 0.002 0.000 1.221 719 N HN 0.656 nan 8.380 nan 0.000 0.529 720 G N 1.858 110.684 108.800 0.042 0.000 2.429 720 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.314 720 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.314 720 G C 1.010 175.949 174.900 0.065 0.000 0.957 720 G CA 0.687 45.821 45.100 0.056 0.000 0.806 720 G HN 0.546 nan 8.290 nan 0.000 0.511 721 L N -0.848 120.415 121.223 0.068 0.000 2.083 721 L HA 0.035 4.374 4.340 -0.001 0.000 0.209 721 L C 1.993 178.924 176.870 0.102 0.000 1.083 721 L CA 2.505 57.401 54.840 0.094 0.000 0.752 721 L CB -0.110 42.009 42.059 0.101 0.000 0.899 721 L HN 0.508 nan 8.230 nan 0.000 0.433 722 E N -0.260 119.987 120.200 0.079 0.000 3.289 722 E HA -0.384 3.965 4.350 -0.001 0.000 0.386 722 E C 0.540 177.198 176.600 0.097 0.000 1.526 722 E CA 1.545 57.993 56.400 0.080 0.000 1.519 722 E CB -1.201 28.552 29.700 0.090 0.000 1.657 722 E HN 0.542 nan 8.360 nan 0.000 0.479 723 D N -1.055 119.423 120.400 0.131 0.000 4.437 723 D HA -0.071 4.568 4.640 -0.001 0.000 0.097 723 D C -0.130 176.332 176.300 0.270 0.000 0.398 723 D CA 0.757 54.862 54.000 0.175 0.000 0.575 723 D CB -0.672 40.185 40.800 0.095 0.000 1.641 723 D HN 0.381 nan 8.370 nan 0.000 0.033 724 T N 1.139 115.840 114.554 0.245 0.000 2.769 724 T HA 0.040 4.389 4.350 -0.001 0.000 0.353 724 T C -2.283 172.639 174.700 0.370 0.000 1.081 724 T CA 0.113 62.390 62.100 0.294 0.000 1.118 724 T CB 0.795 69.781 68.868 0.196 0.000 1.042 724 T HN -0.144 nan 8.240 nan 0.000 0.541 725 P HA 0.291 nan 4.420 nan 0.000 0.274 725 P C -0.926 176.508 177.300 0.224 0.000 1.260 725 P CA -0.169 62.998 63.100 0.111 0.000 0.793 725 P CB 0.330 32.144 31.700 0.189 0.000 1.048 726 Q N -0.613 119.267 119.800 0.134 0.000 2.320 726 Q HA 0.389 4.728 4.340 -0.001 0.000 0.272 726 Q C -1.552 174.187 176.000 -0.434 0.000 1.023 726 Q CA -0.588 55.176 55.803 -0.065 0.000 0.855 726 Q CB 1.686 30.394 28.738 -0.051 0.000 1.367 726 Q HN 0.281 nan 8.270 nan 0.000 0.406 727 F N 3.117 122.540 119.950 -0.878 0.000 2.413 727 F HA 0.282 4.808 4.527 -0.002 0.000 0.359 727 F C -0.277 175.157 175.800 -0.610 0.000 1.122 727 F CA -0.275 57.028 58.000 -1.162 0.000 1.160 727 F CB 0.518 38.879 39.000 -1.065 0.000 1.146 727 F HN 0.120 nan 8.300 nan 0.000 0.514 728 K N 8.308 128.211 120.400 -0.828 0.000 2.253 728 K HA 0.385 4.704 4.320 -0.001 0.000 0.277 728 K C -0.800 175.360 176.600 -0.733 0.000 1.053 728 K CA -0.298 55.641 56.287 -0.580 0.000 0.892 728 K CB 0.564 32.845 32.500 -0.366 0.000 1.102 728 K HN 0.711 nan 8.250 nan 0.000 0.469 729 I N 2.634 122.872 120.570 -0.554 0.000 2.392 729 I HA 0.175 4.344 4.170 -0.001 0.000 0.295 729 I C 0.111 176.092 176.117 -0.227 0.000 0.985 729 I CA -0.487 60.549 61.300 -0.441 0.000 1.221 729 I CB 1.607 39.417 38.000 -0.316 0.000 1.366 729 I HN 0.452 nan 8.210 nan 0.000 0.467 730 D N 7.562 127.871 120.400 -0.152 0.000 2.469 730 D HA 0.233 4.872 4.640 -0.001 0.000 0.251 730 D C -0.536 175.758 176.300 -0.011 0.000 1.173 730 D CA -0.492 53.460 54.000 -0.079 0.000 0.882 730 D CB 1.330 42.079 40.800 -0.085 0.000 1.129 730 D HN 0.130 nan 8.370 nan 0.000 0.549 731 I N 2.671 123.248 120.570 0.012 0.000 2.588 731 I HA 0.018 4.187 4.170 -0.001 0.000 0.283 731 I C 0.904 177.030 176.117 0.016 0.000 1.119 731 I CA 0.058 61.385 61.300 0.046 0.000 1.419 731 I CB 0.541 38.531 38.000 -0.017 0.000 1.394 731 I HN 0.423 nan 8.210 nan 0.000 0.562 732 D N 5.781 126.209 120.400 0.047 0.000 3.110 732 D HA 0.064 4.703 4.640 -0.001 0.000 0.254 732 D C 1.279 177.573 176.300 -0.010 0.000 1.283 732 D CA -0.230 53.783 54.000 0.023 0.000 0.944 732 D CB 0.373 41.203 40.800 0.049 0.000 1.066 732 D HN 0.288 nan 8.370 nan 0.000 0.496 733 Q N 0.875 120.647 119.800 -0.047 0.000 2.473 733 Q HA -0.392 3.947 4.340 -0.001 0.000 0.238 733 Q C 1.763 177.723 176.000 -0.068 0.000 1.088 733 Q CA 2.687 58.444 55.803 -0.076 0.000 0.989 733 Q CB -1.035 27.671 28.738 -0.054 0.000 0.972 733 Q HN 0.801 nan 8.270 nan 0.000 0.543 734 E N 0.653 120.830 120.200 -0.038 0.000 2.049 734 E HA -0.225 4.124 4.350 -0.001 0.000 0.198 734 E C 1.913 178.503 176.600 -0.016 0.000 1.007 734 E CA 1.636 58.020 56.400 -0.027 0.000 0.809 734 E CB -0.448 29.244 29.700 -0.014 0.000 0.749 734 E HN 0.375 nan 8.360 nan 0.000 0.450 735 K N 0.565 120.968 120.400 0.005 0.000 2.520 735 K HA -0.153 4.166 4.320 -0.001 0.000 0.197 735 K C 1.593 178.222 176.600 0.049 0.000 1.044 735 K CA 1.021 57.329 56.287 0.035 0.000 0.938 735 K CB -0.034 32.502 32.500 0.059 0.000 0.767 735 K HN 0.321 nan 8.250 nan 0.000 0.481 736 A N -0.275 122.534 122.820 -0.018 0.000 1.988 736 A HA -0.033 4.286 4.320 -0.001 0.000 0.201 736 A C 1.838 179.354 177.584 -0.113 0.000 1.410 736 A CA 0.219 52.193 52.037 -0.104 0.000 0.832 736 A CB -0.295 18.479 19.000 -0.376 0.000 0.981 736 A HN 0.362 nan 8.150 nan 0.000 0.492 737 Q N 0.218 119.954 119.800 -0.106 0.000 2.152 737 Q HA -0.183 4.156 4.340 -0.001 0.000 0.206 737 Q C 1.955 177.928 176.000 -0.045 0.000 0.985 737 Q CA 1.973 57.727 55.803 -0.080 0.000 0.863 737 Q CB -0.298 28.402 28.738 -0.064 0.000 0.904 737 Q HN 0.590 nan 8.270 nan 0.000 0.422 738 A N 0.451 123.254 122.820 -0.027 0.000 1.968 738 A HA -0.056 4.263 4.320 -0.001 0.000 0.217 738 A C 1.915 179.501 177.584 0.004 0.000 1.169 738 A CA 0.705 52.737 52.037 -0.008 0.000 0.638 738 A CB -0.403 18.599 19.000 0.002 0.000 0.812 738 A HN 0.466 nan 8.150 nan 0.000 0.446 739 L N -1.048 120.181 121.223 0.010 0.000 2.551 739 L HA 0.078 4.417 4.340 -0.001 0.000 0.228 739 L C 1.506 178.390 176.870 0.025 0.000 1.153 739 L CA 0.653 55.515 54.840 0.036 0.000 0.851 739 L CB -0.220 41.893 42.059 0.088 0.000 0.959 739 L HN 0.620 nan 8.230 nan 0.000 0.451 740 G N 0.176 108.974 108.800 -0.003 0.000 2.165 740 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.226 740 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.226 740 G C -0.272 174.617 174.900 -0.017 0.000 1.035 740 G CA -0.060 45.037 45.100 -0.005 0.000 0.744 740 G HN 0.094 nan 8.290 nan 0.000 0.501 741 V N 1.153 121.031 119.914 -0.060 0.000 2.531 741 V HA 0.684 4.804 4.120 -0.001 0.000 0.301 741 V C 0.766 176.772 176.094 -0.147 0.000 1.034 741 V CA -0.350 61.889 62.300 -0.101 0.000 0.865 741 V CB 1.876 33.599 31.823 -0.167 0.000 0.995 741 V HN 1.002 nan 8.190 nan 0.000 0.424 742 S N 4.071 119.708 115.700 -0.105 0.000 2.549 742 S HA 0.291 4.760 4.470 -0.001 0.000 0.283 742 S C 0.899 175.413 174.600 -0.143 0.000 1.320 742 S CA -0.461 57.679 58.200 -0.100 0.000 1.058 742 S CB 0.620 63.787 63.200 -0.055 0.000 0.882 742 S HN 0.487 nan 8.310 nan 0.000 0.498 743 I N 2.151 122.639 120.570 -0.135 0.000 2.850 743 I HA -0.103 4.066 4.170 -0.001 0.000 0.266 743 I C 1.840 177.900 176.117 -0.095 0.000 1.257 743 I CA 0.994 62.206 61.300 -0.147 0.000 1.465 743 I CB -1.171 36.765 38.000 -0.107 0.000 1.091 743 I HN 0.605 nan 8.210 nan 0.000 0.467 744 N N 0.504 119.166 118.700 -0.063 0.000 2.182 744 N HA -0.111 4.628 4.740 -0.001 0.000 0.186 744 N C 1.492 176.997 175.510 -0.008 0.000 1.036 744 N CA 0.978 54.013 53.050 -0.026 0.000 0.850 744 N CB -0.165 38.314 38.487 -0.013 0.000 1.010 744 N HN 0.159 nan 8.380 nan 0.000 0.432 745 D N 0.471 120.865 120.400 -0.011 0.000 2.228 745 D HA -0.113 4.526 4.640 -0.001 0.000 0.203 745 D C 1.785 178.113 176.300 0.046 0.000 0.988 745 D CA 0.635 54.651 54.000 0.026 0.000 0.864 745 D CB -0.144 40.671 40.800 0.026 0.000 0.928 745 D HN 0.332 nan 8.370 nan 0.000 0.469 746 I N 0.745 121.297 120.570 -0.031 0.000 2.133 746 I HA -0.258 3.911 4.170 -0.001 0.000 0.238 746 I C 2.126 178.315 176.117 0.119 0.000 1.074 746 I CA 0.790 62.069 61.300 -0.036 0.000 1.342 746 I CB -0.244 37.589 38.000 -0.278 0.000 1.053 746 I HN -0.031 nan 8.210 nan 0.000 0.404 747 N N 0.621 119.355 118.700 0.057 0.000 2.025 747 N HA -0.212 4.527 4.740 -0.001 0.000 0.194 747 N C 1.997 177.563 175.510 0.094 0.000 1.044 747 N CA 2.350 55.448 53.050 0.080 0.000 0.851 747 N CB -1.033 37.475 38.487 0.036 0.000 1.036 747 N HN 0.414 nan 8.380 nan 0.000 0.422 748 T N -0.545 114.054 114.554 0.075 0.000 2.822 748 T HA -0.141 4.209 4.350 -0.001 0.000 0.270 748 T C 1.834 176.589 174.700 0.092 0.000 1.064 748 T CA 1.992 64.135 62.100 0.072 0.000 1.131 748 T CB -0.515 68.389 68.868 0.059 0.000 0.858 748 T HN 0.146 nan 8.240 nan 0.000 0.483 749 T N 1.498 116.140 114.554 0.146 0.000 2.812 749 T HA 0.119 4.469 4.350 -0.001 0.000 0.264 749 T C 1.727 176.493 174.700 0.111 0.000 1.042 749 T CA 1.166 63.375 62.100 0.182 0.000 1.140 749 T CB -0.405 68.669 68.868 0.343 0.000 0.870 749 T HN 0.326 nan 8.240 nan 0.000 0.445 750 L N 1.231 122.573 121.223 0.199 0.000 2.093 750 L HA 0.186 4.525 4.340 -0.001 0.000 0.208 750 L C 2.347 179.238 176.870 0.035 0.000 1.085 750 L CA 1.856 56.725 54.840 0.049 0.000 0.755 750 L CB -1.020 41.109 42.059 0.116 0.000 0.904 750 L HN 0.254 nan 8.230 nan 0.000 0.435 751 G N -1.185 107.641 108.800 0.043 0.000 2.404 751 G HA2 -0.116 3.843 3.960 -0.001 0.000 0.213 751 G HA3 -0.116 3.843 3.960 -0.001 0.000 0.213 751 G C 1.609 176.532 174.900 0.038 0.000 1.189 751 G CA 0.597 45.717 45.100 0.033 0.000 0.796 751 G HN 0.586 nan 8.290 nan 0.000 0.532 752 A N 1.268 124.104 122.820 0.027 0.000 1.917 752 A HA 0.129 4.448 4.320 -0.001 0.000 0.219 752 A C 2.775 180.333 177.584 -0.045 0.000 1.182 752 A CA 2.601 54.648 52.037 0.016 0.000 0.633 752 A CB -0.803 18.213 19.000 0.026 0.000 0.819 752 A HN 0.798 nan 8.150 nan 0.000 0.448 753 A N -1.859 120.856 122.820 -0.175 0.000 1.872 753 A HA -0.022 4.297 4.320 -0.001 0.000 0.214 753 A C 1.819 179.166 177.584 -0.395 0.000 1.187 753 A CA 1.421 53.175 52.037 -0.472 0.000 0.614 753 A CB -0.657 17.548 19.000 -1.325 0.000 0.826 753 A HN 0.744 nan 8.150 nan 0.000 0.442 754 W N -1.406 119.730 121.300 -0.273 0.000 3.013 754 W HA 0.373 5.032 4.660 -0.001 0.000 0.280 754 W C 2.106 178.585 176.519 -0.066 0.000 1.249 754 W CA 0.312 57.567 57.345 -0.150 0.000 1.577 754 W CB -0.212 29.139 29.460 -0.181 0.000 1.057 754 W HN 0.317 nan 8.180 nan 0.000 0.613 755 G N -0.506 108.381 108.800 0.145 0.000 2.724 755 G HA2 0.457 4.416 3.960 -0.001 0.000 0.205 755 G HA3 0.457 4.416 3.960 -0.001 0.000 0.205 755 G C 0.618 175.576 174.900 0.096 0.000 1.112 755 G CA 0.468 45.626 45.100 0.097 0.000 0.793 755 G HN 0.365 nan 8.290 nan 0.000 0.526 756 G N -1.235 107.623 108.800 0.097 0.000 2.587 756 G HA2 0.332 4.291 3.960 -0.001 0.000 0.686 756 G HA3 0.332 4.291 3.960 -0.001 0.000 0.686 756 G C -0.710 174.299 174.900 0.182 0.000 1.236 756 G CA 0.072 45.255 45.100 0.139 0.000 0.820 756 G HN 1.040 nan 8.290 nan 0.000 0.645 757 S N -0.328 115.511 115.700 0.232 0.000 2.736 757 S HA 0.522 4.991 4.470 -0.001 0.000 0.285 757 S C -0.765 173.931 174.600 0.160 0.000 1.163 757 S CA -0.529 57.779 58.200 0.180 0.000 1.025 757 S CB 0.803 64.054 63.200 0.086 0.000 1.030 757 S HN 1.628 nan 8.310 nan 0.000 0.486 758 Y N 7.027 127.289 120.300 -0.064 0.000 2.624 758 Y HA 0.353 4.902 4.550 -0.001 0.000 0.354 758 Y C 0.673 176.442 175.900 -0.218 0.000 1.051 758 Y