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 2dr6_1_C 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 ALCATMLKXX DATA SEQUENCE XXXXXXXXXX XXFGWFNRMF 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 RRFSRK 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 0.000 176.438 176.300 0.230 0.000 1.140 1 M CA 0.000 55.327 55.300 0.044 0.000 0.988 1 M CB 0.000 32.672 32.600 0.119 0.000 1.302 2 P HA -0.093 nan 4.420 nan 0.000 0.216 2 P C 0.253 177.658 177.300 0.176 0.000 1.150 2 P CA 2.061 65.253 63.100 0.154 0.000 0.843 2 P CB -0.629 31.120 31.700 0.081 0.000 0.787 3 N N -0.855 117.912 118.700 0.112 0.000 2.188 3 N HA -0.085 4.655 4.740 -0.000 0.000 0.184 3 N C 1.884 177.498 175.510 0.174 0.000 1.018 3 N CA 0.587 53.693 53.050 0.095 0.000 0.858 3 N CB -0.734 37.762 38.487 0.014 0.000 0.989 3 N HN 0.122 nan 8.380 nan 0.000 0.426 4 F N 0.108 120.056 119.950 -0.002 0.000 2.069 4 F HA -0.211 4.316 4.527 -0.000 0.000 0.298 4 F C 1.408 177.059 175.800 -0.249 0.000 1.113 4 F CA 0.999 58.893 58.000 -0.176 0.000 1.214 4 F CB -0.000 38.856 39.000 -0.239 0.000 0.978 4 F HN 0.028 nan 8.300 nan 0.000 0.474 5 F N -0.861 119.200 119.950 0.184 0.000 2.446 5 F HA -0.000 4.527 4.527 -0.000 0.000 0.292 5 F C 1.994 177.856 175.800 0.104 0.000 1.096 5 F CA 0.264 58.332 58.000 0.114 0.000 1.438 5 F CB -0.670 38.422 39.000 0.154 0.000 1.107 5 F HN -0.154 nan 8.300 nan 0.000 0.546 6 I N 0.324 121.043 120.570 0.248 0.000 2.185 6 I HA -0.357 3.813 4.170 -0.000 0.000 0.246 6 I C 2.003 178.185 176.117 0.108 0.000 1.088 6 I CA 1.911 63.306 61.300 0.157 0.000 1.347 6 I CB -0.187 37.883 38.000 0.117 0.000 1.041 6 I HN 0.116 nan 8.210 nan 0.000 0.415 7 D N 0.220 120.670 120.400 0.083 0.000 2.149 7 D HA -0.037 4.603 4.640 -0.000 0.000 0.206 7 D C 0.765 177.075 176.300 0.016 0.000 0.967 7 D CA 0.822 54.844 54.000 0.037 0.000 0.848 7 D CB 0.047 40.860 40.800 0.023 0.000 0.998 7 D HN 0.360 nan 8.370 nan 0.000 0.474 8 R N 1.451 121.935 120.500 -0.026 0.000 2.391 8 R HA 0.188 4.528 4.340 -0.000 0.000 0.310 8 R C -1.989 174.385 176.300 0.123 0.000 1.174 8 R CA -1.117 54.956 56.100 -0.043 0.000 1.118 8 R CB 1.238 31.371 30.300 -0.278 0.000 1.134 8 R HN 0.106 nan 8.270 nan 0.000 0.524 9 P HA 0.151 nan 4.420 nan 0.000 0.275 9 P C 0.269 177.737 177.300 0.281 0.000 1.310 9 P CA 0.064 63.319 63.100 0.259 0.000 0.904 9 P CB 0.351 32.147 31.700 0.160 0.000 1.381 10 I N -2.347 118.365 120.570 0.236 0.000 3.810 10 I HA 0.190 4.360 4.170 -0.000 0.000 0.322 10 I C 1.313 177.609 176.117 0.299 0.000 1.288 10 I CA 0.413 61.855 61.300 0.238 0.000 1.143 10 I CB -0.651 37.427 38.000 0.130 0.000 1.012 10 I HN -0.153 nan 8.210 nan 0.000 0.423 11 F N 1.116 121.198 119.950 0.219 0.000 2.534 11 F HA 0.313 4.840 4.527 -0.000 0.000 0.274 11 F C 2.514 178.548 175.800 0.391 0.000 0.917 11 F CA 0.840 58.991 58.000 0.252 0.000 1.145 11 F CB -0.248 38.835 39.000 0.139 0.000 1.145 11 F HN -0.056 nan 8.300 nan 0.000 0.746 12 A N -0.086 123.315 122.820 0.968 0.000 2.042 12 A HA -0.285 4.035 4.320 -0.000 0.000 0.222 12 A C 1.891 179.608 177.584 0.223 0.000 1.167 12 A CA 1.913 54.182 52.037 0.387 0.000 0.649 12 A CB -1.673 17.496 19.000 0.282 0.000 0.809 12 A HN 0.741 nan 8.150 nan 0.000 0.457 13 W N -0.356 121.014 121.300 0.117 0.000 2.379 13 W HA -0.116 4.544 4.660 -0.000 0.000 0.307 13 W C 2.448 178.956 176.519 -0.018 0.000 1.200 13 W CA 1.743 59.110 57.345 0.036 0.000 1.297 13 W CB -0.718 28.766 29.460 0.039 0.000 1.140 13 W HN 0.124 nan 8.180 nan 0.000 0.507 14 V N 0.365 120.309 119.914 0.049 0.000 2.295 14 V HA -0.321 3.799 4.120 -0.000 0.000 0.246 14 V C 2.185 178.177 176.094 -0.169 0.000 1.049 14 V CA 1.756 63.996 62.300 -0.100 0.000 1.024 14 V CB -0.919 30.819 31.823 -0.142 0.000 0.648 14 V HN 0.088 nan 8.190 nan 0.000 0.447 15 I N 0.008 120.480 120.570 -0.163 0.000 2.043 15 I HA -0.379 3.791 4.170 -0.000 0.000 0.231 15 I C 2.737 178.744 176.117 -0.184 0.000 1.024 15 I CA 2.055 63.262 61.300 -0.154 0.000 1.309 15 I CB -0.845 37.078 38.000 -0.128 0.000 1.030 15 I HN 0.351 nan 8.210 nan 0.000 0.389 16 A N 0.913 123.605 122.820 -0.213 0.000 1.929 16 A HA -0.293 4.027 4.320 -0.000 0.000 0.221 16 A C 2.219 179.630 177.584 -0.288 0.000 1.211 16 A CA 2.361 54.243 52.037 -0.258 0.000 0.657 16 A CB -1.223 17.586 19.000 -0.319 0.000 0.827 16 A HN 0.553 nan 8.150 nan 0.000 0.462 17 I N -1.410 118.957 120.570 -0.338 0.000 2.335 17 I HA -0.251 3.919 4.170 -0.000 0.000 0.251 17 I C 2.369 178.367 176.117 -0.197 0.000 1.129 17 I CA 1.578 62.701 61.300 -0.295 0.000 1.402 17 I CB -0.329 37.507 38.000 -0.275 0.000 1.069 17 I HN 0.358 nan 8.210 nan 0.000 0.424 18 I N 0.519 120.988 120.570 -0.168 0.000 2.339 18 I HA -0.182 3.988 4.170 -0.000 0.000 0.245 18 I C 2.228 178.276 176.117 -0.115 0.000 1.096 18 I CA 0.876 62.100 61.300 -0.127 0.000 1.408 18 