CA -0.183 57.662 58.100 -0.425 0.000 1.377 758 Y CB -0.398 37.842 38.460 -0.366 0.000 1.168 758 Y HN 0.449 nan 8.280 nan 0.000 0.525 759 V N 4.819 124.541 119.914 -0.321 0.000 2.278 759 V HA -0.084 4.036 4.120 -0.001 0.000 0.231 759 V C 1.126 176.983 176.094 -0.395 0.000 1.048 759 V CA 1.218 63.343 62.300 -0.291 0.000 1.015 759 V CB -0.491 31.266 31.823 -0.110 0.000 0.652 759 V HN 0.729 nan 8.190 nan 0.000 0.466 760 N N -1.075 117.494 118.700 -0.218 0.000 3.002 760 N HA 0.290 5.029 4.740 -0.001 0.000 0.331 760 N C -1.612 173.922 175.510 0.040 0.000 1.384 760 N CA -0.412 52.577 53.050 -0.103 0.000 0.780 760 N CB 2.176 40.685 38.487 0.037 0.000 1.492 760 N HN 0.235 nan 8.380 nan 0.000 0.608 761 D N -0.875 119.613 120.400 0.146 0.000 2.450 761 D HA 0.606 5.246 4.640 -0.001 0.000 0.238 761 D C -1.094 175.425 176.300 0.364 0.000 1.020 761 D CA -0.033 54.118 54.000 0.253 0.000 1.010 761 D CB 1.632 42.523 40.800 0.150 0.000 1.342 761 D HN 0.426 nan 8.370 nan 0.000 0.530 762 F N -1.197 118.835 119.950 0.136 0.000 2.703 762 F HA 0.587 5.113 4.527 -0.001 0.000 0.308 762 F C -2.003 173.867 175.800 0.117 0.000 1.126 762 F CA -1.164 56.935 58.000 0.164 0.000 0.959 762 F CB 0.544 39.732 39.000 0.313 0.000 1.297 762 F HN 0.044 nan 8.300 nan 0.000 0.441 763 I N 2.446 122.968 120.570 -0.080 0.000 2.315 763 I HA 0.287 4.456 4.170 -0.001 0.000 0.291 763 I C -0.765 175.239 176.117 -0.188 0.000 1.006 763 I CA -0.002 61.160 61.300 -0.230 0.000 1.265 763 I CB 1.089 39.059 38.000 -0.050 0.000 1.387 763 I HN 0.611 nan 8.210 nan 0.000 0.475 764 D N 6.640 126.815 120.400 -0.375 0.000 2.462 764 D HA 0.390 5.029 4.640 -0.001 0.000 0.249 764 D C -0.140 176.157 176.300 -0.005 0.000 1.117 764 D CA -0.424 53.548 54.000 -0.046 0.000 0.900 764 D CB 0.211 41.002 40.800 -0.014 0.000 1.039 764 D HN 0.416 nan 8.370 nan 0.000 0.516 765 R N 3.031 123.555 120.500 0.040 0.000 3.246 765 R HA -0.107 4.232 4.340 -0.001 0.000 0.260 765 R C 0.692 176.993 176.300 0.001 0.000 1.034 765 R CA 0.484 56.606 56.100 0.037 0.000 0.691 765 R CB -1.789 28.547 30.300 0.061 0.000 1.186 765 R HN 0.891 nan 8.270 nan 0.000 0.416 766 G N 0.627 109.420 108.800 -0.013 0.000 2.323 766 G HA2 -0.355 3.604 3.960 -0.001 0.000 0.292 766 G HA3 -0.355 3.604 3.960 -0.001 0.000 0.292 766 G C -0.145 174.723 174.900 -0.054 0.000 1.040 766 G CA 0.902 45.985 45.100 -0.029 0.000 0.942 766 G HN 0.604 nan 8.290 nan 0.000 0.506 767 R N -0.940 119.506 120.500 -0.090 0.000 2.515 767 R HA 0.567 4.906 4.340 -0.001 0.000 0.278 767 R C -0.609 175.576 176.300 -0.192 0.000 1.107 767 R CA -0.356 55.675 56.100 -0.114 0.000 0.945 767 R CB 1.578 31.818 30.300 -0.099 0.000 1.219 767 R HN 0.729 nan 8.270 nan 0.000 0.434 768 V N 4.585 124.403 119.914 -0.160 0.000 2.614 768 V HA 0.516 4.635 4.120 -0.001 0.000 0.291 768 V C -0.696 175.268 176.094 -0.217 0.000 1.049 768 V CA 0.431 62.614 62.300 -0.195 0.000 1.038 768 V CB 0.802 32.572 31.823 -0.090 0.000 0.980 768 V HN 0.867 nan 8.190 nan 0.000 0.481 769 K N 4.363 124.563 120.400 -0.333 0.000 2.469 769 K HA 0.577 4.897 4.320 -0.001 0.000 0.268 769 K C -1.286 175.359 176.600 0.075 0.000 1.027 769 K CA -1.079 55.104 56.287 -0.173 0.000 0.893 769 K CB 2.261 34.613 32.500 -0.247 0.000 1.460 769 K HN 0.576 nan 8.250 nan 0.000 0.449 770 K N 0.642 121.184 120.400 0.236 0.000 2.106 770 K HA 0.501 4.820 4.320 -0.001 0.000 0.246 770 K C -0.765 176.049 176.600 0.356 0.000 0.987 770 K CA -0.865 55.607 56.287 0.308 0.000 0.904 770 K CB 1.460 33.956 32.500 -0.007 0.000 1.071 770 K HN 0.113 nan 8.250 nan 0.000 0.453 771 V N 2.502 122.537 119.914 0.201 0.000 2.384 771 V HA 0.295 4.414 4.120 -0.001 0.000 0.287 771 V C -1.225 174.831 176.094 -0.063 0.000 1.020 771 V CA -0.806 61.493 62.300 -0.001 0.000 0.850 771 V CB 0.277 32.099 31.823 -0.001 0.000 0.987 771 V HN 0.572 nan 8.190 nan 0.000 0.436 772 Y N 2.712 122.970 120.300 -0.070 0.000 2.429 772 Y HA 0.680 5.229 4.550 -0.001 0.000 0.342 772 Y C -0.030 175.742 175.900 -0.212 0.000 1.004 772 Y CA -0.795 57.260 58.100 -0.075 0.000 1.075 772 Y CB 2.358 40.773 38.460 -0.076 0.000 1.214 772 Y HN 0.356 nan 8.280 nan 0.000 0.455 773 V N 4.958 124.891 119.914 0.032 0.000 2.444 773 V HA 0.324 4.444 4.120 -0.001 0.000 0.294 773 V C -0.028 176.044 176.094 -0.036 0.000 1.022 773 V CA -0.256 62.009 62.300 -0.058 0.000 0.850 773 V CB 1.633 33.451 31.823 -0.009 0.000 0.992 773 V HN 1.031 nan 8.190 nan 0.000 0.426 774 M N 3.637 123.178 119.600 -0.098 0.000 2.054 774 M HA 0.218 4.697 4.480 -0.001 0.000 0.386 774 M C -0.005 176.371 176.300 0.127 0.000 0.824 774 M CA 0.784 56.093 55.300 0.015 0.000 1.140 774 M CB 0.846 33.476 32.600 0.051 0.000 2.218 774 M HN 0.907 nan 8.290 nan 0.000 0.752 775 S N 1.463 117.300 115.700 0.228 0.000 3.092 775 S HA -0.110 4.360 4.470 -0.001 0.000 0.857 775 S C -0.614 174.258 174.600 0.453 0.000 1.014 775 S CA 0.169 58.574 58.200 0.342 0.000 1.283 775 S CB -0.765 62.639 63.200 0.340 0.000 0.910 775 S HN 0.590 nan 8.310 nan 0.000 0.245 776 E N 2.611 123.056 120.200 0.407 0.000 2.485 776 E HA 0.212 4.561 4.350 -0.001 0.000 0.266 776 E C 1.791 178.437 176.600 0.076 0.000 1.090 776 E CA 0.436 56.969 56.400 0.221 0.000 0.987 776 E CB 0.118 29.984 29.700 0.277 0.000 0.974 776 E HN 0.970 nan 8.360 nan 0.000 0.455 777 A N 3.296 126.017 122.820 -0.164 0.000 1.855 777 A HA -0.242 4.077 4.320 -0.001 0.000 0.215 777 A C 1.917 179.412 177.584 -0.150 0.000 1.191 777 A CA 2.089 54.009 52.037 -0.195 0.000 0.613 777 A CB -0.504 18.323 19.000 -0.289 0.000 0.829 777 A HN 0.744 nan 8.150 nan 0.000 0.442 778 K N -1.318 118.966 120.400 -0.194 0.000 2.173 778 K HA -0.211 4.109 4.320 -0.001 0.000 0.207 778 K C 0.763 177.163 176.600 -0.333 0.000 1.046 778 K CA 1.943 58.046 56.287 -0.306 0.000 0.929 778 K CB -0.615 31.607 32.500 -0.463 0.000 0.720 778 K HN 0.545 nan 8.250 nan 0.000 0.453 779 Y N 1.790 122.023 120.300 -0.112 0.000 2.596 779 Y HA 0.211 4.760 4.550 -0.001 0.000 0.316 779 Y C 0.281 176.059 175.900 -0.203 0.000 1.156 779 Y CA -0.412 57.625 58.100 -0.105 0.000 1.300 779 Y CB 0.192 38.590 38.460 -0.103 0.000 1.130 779 Y HN 0.181 nan 8.280 nan 0.000 0.518 780 R N -1.728 118.638 120.500 -0.224 0.000 2.416 780 R HA 0.193 4.532 4.340 -0.001 0.000 0.247 780 R C -0.603 175.618 176.300 -0.132 0.000 1.178 780 R CA -0.020 55.679 56.100 -0.667 0.000 1.278 780 R CB -0.695 28.897 30.300 -1.179 0.000 1.386 780 R HN 0.124 nan 8.270 nan 0.000 0.765 781 M N 0.351 119.949 119.600 -0.002 0.000 2.449 781 M HA 0.390 4.869 4.480 -0.001 0.000 0.262 781 M C 0.051 176.404 176.300 0.089 0.000 1.152 781 M CA 0.325 55.647 55.300 0.037 0.000 1.104 781 M CB 0.267 32.849 32.600 -0.030 0.000 1.416 781 M HN 0.248 nan 8.290 nan 0.000 0.519 782 L N -0.677 120.618 121.223 0.120 0.000 2.388 782 L HA 0.341 4.680 4.340 -0.001 0.000 0.264 782 L C -1.731 175.179 176.870 0.067 0.000 0.998 782 L CA -1.858 53.028 54.840 0.077 0.000 0.817 782 L CB 2.133 44.214 42.059 0.035 0.000 1.338 782 L HN -0.172 nan 8.230 nan 0.000 0.414 783 P HA -0.231 nan 4.420 nan 0.000 0.212 783 P C 0.820 178.085 177.300 -0.058 0.000 1.174 783 P CA 1.383 64.248 63.100 -0.391 0.000 0.934 783 P CB 0.195 31.691 31.700 -0.341 0.000 0.791 784 D N -0.693 119.727 120.400 0.034 0.000 2.218 784 D HA -0.216 4.423 4.640 -0.001 0.000 0.194 784 D C 1.396 177.773 176.300 0.129 0.000 1.007 784 D CA 1.286 55.335 54.000 0.083 0.000 0.879 784 D CB -0.748 40.089 40.800 0.061 0.000 0.918 784 D HN 0.269 nan 8.370 nan 0.000 0.449 785 D N 0.437 120.949 120.400 0.187 0.000 2.271 785 D HA -0.152 4.487 4.640 -0.001 0.000 0.207 785 D C 2.141 178.730 176.300 0.481 0.000 0.983 785 D CA 0.219 54.402 54.000 0.305 0.000 0.878 785 D CB -0.091 40.933 40.800 0.373 0.000 0.920 785 D HN 0.300 nan 8.370 nan 0.000 0.479 786 I N 1.037 121.839 120.570 0.387 0.000 2.236 786 I HA -0.210 3.959 4.170 -0.001 0.000 0.249 786 I C 2.588 178.838 176.117 0.222 0.000 1.102 786 I CA 1.278 62.731 61.300 0.255 0.000 1.365 786 I CB -1.592 36.421 38.000 0.022 0.000 1.051 786 I HN 0.003 nan 8.210 nan 0.000 0.420 787 G N 0.613 109.503 108.800 0.150 0.000 2.408 787 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.217 787 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.217 787 G C 1.213 176.059 174.900 -0.090 0.000 1.150 787 G CA 0.567 45.694 45.100 0.044 0.000 0.776 787 G HN 0.303 nan 8.290 nan 0.000 0.542 788 D N 0.176 120.531 120.400 -0.076 0.000 2.280 788 D HA -0.087 4.553 4.640 -0.001 0.000 0.206 788 D C 0.355 176.340 176.300 -0.524 0.000 0.988 788 D CA 0.457 54.285 54.000 -0.286 0.000 0.886 788 D CB -0.153 40.493 40.800 -0.257 0.000 0.914 788 D HN 0.472 nan 8.370 nan 0.000 0.473 789 W N 0.219 121.434 121.300 -0.141 0.000 2.311 789 W HA 0.304 4.963 4.660 -0.002 0.000 0.310 789 W C -0.137 176.380 176.519 -0.004 0.000 1.274 789 W CA -0.515 56.822 57.345 -0.013 0.000 1.215 789 W CB 0.112 29.596 29.460 0.041 0.000 1.227 789 W HN -0.174 nan 8.180 nan 0.000 0.523 790 Y N 1.810 122.345 120.300 0.391 0.000 2.409 790 Y HA 0.608 5.157 4.550 -0.001 0.000 0.339 790 Y C 0.012 176.119 175.900 0.345 0.000 1.033 790 Y CA -1.334 56.949 58.100 0.305 0.000 1.094 790 Y CB 1.344 39.895 38.460 0.151 0.000 1.210 790 Y HN -0.006 nan 8.280 nan 0.000 0.456 791 V N 2.953 123.143 119.914 0.461 0.000 2.604 791 V HA 0.487 4.606 4.120 -0.001 0.000 0.305 791 V C -0.182 176.060 176.094 0.247 0.000 1.043 791 V CA -1.339 61.167 62.300 0.343 0.000 0.888 791 V CB 1.692 33.697 31.823 0.304 0.000 0.995 791 V HN 0.663 nan 8.190 nan 0.000 0.429 792 R N 2.621 123.229 120.500 0.179 0.000 2.734 792 R HA 0.528 4.867 4.340 -0.001 0.000 0.266 792 R C -0.032 176.324 176.300 0.093 0.000 1.044 792 R CA 0.799 56.973 56.100 0.122 0.000 1.128 792 R CB 0.575 30.931 30.300 0.095 0.000 1.010 792 R HN 1.000 nan 8.270 nan 0.000 0.461 793 A N 2.583 125.447 122.820 0.073 0.000 2.350 793 A HA 0.644 4.963 4.320 -0.001 0.000 0.318 793 A C 0.683 178.287 177.584 0.033 0.000 1.132 793 A CA -0.229 51.838 52.037 0.051 0.000 0.811 793 A CB 1.307 20.343 19.000 0.060 0.000 1.313 793 A HN 0.911 nan 8.150 nan 0.000 0.454 794 A N 0.763 123.595 122.820 0.019 0.000 1.865 794 A HA -0.195 4.125 4.320 -0.001 0.000 0.217 794 A C 1.566 179.159 177.584 0.016 0.000 1.191 794 A CA 2.579 54.623 52.037 0.013 0.000 0.623 794 A CB -1.131 17.872 19.000 0.005 0.000 0.826 794 A HN 1.047 nan 8.150 nan 0.000 0.444 795 D N -2.028 118.383 120.400 0.018 0.000 2.203 795 D HA 0.116 4.755 4.640 -0.001 0.000 0.199 795 D C 1.336 177.647 176.300 0.018 0.000 0.997 795 D CA 2.274 56.284 54.000 0.017 0.000 0.863 795 D CB -0.585 40.226 40.800 0.018 0.000 0.928 795 D HN 1.057 nan 8.370 nan 0.000 0.458 796 G N -1.154 107.660 108.800 0.024 0.000 2.480 796 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.193 796 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.193 796 G C -0.052 174.864 174.900 0.025 0.000 1.004 796 G CA 0.082 45.196 45.100 0.024 0.000 0.696 796 G HN 0.671 nan 8.290 nan 0.000 0.478 797 Q N 1.807 121.622 119.800 0.026 0.000 2.235 797 Q HA 0.732 5.071 4.340 -0.001 0.000 0.256 797 Q C 0.299 176.325 176.000 0.043 0.000 0.951 797 Q CA -0.962 54.852 55.803 0.019 0.000 0.890 797 Q CB 1.399 30.141 28.738 0.007 0.000 1.279 797 Q HN 0.172 nan 8.270 nan 0.000 0.444 798 M N 1.417 121.032 119.600 0.026 0.000 2.228 798 M HA 0.221 4.700 4.480 -0.001 0.000 0.303 798 M C -0.258 176.130 176.300 0.147 0.000 1.099 798 M CA -0.219 55.129 55.300 0.080 0.000 1.171 798 M CB -0.013 32.568 32.600 -0.032 0.000 1.412 798 M HN 0.539 nan 8.290 nan 0.000 0.447 799 V N 2.990 123.083 119.914 0.298 0.000 2.711 799 V HA 0.399 4.518 4.120 -0.001 0.000 0.304 799 V C -2.233 174.074 176.094 0.356 0.000 1.097 799 V CA -1.324 61.160 62.300 0.308 0.000 0.906 799 V CB 2.493 34.480 31.823 0.273 0.000 1.015 799 V HN 0.712 nan 8.190 nan 0.000 0.427 800 P HA 0.241 nan 4.420 nan 0.000 0.274 800 P C 0.611 177.672 177.300 -0.398 0.000 1.246 800 P CA -0.146 62.891 63.100 -0.106 0.000 0.795 800 P CB 1.213 32.837 31.700 -0.126 0.000 1.006 801 F N 0.947 120.583 119.950 -0.524 0.000 2.146 801 F HA -0.206 4.320 4.527 -0.001 0.000 0.298 801 F C 2.725 178.104 175.800 -0.701 0.000 1.096 801 F CA 2.444 59.968 58.000 -0.793 0.000 1.275 801 F CB -0.594 38.268 39.000 -0.230 0.000 1.008 801 F HN 0.297 nan 8.300 nan 0.000 0.480 802 S N -0.006 115.594 115.700 -0.166 0.000 2.440 802 S HA -0.219 4.250 4.470 -0.001 0.000 0.238 802 S C 2.061 176.571 174.600 -0.150 0.000 1.010 802 S CA 0.818 58.957 58.200 -0.101 0.000 0.972 802 S CB -0.889 62.289 63.200 -0.035 0.000 0.774 802 S HN 0.314 nan 8.310 nan 0.000 0.501 803 A N 1.504 124.169 122.820 -0.258 0.000 2.014 803 A HA 0.266 4.585 4.320 -0.001 0.000 0.218 803 A C 1.516 179.060 177.584 -0.068 0.000 1.163 803 A CA 0.853 52.806 52.037 -0.140 0.000 0.652 803 A CB -0.633 18.315 19.000 -0.087 0.000 0.808 803 A HN 0.923 nan 8.150 nan 0.000 0.449 804 F N -1.031 118.905 119.950 -0.023 0.000 2.835 804 F HA 0.553 5.079 4.527 -0.001 0.000 0.342 804 F C -0.069 175.698 175.800 -0.055 0.000 1.202 804 F CA -0.175 57.793 58.000 -0.054 0.000 1.240 804 F CB 0.141 39.082 39.000 -0.099 0.000 1.005 804 F HN 0.105 nan 8.300 nan 0.000 0.507 805 S N 0.118 115.875 115.700 0.096 0.000 2.558 805 S HA 0.653 5.123 4.470 -0.001 0.000 0.277 805 S C -0.780 173.841 174.600 0.034 0.000 1.143 805 S CA -0.217 58.051 58.200 0.114 0.000 0.865 805 S CB 1.343 64.667 63.200 0.207 0.000 1.102 805 S HN 0.559 nan 8.310 nan 0.000 0.454 806 S N 0.924 116.624 115.700 -0.000 0.000 2.689 806 S HA 0.950 5.419 4.470 -0.001 0.000 0.306 806 S C -0.019 174.507 174.600 -0.123 0.000 1.104 806 S CA -0.071 58.108 58.200 -0.035 0.000 0.973 806 S CB 1.421 64.603 63.200 -0.030 0.000 1.121 806 S HN 2.014 nan 8.310 nan 0.000 0.523 807 S N -0.171 115.437 115.700 -0.154 0.000 2.740 807 S HA 0.940 5.409 4.470 -0.001 0.000 0.300 807 S C -1.221 173.211 174.600 -0.281 0.000 1.147 807 S CA -1.066 56.902 58.200 -0.386 0.000 0.871 807 S CB 1.422 64.372 63.200 -0.416 0.000 1.173 807 S HN 1.421 nan 8.310 nan 0.000 0.510 808 R N -0.939 119.307 120.500 -0.424 0.000 4.920 808 R HA 0.079 4.418 4.340 -0.001 0.000 0.241 808 R C -2.400 173.745 176.300 -0.259 0.000 0.971 808 R CA -0.644 55.355 56.100 -0.168 0.000 1.351 808 R CB -0.897 29.344 30.300 -0.099 0.000 1.208 808 R HN 0.641 nan 8.270 nan 0.000 0.653 809 W N 2.597 123.868 121.300 -0.048 0.000 2.253 809 W HA 0.378 5.038 4.660 -0.001 0.000 0.322 809 W C 0.870 177.297 176.519 -0.153 0.000 1.342 809 W CA 0.515 57.818 57.345 -0.070 0.000 1.218 809 W CB 0.857 30.285 29.460 -0.054 0.000 1.205 809 W HN 0.639 nan 8.180 nan 0.000 0.551 810 E N 0.965 121.119 120.200 -0.076 0.000 2.449 810 E HA 0.485 4.834 4.350 -0.001 0.000 0.254 810 E C -1.633 174.841 176.600 -0.210 0.000 0.907 810 E CA -0.971 55.372 56.400 -0.094 0.000 0.840 810 E CB 1.396 31.054 29.700 -0.070 0.000 1.459 810 E HN 0.293 nan 8.360 nan 0.000 0.407 811 Y N -1.291 119.064 120.300 0.092 0.000 2.499 811 Y HA 0.684 5.233 4.550 -0.001 0.000 0.347 811 Y C 0.377 176.323 175.900 0.077 0.000 0.987 811 Y CA -0.102 58.060 58.100 0.104 0.000 1.044 811 Y CB 2.425 40.950 38.460 0.108 0.000 1.245 811 Y HN 0.625 nan 8.280 nan 0.000 0.461 812 G N -0.053 108.920 108.800 0.289 0.000 2.663 812 G HA2 0.484 4.443 3.960 -0.001 0.000 0.299 812 G HA3 0.484 4.443 3.960 -0.001 0.000 0.299 812 G C -1.698 173.279 174.900 0.129 0.000 1.372 812 G CA -0.887 44.296 45.100 0.138 0.000 0.781 812 G HN 0.462 nan 8.290 nan 0.000 0.491 813 S N 0.421 116.115 115.700 -0.011 0.000 2.659 813 S HA 0.598 5.067 4.470 -0.001 0.000 0.312 813 S C -1.718 172.891 174.600 0.015 0.000 1.114 813 S CA -1.444 56.772 58.200 0.026 0.000 1.063 813 S CB 2.158 65.332 63.200 -0.043 0.000 0.996 813 S HN 0.386 nan 8.310 nan 0.000 0.478 814 P HA -0.026 nan 4.420 nan 0.000 0.236 814 P C 0.023 177.354 177.300 0.052 0.000 1.172 814 P CA 0.446 63.582 63.100 0.060 0.000 0.759 814 P CB -0.068 31.680 31.700 0.078 0.000 0.843 815 R N 0.299 120.828 120.500 0.047 0.000 2.797 815 R HA 0.262 4.601 4.340 -0.001 0.000 0.230 815 R C -0.400 175.928 176.300 0.048 0.000 1.591 815 R CA -0.392 55.738 56.100 0.051 0.000 1.501 815 R CB -0.112 30.226 30.300 0.063 0.000 1.524 815 R HN 0.031 nan 8.270 nan 0.000 0.711 816 L N 2.975 124.203 121.223 0.008 0.000 2.456 816 L HA 0.230 4.569 4.340 -0.001 0.000 0.272 816 L C 0.436 177.332 176.870 0.043 0.000 1.189 816 L CA 0.470 55.309 54.840 -0.002 0.000 0.846 816 L CB 0.645 42.674 42.059 -0.050 0.000 1.111 816 L HN 0.517 nan 8.230 nan 0.000 0.475 817 E N 3.133 123.375 120.200 0.069 0.000 2.445 817 E HA 0.799 5.148 4.350 -0.001 0.000 0.273 817 E C -1.329 175.314 176.600 0.071 0.000 0.961 817 E CA -1.283 55.157 56.400 0.066 0.000 0.807 817 E CB 1.913 31.653 29.700 0.067 0.000 1.362 817 E HN 0.371 nan 8.360 nan 0.000 0.453 818 R N 0.213 120.757 120.500 0.073 0.000 2.734 818 R HA 0.430 4.769 4.340 -0.001 0.000 0.271 818 R C -1.728 174.645 176.300 0.121 0.000 1.021 818 R CA -0.988 55.159 56.100 0.079 0.000 0.893 818 R CB 1.002 31.328 30.300 0.044 0.000 1.244 818 R HN 0.767 nan 8.270 nan 0.000 0.464 819 Y N 1.707 121.989 120.300 -0.030 0.000 2.344 819 Y HA 0.261 4.811 4.550 -0.001 0.000 0.328 819 Y C -0.599 175.281 175.900 -0.033 0.000 1.067 819 Y CA -0.674 57.396 58.100 -0.050 0.000 1.247 819 Y CB 0.719 39.123 38.460 -0.093 0.000 1.113 819 Y HN 0.781 nan 8.280 nan 0.000 0.465 820 N N 4.161 122.655 118.700 -0.344 0.000 2.814 820 N HA -0.180 4.559 4.740 -0.001 0.000 0.247 820 N C 0.857 176.304 175.510 -0.104 0.000 1.089 820 N CA 1.482 54.382 53.050 -0.250 0.000 0.682 820 N CB -1.174 37.147 38.487 -0.278 0.000 0.970 820 N HN 1.327 nan 8.380 nan 0.000 0.554 821 G N -1.311 107.449 108.800 -0.068 0.000 2.420 821 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.221 821 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.221 821 G C 0.065 174.962 174.900 -0.006 0.000 1.117 821 G CA 0.356 45.437 45.100 -0.031 0.000 0.657 821 G HN 0.340 nan 8.290 nan 0.000 0.512 822 L N 3.686 124.910 121.223 0.002 0.000 2.371 822 L HA 0.454 4.794 4.340 -0.001 0.000 0.272 822 L C -1.460 175.435 176.870 0.042 0.000 1.124 822 L CA -2.108 52.744 54.840 0.021 0.000 0.816 822 L CB 0.803 42.875 42.059 0.022 0.000 1.129 822 L HN 0.078 nan 8.230 nan 0.000 0.448 823 P HA 0.032 nan 4.420 nan 0.000 0.268 823 P C -0.568 176.773 177.300 0.068 0.000 1.208 823 P CA 0.015 63.153 63.100 0.063 0.000 0.777 823 P CB 1.528 33.270 31.700 0.071 0.000 0.875 824 S N 0.966 116.711 115.700 0.076 0.000 2.688 824 S HA 0.763 5.232 4.470 -0.001 0.000 0.275 824 S C -1.465 173.165 174.600 0.051 0.000 1.175 824 S CA -0.711 57.523 58.200 0.056 0.000 0.818 824 S CB 0.940 64.185 63.200 0.074 0.000 1.157 824 S HN 0.409 nan 8.310 nan 0.000 0.482 825 M N 2.178 121.787 119.600 0.014 0.000 2.255 825 M HA 0.307 4.787 4.480 -0.001 0.000 0.275 825 M C -1.291 175.001 176.300 -0.014 0.000 1.050 825 M CA -0.295 55.015 55.300 0.018 0.000 0.978 825 M CB 2.121 34.736 32.600 0.024 0.000 1.761 825 M HN 0.698 nan 8.290 nan 0.000 0.479 826 E N 4.021 124.209 120.200 -0.020 0.000 2.259 826 E HA 0.509 4.858 4.350 -0.001 0.000 0.281 826 E C -1.428 175.166 176.600 -0.010 0.000 1.027 826 E CA -0.268 56.104 56.400 -0.046 0.000 0.838 826 E CB 1.093 30.756 29.700 -0.061 0.000 1.066 826 E HN 0.613 nan 8.360 nan 0.000 0.401 827 I N 6.284 126.869 120.570 0.025 0.000 2.389 827 I HA 0.256 4.425 4.170 -0.001 0.000 0.288 827 I C -0.207 175.869 176.117 -0.069 0.000 0.999 827 I CA -0.597 60.725 61.300 0.036 0.000 1.129 827 I CB 1.034 39.128 38.000 0.158 0.000 1.288 827 I HN 0.484 nan 8.210 nan 0.000 0.444 828 L N 5.090 126.201 121.223 -0.187 0.000 2.397 828 L HA 0.944 5.283 4.340 -0.001 0.000 0.266 828 L C 0.412 176.925 176.870 -0.596 0.000 1.040 828 L CA -0.685 53.914 54.840 -0.402 0.000 0.800 828 L CB 1.727 43.629 42.059 -0.261 0.000 1.324 828 L HN 0.727 nan 8.230 nan 0.000 0.469 829 G N -0.290 108.055 108.800 -0.758 0.000 2.340 829 G HA2 0.263 4.222 3.960 -0.001 0.000 0.300 829 G HA3 0.263 4.222 3.960 -0.001 0.000 0.300 829 G C -2.101 172.686 174.900 -0.188 0.000 1.488 829 G CA -0.674 44.152 45.100 -0.457 0.000 0.878 829 G HN 0.224 nan 8.290 nan 0.000 0.618 830 Q N -0.324 119.554 119.800 0.131 0.000 2.215 830 Q HA 0.742 5.081 4.340 -0.001 0.000 0.256 830 Q C 1.335 177.496 176.000 0.269 0.000 0.972 830 Q CA -0.028 55.874 55.803 0.164 0.000 0.889 830 Q CB 1.728 30.510 28.738 0.074 0.000 1.281 830 Q HN 0.965 nan 8.270 nan 0.000 0.456 831 A N 1.661 124.587 122.820 0.177 0.000 1.873 831 A HA 0.244 4.563 4.320 -0.001 0.000 0.211 831 A C 0.282 177.890 177.584 0.040 0.000 1.218 831 A CA 1.921 54.011 52.037 0.088 0.000 0.659 831 A CB -0.476 18.546 19.000 0.038 0.000 0.853 831 A HN 1.024 nan 8.150 nan 0.000 0.466 832 A N -3.617 119.216 122.820 0.022 0.000 2.602 832 A HA 0.505 4.825 4.320 -0.001 0.000 0.301 832 A C -3.152 174.431 177.584 -0.002 0.000 0.972 832 A CA -0.662 51.378 52.037 0.004 0.000 0.704 832 A CB -0.600 18.384 19.000 -0.026 0.000 1.264 832 A HN 0.152 nan 8.150 nan 0.000 0.410 833 P HA 0.333 nan 4.420 nan 0.000 0.245 833 P C 0.975 178.267 177.300 -0.014 0.000 1.347 833 P CA 2.317 65.414 63.100 -0.005 0.000 1.314 833 P CB -0.124 31.574 31.700 -0.003 0.000 1.679 834 G N 1.194 109.984 108.800 -0.017 0.000 2.143 834 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.175 834 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.175 834 G C -0.104 174.780 174.900 -0.028 0.000 1.004 834 G CA -0.597 44.489 45.100 -0.023 0.000 0.671 834 G HN 0.466 nan 8.290 nan 0.000 0.512 835 K N 0.181 120.564 120.400 -0.028 0.000 2.464 835 K HA 0.633 4.953 4.320 -0.001 0.000 0.253 835 K C -0.236 176.342 176.600 -0.037 0.000 0.933 835 K CA -0.523 55.741 56.287 -0.038 0.000 0.801 835 K CB 2.126 34.595 32.500 -0.052 0.000 1.271 835 K HN 0.128 nan 8.250 nan 0.000 0.430 836 S N 0.373 116.046 115.700 -0.044 0.000 2.632 836 S HA 0.086 4.555 4.470 -0.001 0.000 0.267 836 S C 1.245 175.801 174.600 -0.073 0.000 1.276 836 S CA -0.268 57.904 58.200 -0.045 0.000 0.998 836 S CB 0.799 63.974 63.200 -0.041 0.000 0.953 836 S HN 0.665 nan 8.310 nan 0.000 0.547 