I CB 0.026 37.959 38.000 -0.112 0.000 1.092 18 I HN 0.012 nan 8.210 nan 0.000 0.423 19 I N 0.131 120.627 120.570 -0.123 0.000 2.730 19 I HA -0.349 3.821 4.170 -0.000 0.000 0.266 19 I C 2.284 178.319 176.117 -0.137 0.000 1.228 19 I CA 1.274 62.503 61.300 -0.118 0.000 1.445 19 I CB -0.324 37.602 38.000 -0.124 0.000 1.102 19 I HN 0.377 nan 8.210 nan 0.000 0.464 20 M N -0.676 118.830 119.600 -0.156 0.000 2.552 20 M HA 0.016 4.496 4.480 -0.000 0.000 0.264 20 M C 2.094 178.305 176.300 -0.149 0.000 1.159 20 M CA 0.859 56.054 55.300 -0.175 0.000 1.176 20 M CB 0.296 32.768 32.600 -0.213 0.000 1.327 20 M HN 0.211 nan 8.290 nan 0.000 0.481 21 L N -0.302 120.847 121.223 -0.124 0.000 2.291 21 L HA -0.069 4.271 4.340 -0.000 0.000 0.214 21 L C 2.557 179.382 176.870 -0.074 0.000 1.120 21 L CA 0.854 55.638 54.840 -0.093 0.000 0.799 21 L CB -0.863 41.148 42.059 -0.080 0.000 0.925 21 L HN 0.258 nan 8.230 nan 0.000 0.446 22 A N 0.424 123.198 122.820 -0.076 0.000 1.873 22 A HA -0.082 4.238 4.320 -0.000 0.000 0.215 22 A C 2.083 179.647 177.584 -0.034 0.000 1.186 22 A CA 1.603 53.611 52.037 -0.049 0.000 0.616 22 A CB -0.905 18.067 19.000 -0.046 0.000 0.823 22 A HN 0.403 nan 8.150 nan 0.000 0.442 23 G N -1.310 107.454 108.800 -0.060 0.000 3.327 23 G HA2 0.364 4.324 3.960 -0.000 0.000 0.240 23 G HA3 0.364 4.324 3.960 -0.000 0.000 0.240 23 G C 0.845 175.700 174.900 -0.074 0.000 1.222 23 G CA 0.785 45.863 45.100 -0.036 0.000 0.871 23 G HN 0.682 nan 8.290 nan 0.000 0.525 24 G N -0.132 108.627 108.800 -0.068 0.000 2.848 24 G HA2 0.188 4.148 3.960 -0.000 0.000 0.213 24 G HA3 0.188 4.148 3.960 -0.000 0.000 0.213 24 G C 1.385 176.272 174.900 -0.021 0.000 1.101 24 G CA -0.050 45.012 45.100 -0.064 0.000 0.778 24 G HN 0.355 nan 8.290 nan 0.000 0.536 25 L N 0.702 121.918 121.223 -0.012 0.000 2.115 25 L HA 0.221 4.561 4.340 -0.000 0.000 0.200 25 L C 2.961 179.849 176.870 0.029 0.000 1.094 25 L CA 0.936 55.779 54.840 0.005 0.000 0.769 25 L CB -0.578 41.479 42.059 -0.003 0.000 0.931 25 L HN 0.136 nan 8.230 nan 0.000 0.455 26 A N -0.403 122.443 122.820 0.043 0.000 2.292 26 A HA -0.064 4.256 4.320 -0.000 0.000 0.209 26 A C 1.995 179.646 177.584 0.111 0.000 1.209 26 A CA 1.186 53.265 52.037 0.070 0.000 0.746 26 A CB -0.817 18.230 19.000 0.079 0.000 0.764 26 A HN 0.455 nan 8.150 nan 0.000 0.492 27 I N -1.948 118.694 120.570 0.120 0.000 3.039 27 I HA -0.028 4.142 4.170 -0.000 0.000 0.270 27 I C 1.956 178.122 176.117 0.083 0.000 1.150 27 I CA 0.323 61.723 61.300 0.165 0.000 1.448 27 I CB 0.009 38.133 38.000 0.206 0.000 1.197 27 I HN 0.265 nan 8.210 nan 0.000 0.450 28 L N 0.877 122.131 121.223 0.052 0.000 2.131 28 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 28 L C 1.344 178.229 176.870 0.024 0.000 1.092 28 L CA 1.645 56.503 54.840 0.030 0.000 0.759 28 L CB -0.242 41.827 42.059 0.017 0.000 0.903 28 L HN 0.157 nan 8.230 nan 0.000 0.435 29 K N -0.701 119.715 120.400 0.027 0.000 2.537 29 K HA 0.319 4.639 4.320 -0.000 0.000 0.206 29 K C -0.224 176.388 176.600 0.019 0.000 1.041 29 K CA -0.179 56.119 56.287 0.019 0.000 1.090 29 K CB 0.638 33.149 32.500 0.018 0.000 0.833 29 K HN 0.131 nan 8.250 nan 0.000 0.493 30 L N 2.791 124.027 121.223 0.021 0.000 2.375 30 L HA 0.297 4.637 4.340 -0.000 0.000 0.271 30 L C -2.172 174.686 176.870 -0.021 0.000 1.107 30 L CA -2.187 52.656 54.840 0.004 0.000 0.806 30 L CB 0.902 42.957 42.059 -0.006 0.000 1.146 30 L HN -0.105 nan 8.230 nan 0.000 0.447 31 P HA 0.027 nan 4.420 nan 0.000 0.275 31 P C -0.086 177.168 177.300 -0.078 0.000 1.276 31 P CA -0.249 62.823 63.100 -0.047 0.000 0.782 31 P CB 0.350 32.022 31.700 -0.047 0.000 0.851 32 V N 2.312 122.180 119.914 -0.077 0.000 2.085 32 V HA 0.203 4.323 4.120 -0.000 0.000 0.282 32 V C 1.112 177.132 176.094 -0.123 0.000 1.787 32 V CA -0.368 61.869 62.300 -0.104 0.000 1.715 32 V CB -1.769 30.005 31.823 -0.082 0.000 1.501 32 V HN 0.547 nan 8.190 nan 0.000 0.506 33 A N 1.188 123.930 122.820 -0.130 0.000 2.316 33 A HA 0.499 4.819 4.320 -0.000 0.000 0.284 33 A C 1.296 178.719 177.584 -0.269 0.000 1.115 33 A CA -0.293 51.649 52.037 -0.159 0.000 0.812 33 A CB 0.533 19.464 19.000 -0.115 0.000 1.064 33 A HN 0.704 nan 8.150 nan 0.000 0.489 34 Q N 0.370 119.928 119.800 -0.404 0.000 2.175 34 Q HA -0.291 4.049 4.340 -0.000 0.000 0.234 34 Q C -0.266 175.080 176.000 -1.090 0.000 1.081 34 Q CA 2.688 57.905 55.803 -0.977 0.000 0.940 34 Q CB -0.846 27.283 28.738 -1.015 0.000 1.032 34 Q HN 0.793 nan 8.270 nan 0.000 0.478 35 Y N -0.991 119.293 120.300 -0.027 0.000 2.889 35 Y HA 0.545 5.095 4.550 -0.000 0.000 0.317 35 Y C -2.330 173.530 175.900 -0.066 0.000 1.414 35 Y CA -2.780 55.289 58.100 -0.051 0.000 1.091 35 Y CB 0.069 38.521 38.460 -0.014 0.000 1.358 35 Y HN 0.037 nan 8.280 nan 0.000 0.487 36 P HA 0.169 nan 4.420 nan 0.000 0.297 36 P C -0.671 176.641 177.300 