837 T N 3.138 117.649 114.554 -0.072 0.000 2.594 837 T HA -0.189 4.160 4.350 -0.001 0.000 0.266 837 T C 1.940 176.520 174.700 -0.199 0.000 1.070 837 T CA 1.810 63.838 62.100 -0.119 0.000 1.166 837 T CB -1.556 67.245 68.868 -0.112 0.000 0.862 837 T HN 0.852 nan 8.240 nan 0.000 0.436 838 G N 1.896 110.590 108.800 -0.176 0.000 2.574 838 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.220 838 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.220 838 G C 1.547 176.349 174.900 -0.163 0.000 1.173 838 G CA 1.166 46.157 45.100 -0.182 0.000 0.772 838 G HN 0.519 nan 8.290 nan 0.000 0.585 839 E N 0.781 120.904 120.200 -0.129 0.000 2.033 839 E HA -0.183 4.166 4.350 -0.001 0.000 0.199 839 E C 3.021 179.527 176.600 -0.157 0.000 1.011 839 E CA 1.251 57.580 56.400 -0.118 0.000 0.815 839 E CB -0.613 29.031 29.700 -0.094 0.000 0.755 839 E HN 0.391 nan 8.360 nan 0.000 0.451 840 A N 0.780 123.489 122.820 -0.184 0.000 1.978 840 A HA -0.185 4.134 4.320 -0.001 0.000 0.220 840 A C 2.219 179.595 177.584 -0.346 0.000 1.170 840 A CA 1.676 53.563 52.037 -0.251 0.000 0.636 840 A CB -0.448 18.404 19.000 -0.248 0.000 0.810 840 A HN 0.163 nan 8.150 nan 0.000 0.448 841 M N -0.607 118.788 119.600 -0.341 0.000 2.134 841 M HA -0.118 4.361 4.480 -0.001 0.000 0.262 841 M C 2.144 178.379 176.300 -0.108 0.000 1.076 841 M CA 1.621 56.740 55.300 -0.302 0.000 1.143 841 M CB -0.530 31.767 32.600 -0.505 0.000 1.346 841 M HN 0.668 nan 8.290 nan 0.000 0.421 842 E N 0.895 121.034 120.200 -0.103 0.000 2.208 842 E HA -0.291 4.059 4.350 -0.001 0.000 0.202 842 E C 1.883 178.454 176.600 -0.048 0.000 1.014 842 E CA 1.705 58.081 56.400 -0.039 0.000 0.819 842 E CB -0.698 28.971 29.700 -0.052 0.000 0.735 842 E HN 0.397 nan 8.360 nan 0.000 0.469 843 L N 0.740 121.899 121.223 -0.106 0.000 2.023 843 L HA -0.071 4.268 4.340 -0.001 0.000 0.205 843 L C 2.421 179.210 176.870 -0.136 0.000 1.073 843 L CA 1.828 56.595 54.840 -0.121 0.000 0.745 843 L CB -0.595 41.356 42.059 -0.180 0.000 0.900 843 L HN 0.147 nan 8.230 nan 0.000 0.435 844 M N -0.338 119.143 119.600 -0.199 0.000 2.195 844 M HA -0.227 4.252 4.480 -0.001 0.000 0.260 844 M C 2.069 178.158 176.300 -0.352 0.000 1.066 844 M CA 1.663 56.760 55.300 -0.338 0.000 1.089 844 M CB -0.908 31.446 32.600 -0.409 0.000 1.377 844 M HN 0.450 nan 8.290 nan 0.000 0.411 845 E N -0.450 119.657 120.200 -0.156 0.000 2.152 845 E HA -0.176 4.174 4.350 -0.001 0.000 0.192 845 E C 2.045 178.619 176.600 -0.044 0.000 0.983 845 E CA 0.806 57.091 56.400 -0.191 0.000 0.818 845 E CB -0.099 29.645 29.700 0.073 0.000 0.758 845 E HN 0.646 nan 8.360 nan 0.000 0.467 846 Q N 0.740 120.525 119.800 -0.025 0.000 2.020 846 Q HA -0.081 4.258 4.340 -0.001 0.000 0.198 846 Q C 2.443 178.441 176.000 -0.003 0.000 0.974 846 Q CA 0.901 56.710 55.803 0.010 0.000 0.829 846 Q CB -0.152 28.589 28.738 0.005 0.000 0.894 846 Q HN 0.249 nan 8.270 nan 0.000 0.433 847 L N 0.601 121.798 121.223 -0.043 0.000 2.137 847 L HA -0.283 4.056 4.340 -0.001 0.000 0.213 847 L C 2.493 179.340 176.870 -0.039 0.000 1.085 847 L CA 1.088 55.902 54.840 -0.042 0.000 0.760 847 L CB -0.658 41.358 42.059 -0.073 0.000 0.893 847 L HN 0.263 nan 8.230 nan 0.000 0.434 848 A N 0.139 122.930 122.820 -0.049 0.000 1.877 848 A HA -0.240 4.079 4.320 -0.001 0.000 0.216 848 A C 2.525 180.165 177.584 0.094 0.000 1.186 848 A CA 1.927 53.992 52.037 0.045 0.000 0.620 848 A CB -0.867 18.222 19.000 0.149 0.000 0.822 848 A HN 0.531 nan 8.150 nan 0.000 0.443 849 S N 0.503 116.267 115.700 0.107 0.000 2.400 849 S HA -0.340 4.130 4.470 -0.001 0.000 0.234 849 S C 1.819 176.455 174.600 0.060 0.000 1.049 849 S CA 1.959 60.218 58.200 0.098 0.000 1.039 849 S CB -0.583 62.668 63.200 0.085 0.000 0.856 849 S HN 0.648 nan 8.310 nan 0.000 0.465 850 K N 1.243 121.667 120.400 0.039 0.000 2.009 850 K HA 0.081 4.400 4.320 -0.001 0.000 0.210 850 K C 0.895 177.509 176.600 0.024 0.000 1.049 850 K CA 0.813 57.113 56.287 0.023 0.000 0.929 850 K CB -0.842 31.663 32.500 0.007 0.000 0.714 850 K HN 0.401 nan 8.250 nan 0.000 0.440 851 L N 2.220 123.460 121.223 0.029 0.000 2.621 851 L HA -0.134 4.205 4.340 -0.001 0.000 0.313 851 L C -1.931 174.956 176.870 0.029 0.000 1.277 851 L CA -1.002 53.856 54.840 0.030 0.000 0.857 851 L CB -0.653 41.435 42.059 0.049 0.000 1.093 851 L HN 0.028 nan 8.230 nan 0.000 0.527 852 P HA -0.045 nan 4.420 nan 0.000 0.272 852 P C -0.605 176.709 177.300 0.023 0.000 1.239 852 P CA 0.035 63.146 63.100 0.017 0.000 0.807 852 P CB 0.214 31.921 31.700 0.011 0.000 0.951 853 T N -0.879 113.686 114.554 0.018 0.000 2.897 853 T HA 0.466 4.815 4.350 -0.001 0.000 0.294 853 T C 1.205 175.915 174.700 0.016 0.000 1.004 853 T CA 0.211 62.322 62.100 0.018 0.000 1.106 853 T CB 0.835 69.711 68.868 0.014 0.000 0.949 853 T HN 0.806 nan 8.240 nan 0.000 0.520 854 G N 1.505 110.314 108.800 0.015 0.000 2.475 854 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.209 854 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.209 854 G C 0.159 175.068 174.900 0.014 0.000 1.127 854 G CA -0.313 44.794 45.100 0.012 0.000 0.681 854 G HN 0.877 nan 8.290 nan 0.000 0.517 855 V N 2.462 122.391 119.914 0.025 0.000 2.644 855 V HA 0.458 4.577 4.120 -0.001 0.000 0.305 855 V C 1.228 177.351 176.094 0.048 0.000 1.053 855 V CA 1.435 63.758 62.300 0.039 0.000 1.186 855 V CB 0.743 32.596 31.823 0.050 0.000 0.895 855 V HN 1.305 nan 8.190 nan 0.000 0.490 856 G N 3.688 112.510 108.800 0.037 0.000 2.827 856 G HA2 0.792 4.751 3.960 -0.001 0.000 0.296 856 G HA3 0.792 4.751 3.960 -0.001 0.000 0.296 856 G C -1.455 173.449 174.900 0.007 0.000 1.362 856 G CA -0.251 44.849 45.100 0.000 0.000 0.809 856 G HN 0.840 nan 8.290 nan 0.000 0.522 857 Y N -1.843 118.339 120.300 -0.196 0.000 2.900 857 Y HA 0.846 5.396 4.550 -0.001 0.000 0.318 857 Y C -1.369 174.227 175.900 -0.506 0.000 1.457 857 Y CA -1.179 56.626 58.100 -0.492 0.000 1.082 857 Y CB 1.558 39.569 38.460 -0.749 0.000 1.419 857 Y HN 0.751 nan 8.280 nan 0.000 0.459 858 D N -1.656 118.434 120.400 -0.516 0.000 2.926 858 D HA 0.302 4.942 4.640 -0.001 0.000 0.272 858 D C -2.433 173.456 176.300 -0.686 0.000 1.172 858 D CA -0.457 53.294 54.000 -0.414 0.000 0.731 858 D CB 0.942 41.641 40.800 -0.167 0.000 1.282 858 D HN 0.598 nan 8.370 nan 0.000 0.430 859 W N 0.711 121.996 121.300 -0.024 0.000 2.606 859 W HA 0.619 5.279 4.660 -0.002 0.000 0.332 859 W C 0.387 176.894 176.519 -0.019 0.000 1.052 859 W CA -0.323 57.017 57.345 -0.009 0.000 1.223 859 W CB 1.917 31.462 29.460 0.142 0.000 1.383 859 W HN 0.152 nan 8.180 nan 0.000 0.524 860 T N 0.687 115.274 114.554 0.054 0.000 2.766 860 T HA 0.520 4.869 4.350 -0.001 0.000 0.245 860 T C 0.196 174.884 174.700 -0.021 0.000 1.045 860 T CA -0.566 61.397 62.100 -0.228 0.000 1.038 860 T CB -0.302 68.316 68.868 -0.416 0.000 2.089 860 T HN 0.487 nan 8.240 nan 0.000 0.546 861 G N 0.730 109.481 108.800 -0.082 0.000 2.358 861 G HA2 0.458 4.417 3.960 -0.001 0.000 0.273 861 G HA3 0.458 4.417 3.960 -0.001 0.000 0.273 861 G C 0.122 175.065 174.900 0.071 0.000 1.215 861 G CA -0.167 44.973 45.100 0.066 0.000 0.910 861 G HN 0.826 nan 8.290 nan 0.000 0.467 862 M N 2.106 121.768 119.600 0.102 0.000 3.126 862 M HA -0.190 4.289 4.480 -0.001 0.000 0.244 862 M C 0.199 176.566 176.300 0.110 0.000 0.487 862 M CA 0.895 56.237 55.300 0.070 0.000 0.928 862 M CB -1.440 31.179 32.600 0.032 0.000 3.294 862 M HN 1.569 nan 8.290 nan 0.000 0.353 863 S N -1.321 114.469 115.700 0.149 0.000 4.596 863 S HA 0.067 4.536 4.470 -0.001 0.000 0.046 863 S C -0.586 174.131 174.600 0.194 0.000 0.861 863 S CA -0.122 58.137 58.200 0.098 0.000 0.881 863 S CB -1.216 62.083 63.200 0.165 0.000 0.488 863 S HN 0.793 nan 8.310 nan 0.000 0.792 864 Y N 2.087 122.440 120.300 0.088 0.000 2.462 864 Y HA 0.531 5.080 4.550 -0.001 0.000 0.253 864 Y C 0.744 176.691 175.900 0.077 0.000 1.095 864 Y CA 0.510 58.698 58.100 0.148 0.000 1.283 864 Y CB 0.531 39.124 38.460 0.221 0.000 1.138 864 Y HN 0.496 nan 8.280 nan 0.000 0.522 865 Q N -0.617 119.225 119.800 0.070 0.000 2.712 865 Q HA 0.334 4.673 4.340 -0.001 0.000 0.267 865 Q C 0.214 176.176 176.000 -0.063 0.000 1.062 865 Q CA -0.381 55.409 55.803 -0.022 0.000 0.888 865 Q CB 1.045 29.807 28.738 0.039 0.000 1.374 865 Q HN -0.075 nan 8.270 nan 0.000 0.498 866 E N -0.197 119.968 120.200 -0.057 0.000 2.490 866 E HA 0.250 4.599 4.350 -0.001 0.000 0.209 866 E C -0.756 175.821 176.600 -0.040 0.000 0.971 866 E CA -0.096 56.264 56.400 -0.066 0.000 0.988 866 E CB 0.594 30.253 29.700 -0.068 0.000 1.029 866 E HN 0.293 nan 8.360 nan 0.000 0.496 867 R N -0.899 119.590 120.500 -0.018 0.000 4.032 867 R HA -0.144 4.195 4.340 -0.001 0.000 0.424 867 R C 0.513 176.835 176.300 0.036 0.000 0.241 867 R CA 0.544 56.647 56.100 0.004 0.000 1.347 867 R CB -1.442 28.854 30.300 -0.006 0.000 1.148 867 R HN 0.119 nan 8.270 nan 0.000 0.489 868 L N 0.748 122.017 121.223 0.077 0.000 2.100 868 L HA -0.034 4.305 4.340 -0.001 0.000 0.226 868 L C 1.234 178.170 176.870 0.109 0.000 1.067 868 L CA 0.731 55.644 54.840 0.122 0.000 2.116 868 L CB -0.677 41.508 42.059 0.209 0.000 1.858 868 L HN 0.581 nan 8.230 nan 0.000 0.851 869 S N 0.527 116.317 115.700 0.150 0.000 3.205 869 S HA 0.209 4.678 4.470 -0.001 0.000 0.381 869 S C 0.689 175.342 174.600 0.088 0.000 1.122 869 S CA 0.755 59.042 58.200 0.145 0.000 1.485 869 S CB -0.714 62.593 63.200 0.178 0.000 1.058 869 S HN 0.821 nan 8.310 nan 0.000 0.570 870 G N 2.486 111.323 108.800 0.063 0.000 2.559 870 G HA2 -0.127 3.832 3.960 -0.001 0.000 0.202 870 G HA3 -0.127 3.832 3.960 -0.001 0.000 0.202 870 G C 0.327 175.233 174.900 0.011 0.000 0.992 870 G CA 0.201 45.318 45.100 0.029 0.000 0.764 870 G HN 0.611 nan 8.290 nan 0.000 0.525 871 N N -1.205 117.507 118.700 0.020 0.000 2.370 871 N HA 0.023 4.762 4.740 -0.001 0.000 0.313 871 N C 1.308 176.823 175.510 0.008 0.000 0.694 871 N CA 1.051 54.102 53.050 0.003 0.000 0.849 871 N CB -0.505 37.976 38.487 -0.011 0.000 2.143 871 N HN 0.168 nan 8.380 nan 0.000 1.284 872 Q N 0.805 120.620 119.800 0.025 0.000 1.775 872 Q HA 0.163 4.503 4.340 -0.001 0.000 0.303 872 Q C 1.670 177.692 176.000 0.036 0.000 0.954 872 Q CA 1.373 57.186 55.803 0.017 0.000 0.883 872 Q CB -0.483 28.270 28.738 0.027 0.000 0.916 872 Q HN 0.302 nan 8.270 nan 0.000 0.427 873 A N 1.431 124.293 122.820 0.069 0.000 1.969 873 A HA -0.223 4.097 4.320 -0.001 0.000 0.223 873 A C -0.585 177.156 177.584 0.262 0.000 1.218 873 A CA 2.335 54.485 52.037 0.190 0.000 0.667 873 A CB -2.016 17.206 19.000 0.369 0.000 0.826 873 A HN 0.478 nan 8.150 nan 0.000 0.472 874 P HA -0.080 nan 4.420 nan 0.000 0.231 874 P C 1.369 178.697 177.300 0.046 0.000 1.158 874 P CA 1.632 64.766 63.100 0.057 0.000 0.763 874 P CB 0.006 31.714 31.700 0.012 0.000 0.805 875 S N -2.226 113.503 115.700 0.050 0.000 2.591 875 S HA 0.109 4.578 4.470 -0.001 0.000 0.235 875 S C 1.738 176.360 174.600 0.036 0.000 1.074 875 S CA 0.026 58.236 58.200 0.017 0.000 0.925 875 S CB -1.067 62.120 63.200 -0.022 0.000 0.818 875 S HN 0.015 nan 8.310 nan 0.000 0.535 876 L N -0.294 120.953 121.223 