0.020 0.000 1.303 36 P CA -0.258 62.829 63.100 -0.021 0.000 0.753 36 P CB 0.417 32.078 31.700 -0.066 0.000 1.281 37 T N 0.700 115.246 114.554 -0.014 0.000 2.869 37 T HA 0.328 4.678 4.350 -0.000 0.000 0.295 37 T C 0.852 175.573 174.700 0.035 0.000 0.987 37 T CA 0.044 62.155 62.100 0.018 0.000 1.109 37 T CB -0.263 68.606 68.868 0.001 0.000 0.932 37 T HN 0.315 nan 8.240 nan 0.000 0.518 38 I N -0.152 120.455 120.570 0.062 0.000 3.762 38 I HA 0.681 4.851 4.170 -0.000 0.000 0.333 38 I C 0.355 176.507 176.117 0.057 0.000 1.566 38 I CA -0.753 60.587 61.300 0.067 0.000 1.129 38 I CB 0.165 38.223 38.000 0.096 0.000 1.218 38 I HN 0.468 nan 8.210 nan 0.000 0.456 39 A N 1.714 124.564 122.820 0.050 0.000 2.353 39 A HA 0.886 5.206 4.320 -0.000 0.000 0.299 39 A C -2.947 174.663 177.584 0.043 0.000 1.089 39 A CA -1.224 50.842 52.037 0.049 0.000 0.736 39 A CB 0.944 19.975 19.000 0.053 0.000 1.195 39 A HN 0.079 nan 8.150 nan 0.000 0.447 40 P HA 0.415 nan 4.420 nan 0.000 0.287 40 P C -2.700 174.625 177.300 0.041 0.000 1.307 40 P CA -1.380 61.742 63.100 0.037 0.000 0.777 40 P CB 0.305 32.012 31.700 0.012 0.000 0.883 41 P HA 0.135 nan 4.420 nan 0.000 0.263 41 P C -0.661 176.733 177.300 0.157 0.000 1.175 41 P CA 0.858 64.018 63.100 0.100 0.000 0.761 41 P CB 0.315 32.076 31.700 0.102 0.000 0.794 42 A N 2.893 125.790 122.820 0.128 0.000 2.429 42 A HA 0.533 4.853 4.320 -0.000 0.000 0.289 42 A C -0.516 177.136 177.584 0.114 0.000 1.043 42 A CA -0.594 51.505 52.037 0.102 0.000 0.722 42 A CB 0.923 19.944 19.000 0.035 0.000 1.243 42 A HN 0.326 nan 8.150 nan 0.000 0.415 43 V N 0.653 120.670 119.914 0.171 0.000 2.644 43 V HA 0.892 5.012 4.120 -0.000 0.000 0.295 43 V C 0.257 176.395 176.094 0.072 0.000 1.053 43 V CA 0.023 62.398 62.300 0.126 0.000 0.987 43 V CB 1.148 33.094 31.823 0.205 0.000 1.006 43 V HN 1.196 nan 8.190 nan 0.000 0.472 44 T N 1.977 116.561 114.554 0.050 0.000 2.985 44 T HA 0.581 4.931 4.350 -0.000 0.000 0.315 44 T C -0.375 174.343 174.700 0.030 0.000 1.001 44 T CA -0.582 61.537 62.100 0.032 0.000 1.016 44 T CB 0.720 69.604 68.868 0.027 0.000 0.993 44 T HN 0.709 nan 8.240 nan 0.000 0.454 45 I N 2.641 123.227 120.570 0.027 0.000 2.815 45 I HA 0.347 4.517 4.170 -0.000 0.000 0.291 45 I C 0.537 176.665 176.117 0.019 0.000 1.209 45 I CA -0.146 61.167 61.300 0.022 0.000 1.431 45 I CB -0.047 37.964 38.000 0.018 0.000 1.351 45 I HN 0.895 nan 8.210 nan 0.000 0.585 46 S N 3.680 119.390 115.700 0.016 0.000 2.575 46 S HA 0.876 5.346 4.470 -0.000 0.000 0.278 46 S C -0.692 173.916 174.600 0.013 0.000 1.139 46 S CA -0.650 57.559 58.200 0.015 0.000 0.954 46 S CB 2.135 65.345 63.200 0.016 0.000 1.054 46 S HN 1.076 nan 8.310 nan 0.000 0.483 47 A N 1.777 124.607 122.820 0.017 0.000 2.530 47 A HA 0.994 5.314 4.320 -0.000 0.000 0.288 47 A C -0.320 177.281 177.584 0.029 0.000 1.172 47 A CA -0.553 51.494 52.037 0.017 0.000 0.733 47 A CB 1.496 20.503 19.000 0.011 0.000 1.320 47 A HN 2.031 nan 8.150 nan 0.000 0.419 48 S N -0.739 114.980 115.700 0.031 0.000 2.540 48 S HA 0.609 5.079 4.470 -0.000 0.000 0.275 48 S C -1.413 173.261 174.600 0.123 0.000 1.123 48 S CA -0.377 57.863 58.200 0.067 0.000 0.907 48 S CB 1.205 64.430 63.200 0.042 0.000 1.081 48 S HN 1.063 nan 8.310 nan 0.000 0.476 49 Y N 2.939 123.258 120.300 0.031 0.000 2.842 49 Y HA 0.400 4.950 4.550 -0.000 0.000 0.334 49 Y C -2.603 173.343 175.900 0.076 0.000 1.019 49 Y CA -2.758 55.376 58.100 0.057 0.000 1.258 49 Y CB 1.066 39.553 38.460 0.045 0.000 1.106 49 Y HN 0.520 nan 8.280 nan 0.000 0.545 50 P HA -0.143 nan 4.420 nan 0.000 0.260 50 P C 0.828 178.241 177.300 0.189 0.000 1.147 50 P CA 2.644 65.900 63.100 0.261 0.000 0.758 50 P CB 0.590 32.508 31.700 0.364 0.000 0.744 51 G N 3.374 112.239 108.800 0.108 0.000 4.300 51 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.222 51 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.222 51 G C 0.573 175.445 174.900 -0.047 0.000 1.344 51 G CA 0.778 45.906 45.100 0.047 0.000 1.014 51 G HN 0.933 nan 8.290 nan 0.000 0.641 52 A N 0.048 122.763 122.820 -0.176 0.000 2.550 52 A HA 0.226 4.546 4.320 -0.000 0.000 0.242 52 A C 0.223 177.688 177.584 -0.197 0.000 1.541 52 A CA 2.008 53.800 52.037 -0.409 0.000 1.562 52 A CB -0.112 18.225 19.000 -1.104 0.000 1.065 52 A HN 1.147 nan 8.150 nan 0.000 0.475 53 D N 0.870 121.159 120.400 -0.184 0.000 2.752 53 D HA 0.501 5.141 4.640 -0.000 0.000 0.242 53 D C 0.529 176.779 176.300 -0.083 0.000 1.295 53 D CA 1.121 55.060 54.000 -0.102 0.000 0.846 53 D CB 0.382 41.130 40.800 -0.086 0.000 1.454 53 D HN 1.714 nan 8.370 nan 0.000 0.535 54 A N 2.056 124.838 122.820 -0.063 0.000 2.989 54 A HA -0.276 4.044 4.320 -0.000 0.000 0.261 54 A C 1.635 179.189 177.584 -0.051 0.000 2.274 54 A CA 0.923 52.931 52.037 -0.047 0.000 0.963 54 A CB -1.227 17.741 19.000 -0.054 0.000 1.295 54 A HN 0.359 nan 8.150 