0.041 0.000 2.072 876 L HA 0.056 4.395 4.340 -0.001 0.000 0.205 876 L C 2.514 179.418 176.870 0.056 0.000 1.079 876 L CA 1.386 56.259 54.840 0.056 0.000 0.752 876 L CB -0.753 41.321 42.059 0.024 0.000 0.906 876 L HN 0.240 nan 8.230 nan 0.000 0.436 877 Y N 0.696 120.979 120.300 -0.030 0.000 2.298 877 Y HA -0.298 4.251 4.550 -0.001 0.000 0.287 877 Y C 2.581 178.460 175.900 -0.034 0.000 1.164 877 Y CA 1.139 59.215 58.100 -0.041 0.000 1.229 877 Y CB -0.500 37.929 38.460 -0.052 0.000 0.977 877 Y HN 0.157 nan 8.280 nan 0.000 0.538 878 A N 0.398 123.301 122.820 0.139 0.000 1.834 878 A HA -0.219 4.100 4.320 -0.001 0.000 0.216 878 A C 2.288 179.911 177.584 0.066 0.000 1.203 878 A CA 2.072 54.149 52.037 0.068 0.000 0.621 878 A CB -1.154 17.868 19.000 0.036 0.000 0.841 878 A HN 0.416 nan 8.150 nan 0.000 0.446 879 I N -0.242 120.371 120.570 0.071 0.000 2.087 879 I HA -0.333 3.836 4.170 -0.001 0.000 0.240 879 I C 2.758 178.911 176.117 0.059 0.000 1.054 879 I CA 1.800 63.146 61.300 0.077 0.000 1.311 879 I CB -0.797 37.277 38.000 0.124 0.000 1.024 879 I HN 0.295 nan 8.210 nan 0.000 0.402 880 S N 0.712 116.431 115.700 0.033 0.000 2.393 880 S HA -0.213 4.256 4.470 -0.001 0.000 0.234 880 S C 1.700 176.317 174.600 0.030 0.000 1.064 880 S CA 1.668 59.867 58.200 -0.001 0.000 1.088 880 S CB -0.411 62.749 63.200 -0.067 0.000 0.939 880 S HN 0.360 nan 8.310 nan 0.000 0.448 881 L N 0.034 121.288 121.223 0.052 0.000 2.628 881 L HA 0.325 4.665 4.340 -0.001 0.000 0.229 881 L C 1.368 178.279 176.870 0.069 0.000 1.137 881 L CA 0.059 54.931 54.840 0.054 0.000 0.909 881 L CB -0.032 42.051 42.059 0.039 0.000 1.137 881 L HN 0.271 nan 8.230 nan 0.000 0.470 882 I N -1.459 119.157 120.570 0.076 0.000 3.081 882 I HA -0.085 4.085 4.170 -0.001 0.000 0.274 882 I C 2.093 178.284 176.117 0.123 0.000 1.178 882 I CA 0.479 61.836 61.300 0.095 0.000 1.460 882 I CB 0.654 38.696 38.000 0.070 0.000 1.137 882 I HN 0.076 nan 8.210 nan 0.000 0.443 883 V N -0.068 119.903 119.914 0.095 0.000 3.235 883 V HA -0.044 4.075 4.120 -0.001 0.000 0.259 883 V C 2.103 178.254 176.094 0.096 0.000 1.133 883 V CA 0.966 63.317 62.300 0.085 0.000 1.128 883 V CB 0.475 32.332 31.823 0.058 0.000 0.757 883 V HN 0.148 nan 8.190 nan 0.000 0.469 884 V N 0.120 120.099 119.914 0.107 0.000 2.295 884 V HA -0.186 3.934 4.120 -0.001 0.000 0.246 884 V C 2.204 178.406 176.094 0.180 0.000 1.049 884 V CA 2.548 64.914 62.300 0.111 0.000 1.024 884 V CB -0.823 31.056 31.823 0.095 0.000 0.648 884 V HN 0.672 nan 8.190 nan 0.000 0.447 885 F N -0.419 119.557 119.950 0.043 0.000 2.771 885 F HA 0.067 4.593 4.527 -0.001 0.000 0.299 885 F C 1.425 177.294 175.800 0.115 0.000 1.177 885 F CA 0.650 58.697 58.000 0.079 0.000 1.450 885 F CB -0.290 38.761 39.000 0.085 0.000 1.114 885 F HN 0.038 nan 8.300 nan 0.000 0.587 886 L N -1.913 119.355 121.223 0.074 0.000 2.496 886 L HA -0.092 4.247 4.340 -0.001 0.000 0.189 886 L C 2.460 179.335 176.870 0.010 0.000 1.308 886 L CA 0.728 55.581 54.840 0.021 0.000 0.912 886 L CB -1.228 40.863 42.059 0.054 0.000 1.148 886 L HN -0.101 nan 8.230 nan 0.000 0.537 887 C N 0.899 120.216 119.300 0.028 0.000 2.397 887 C HA -0.224 4.235 4.460 -0.001 0.000 0.279 887 C C 2.425 177.418 174.990 0.005 0.000 1.206 887 C CA 0.626 59.657 59.018 0.022 0.000 1.818 887 C CB -1.333 26.424 27.740 0.030 0.000 2.087 887 C HN 0.411 nan 8.230 nan 0.000 0.488 888 L N 0.112 121.319 121.223 -0.026 0.000 2.693 888 L HA 0.069 4.409 4.340 -0.001 0.000 0.242 888 L C 1.992 178.783 176.870 -0.132 0.000 1.157 888 L CA 0.632 55.392 54.840 -0.133 0.000 0.929 888 L CB -0.481 41.500 42.059 -0.131 0.000 1.103 888 L HN 0.439 nan 8.230 nan 0.000 0.430 889 A N -1.060 121.726 122.820 -0.057 0.000 2.140 889 A HA 0.363 4.682 4.320 -0.001 0.000 0.199 889 A C 2.128 179.677 177.584 -0.058 0.000 1.416 889 A CA 0.593 52.578 52.037 -0.086 0.000 1.018 889 A CB 0.012 18.945 19.000 -0.112 0.000 1.117 889 A HN 0.212 nan 8.150 nan 0.000 0.480 890 A N -0.802 122.010 122.820 -0.012 0.000 2.216 890 A HA 0.299 4.619 4.320 -0.001 0.000 0.214 890 A C 0.984 178.580 177.584 0.021 0.000 1.160 890 A CA 1.140 53.174 52.037 -0.005 0.000 0.725 890 A CB -0.144 18.863 19.000 0.011 0.000 0.784 890 A HN 0.370 nan 8.150 nan 0.000 0.472 891 L N -2.796 118.480 121.223 0.088 0.000 3.573 891 L HA 0.314 4.653 4.340 -0.001 0.000 0.335 891 L C 0.051 177.033 176.870 0.187 0.000 1.321 891 L CA 0.454 55.360 54.840 0.111 0.000 1.009 891 L CB -0.908 41.225 42.059 0.123 0.000 1.417 891 L HN 0.421 nan 8.230 nan 0.000 0.619 892 Y N 0.295 120.549 120.300 -0.076 0.000 3.087 892 Y HA 0.192 4.741 4.550 -0.001 0.000 0.227 892 Y C 0.782 176.605 175.900 -0.128 0.000 1.015 892 Y CA -0.216 57.843 58.100 -0.068 0.000 1.399 892 Y CB 0.501 38.941 38.460 -0.034 0.000 1.483 892 Y HN 0.202 nan 8.280 nan 0.000 0.420 893 E N 0.872 121.050 120.200 -0.036 0.000 3.783 893 E HA -0.196 4.153 4.350 -0.001 0.000 0.154 893 E C -0.153 176.301 176.600 -0.243 0.000 1.748 893 E CA 0.659 56.896 56.400 -0.271 0.000 0.854 893 E CB -0.823 28.732 29.700 -0.242 0.000 1.075 893 E HN 0.503 nan 8.360 nan 0.000 0.360 894 S N 2.258 117.783 115.700 -0.291 0.000 2.221 894 S HA 0.052 4.521 4.470 -0.001 0.000 0.264 894 S C 1.018 175.601 174.600 -0.028 0.000 0.971 894 S CA 0.284 58.394 58.200 -0.151 0.000 1.397 894 S CB -0.690 62.508 63.200 -0.004 0.000 1.050 894 S HN 0.793 nan 8.310 nan 0.000 0.507 895 W N 1.360 122.574 121.300 -0.143 0.000 0.884 895 W HA -0.394 4.266 4.660 -0.001 0.000 0.220 895 W C 2.068 178.425 176.519 -0.269 0.000 0.927 895 W CA 1.289 58.541 57.345 -0.155 0.000 0.352 895 W CB -1.710 27.704 29.460 -0.077 0.000 1.923 895 W HN 0.620 nan 8.180 nan 0.000 1.344 896 S N -0.597 115.012 115.700 -0.152 0.000 2.460 896 S HA 0.090 4.559 4.470 -0.001 0.000 0.226 896 S C 1.143 175.489 174.600 -0.424 0.000 1.057 896 S CA 0.695 58.506 58.200 -0.649 0.000 0.948 896 S CB -0.540 62.500 63.200 -0.267 0.000 0.822 896 S HN 0.302 nan 8.310 nan 0.000 0.512 897 I N 2.585 123.114 120.570 -0.068 0.000 2.361 897 I HA -0.027 4.142 4.170 -0.001 0.000 0.251 897 I C -1.201 175.021 176.117 0.175 0.000 1.133 897 I CA 0.753 62.134 61.300 0.135 0.000 1.413 897 I CB -0.967 37.206 38.000 0.287 0.000 1.073 897 I HN 0.249 nan 8.210 nan 0.000 0.424 898 P HA -0.086 nan 4.420 nan 0.000 0.242 898 P C 1.322 178.835 177.300 0.354 0.000 1.197 898 P CA 1.140 64.321 63.100 0.135 0.000 0.765 898 P CB -0.161 31.680 31.700 0.235 0.000 0.936 899 F N 0.237 120.282 119.950 0.157 0.000 2.128 899 F HA -0.203 4.323 4.527 -0.001 0.000 0.295 899 F C 2.612 178.376 175.800 -0.060 0.000 1.100 899 F CA 0.913 58.920 58.000 0.011 0.000 1.260 899 F CB -0.632 38.371 39.000 0.006 0.000 1.009 899 F HN 0.052 nan 8.300 nan 0.000 0.476 900 S N 0.922 116.769 115.700 0.244 0.000 2.427 900 S HA -0.264 4.205 4.470 -0.001 0.000 0.231 900 S C 1.882 176.470 174.600 -0.019 0.000 1.045 900 S CA 1.812 60.104 58.200 0.154 0.000 1.154 900 S CB -1.389 62.063 63.200 0.420 0.000 1.093 900 S HN 0.138 nan 8.310 nan 0.000 0.422 901 V N 2.603 122.562 119.914 0.075 0.000 2.313 901 V HA -0.278 3.841 4.120 -0.001 0.000 0.253 901 V C 2.814 178.888 176.094 -0.033 0.000 1.070 901 V CA 2.387 64.703 62.300 0.026 0.000 1.057 901 V CB -1.052 30.761 31.823 -0.017 0.000 0.653 901 V HN 0.494 nan 8.190 nan 0.000 0.450 902 M N -0.860 118.720 119.600 -0.032 0.000 2.080 902 M HA -0.167 4.313 4.480 -0.001 0.000 0.260 902 M C 2.271 178.483 176.300 -0.146 0.000 1.068 902 M CA 1.900 57.163 55.300 -0.062 0.000 1.109 902 M CB -1.099 31.468 32.600 -0.055 0.000 1.342 902 M HN 0.327 nan 8.290 nan 0.000 0.405 903 L N -0.674 120.357 121.223 -0.321 0.000 2.187 903 L HA -0.208 4.132 4.340 -0.001 0.000 0.213 903 L C 2.530 179.232 176.870 -0.281 0.000 1.100 903 L CA 0.669 55.226 54.840 -0.472 0.000 0.765 903 L CB -0.871 40.469 42.059 -1.198 0.000 0.904 903 L HN 0.102 nan 8.230 nan 0.000 0.437 904 V N -0.333 119.448 119.914 -0.222 0.000 2.220 904 V HA -0.321 3.799 4.120 -0.001 0.000 0.246 904 V C 2.495 178.651 176.094 0.104 0.000 1.049 904 V CA 1.918 64.298 62.300 0.135 0.000 1.003 904 V CB -0.326 31.592 31.823 0.158 0.000 0.634 904 V HN 0.184 nan 8.190 nan 0.000 0.444 905 V N -0.096 119.842 119.914 0.040 0.000 2.314 905 V HA -0.381 3.738 4.120 -0.001 0.000 0.256 905 V C 0.182 176.291 176.094 0.025 0.000 1.090 905 V CA 3.236 65.552 62.300 0.027 0.000 1.105 905 V CB -2.347 29.475 31.823 -0.002 0.000 0.785 905 V HN 0.509 nan 8.190 nan 0.000 0.464 906 P HA -0.125 nan 4.420 nan 0.000 0.216 906 P C 1.748 179.032 177.300 -0.027 0.000 1.150 906 P CA 1.153 64.233 63.100 -0.034 0.000 0.843 906 P CB -0.104 31.529 31.700 -0.112 0.000 0.787 907 L N -0.566 120.661 121.223 0.006 0.000 1.990 907 L HA -0.147 4.192 4.340 -0.001 0.000 0.213 907 L C 2.555 179.430 176.870 0.008 0.000 1.072 907 L CA 2.484 57.317 54.840 -0.013 0.000 0.755 907 L CB -2.262 39.813 42.059 0.028 0.000 0.889 907 L HN 0.053 nan 8.230 nan 0.000 0.432 908 G N -1.466 107.356 108.800 0.036 0.000 2.403 908 G HA2 -0.113 3.846 3.960 -0.001 0.000 0.216 908 G HA3 -0.113 3.846 3.960 -0.001 0.000 0.216 908 G C 1.623 176.553 174.900 0.050 0.000 1.154 908 G CA 0.808 45.935 45.100 0.045 0.000 0.784 908 G HN 0.297 nan 8.290 nan 0.000 0.538 909 V N 0.816 120.760 119.914 0.050 0.000 2.594 909 V HA -0.134 3.985 4.120 -0.001 0.000 0.253 909 V C 2.539 178.700 176.094 0.112 0.000 1.069 909 V CA 1.187 63.540 62.300 0.087 0.000 1.082 909 V CB -0.315 31.555 31.823 0.078 0.000 0.680 909 V HN 0.336 nan 8.190 nan 0.000 0.469 910 I N 1.390 121.995 120.570 0.058 0.000 2.353 910 I HA -0.002 4.168 4.170 -0.001 0.000 0.248 910 I C 2.293 178.437 176.117 0.044 0.000 1.119 910 I CA 1.570 62.899 61.300 0.049 0.000 1.417 910 I CB -0.923 37.078 38.000 0.002 0.000 1.078 910 I HN 0.200 nan 8.210 nan 0.000 0.421 911 G N -0.039 108.780 108.800 0.031 0.000 2.453 911 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.215 911 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.215 911 G C 1.793 176.723 174.900 0.050 0.000 1.201 911 G CA 0.866 45.973 45.100 0.012 0.000 0.784 911 G HN 0.553 nan 8.290 nan 0.000 0.545 912 A N 0.585 123.469 122.820 0.107 0.000 1.903 912 A HA -0.057 4.262 4.320 -0.001 0.000 0.219 912 A C 2.480 180.250 177.584 0.310 0.000 1.191 912 A CA 1.658 53.827 52.037 0.220 0.000 0.638 912 A CB -0.537 18.583 19.000 0.200 0.000 0.823 912 A HN 0.370 nan 8.150 nan 0.000 0.451 913 L N -1.514 119.860 121.223 0.252 0.000 2.056 913 L HA -0.152 4.188 4.340 -0.001 0.000 0.207 913 L C 2.533 179.421 176.870 0.029 0.000 1.078 913 L CA 0.621 55.538 54.840 0.127 0.000 0.749 913 L CB -0.488 41.653 42.059 0.137 0.000 0.901 913 L HN 0.330 nan 8.230 nan 0.000 0.433 914 L N 0.139 121.379 121.223 0.028 0.000 1.943 914 L HA -0.205 4.134 4.340 -0.001 0.000 0.215 914 L C 2.789 179.625 176.870 -0.058 0.000 1.074 914 L CA 2.232 57.051 54.840 -0.035 0.000 0.759 914 L CB -1.199 40.785 42.059 -0.125 0.000 0.888 914 L HN 0.195 nan 8.230 nan 0.000 0.433 915 A N -0.804 121.968 122.820 -0.081 0.000 1.903 915 A HA -0.301 4.018 4.320 -0.001 0.000 0.219 