nan 0.000 0.599 55 K N -0.281 120.078 120.400 -0.068 0.000 2.089 55 K HA -0.194 4.126 4.320 -0.000 0.000 0.210 55 K C 1.894 178.469 176.600 -0.042 0.000 1.048 55 K CA 2.775 59.026 56.287 -0.060 0.000 0.926 55 K CB -0.478 31.981 32.500 -0.068 0.000 0.714 55 K HN 0.792 nan 8.250 nan 0.000 0.448 56 T N 0.647 115.164 114.554 -0.061 0.000 2.759 56 T HA -0.112 4.238 4.350 -0.000 0.000 0.269 56 T C 1.834 176.522 174.700 -0.020 0.000 1.042 56 T CA 1.573 63.633 62.100 -0.067 0.000 1.140 56 T CB -0.309 68.468 68.868 -0.151 0.000 0.864 56 T HN 0.173 nan 8.240 nan 0.000 0.455 57 V N -0.156 119.752 119.914 -0.011 0.000 2.871 57 V HA 0.079 4.199 4.120 -0.000 0.000 0.256 57 V C 1.288 177.427 176.094 0.076 0.000 1.082 57 V CA 0.917 63.266 62.300 0.082 0.000 1.105 57 V CB -0.697 31.173 31.823 0.077 0.000 0.713 57 V HN 0.419 nan 8.190 nan 0.000 0.473 58 Q N -0.438 119.383 119.800 0.035 0.000 3.180 58 Q HA 0.246 4.586 4.340 -0.000 0.000 0.317 58 Q C -0.466 175.543 176.000 0.016 0.000 0.824 58 Q CA 0.034 55.852 55.803 0.026 0.000 0.926 58 Q CB 0.796 29.542 28.738 0.014 0.000 1.487 58 Q HN 0.463 nan 8.270 nan 0.000 0.389 59 D N -1.955 118.461 120.400 0.026 0.000 2.775 59 D HA -0.062 4.578 4.640 -0.000 0.000 0.693 59 D C 0.554 176.874 176.300 0.034 0.000 0.434 59 D CA 0.495 54.508 54.000 0.020 0.000 1.178 59 D CB 0.260 41.064 40.800 0.008 0.000 1.270 59 D HN 0.219 nan 8.370 nan 0.000 0.310 60 T N -0.042 114.547 114.554 0.058 0.000 3.132 60 T HA 0.452 4.802 4.350 -0.000 0.000 0.274 60 T C 0.790 175.533 174.700 0.072 0.000 1.011 60 T CA 0.744 62.892 62.100 0.080 0.000 0.899 60 T CB 0.608 69.563 68.868 0.145 0.000 1.089 60 T HN 0.037 nan 8.240 nan 0.000 0.543 61 V N -1.137 118.810 119.914 0.055 0.000 4.671 61 V HA -0.012 4.108 4.120 -0.000 0.000 0.141 61 V C 2.152 178.264 176.094 0.030 0.000 1.346 61 V CA 0.596 62.922 62.300 0.044 0.000 0.938 61 V CB -0.399 31.468 31.823 0.075 0.000 1.034 61 V HN 0.219 nan 8.190 nan 0.000 0.635 62 T N 0.725 115.299 114.554 0.034 0.000 2.564 62 T HA -0.220 4.130 4.350 -0.000 0.000 0.259 62 T C 1.770 176.477 174.700 0.012 0.000 1.087 62 T CA 2.306 64.419 62.100 0.021 0.000 1.184 62 T CB -0.403 68.479 68.868 0.023 0.000 0.864 62 T HN 0.479 nan 8.240 nan 0.000 0.403 63 Q N 0.639 120.446 119.800 0.012 0.000 2.182 63 Q HA -0.163 4.177 4.340 -0.000 0.000 0.213 63 Q C 2.272 178.275 176.000 0.005 0.000 1.000 63 Q CA 1.455 57.262 55.803 0.006 0.000 0.889 63 Q CB -1.220 27.523 28.738 0.007 0.000 0.932 63 Q HN 0.408 nan 8.270 nan 0.000 0.415 64 V N 1.475 121.395 119.914 0.009 0.000 2.246 64 V HA -0.275 3.845 4.120 -0.000 0.000 0.179 64 V C 2.269 178.364 176.094 0.002 0.000 0.881 64 V CA 0.954 63.257 62.300 0.006 0.000 1.121 64 V CB -0.819 31.008 31.823 0.007 0.000 0.701 64 V HN 0.325 nan 8.190 nan 0.000 0.469 65 I N -0.154 120.417 120.570 0.002 0.000 4.800 65 I HA -0.528 3.642 4.170 -0.000 0.000 0.053 65 I C 2.610 178.726 176.117 -0.002 0.000 0.636 65 I CA 3.014 64.315 61.300 0.002 0.000 0.444 65 I CB -1.355 36.648 38.000 0.005 0.000 0.451 65 I HN 0.969 nan 8.210 nan 0.000 0.162 66 E N 0.993 121.191 120.200 -0.004 0.000 2.108 66 E HA -0.344 4.006 4.350 -0.000 0.000 0.203 66 E C 2.029 178.619 176.600 -0.018 0.000 1.022 66 E CA 2.399 58.791 56.400 -0.014 0.000 0.823 66 E CB -0.449 29.241 29.700 -0.016 0.000 0.744 66 E HN 0.761 nan 8.360 nan 0.000 0.456 67 Q N 0.671 120.463 119.800 -0.013 0.000 2.297 67 Q HA -0.181 4.159 4.340 -0.000 0.000 0.208 67 Q C 1.301 177.295 176.000 -0.010 0.000 0.981 67 Q CA 1.752 57.547 55.803 -0.013 0.000 0.876 67 Q CB -0.325 28.408 28.738 -0.008 0.000 0.921 67 Q HN 0.370 nan 8.270 nan 0.000 0.446 68 N N -0.616 118.081 118.700 -0.007 0.000 2.279 68 N HA 0.110 4.850 4.740 -0.000 0.000 0.226 68 N C -0.674 174.836 175.510 -0.001 0.000 1.126 68 N CA -0.333 52.715 53.050 -0.003 0.000 0.846 68 N CB 0.296 38.782 38.487 -0.001 0.000 1.050 68 N HN 0.173 nan 8.380 nan 0.000 0.502 69 M N 2.157 121.754 119.600 -0.005 0.000 2.036 69 M HA 0.269 4.749 4.480 -0.000 0.000 0.337 69 M C -1.082 175.216 176.300 -0.002 0.000 1.012 69 M CA -0.298 55.001 55.300 -0.001 0.000 0.962 69 M CB 0.361 32.954 32.600 -0.012 0.000 1.423 69 M HN 0.234 nan 8.290 nan 0.000 0.405 70 N N -0.977 117.729 118.700 0.009 0.000 3.116 70 N HA 0.587 5.327 4.740 -0.000 0.000 0.244 70 N C 0.021 175.542 175.510 0.019 0.000 1.485 70 N CA -0.494 52.561 53.050 0.009 0.000 0.884 70 N CB 0.596 39.083 38.487 0.000 0.000 1.415 70 N HN 0.573 nan 8.380 nan 0.000 0.524 71 G N -0.390 108.422 108.800 0.019 0.000 2.372 71 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.297 71 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.297 71 G C -0.765 174.160 174.900 0.041 0.000 1.005 71 G CA 0.725 45.839 45.100 0.024 0.000 1.173 71 G HN 0.666 nan 8.290 nan 0.000 0.511 72 I N -0.440 120.169 120.570 0.065 0.000 2.498 