915 A C 2.441 180.040 177.584 0.026 0.000 1.191 915 A CA 2.716 54.725 52.037 -0.048 0.000 0.638 915 A CB -1.301 17.689 19.000 -0.016 0.000 0.823 915 A HN 0.556 nan 8.150 nan 0.000 0.451 916 A N -0.624 122.195 122.820 -0.001 0.000 1.892 916 A HA -0.195 4.124 4.320 -0.001 0.000 0.218 916 A C 2.443 179.977 177.584 -0.083 0.000 1.188 916 A CA 3.027 55.002 52.037 -0.103 0.000 0.631 916 A CB -1.549 17.239 19.000 -0.353 0.000 0.822 916 A HN 0.788 nan 8.150 nan 0.000 0.447 917 T N -2.997 111.542 114.554 -0.025 0.000 2.770 917 T HA -0.069 4.280 4.350 -0.001 0.000 0.263 917 T C 1.656 176.428 174.700 0.121 0.000 1.039 917 T CA 1.250 63.359 62.100 0.016 0.000 1.142 917 T CB -0.546 68.345 68.868 0.039 0.000 0.868 917 T HN 0.178 nan 8.240 nan 0.000 0.435 918 F N 1.963 121.880 119.950 -0.055 0.000 2.043 918 F HA 0.076 4.602 4.527 -0.001 0.000 0.297 918 F C 1.859 177.636 175.800 -0.038 0.000 1.121 918 F CA 0.723 58.702 58.000 -0.035 0.000 1.199 918 F CB -0.420 38.570 39.000 -0.018 0.000 0.968 918 F HN 0.055 nan 8.300 nan 0.000 0.478 919 R N -0.292 120.299 120.500 0.152 0.000 2.583 919 R HA 0.219 4.558 4.340 -0.001 0.000 0.268 919 R C 1.695 177.997 176.300 0.003 0.000 1.101 919 R CA 0.325 56.458 56.100 0.056 0.000 1.180 919 R CB 0.520 30.847 30.300 0.045 0.000 1.128 919 R HN 0.317 nan 8.270 nan 0.000 0.568 920 G N 2.404 111.195 108.800 -0.014 0.000 2.505 920 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.220 920 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.220 920 G C 0.622 175.490 174.900 -0.053 0.000 1.145 920 G CA 0.355 45.435 45.100 -0.034 0.000 0.761 920 G HN 0.515 nan 8.290 nan 0.000 0.571 921 L N 0.425 121.616 121.223 -0.053 0.000 3.127 921 L HA -0.078 4.261 4.340 -0.001 0.000 0.373 921 L C 0.941 177.727 176.870 -0.141 0.000 1.223 921 L CA 0.556 55.347 54.840 -0.081 0.000 0.806 921 L CB -0.216 41.798 42.059 -0.075 0.000 1.070 921 L HN 0.220 nan 8.230 nan 0.000 0.630 922 T N 1.530 115.997 114.554 -0.145 0.000 2.927 922 T HA 0.216 4.565 4.350 -0.001 0.000 0.286 922 T C -0.042 174.495 174.700 -0.270 0.000 1.040 922 T CA -0.850 61.135 62.100 -0.193 0.000 1.010 922 T CB 1.429 70.235 68.868 -0.103 0.000 1.177 922 T HN 0.655 nan 8.240 nan 0.000 0.546 923 N N 2.832 121.350 118.700 -0.303 0.000 2.448 923 N HA 0.185 4.924 4.740 -0.001 0.000 0.250 923 N C -1.007 174.533 175.510 0.051 0.000 1.136 923 N CA -0.207 52.701 53.050 -0.237 0.000 0.953 923 N CB -0.173 38.131 38.487 -0.305 0.000 1.251 923 N HN 0.730 nan 8.380 nan 0.000 0.502 924 D N 0.230 120.726 120.400 0.161 0.000 2.714 924 D HA 0.209 4.848 4.640 -0.001 0.000 0.278 924 D C 1.414 177.795 176.300 0.135 0.000 1.102 924 D CA -0.762 53.324 54.000 0.143 0.000 1.108 924 D CB 0.304 41.155 40.800 0.086 0.000 1.444 924 D HN -0.034 nan 8.370 nan 0.000 0.568 925 V N -0.664 119.234 119.914 -0.026 0.000 2.233 925 V HA -0.377 3.742 4.120 -0.001 0.000 0.252 925 V C 2.130 178.052 176.094 -0.288 0.000 1.063 925 V CA 2.038 64.186 62.300 -0.253 0.000 1.032 925 V CB -1.234 30.202 31.823 -0.645 0.000 0.645 925 V HN 0.560 nan 8.190 nan 0.000 0.446 926 Y N -0.918 119.247 120.300 -0.225 0.000 2.165 926 Y HA -0.265 4.284 4.550 -0.001 0.000 0.286 926 Y C 2.341 178.161 175.900 -0.132 0.000 1.155 926 Y CA 2.204 60.150 58.100 -0.256 0.000 1.164 926 Y CB -0.681 37.607 38.460 -0.286 0.000 0.978 926 Y HN 0.260 nan 8.280 nan 0.000 0.513 927 F N 1.099 121.067 119.950 0.030 0.000 2.095 927 F HA -0.268 4.258 4.527 -0.001 0.000 0.298 927 F C 2.344 178.162 175.800 0.029 0.000 1.104 927 F CA 1.830 59.837 58.000 0.012 0.000 1.232 927 F CB -0.746 38.253 39.000 -0.002 0.000 0.987 927 F HN 0.008 nan 8.300 nan 0.000 0.475 928 Q N 0.414 120.206 119.800 -0.014 0.000 1.956 928 Q HA -0.188 4.151 4.340 -0.001 0.000 0.208 928 Q C 2.281 178.184 176.000 -0.162 0.000 0.998 928 Q CA 3.042 58.832 55.803 -0.021 0.000 0.855 928 Q CB -0.920 27.953 28.738 0.226 0.000 0.928 928 Q HN 0.314 nan 8.270 nan 0.000 0.418 929 V N 0.161 119.911 119.914 -0.272 0.000 2.236 929 V HA -0.395 3.725 4.120 -0.001 0.000 0.255 929 V C 2.143 178.080 176.094 -0.261 0.000 1.068 929 V CA 2.253 64.191 62.300 -0.603 0.000 1.044 929 V CB -1.628 29.663 31.823 -0.888 0.000 0.653 929 V HN 0.706 nan 8.190 nan 0.000 0.448 930 G N -1.015 107.669 108.800 -0.193 0.000 2.469 930 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.219 930 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.219 930 G C 1.585 176.396 174.900 -0.149 0.000 1.150 930 G CA 1.158 46.197 45.100 -0.103 0.000 0.763 930 G HN 0.456 nan 8.290 nan 0.000 0.561 931 L N -0.358 120.674 121.223 -0.319 0.000 1.989 931 L HA -0.125 4.214 4.340 -0.001 0.000 0.211 931 L C 2.996 179.797 176.870 -0.116 0.000 1.071 931 L CA 1.030 55.711 54.840 -0.265 0.000 0.749 931 L CB -0.427 41.453 42.059 -0.297 0.000 0.890 931 L HN 0.246 nan 8.230 nan 0.000 0.431 932 L N -0.879 120.256 121.223 -0.147 0.000 1.955 932 L HA -0.288 4.051 4.340 -0.001 0.000 0.213 932 L C 2.714 179.421 176.870 -0.272 0.000 1.072 932 L CA 2.290 56.969 54.840 -0.269 0.000 0.755 932 L CB -1.203 40.582 42.059 -0.457 0.000 0.888 932 L HN 0.305 nan 8.230 nan 0.000 0.432 933 T N -1.513 112.948 114.554 -0.155 0.000 2.721 933 T HA -0.267 4.082 4.350 -0.001 0.000 0.268 933 T C 1.820 176.598 174.700 0.131 0.000 1.038 933 T CA 2.374 64.585 62.100 0.186 0.000 1.145 933 T CB -0.367 68.756 68.868 0.425 0.000 0.858 933 T HN 0.421 nan 8.240 nan 0.000 0.459 934 T N 1.558 116.158 114.554 0.077 0.000 2.788 934 T HA 0.053 4.402 4.350 -0.001 0.000 0.268 934 T C 1.855 176.590 174.700 0.058 0.000 1.044 934 T CA 1.440 63.591 62.100 0.085 0.000 1.139 934 T CB -0.327 68.565 68.868 0.040 0.000 0.867 934 T HN 0.452 nan 8.240 nan 0.000 0.454 935 I N 1.089 121.668 120.570 0.016 0.000 2.315 935 I HA -0.089 4.080 4.170 -0.001 0.000 0.248 935 I C 2.830 178.965 176.117 0.031 0.000 1.117 935 I CA 1.135 62.443 61.300 0.014 0.000 1.404 935 I CB -0.701 37.291 38.000 -0.014 0.000 1.071 935 I HN 0.303 nan 8.210 nan 0.000 0.419 936 G N 1.309 110.134 108.800 0.042 0.000 2.453 936 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.215 936 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.215 936 G C 1.650 176.593 174.900 0.072 0.000 1.201 936 G CA 0.649 45.803 45.100 0.091 0.000 0.784 936 G HN 0.260 nan 8.290 nan 0.000 0.545 937 L N 1.058 122.325 121.223 0.073 0.000 2.043 937 L HA -0.166 4.174 4.340 -0.001 0.000 0.212 937 L C 3.241 180.146 176.870 0.058 0.000 1.075 937 L CA 1.473 56.343 54.840 0.050 0.000 0.752 937 L CB -0.537 41.572 42.059 0.083 0.000 0.891 937 L HN 0.195 nan 8.230 nan 0.000 0.432 938 S N 0.173 115.915 115.700 0.070 0.000 2.363 938 S HA -0.262 4.207 4.470 -0.001 0.000 0.218 938 S C 2.261 176.901 174.600 0.067 0.000 1.035 938 S CA 1.333 59.578 58.200 0.074 0.000 1.043 938 S CB -0.718 62.525 63.200 0.073 0.000 0.986 938 S HN 0.505 nan 8.310 nan 0.000 0.423 939 A N 1.692 124.544 122.820 0.054 0.000 1.958 939 A HA -0.239 4.080 4.320 -0.001 0.000 0.221 939 A C 1.998 179.603 177.584 0.035 0.000 1.178 939 A CA 2.207 54.269 52.037 0.042 0.000 0.642 939 A CB -0.655 18.364 19.000 0.032 0.000 0.816 939 A HN 0.365 nan 8.150 nan 0.000 0.453 940 K N 0.346 120.763 120.400 0.028 0.000 1.969 940 K HA -0.184 4.135 4.320 -0.001 0.000 0.223 940 K C 1.854 178.455 176.600 0.001 0.000 1.048 940 K CA 2.048 58.338 56.287 0.006 0.000 0.983 940 K CB -0.449 32.048 32.500 -0.004 0.000 0.738 940 K HN 0.496 nan 8.250 nan 0.000 0.446 941 N N 0.402 119.110 118.700 0.013 0.000 2.049 941 N HA -0.266 4.473 4.740 -0.001 0.000 0.198 941 N C 1.685 177.210 175.510 0.026 0.000 1.030 941 N CA 1.855 54.914 53.050 0.015 0.000 0.870 941 N CB -0.888 37.620 38.487 0.035 0.000 1.045 941 N HN 0.382 nan 8.380 nan 0.000 0.434 942 A N 1.570 124.428 122.820 0.064 0.000 1.859 942 A HA -0.178 4.142 4.320 -0.001 0.000 0.217 942 A C 2.442 180.061 177.584 0.058 0.000 1.198 942 A CA 1.511 53.607 52.037 0.098 0.000 0.629 942 A CB -1.013 18.066 19.000 0.131 0.000 0.830 942 A HN 0.270 nan 8.150 nan 0.000 0.446 943 I N -0.347 120.252 120.570 0.048 0.000 2.068 943 I HA -0.361 3.808 4.170 -0.001 0.000 0.238 943 I C 2.551 178.653 176.117 -0.025 0.000 1.046 943 I CA 1.917 63.260 61.300 0.072 0.000 1.306 943 I CB -0.433 37.599 38.000 0.053 0.000 1.023 943 I HN 0.379 nan 8.210 nan 0.000 0.399 944 L N 0.194 121.330 121.223 -0.144 0.000 1.990 944 L HA -0.299 4.040 4.340 -0.001 0.000 0.213 944 L C 2.517 179.183 176.870 -0.340 0.000 1.072 944 L CA 1.727 56.329 54.840 -0.397 0.000 0.755 944 L CB -0.701 41.126 42.059 -0.387 0.000 0.889 944 L HN 0.279 nan 8.230 nan 0.000 0.432 945 I N -0.657 119.839 120.570 -0.123 0.000 2.069 945 I HA -0.343 3.827 4.170 -0.001 0.000 0.237 945 I C 2.558 178.572 176.117 -0.172 0.000 1.053 945 I CA 1.667 62.937 61.300 -0.050 0.000 1.311 945 I CB -0.500 37.496 38.000 -0.008 0.000 1.030 945 I HN 0.048 nan 8.210 nan 0.000 0.398 946 V N 0.816 120.603 119.914 -0.211 0.000 2.252 946 V HA -0.335 3.784 4.120 -0.001 0.000 0.249 946 V C 2.529 178.468 176.094 -0.258 0.000 1.056 946 V CA 2.413 64.484 62.300 -0.382 0.000 1.022 946 V CB -0.763 31.076 31.823 0.027 0.000 0.641 946 V HN 0.481 nan 8.190 nan 0.000 0.445 947 E N 0.507 120.611 120.200 -0.160 0.000 2.021 947 E HA -0.250 4.099 4.350 -0.001 0.000 0.200 947 E C 1.987 178.525 176.600 -0.104 0.000 1.015 947 E CA 2.118 58.380 56.400 -0.230 0.000 0.824 947 E CB -0.699 28.828 29.700 -0.288 0.000 0.762 947 E HN 0.574 nan 8.360 nan 0.000 0.454 948 F N 0.352 120.241 119.950 -0.101 0.000 2.154 948 F HA -0.279 4.247 4.527 -0.001 0.000 0.301 948 F C 2.388 178.137 175.800 -0.085 0.000 1.087 948 F CA 0.417 58.370 58.000 -0.079 0.000 1.274 948 F CB -0.381 38.583 39.000 -0.059 0.000 1.009 948 F HN 0.210 nan 8.300 nan 0.000 0.485 949 A N 0.254 123.104 122.820 0.050 0.000 1.851 949 A HA -0.278 4.041 4.320 -0.001 0.000 0.216 949 A C 2.088 179.715 177.584 0.070 0.000 1.195 949 A CA 2.090 54.119 52.037 -0.013 0.000 0.622 949 A CB -0.862 17.943 19.000 -0.326 0.000 0.831 949 A HN 0.317 nan 8.150 nan 0.000 0.444 950 K N -0.346 120.083 120.400 0.049 0.000 2.000 950 K HA -0.271 4.049 4.320 -0.001 0.000 0.218 950 K C 1.678 178.299 176.600 0.035 0.000 1.053 950 K CA 2.259 58.586 56.287 0.067 0.000 0.946 950 K CB -0.428 32.047 32.500 -0.041 0.000 0.723 950 K HN 0.483 nan 8.250 nan 0.000 0.446 951 D N 0.386 120.798 120.400 0.020 0.000 2.127 951 D HA -0.206 4.433 4.640 -0.001 0.000 0.190 951 D C 1.449 177.767 176.300 0.030 0.000 1.000 951 D CA 1.308 55.324 54.000 0.027 0.000 0.839 951 D CB -0.228 40.610 40.800 0.063 0.000 0.955 951 D HN 0.094 nan 8.370 nan 0.000 0.446 952 L N -0.395 120.853 121.223 0.041 0.000 2.814 952 L HA -0.018 4.321 4.340 -0.001 0.000 0.248 952 L C 1.583 178.472 176.870 0.032 0.000 1.169 952 L CA 1.129 55.983 54.840 0.025 0.000 0.872 952 L CB -0.519 41.552 42.059 0.019 0.000 1.029 952 L HN 0.184 nan 8.230 nan 0.000 0.452 953 M N -2.668 116.955 119.600 0.039 0.000 2.583 953 M HA 0.055 4.534 4.480 -0.001 0.000 0.217 953 M C 1.256 177.569 176.300 0.022 0.000 1.655 953 M CA 0.283 55.608 