72 I HA 0.365 4.535 4.170 -0.000 0.000 0.290 72 I C -0.425 175.783 176.117 0.151 0.000 1.032 72 I CA -1.204 60.170 61.300 0.123 0.000 1.073 72 I CB 1.929 40.062 38.000 0.221 0.000 1.251 72 I HN -0.097 nan 8.210 nan 0.000 0.426 73 D N 5.320 125.797 120.400 0.129 0.000 2.345 73 D HA 0.181 4.821 4.640 -0.000 0.000 0.247 73 D C 0.317 176.723 176.300 0.177 0.000 1.108 73 D CA 0.630 54.687 54.000 0.094 0.000 0.894 73 D CB 0.619 41.425 40.800 0.011 0.000 1.203 73 D HN 0.590 nan 8.370 nan 0.000 0.430 74 N N 0.916 119.698 118.700 0.137 0.000 2.818 74 N HA -0.183 4.557 4.740 -0.000 0.000 0.250 74 N C -0.561 175.096 175.510 0.245 0.000 1.108 74 N CA 0.248 53.400 53.050 0.171 0.000 0.745 74 N CB -1.141 37.447 38.487 0.169 0.000 1.104 74 N HN 0.444 nan 8.380 nan 0.000 0.557 75 L N 0.685 121.983 121.223 0.125 0.000 2.289 75 L HA 0.322 4.662 4.340 -0.000 0.000 0.285 75 L C 1.441 178.214 176.870 -0.163 0.000 1.049 75 L CA -0.222 54.549 54.840 -0.116 0.000 0.804 75 L CB 1.408 43.353 42.059 -0.189 0.000 1.195 75 L HN 0.067 nan 8.230 nan 0.000 0.428 76 M N 4.909 124.311 119.600 -0.331 0.000 2.276 76 M HA 0.016 4.496 4.480 -0.000 0.000 0.262 76 M C -0.851 175.304 176.300 -0.242 0.000 1.098 76 M CA 1.374 56.489 55.300 -0.308 0.000 1.167 76 M CB 0.228 32.455 32.600 -0.621 0.000 1.337 76 M HN 0.633 nan 8.290 nan 0.000 0.446 77 Y N -2.034 118.127 120.300 -0.232 0.000 2.670 77 Y HA 0.622 5.172 4.550 -0.000 0.000 0.334 77 Y C -0.993 174.718 175.900 -0.316 0.000 1.185 77 Y CA -2.561 55.353 58.100 -0.311 0.000 1.053 77 Y CB 0.436 38.722 38.460 -0.289 0.000 1.298 77 Y HN -0.001 nan 8.280 nan 0.000 0.459 78 M N 1.264 120.786 119.600 -0.130 0.000 2.598 78 M HA 0.866 5.346 4.480 -0.000 0.000 0.317 78 M C -1.442 174.837 176.300 -0.035 0.000 1.179 78 M CA -0.806 54.453 55.300 -0.068 0.000 0.936 78 M CB 2.444 34.981 32.600 -0.105 0.000 1.713 78 M HN 0.736 nan 8.290 nan 0.000 0.460 79 S N 1.492 117.231 115.700 0.064 0.000 2.566 79 S HA 0.497 4.967 4.470 -0.000 0.000 0.324 79 S C -0.421 174.204 174.600 0.041 0.000 1.081 79 S CA -0.786 57.469 58.200 0.092 0.000 1.105 79 S CB 0.663 63.944 63.200 0.134 0.000 0.981 79 S HN 0.705 nan 8.310 nan 0.000 0.464 80 S N 2.341 118.055 115.700 0.022 0.000 2.592 80 S HA 0.319 4.789 4.470 -0.000 0.000 0.305 80 S C -0.226 174.389 174.600 0.025 0.000 1.118 80 S CA -0.833 57.377 58.200 0.016 0.000 1.075 80 S CB -0.347 62.856 63.200 0.005 0.000 1.107 80 S HN 0.766 nan 8.310 nan 0.000 0.503 81 N N 1.967 120.685 118.700 0.030 0.000 2.524 81 N HA 0.564 5.304 4.740 -0.000 0.000 0.283 81 N C -0.776 174.749 175.510 0.025 0.000 1.142 81 N CA -0.035 53.034 53.050 0.031 0.000 0.984 81 N CB 1.083 39.591 38.487 0.035 0.000 1.155 81 N HN 0.476 nan 8.380 nan 0.000 0.467 82 S N 0.211 115.924 115.700 0.021 0.000 2.547 82 S HA 0.269 4.739 4.470 -0.000 0.000 0.270 82 S C -2.310 172.297 174.600 0.011 0.000 1.150 82 S CA -0.947 57.264 58.200 0.018 0.000 0.850 82 S CB 0.961 64.174 63.200 0.021 0.000 1.118 82 S HN 0.681 nan 8.310 nan 0.000 0.461 83 D N 0.716 121.123 120.400 0.012 0.000 2.303 83 D HA 0.212 4.852 4.640 -0.000 0.000 0.236 83 D C 0.697 176.997 176.300 -0.000 0.000 1.068 83 D CA -0.419 53.584 54.000 0.006 0.000 0.830 83 D CB 1.720 42.525 40.800 0.008 0.000 1.109 83 D HN 0.393 nan 8.370 nan 0.000 0.496 84 S N 2.143 117.837 115.700 -0.010 0.000 2.484 84 S HA -0.238 4.232 4.470 -0.000 0.000 0.269 84 S C 1.316 175.913 174.600 -0.005 0.000 0.997 84 S CA 1.819 60.010 58.200 -0.015 0.000 0.973 84 S CB -0.738 62.455 63.200 -0.012 0.000 0.737 84 S HN 0.661 nan 8.310 nan 0.000 0.515 85 T N -1.666 112.891 114.554 0.004 0.000 3.393 85 T HA 0.482 4.832 4.350 -0.000 0.000 0.248 85 T C 1.217 175.927 174.700 0.016 0.000 0.992 85 T CA 0.370 62.476 62.100 0.011 0.000 0.929 85 T CB -0.451 68.421 68.868 0.008 0.000 1.065 85 T HN 0.895 nan 8.240 nan 0.000 0.597 86 G N 0.327 109.133 108.800 0.009 0.000 2.176 86 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.252 86 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.252 86 G C 0.070 175.010 174.900 0.066 0.000 1.024 86 G CA 0.136 45.251 45.100 0.025 0.000 0.755 86 G HN 0.777 nan 8.290 nan 0.000 0.507 87 T N -0.436 114.145 114.554 0.045 0.000 3.011 87 T HA 0.541 4.891 4.350 -0.000 0.000 0.303 87 T C -0.225 174.496 174.700 0.034 0.000 0.997 87 T CA -0.232 61.892 62.100 0.040 0.000 1.007 87 T CB 2.322 71.201 68.868 0.017 0.000 1.017 87 T HN 0.616 nan 8.240 nan 0.000 0.443 88 V N 5.029 124.965 119.914 0.036 0.000 2.628 88 V HA 0.749 4.869 4.120 -0.000 0.000 0.306 88 V C -0.367 175.740 176.094 0.023 0.000 1.045 88 V CA -0.804 61.514 62.300 0.031 0.000 0.905 88 V CB 1.789 33.632 31.823 0.034 0.000 0.997 88 V HN 0.890 nan 8.190 nan 0.000 0.436 89 Q N 4.079 123.892 119.800 0.022 0.000 2.340 89 Q HA 0.742 5.082 4.340 -0.000 0.000 0.276 89 Q C -2.144 173.868 176.000 0.021 0.000 1.048 89 Q CA -0.758 55.057 55.803 0.021 0.000 0.832 89 Q CB 2.912 31.662 28.738 0.021 0.000 1.373 89 Q HN 0.694 nan 8.270 nan 0.000 0.409 90 I N 2.142 122.723 120.570 0.017 0.000 2.500 90 I HA 0.314 4.484 4.170 -0.000 0.000 0.286 90 I C -0.977 175.145 176.117 0.008 0.000 1.063 90 I CA -0.525 60.782 61.300 0.011 0.000 1.062 90 I CB 2.542 40.545 38.000 0.004 0.000 1.223 90 I HN 0.755 nan 8.210 nan 0.000 0.435 91 T N 7.718 122.276 114.554 0.007 0.000 3.068 91 T HA 0.541 4.891 4.350 -0.000 0.000 0.364 91 T C -1.055 173.631 174.700 -0.022 0.000 1.161 91 T CA -0.462 61.644 62.100 0.009 0.000 1.155 91 T CB -0.086 68.799 68.868 0.029 0.000 1.060 91 T HN 0.286 nan 8.240 nan 0.000 0.513 92 L N 3.424 124.599 121.223 -0.081 0.000 2.265 92 L HA 0.625 4.965 4.340 -0.000 0.000 0.289 92 L C 0.487 177.104 176.870 -0.423 0.000 1.033 92 L CA -0.885 53.811 54.840 -0.241 0.000 0.814 92 L CB 0.192 42.068 42.059 -0.305 0.000 1.203 92 L HN 0.341 nan 8.230 nan 0.000 0.423 93 T N 1.350 115.650 114.554 -0.423 0.000 2.780 93 T HA 0.567 4.917 4.350 -0.000 0.000 0.294 93 T C 0.003 174.332 174.700 -0.617 0.000 0.949 93 T CA -0.050 61.798 62.100 -0.419 0.000 1.074 93 T CB 0.144 68.780 68.868 -0.387 0.000 0.910 93 T HN 0.266 nan 8.240 nan 0.000 0.501 94 F N 1.233 121.080 119.950 -0.172 0.000 2.380 94 F HA 0.359 4.886 4.527 -0.000 0.000 0.321 94 F C 1.481 177.203 175.800 -0.129 0.000 1.103 94 F CA -1.062 56.857 58.000 -0.135 0.000 1.067 94 F CB 0.801 39.753 39.000 -0.080 0.000 1.265 94 F HN 0.472 nan 8.300 nan 0.000 0.517 95 E N 0.180 120.465 120.200 0.143 0.000 3.140 95 E HA -0.114 4.236 4.350 -0.000 0.000 0.352 95 E C -0.408 176.229 176.600 0.061 0.000 1.493 95 E CA 0.274 56.717 56.400 0.071 0.000 1.812 95 E CB -0.019 29.732 29.700 0.085 0.000 0.945 95 E HN 0.377 nan 8.360 nan 0.000 0.600 96 S N -1.618 114.116 115.700 0.057 0.000 2.437 96 S HA 0.475 4.945 4.470 -0.000 0.000 0.305 96 S C 0.606 175.227 174.600 0.034 0.000 1.109 96 S CA 0.407 58.636 58.200 0.048 0.000 1.099 96 S CB 0.734 63.966 63.200 0.053 0.000 1.004 96 S HN 0.591 nan 8.310 nan 0.000 0.475 97 G N 3.228 112.043 108.800 0.024 0.000 2.320 97 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.242 97 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.242 97 G C 0.273 175.170 174.900 -0.005 0.000 1.033 97 G CA 0.201 45.305 45.100 0.007 0.000 0.620 97 G HN 0.994 nan 8.290 nan 0.000 0.517 98 T N 2.103 116.656 114.554 -0.002 0.000 2.819 98 T HA 0.265 4.615 4.350 -0.000 0.000 0.282 98 T C 0.335 174.990 174.700 -0.075 0.000 1.013 98 T CA 0.800 62.879 62.100 -0.034 0.000 1.159 98 T CB 0.951 69.801 68.868 -0.031 0.000 1.007 98 T HN 0.401 nan 8.240 nan 0.000 0.514 99 D N 2.487 122.830 120.400 -0.096 0.000 2.482 99 D HA 0.151 4.791 4.640 -0.000 0.000 0.244 99 D C 1.345 177.566 176.300 -0.131 0.000 1.242 99 D CA -0.139 53.805 54.000 -0.094 0.000 1.097 99 D CB -0.181 40.570 40.800 -0.081 0.000 1.109 99 D HN 0.627 nan 8.370 nan 0.000 0.510 100 A N 3.858 126.609 122.820 -0.114 0.000 2.042 100 A HA -0.277 4.043 4.320 -0.000 0.000 0.222 100 A C 1.844 179.353 177.584 -0.124 0.000 1.167 100 A CA 1.699 53.651 52.037 -0.141 0.000 0.649 100 A CB -0.307 18.653 19.000 -0.067 0.000 0.809 100 A HN 0.517 nan 8.150 nan 0.000 0.457 101 D N -0.551 119.797 120.400 -0.085 0.000 2.200 101 D HA -0.192 4.448 4.640 -0.000 0.000 0.192 101 D C 1.463 177.710 176.300 -0.087 0.000 1.008 101 D CA 1.614 55.572 54.000 -0.071 0.000 0.872 101 D CB -0.165 40.603 40.800 -0.053 0.000 0.923 101 D HN 0.428 nan 8.370 nan 0.000 0.447 102 I N 0.320 120.819 120.570 -0.118 0.000 2.716 102 I HA -0.025 4.145 4.170 -0.000 0.000 0.222 102 I C 2.418 178.405 176.117 -0.218 0.000 1.055 102 I CA 0.935 62.150 61.300 -0.143 0.000 1.397 102 I CB -1.414 36.490 38.000 -0.160 0.000 1.230 102 I HN 0.020 nan 8.210 nan 0.000 0.412 103 A N 0.031 122.615 122.820 -0.393 0.000 1.771 103 A HA -0.470 3.850 4.320 -0.000 0.000 0.290 103 A C 2.219 179.657 177.584 -0.243 0.000 3.024 103 A CA 3.293 54.938 52.037 -0.654 0.000 0.911 103 A CB -1.698 16.594 19.000 -1.180 0.000 0.802 103 A HN 0.666 nan 8.150 nan 0.000 0.514 104 Q N -1.038 118.680 119.800 -0.136 0.000 2.129 104 Q HA -0.307 4.033 4.340 -0.000 0.000 0.218 104 Q C 2.122 178.101 176.000 -0.036 0.000 1.040 104 Q CA 3.255 59.037 55.803 -0.035 0.000 0.913 104 Q CB -0.717 28.006 28.738 -0.026 0.000 1.030 104 Q HN 0.613 nan 8.270 nan 0.000 0.419 105 V N 1.131 121.008 119.914 -0.061 0.000 2.223 105 V HA -0.390 3.730 4.120 -0.000 0.000 0.246 105 V C 2.446 178.520 176.094 -0.033 0.000 1.045 105 V CA 2.464 64.735 62.300 -0.049 0.000 1.004 105 V CB -1.025 30.762 31.823 -0.060 0.000 0.641 105 V HN 0.526 nan 8.190 nan 0.000 0.457 106 Q N -0.438 119.330 119.800 -0.052 0.000 1.992 106 Q HA -0.325 4.015 4.340 -0.000 0.000 0.216 106 Q C 2.191 178.203 176.000 0.019 0.000 