55.300 0.041 0.000 1.114 953 M CB 0.379 33.024 32.600 0.075 0.000 1.384 953 M HN -0.002 nan 8.290 nan 0.000 0.562 954 D N 0.969 121.379 120.400 0.016 0.000 2.085 954 D HA -0.111 4.529 4.640 -0.001 0.000 0.199 954 D C 1.682 177.979 176.300 -0.004 0.000 0.981 954 D CA 1.270 55.270 54.000 0.000 0.000 0.834 954 D CB -0.203 40.590 40.800 -0.012 0.000 0.992 954 D HN 0.283 nan 8.370 nan 0.000 0.457 955 K N 0.284 120.682 120.400 -0.003 0.000 2.103 955 K HA -0.007 4.312 4.320 -0.001 0.000 0.204 955 K C 0.934 177.532 176.600 -0.004 0.000 1.052 955 K CA 0.664 56.948 56.287 -0.005 0.000 0.945 955 K CB 0.241 32.739 32.500 -0.003 0.000 0.722 955 K HN 0.211 nan 8.250 nan 0.000 0.443 956 E N -0.417 119.783 120.200 -0.001 0.000 2.302 956 E HA 0.182 4.531 4.350 -0.001 0.000 0.255 956 E C 0.833 177.432 176.600 -0.002 0.000 1.099 956 E CA -0.302 56.096 56.400 -0.004 0.000 0.929 956 E CB 0.607 30.303 29.700 -0.006 0.000 1.203 956 E HN 0.097 nan 8.360 nan 0.000 0.459 957 G N 1.083 109.880 108.800 -0.004 0.000 2.272 957 G HA2 -0.155 3.804 3.960 -0.001 0.000 0.157 957 G HA3 -0.155 3.804 3.960 -0.001 0.000 0.157 957 G C 0.536 175.437 174.900 0.002 0.000 1.677 957 G CA 0.127 45.225 45.100 -0.003 0.000 0.982 957 G HN 0.265 nan 8.290 nan 0.000 0.382 958 K N -0.007 120.394 120.400 0.002 0.000 2.171 958 K HA 0.222 4.541 4.320 -0.001 0.000 0.248 958 K C 0.803 177.412 176.600 0.016 0.000 1.068 958 K CA 0.991 57.282 56.287 0.006 0.000 0.777 958 K CB -0.546 31.956 32.500 0.003 0.000 1.061 958 K HN 0.696 nan 8.250 nan 0.000 0.535 959 G N -1.690 107.123 108.800 0.022 0.000 3.183 959 G HA2 0.284 4.243 3.960 -0.001 0.000 0.140 959 G HA3 0.284 4.243 3.960 -0.001 0.000 0.140 959 G C -0.402 174.524 174.900 0.043 0.000 1.209 959 G CA -0.056 45.069 45.100 0.041 0.000 1.438 959 G HN 0.432 nan 8.290 nan 0.000 0.700 960 L N -0.155 121.093 121.223 0.041 0.000 6.032 960 L HA -0.275 4.064 4.340 -0.001 0.000 0.053 960 L C 1.696 178.598 176.870 0.053 0.000 2.286 960 L CA 2.572 57.429 54.840 0.029 0.000 1.682 960 L CB -1.174 40.891 42.059 0.011 0.000 2.737 960 L HN 0.940 nan 8.230 nan 0.000 0.986 961 I N -1.778 118.813 120.570 0.034 0.000 3.771 961 I HA 0.223 4.392 4.170 -0.001 0.000 0.327 961 I C 1.180 177.314 176.117 0.027 0.000 1.435 961 I CA 0.647 61.970 61.300 0.038 0.000 1.259 961 I CB -0.120 37.888 38.000 0.015 0.000 1.292 961 I HN 0.635 nan 8.210 nan 0.000 0.429 962 E N 1.475 121.696 120.200 0.034 0.000 2.399 962 E HA 0.147 4.496 4.350 -0.001 0.000 0.206 962 E C 2.100 178.716 176.600 0.025 0.000 0.812 962 E CA 0.744 57.154 56.400 0.018 0.000 1.138 962 E CB 0.306 30.012 29.700 0.010 0.000 1.140 962 E HN 0.528 nan 8.360 nan 0.000 0.536 963 A N 1.213 124.063 122.820 0.051 0.000 1.828 963 A HA -0.190 4.129 4.320 -0.001 0.000 0.215 963 A C 2.339 179.955 177.584 0.054 0.000 1.203 963 A CA 2.671 54.742 52.037 0.057 0.000 0.614 963 A CB -1.492 17.567 19.000 0.098 0.000 0.844 963 A HN 0.401 nan 8.150 nan 0.000 0.445 964 T N -0.032 114.579 114.554 0.094 0.000 2.736 964 T HA -0.261 4.088 4.350 -0.001 0.000 0.265 964 T C 1.620 176.332 174.700 0.021 0.000 1.031 964 T CA 1.829 63.970 62.100 0.068 0.000 1.155 964 T CB -0.519 68.428 68.868 0.131 0.000 0.849 964 T HN 0.155 nan 8.240 nan 0.000 0.471 965 L N 1.458 122.685 121.223 0.006 0.000 1.993 965 L HA 0.052 4.392 4.340 -0.001 0.000 0.206 965 L C 2.412 179.267 176.870 -0.024 0.000 1.074 965 L CA 1.702 56.524 54.840 -0.029 0.000 0.746 965 L CB -1.153 40.885 42.059 -0.035 0.000 0.896 965 L HN 0.106 nan 8.230 nan 0.000 0.435 966 D N -0.202 120.185 120.400 -0.021 0.000 2.133 966 D HA -0.219 4.420 4.640 -0.001 0.000 0.192 966 D C 2.119 178.399 176.300 -0.032 0.000 1.001 966 D CA 1.532 55.511 54.000 -0.034 0.000 0.844 966 D CB -0.331 40.447 40.800 -0.038 0.000 0.944 966 D HN 0.337 nan 8.370 nan 0.000 0.447 967 A N 0.655 123.472 122.820 -0.006 0.000 1.849 967 A HA -0.241 4.078 4.320 -0.001 0.000 0.216 967 A C 2.563 180.180 177.584 0.055 0.000 1.225 967 A CA 2.231 54.287 52.037 0.032 0.000 0.653 967 A CB -1.206 17.824 19.000 0.050 0.000 0.844 967 A HN 0.116 nan 8.150 nan 0.000 0.453 968 V N 0.918 120.867 119.914 0.059 0.000 2.236 968 V HA -0.405 3.714 4.120 -0.001 0.000 0.255 968 V C 2.780 178.951 176.094 0.129 0.000 1.068 968 V CA 2.998 65.362 62.300 0.106 0.000 1.044 968 V CB -0.971 30.877 31.823 0.040 0.000 0.653 968 V HN 0.784 nan 8.190 nan 0.000 0.448 969 R N 0.806 121.338 120.500 0.052 0.000 2.154 969 R HA -0.231 4.108 4.340 -0.001 0.000 0.248 969 R C 1.829 178.158 176.300 0.048 0.000 1.155 969 R CA 2.477 58.606 56.100 0.049 0.000 0.979 969 R CB -0.313 29.982 30.300 -0.008 0.000 0.869 969 R HN 0.714 nan 8.270 nan 0.000 0.452 970 M N -0.235 119.373 119.600 0.014 0.000 2.738 970 M HA 0.321 4.800 4.480 -0.001 0.000 0.295 970 M C -0.285 176.028 176.300 0.023 0.000 1.266 970 M CA -0.162 55.120 55.300 -0.030 0.000 0.985 970 M CB 0.837 33.342 32.600 -0.159 0.000 1.365 970 M HN 0.047 nan 8.290 nan 0.000 0.492 971 R N -1.314 119.255 120.500 0.115 0.000 2.478 971 R HA 0.263 4.602 4.340 -0.001 0.000 0.377 971 R C 0.892 177.261 176.300 0.115 0.000 0.853 971 R CA -0.435 55.769 56.100 0.174 0.000 1.113 971 R CB -0.801 29.681 30.300 0.303 0.000 1.725 971 R HN 0.338 nan 8.270 nan 0.000 0.524 972 L N 0.811 122.096 121.223 0.104 0.000 2.209 972 L HA 0.227 4.566 4.340 -0.001 0.000 0.207 972 L C 2.037 178.961 176.870 0.091 0.000 1.094 972 L CA 1.644 56.505 54.840 0.035 0.000 0.790 972 L CB -0.208 41.842 42.059 -0.016 0.000 0.932 972 L HN 0.433 nan 8.230 nan 0.000 0.447 973 R N 0.745 121.350 120.500 0.174 0.000 2.070 973 R HA -0.097 4.242 4.340 -0.001 0.000 0.232 973 R C -0.407 175.841 176.300 -0.087 0.000 1.138 973 R CA 1.833 58.029 56.100 0.160 0.000 0.936 973 R CB -1.206 29.197 30.300 0.172 0.000 0.839 973 R HN 0.292 nan 8.270 nan 0.000 0.429 974 P HA -0.175 nan 4.420 nan 0.000 0.213 974 P C 1.598 178.849 177.300 -0.081 0.000 1.170 974 P CA 1.562 64.618 63.100 -0.074 0.000 0.898 974 P CB -0.242 31.465 31.700 0.011 0.000 0.787 975 I N -1.080 119.473 120.570 -0.028 0.000 2.145 975 I HA -0.276 3.893 4.170 -0.001 0.000 0.244 975 I C 2.588 178.672 176.117 -0.054 0.000 1.075 975 I CA 1.359 62.640 61.300 -0.030 0.000 1.332 975 I CB -0.911 37.077 38.000 -0.019 0.000 1.033 975 I HN -0.093 nan 8.210 nan 0.000 0.410 976 L N -0.205 120.975 121.223 -0.072 0.000 2.093 976 L HA -0.178 4.161 4.340 -0.001 0.000 0.208 976 L C 2.474 179.239 176.870 -0.175 0.000 1.085 976 L CA 1.842 56.645 54.840 -0.062 0.000 0.755 976 L CB -0.457 41.634 42.059 0.054 0.000 0.904 976 L HN 0.180 nan 8.230 nan 0.000 0.435 977 M N -1.969 117.389 119.600 -0.405 0.000 2.064 977 M HA -0.184 4.296 4.480 -0.001 0.000 0.260 977 M C 2.118 178.311 176.300 -0.179 0.000 1.073 977 M CA 2.163 57.154 55.300 -0.515 0.000 1.124 977 M CB -0.763 31.462 32.600 -0.626 0.000 1.326 977 M HN 0.169 nan 8.290 nan 0.000 0.410 978 T N -0.026 114.457 114.554 -0.118 0.000 2.635 978 T HA -0.208 4.141 4.350 -0.001 0.000 0.267 978 T C 1.965 176.700 174.700 0.058 0.000 1.040 978 T CA 2.053 64.136 62.100 -0.028 0.000 1.156 978 T CB -0.571 68.278 68.868 -0.032 0.000 0.863 978 T HN 0.389 nan 8.240 nan 0.000 0.430 979 S N 0.617 116.347 115.700 0.049 0.000 2.359 979 S HA -0.103 4.366 4.470 -0.001 0.000 0.224 979 S C 2.007 176.669 174.600 0.105 0.000 1.035 979 S CA 1.204 59.469 58.200 0.109 0.000 1.018 979 S CB -0.539 62.699 63.200 0.062 0.000 0.876 979 S HN 0.318 nan 8.310 nan 0.000 0.448 980 L N 1.676 122.940 121.223 0.067 0.000 1.994 980 L HA 0.069 4.408 4.340 -0.001 0.000 0.208 980 L C 2.560 179.488 176.870 0.097 0.000 1.071 980 L CA 2.079 56.975 54.840 0.094 0.000 0.745 980 L CB -1.255 40.898 42.059 0.157 0.000 0.892 980 L HN 0.348 nan 8.230 nan 0.000 0.431 981 A N -0.559 122.318 122.820 0.095 0.000 1.859 981 A HA -0.343 3.976 4.320 -0.001 0.000 0.218 981 A C 2.278 179.959 177.584 0.162 0.000 1.209 981 A CA 2.336 54.441 52.037 0.114 0.000 0.639 981 A CB -1.484 17.569 19.000 0.088 0.000 0.835 981 A HN 0.520 nan 8.150 nan 0.000 0.450 982 F N 0.933 120.893 119.950 0.018 0.000 2.065 982 F HA -0.217 4.309 4.527 -0.001 0.000 0.298 982 F C 2.128 177.946 175.800 0.031 0.000 1.112 982 F CA 1.645 59.659 58.000 0.024 0.000 1.212 982 F CB -0.636 38.375 39.000 0.019 0.000 0.975 982 F HN 0.239 nan 8.300 nan 0.000 0.476 983 I N -0.367 120.120 120.570 -0.137 0.000 2.264 983 I HA -0.339 3.830 4.170 -0.001 0.000 0.248 983 I C 2.453 178.490 176.117 -0.133 0.000 1.111 983 I CA 1.393 62.563 61.300 -0.216 0.000 1.382 983 I CB -0.690 37.263 38.000 -0.079 0.000 1.060 983 I HN 0.195 nan 8.210 nan 0.000 0.418 984 L N 0.377 121.579 121.223 -0.035 0.000 2.179 984 L HA -0.019 4.321 4.340 -0.001 0.000 0.208 984 L C 2.621 179.492 176.870 0.002 0.000 1.096 984 L CA 1.195 56.034 54.840 -0.001 0.000 0.779 984 L CB -0.729 41.355 42.059 0.042 0.000 0.922 984 L HN 0.266 nan 8.230 nan 0.000 0.443 985 G N -1.103 107.712 108.800 0.026 0.000 2.471 985 G HA2 -0.135 3.824 3.960 -0.001 0.000 0.219 985 G HA3 -0.135 3.824 3.960 -0.001 0.000 0.219 985 G C 1.437 176.352 174.900 0.025 0.000 1.125 985 G CA 0.561 45.701 45.100 0.067 0.000 0.775 985 G HN 0.214 nan 8.290 nan 0.000 0.548 986 V N 0.215 120.073 119.914 -0.092 0.000 3.471 986 V HA 0.050 4.169 4.120 -0.001 0.000 0.258 986 V C 2.409 178.457 176.094 -0.076 0.000 1.192 986 V CA 1.119 63.350 62.300 -0.115 0.000 1.116 986 V CB 0.334 31.954 31.823 -0.338 0.000 0.792 986 V HN 0.348 nan 8.190 nan 0.000 0.459 987 M N 1.785 121.343 119.600 -0.070 0.000 2.147 987 M HA -0.168 4.311 4.480 -0.001 0.000 0.253 987 M C -0.207 176.080 176.300 -0.023 0.000 1.075 987 M CA 2.692 57.967 55.300 -0.042 0.000 1.085 987 M CB -1.510 31.075 32.600 -0.024 0.000 1.305 987 M HN 0.225 nan 8.290 nan 0.000 0.409 988 P HA -0.228 nan 4.420 nan 0.000 0.213 988 P C 1.849 179.144 177.300 -0.008 0.000 1.176 988 P CA 2.052 65.145 63.100 -0.011 0.000 0.919 988 P CB -0.441 31.253 31.700 -0.011 0.000 0.791 989 L N -0.599 120.625 121.223 0.002 0.000 2.010 989 L HA -0.202 4.137 4.340 -0.001 0.000 0.219 989 L C 2.673 179.544 176.870 0.001 0.000 1.077 989 L CA 1.957 56.808 54.840 0.019 0.000 0.773 989 L CB -1.637 40.452 42.059 0.050 0.000 0.892 989 L HN -0.143 nan 8.230 nan 0.000 0.436 990 V N -0.605 119.302 119.914 -0.012 0.000 2.828 990 V HA -0.175 3.944 4.120 -0.001 0.000 0.260 990 V C 1.207 177.296 176.094 -0.008 0.000 1.101 990 V CA 1.159 63.449 62.300 -0.016 0.000 1.123 990 V CB -0.848 30.961 31.823 -0.024 0.000 0.704 990 V HN 0.394 nan 8.190 nan 0.000 0.493 991 I N 0.228 120.794 120.570 -0.007 0.000 2.778 991 I HA 0.495 4.665 4.170 -0.001 0.000 0.285 991 I C -0.049 176.066 176.117 -0.003 0.000 1.236 991 I CA 0.304 61.603 61.300 -0.003 0.000 1.089 991 I CB 0.722 38.720 38.000 -0.003 0.000 1.601 991 I HN 0.092 nan 8.210 nan 0.000 0.573 992 S N 2.053 117.752 115.700 -0.001 0.000 2.720 992 S HA 0.889 5.358 4.470 -0.001 0.000 0.287 992 S C -0.540 174.064 174.600 0.007 0.000 1.168 992 S CA -0.223 57.974 58.200 -0.004 0.000 0.832 992 S CB 2.147 65.338 63.200 -0.015 0.000 1.166 992 S