1.047 106 Q CA 2.992 58.779 55.803 -0.025 0.000 0.899 106 Q CB -1.292 27.408 28.738 -0.064 0.000 1.021 106 Q HN 0.577 nan 8.270 nan 0.000 0.421 107 V N 0.979 120.926 119.914 0.055 0.000 2.250 107 V HA -0.290 3.830 4.120 -0.000 0.000 0.253 107 V C 2.219 178.340 176.094 0.044 0.000 1.065 107 V CA 2.363 64.717 62.300 0.090 0.000 1.039 107 V CB -0.632 31.270 31.823 0.131 0.000 0.647 107 V HN 0.450 nan 8.190 nan 0.000 0.446 108 Q N -0.744 119.071 119.800 0.025 0.000 2.415 108 Q HA -0.059 4.281 4.340 -0.000 0.000 0.206 108 Q C 1.879 177.883 176.000 0.007 0.000 0.946 108 Q CA 0.065 55.877 55.803 0.014 0.000 0.951 108 Q CB -0.065 28.677 28.738 0.007 0.000 1.026 108 Q HN 0.685 nan 8.270 nan 0.000 0.510 109 N N 0.984 119.688 118.700 0.007 0.000 2.051 109 N HA -0.151 4.589 4.740 -0.000 0.000 0.192 109 N C 1.339 176.852 175.510 0.006 0.000 1.049 109 N CA 1.399 54.451 53.050 0.003 0.000 0.845 109 N CB 0.236 38.724 38.487 0.002 0.000 1.031 109 N HN -0.017 nan 8.380 nan 0.000 0.425 110 K N 0.982 121.389 120.400 0.013 0.000 1.969 110 K HA -0.095 4.225 4.320 -0.000 0.000 0.220 110 K C 1.867 178.473 176.600 0.009 0.000 1.040 110 K CA 0.293 56.587 56.287 0.012 0.000 0.981 110 K CB -1.495 31.017 32.500 0.020 0.000 0.746 110 K HN 0.198 nan 8.250 nan 0.000 0.444 111 L N 1.645 122.876 121.223 0.013 0.000 2.553 111 L HA -0.417 3.923 4.340 -0.000 0.000 0.245 111 L C 1.882 178.754 176.870 0.003 0.000 1.547 111 L CA 2.550 57.395 54.840 0.008 0.000 0.787 111 L CB -1.434 40.631 42.059 0.010 0.000 1.226 111 L HN 0.468 nan 8.230 nan 0.000 0.399 112 Q N -1.684 118.117 119.800 0.002 0.000 2.326 112 Q HA -0.266 4.074 4.340 -0.000 0.000 0.216 112 Q C 1.552 177.551 176.000 -0.002 0.000 1.047 112 Q CA 2.630 58.432 55.803 -0.001 0.000 1.018 112 Q CB -0.669 28.069 28.738 -0.001 0.000 1.010 112 Q HN 0.691 nan 8.270 nan 0.000 0.420 113 L N -2.909 118.313 121.223 -0.001 0.000 2.766 113 L HA 0.350 4.690 4.340 -0.000 0.000 0.242 113 L C 1.328 178.196 176.870 -0.003 0.000 1.136 113 L CA 0.509 55.348 54.840 -0.002 0.000 0.933 113 L CB 0.280 42.338 42.059 -0.001 0.000 1.241 113 L HN 0.060 nan 8.230 nan 0.000 0.522 114 A N -0.772 122.047 122.820 -0.003 0.000 2.348 114 A HA 0.163 4.483 4.320 -0.000 0.000 0.224 114 A C 2.109 179.688 177.584 -0.008 0.000 1.227 114 A CA -0.023 52.011 52.037 -0.005 0.000 0.885 114 A CB -0.065 18.934 19.000 -0.003 0.000 0.933 114 A HN 0.120 nan 8.150 nan 0.000 0.506 115 M N 0.356 119.951 119.600 -0.008 0.000 2.082 115 M HA -0.110 4.370 4.480 -0.000 0.000 0.258 115 M C -1.172 175.118 176.300 -0.016 0.000 1.071 115 M CA 1.657 56.950 55.300 -0.012 0.000 1.103 115 M CB -2.134 30.460 32.600 -0.011 0.000 1.307 115 M HN 0.058 nan 8.290 nan 0.000 0.409 116 P HA 0.098 nan 4.420 nan 0.000 0.254 116 P C 0.345 177.637 177.300 -0.014 0.000 1.631 116 P CA 0.763 63.854 63.100 -0.014 0.000 0.861 116 P CB -0.452 31.241 31.700 -0.011 0.000 1.663 117 L N -3.051 118.163 121.223 -0.015 0.000 3.360 117 L HA 0.181 4.521 4.340 -0.000 0.000 0.303 117 L C 0.047 176.904 176.870 -0.022 0.000 1.218 117 L CA -0.204 54.627 54.840 -0.014 0.000 1.059 117 L CB 0.289 42.343 42.059 -0.008 0.000 1.468 117 L HN -0.074 nan 8.230 nan 0.000 0.614 118 L N 1.453 122.658 121.223 -0.031 0.000 2.453 118 L HA 0.290 4.630 4.340 -0.000 0.000 0.261 118 L C -1.935 174.886 176.870 -0.081 0.000 1.179 118 L CA -1.573 53.236 54.840 -0.051 0.000 0.813 118 L CB -0.511 41.516 42.059 -0.053 0.000 1.110 118 L HN -0.184 nan 8.230 nan 0.000 0.466 119 P HA 0.014 nan 4.420 nan 0.000 0.269 119 P C 0.231 177.425 177.300 -0.177 0.000 1.252 119 P CA -0.206 62.784 63.100 -0.183 0.000 0.780 119 P CB 0.695 32.180 31.700 -0.359 0.000 0.829 120 Q N 2.665 122.403 119.800 -0.103 0.000 2.303 120 Q HA -0.287 4.053 4.340 -0.000 0.000 0.219 120 Q C 1.239 177.200 176.000 -0.065 0.000 1.050 120 Q CA 2.380 58.137 55.803 -0.075 0.000 0.987 120 Q CB -0.468 28.230 28.738 -0.066 0.000 1.059 120 Q HN 0.631 nan 8.270 nan 0.000 0.429 121 E N -0.743 119.393 120.200 -0.107 0.000 2.112 121 E HA -0.049 4.301 4.350 -0.000 0.000 0.190 121 E C 2.118 178.753 176.600 0.058 0.000 0.979 121 E CA 0.820 57.235 56.400 0.025 0.000 0.814 121 E CB -0.052 29.680 29.700 0.054 0.000 0.762 121 E HN 0.128 nan 8.360 nan 0.000 0.460 122 V N 0.939 120.758 119.914 -0.157 0.000 2.246 122 V HA -0.371 3.749 4.120 -0.000 0.000 0.237 122 V C 2.102 178.172 176.094 -0.041 0.000 1.025 122 V CA 2.061 64.299 62.300 -0.104 0.000 0.993 122 V CB -0.911 30.806 31.823 -0.177 0.000 0.642 122 V HN 0.211 nan 8.190 nan 0.000 0.466 123 Q N -0.920 118.847 119.800 -0.054 0.000 2.295 123 Q HA -0.346 3.994 4.340 -0.000 0.000 0.219 123 Q C 1.953 177.956 176.000 0.005 0.000 1.067 123 Q CA 2.930 58.718 55.803 -0.024 0.000 0.997 123 Q CB -0.285 28.436 28.738 -0.029 0.000 1.075 123 Q HN 0.777 nan 8.270 nan 0.000 0.440 124 Q N -2.477 117.348 