HN 0.467 nan 8.310 nan 0.000 0.493 993 T N -0.551 114.008 114.554 0.007 0.000 2.739 993 T HA 0.661 5.010 4.350 -0.001 0.000 0.303 993 T C 0.824 175.543 174.700 0.032 0.000 1.389 993 T CA -0.096 62.023 62.100 0.032 0.000 1.001 993 T CB 0.482 69.378 68.868 0.047 0.000 1.436 993 T HN 1.737 nan 8.240 nan 0.000 0.500 994 G N 0.838 109.695 108.800 0.094 0.000 4.236 994 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.222 994 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.222 994 G C 0.981 175.874 174.900 -0.012 0.000 1.354 994 G CA 0.882 46.069 45.100 0.145 0.000 0.966 994 G HN 1.607 nan 8.290 nan 0.000 0.624 995 A N 0.210 122.901 122.820 -0.215 0.000 2.847 995 A HA 0.544 4.863 4.320 -0.001 0.000 0.194 995 A C 2.091 179.582 177.584 -0.155 0.000 1.893 995 A CA 1.647 53.435 52.037 -0.414 0.000 0.983 995 A CB -0.808 17.969 19.000 -0.371 0.000 1.762 995 A HN 1.952 nan 8.150 nan 0.000 0.802 996 G N -0.568 108.121 108.800 -0.185 0.000 3.474 996 G HA2 0.291 4.251 3.960 -0.001 0.000 0.269 996 G HA3 0.291 4.251 3.960 -0.001 0.000 0.269 996 G C 1.100 176.046 174.900 0.077 0.000 1.339 996 G CA 0.853 45.974 45.100 0.035 0.000 1.258 996 G HN 0.950 nan 8.290 nan 0.000 0.560 997 S N -0.485 115.238 115.700 0.038 0.000 2.400 997 S HA -0.085 4.384 4.470 -0.001 0.000 0.232 997 S C 2.466 177.072 174.600 0.011 0.000 1.025 997 S CA 1.280 59.495 58.200 0.027 0.000 0.993 997 S CB -0.455 62.759 63.200 0.024 0.000 0.808 997 S HN 0.407 nan 8.310 nan 0.000 0.478 998 G N 1.998 110.825 108.800 0.044 0.000 2.529 998 G HA2 -0.146 3.813 3.960 -0.001 0.000 0.219 998 G HA3 -0.146 3.813 3.960 -0.001 0.000 0.219 998 G C 1.686 176.509 174.900 -0.129 0.000 1.177 998 G CA 1.461 46.564 45.100 0.005 0.000 0.773 998 G HN 0.856 nan 8.290 nan 0.000 0.573 999 A N -0.068 122.624 122.820 -0.214 0.000 1.854 999 A HA -0.022 4.297 4.320 -0.001 0.000 0.214 999 A C 2.323 179.488 177.584 -0.699 0.000 1.192 999 A CA 1.883 53.475 52.037 -0.741 0.000 0.611 999 A CB -0.627 17.826 19.000 -0.912 0.000 0.832 999 A HN 0.435 nan 8.150 nan 0.000 0.442 1000 Q N -0.095 119.566 119.800 -0.231 0.000 2.182 1000 Q HA -0.292 4.047 4.340 -0.001 0.000 0.213 1000 Q C 1.955 177.897 176.000 -0.096 0.000 1.000 1000 Q CA 2.133 57.945 55.803 0.016 0.000 0.889 1000 Q CB -0.455 28.372 28.738 0.148 0.000 0.932 1000 Q HN 0.814 nan 8.270 nan 0.000 0.415 1001 N N -0.048 118.585 118.700 -0.112 0.000 2.062 1001 N HA -0.143 4.596 4.740 -0.001 0.000 0.191 1001 N C 1.871 177.315 175.510 -0.110 0.000 1.042 1001 N CA 0.753 53.755 53.050 -0.079 0.000 0.845 1001 N CB -0.235 38.218 38.487 -0.056 0.000 1.024 1001 N HN 0.217 nan 8.380 nan 0.000 0.424 1002 A N 1.437 124.149 122.820 -0.181 0.000 1.870 1002 A HA -0.225 4.094 4.320 -0.001 0.000 0.219 1002 A C 2.382 179.894 177.584 -0.120 0.000 1.224 1002 A CA 1.972 53.916 52.037 -0.155 0.000 0.650 1002 A CB -1.324 17.512 19.000 -0.274 0.000 0.836 1002 A HN 0.117 nan 8.150 nan 0.000 0.454 1003 V N -0.283 119.462 119.914 -0.283 0.000 2.239 1003 V HA -0.289 3.830 4.120 -0.001 0.000 0.246 1003 V C 2.868 178.939 176.094 -0.038 0.000 1.037 1003 V CA 2.548 64.753 62.300 -0.157 0.000 1.012 1003 V CB -1.837 29.849 31.823 -0.229 0.000 0.650 1003 V HN 0.712 nan 8.190 nan 0.000 0.467 1004 G N -0.897 107.886 108.800 -0.029 0.000 2.574 1004 G HA2 -0.352 3.607 3.960 -0.001 0.000 0.220 1004 G HA3 -0.352 3.607 3.960 -0.001 0.000 0.220 1004 G C 1.575 176.459 174.900 -0.026 0.000 1.173 1004 G CA 2.101 47.190 45.100 -0.020 0.000 0.772 1004 G HN 0.520 nan 8.290 nan 0.000 0.585 1005 T N 0.984 115.530 114.554 -0.013 0.000 2.505 1005 T HA -0.169 4.180 4.350 -0.001 0.000 0.259 1005 T C 2.473 177.194 174.700 0.035 0.000 1.158 1005 T CA 2.245 64.348 62.100 0.005 0.000 1.190 1005 T CB -1.119 67.758 68.868 0.015 0.000 0.864 1005 T HN 0.449 nan 8.240 nan 0.000 0.413 1006 G N 0.789 109.652 108.800 0.105 0.000 2.503 1006 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.221 1006 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.221 1006 G C 1.726 176.668 174.900 0.070 0.000 1.131 1006 G CA 1.184 46.387 45.100 0.173 0.000 0.756 1006 G HN 0.459 nan 8.290 nan 0.000 0.572 1007 V N 0.736 120.669 119.914 0.032 0.000 2.287 1007 V HA -0.263 3.857 4.120 -0.001 0.000 0.248 1007 V C 2.643 178.700 176.094 -0.062 0.000 1.053 1007 V CA 2.366 64.672 62.300 0.010 0.000 1.027 1007 V CB -0.466 31.357 31.823 -0.000 0.000 0.646 1007 V HN 0.516 nan 8.190 nan 0.000 0.447 1008 M N 0.129 119.667 119.600 -0.102 0.000 2.062 1008 M HA -0.040 4.439 4.480 -0.001 0.000 0.259 1008 M C 2.228 178.494 176.300 -0.056 0.000 1.076 1008 M CA 2.357 57.581 55.300 -0.126 0.000 1.122 1008 M CB -0.855 31.678 32.600 -0.112 0.000 1.312 1008 M HN 0.378 nan 8.290 nan 0.000 0.412 1009 G N -0.382 108.400 108.800 -0.030 0.000 2.681 1009 G HA2 -0.321 3.639 3.960 -0.001 0.000 0.220 1009 G HA3 -0.321 3.639 3.960 -0.001 0.000 0.220 1009 G C 1.392 176.290 174.900 -0.003 0.000 1.210 1009 G CA 1.359 46.446 45.100 -0.022 0.000 0.783 1009 G HN 0.649 nan 8.290 nan 0.000 0.609 1010 G N -0.138 108.678 108.800 0.028 0.000 2.440 1010 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.218 1010 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.218 1010 G C 1.833 176.758 174.900 0.041 0.000 1.154 1010 G CA 1.275 46.400 45.100 0.042 0.000 0.767 1010 G HN 0.295 nan 8.290 nan 0.000 0.552 1011 M N 0.373 119.996 119.600 0.038 0.000 2.159 1011 M HA -0.041 4.438 4.480 -0.001 0.000 0.263 1011 M C 2.725 179.047 176.300 0.038 0.000 1.063 1011 M CA 0.822 56.158 55.300 0.059 0.000 1.110 1011 M CB -0.638 31.984 32.600 0.036 0.000 1.374 1011 M HN 0.160 nan 8.290 nan 0.000 0.411 1012 V N -0.168 119.752 119.914 0.010 0.000 2.244 1012 V HA -0.224 3.895 4.120 -0.001 0.000 0.244 1012 V C 2.409 178.513 176.094 0.017 0.000 1.042 1012 V CA 2.252 64.558 62.300 0.010 0.000 1.006 1012 V CB -1.651 30.169 31.823 -0.004 0.000 0.641 1012 V HN 0.586 nan 8.190 nan 0.000 0.446 1013 T N -1.241 113.319 114.554 0.010 0.000 3.155 1013 T HA 0.055 4.404 4.350 -0.001 0.000 0.264 1013 T C 1.432 176.141 174.700 0.015 0.000 1.160 1013 T CA 1.235 63.342 62.100 0.011 0.000 1.075 1013 T CB -0.130 68.736 68.868 -0.003 0.000 0.921 1013 T HN 0.458 nan 8.240 nan 0.000 0.533 1014 A N 0.534 123.371 122.820 0.029 0.000 2.169 1014 A HA 0.292 4.611 4.320 -0.001 0.000 0.210 1014 A C 2.324 179.931 177.584 0.039 0.000 1.168 1014 A CA 0.710 52.773 52.037 0.043 0.000 0.813 1014 A CB -0.198 18.839 19.000 0.063 0.000 0.861 1014 A HN 0.534 nan 8.150 nan 0.000 0.481 1015 T N -0.711 113.858 114.554 0.025 0.000 3.021 1015 T HA 0.093 4.443 4.350 -0.001 0.000 0.245 1015 T C 0.621 175.291 174.700 -0.050 0.000 1.028 1015 T CA 0.850 62.948 62.100 -0.004 0.000 1.139 1015 T CB -0.007 68.864 68.868 0.004 0.000 0.884 1015 T HN 0.015 nan 8.240 nan 0.000 0.457 1016 V N 2.811 122.716 119.914 -0.015 0.000 2.096 1016 V HA 0.404 4.523 4.120 -0.001 0.000 0.259 1016 V C 0.207 176.353 176.094 0.088 0.000 1.420 1016 V CA 0.060 62.361 62.300 0.002 0.000 1.336 1016 V CB -0.020 31.843 31.823 0.067 0.000 1.394 1016 V HN 0.250 nan 8.190 nan 0.000 0.494 1017 L N 2.666 123.930 121.223 0.069 0.000 1.227 1017 L HA 0.162 4.502 4.340 -0.001 0.000 0.063 1017 L C 1.948 178.921 176.870 0.172 0.000 1.482 1017 L CA 1.589 56.526 54.840 0.161 0.000 1.145 1017 L CB -1.027 41.016 42.059 -0.028 0.000 2.336 1017 L HN 0.271 nan 8.230 nan 0.000 0.447 1018 A N -0.202 122.668 122.820 0.084 0.000 2.125 1018 A HA -0.064 4.255 4.320 -0.001 0.000 0.219 1018 A C 1.855 179.498 177.584 0.098 0.000 1.156 1018 A CA 1.840 53.967 52.037 0.150 0.000 0.671 1018 A CB -0.618 18.465 19.000 0.139 0.000 0.794 1018 A HN 0.421 nan 8.150 nan 0.000 0.459 1019 I N -2.447 118.095 120.570 -0.048 0.000 3.428 1019 I HA 0.112 4.281 4.170 -0.001 0.000 0.286 1019 I C 1.295 177.319 176.117 -0.155 0.000 1.287 1019 I CA 0.854 62.041 61.300 -0.190 0.000 1.396 1019 I CB -0.243 37.457 38.000 -0.500 0.000 1.062 1019 I HN 0.335 nan 8.210 nan 0.000 0.471 1020 F N -2.236 117.863 119.950 0.249 0.000 2.577 1020 F HA 0.128 4.654 4.527 -0.001 0.000 0.276 1020 F C 1.693 177.463 175.800 -0.049 0.000 1.032 1020 F CA -0.046 58.042 58.000 0.147 0.000 1.297 1020 F CB -0.251 38.864 39.000 0.191 0.000 1.061 1020 F HN -0.119 nan 8.300 nan 0.000 0.680 1021 F N 0.181 120.082 119.950 -0.081 0.000 2.187 1021 F HA -0.078 4.448 4.527 -0.001 0.000 0.295 1021 F C 2.274 177.499 175.800 -0.958 0.000 1.091 1021 F CA 0.512 58.162 58.000 -0.585 0.000 1.308 1021 F CB -1.233 37.365 39.000 -0.671 0.000 1.030 1021 F HN -0.303 nan 8.300 nan 0.000 0.487 1022 V N 1.256 121.038 119.914 -0.220 0.000 2.252 1022 V HA -0.266 3.853 4.120 -0.001 0.000 0.249 1022 V C -0.379 175.786 176.094 0.118 0.000 1.056 1022 V CA 2.304 64.696 62.300 0.153 0.000 1.022 1022 V CB -1.749 30.236 31.823 0.270 0.000 0.641 1022 V HN 0.159 nan 8.190 nan 0.000 0.445 1023 P HA -0.102 nan 4.420 nan 0.000 0.222 1023 P C 1.401 178.756 177.300 0.091 0.000 1.142 1023 P CA 1.165 64.313 63.100 0.080 0.000 0.788 1023 P CB 0.005 31.725 31.700 0.033 0.000 0.767 1024 V N -1.154 118.729 119.914 -0.051 0.000 2.502 1024 V HA -0.020 4.100 4.120 -0.001 0.000 0.234 1024 V C 1.248 177.389 176.094 0.078 0.000 1.072 1024 V CA 0.718 62.962 62.300 -0.093 0.000 1.094 1024 V CB -1.336 30.288 31.823 -0.333 0.000 0.761 1024 V HN -0.057 nan 8.190 nan 0.000 0.489 1025 F N 0.563 120.571 119.950 0.096 0.000 2.665 1025 F HA 0.386 4.912 4.527 -0.001 0.000 0.360 1025 F C 0.660 176.583 175.800 0.206 0.000 1.168 1025 F CA -1.071 56.980 58.000 0.084 0.000 1.366 1025 F CB -1.168 37.821 39.000 -0.017 0.000 1.592 1025 F HN 0.186 nan 8.300 nan 0.000 0.610 1026 F N -1.341 118.781 119.950 0.287 0.000 1.975 1026 F HA 0.176 4.702 4.527 -0.001 0.000 0.259 1026 F C 1.442 177.326 175.800 0.140 0.000 1.011 1026 F CA 0.382 58.514 58.000 0.221 0.000 1.196 1026 F CB -0.357 38.766 39.000 0.205 0.000 1.427 1026 F HN -0.193 nan 8.300 nan 0.000 0.669 1027 V N 1.339 121.272 119.914 0.032 0.000 2.219 1027 V HA -0.312 3.807 4.120 -0.001 0.000 0.248 1027 V C 2.323 178.347 176.094 -0.117 0.000 1.053 1027 V CA 2.469 64.702 62.300 -0.112 0.000 1.009 1027 V CB -0.906 30.941 31.823 0.039 0.000 0.636 1027 V HN 0.335 nan 8.190 nan 0.000 0.445 1028 V N -0.101 119.810 119.914 -0.006 0.000 2.278 1028 V HA -0.246 3.873 4.120 -0.001 0.000 0.251 1028 V C 1.875 177.977 176.094 0.014 0.000 1.062 1028 V CA 1.908 64.218 62.300 0.017 0.000 1.038 1028 V CB -0.659 31.203 31.823 0.065 0.000 0.646 1028 V HN 0.465 nan 8.190 nan 0.000 0.447 1029 V N 1.286 121.222 119.914 0.037 0.000 3.366 1029 V HA 0.017 4.136 4.120 -0.001 0.000 0.325 1029 V C 0.879 176.944 176.094 -0.048 0.000 1.168 1029 V CA 0.526 62.860 62.300 0.057 0.000 1.348 1029 V CB -1.474 30.437 31.823 0.147 0.000 1.069 1029 V HN 0.338 nan 8.190 nan 0.000 0.416 1030 R N 0.000 120.454 120.500 -0.077 0.000 2.786 1030 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 1030 R CA 0.000 56.040 56.100 -0.100 0.000 0.921 1030 R CB 0.000 30.217 30.300 -0.138 0.000 0.687 1030 R HN 0.000 nan 8.270 nan 0.000 0.535