119.800 0.041 0.000 2.279 124 Q HA 0.114 4.454 4.340 -0.000 0.000 0.261 124 Q C -0.157 175.908 176.000 0.108 0.000 0.796 124 Q CA -0.010 55.850 55.803 0.096 0.000 0.971 124 Q CB 0.815 29.663 28.738 0.183 0.000 1.179 124 Q HN 0.235 nan 8.270 nan 0.000 0.505 125 Q N 1.182 121.013 119.800 0.051 0.000 3.004 125 Q HA 0.170 4.510 4.340 -0.000 0.000 0.256 125 Q C -0.186 175.801 176.000 -0.022 0.000 1.387 125 Q CA -0.122 55.644 55.803 -0.061 0.000 0.962 125 Q CB 0.027 28.694 28.738 -0.118 0.000 1.676 125 Q HN 0.269 nan 8.270 nan 0.000 0.568 126 G N 1.276 110.072 108.800 -0.008 0.000 2.487 126 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.265 126 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.265 126 G C 0.198 175.092 174.900 -0.010 0.000 0.661 126 G CA -0.030 45.065 45.100 -0.008 0.000 1.031 126 G HN 0.553 nan 8.290 nan 0.000 0.296 127 V N 2.844 122.753 119.914 -0.009 0.000 2.960 127 V HA 0.194 4.314 4.120 -0.000 0.000 0.282 127 V C 0.879 176.972 176.094 -0.001 0.000 1.420 127 V CA 1.325 63.623 62.300 -0.004 0.000 1.448 127 V CB 0.546 32.366 31.823 -0.004 0.000 0.886 127 V HN 1.748 nan 8.190 nan 0.000 0.522 128 S N 5.989 121.690 115.700 0.003 0.000 2.526 128 S HA 0.773 5.243 4.470 -0.000 0.000 0.293 128 S C -0.954 173.653 174.600 0.011 0.000 1.092 128 S CA -0.581 57.622 58.200 0.006 0.000 0.980 128 S CB 1.922 65.125 63.200 0.006 0.000 1.048 128 S HN 1.198 nan 8.310 nan 0.000 0.483 129 V N 2.764 122.686 119.914 0.013 0.000 2.509 129 V HA 0.700 4.820 4.120 -0.000 0.000 0.284 129 V C 0.076 176.183 176.094 0.021 0.000 1.047 129 V CA -0.536 61.776 62.300 0.021 0.000 0.952 129 V CB 0.336 32.174 31.823 0.024 0.000 0.988 129 V HN 1.072 nan 8.190 nan 0.000 0.469 130 E N 3.112 123.328 120.200 0.028 0.000 2.445 130 E HA 0.554 4.904 4.350 -0.000 0.000 0.279 130 E C -1.704 174.918 176.600 0.038 0.000 1.018 130 E CA -1.359 55.057 56.400 0.028 0.000 0.816 130 E CB 2.410 32.123 29.700 0.022 0.000 1.356 130 E HN 0.685 nan 8.360 nan 0.000 0.462 131 K N 0.612 121.031 120.400 0.032 0.000 2.293 131 K HA 0.623 4.943 4.320 -0.000 0.000 0.267 131 K C -0.523 176.095 176.600 0.029 0.000 1.010 131 K CA -0.497 55.813 56.287 0.037 0.000 0.875 131 K CB 1.599 34.115 32.500 0.026 0.000 1.106 131 K HN 0.708 nan 8.250 nan 0.000 0.450 132 S N 1.771 117.489 115.700 0.030 0.000 2.979 132 S HA 0.313 4.783 4.470 -0.000 0.000 0.302 132 S C -1.290 173.322 174.600 0.020 0.000 1.250 132 S CA -0.756 57.459 58.200 0.025 0.000 1.148 132 S CB 0.303 63.515 63.200 0.021 0.000 1.409 132 S HN 0.604 nan 8.310 nan 0.000 0.517 133 S N 1.493 117.201 115.700 0.013 0.000 2.565 133 S HA 0.548 5.018 4.470 -0.000 0.000 0.290 133 S C 1.269 175.857 174.600 -0.019 0.000 1.150 133 S CA -0.111 58.098 58.200 0.015 0.000 1.058 133 S CB 1.342 64.565 63.200 0.039 0.000 1.032 133 S HN 1.304 nan 8.310 nan 0.000 0.510 134 S N 1.658 117.341 115.700 -0.029 0.000 2.399 134 S HA -0.050 4.420 4.470 -0.000 0.000 0.231 134 S C 0.866 175.387 174.600 -0.133 0.000 1.022 134 S CA 0.624 58.770 58.200 -0.090 0.000 0.983 134 S CB -0.496 62.643 63.200 -0.102 0.000 0.803 134 S HN 0.663 nan 8.310 nan 0.000 0.480 135 S N 0.147 115.826 115.700 -0.036 0.000 2.718 135 S HA 0.694 5.164 4.470 -0.000 0.000 0.292 135 S C -0.707 173.929 174.600 0.059 0.000 1.125 135 S CA -0.820 57.424 58.200 0.074 0.000 1.013 135 S CB 0.193 63.494 63.200 0.169 0.000 1.192 135 S HN 0.281 nan 8.310 nan 0.000 0.535 136 F N 0.682 120.827 119.950 0.324 0.000 2.443 136 F HA 0.388 4.915 4.527 -0.000 0.000 0.335 136 F C 1.271 177.211 175.800 0.232 0.000 1.104 136 F CA -0.621 57.533 58.000 0.256 0.000 1.013 136 F CB 0.985 40.116 39.000 0.218 0.000 1.136 136 F HN 0.407 nan 8.300 nan 0.000 0.470 137 L N 3.218 124.644 121.223 0.339 0.000 2.263 137 L HA -0.085 4.255 4.340 -0.000 0.000 0.216 137 L C 0.105 177.097 176.870 0.202 0.000 1.111 137 L CA 1.409 56.386 54.840 0.228 0.000 0.773 137 L CB -0.207 41.946 42.059 0.157 0.000 0.906 137 L HN 0.839 nan 8.230 nan 0.000 0.439 138 M N -1.835 117.917 119.600 0.254 0.000 2.521 138 M HA 0.134 4.614 4.480 -0.000 0.000 0.236 138 M C -2.420 173.856 176.300 -0.040 0.000 0.825 138 M CA -0.281 55.073 55.300 0.090 0.000 0.856 138 M CB 0.366 33.009 32.600 0.072 0.000 1.827 138 M HN -0.344 nan 8.290 nan 0.000 0.600 139 V N 4.428 124.221 119.914 -0.202 0.000 2.638 139 V HA 0.752 4.872 4.120 -0.000 0.000 0.306 139 V C -1.004 174.833 176.094 -0.428 0.000 1.052 139 V CA -0.635 61.402 62.300 -0.438 0.000 0.885 139 V CB 2.263 33.562 31.823 -0.874 0.000 0.999 139 V HN 0.704 nan 8.190 nan 0.000 0.424 140 V N 4.492 124.178 119.914 -0.380 0.000 2.289 140 V HA 0.488 4.608 4.120 -0.000 0.000 0.272 140 V C 0.990 176.798 176.094 -0.477 0.000 1.026 140 V CA -0.337 61.724 62.300 -0.398 0.000 0.807 140 V CB 1.093 32.771 31.823 -0.242 0.000 1.044 140 V HN 1.009 nan 8.190 nan 0.000 0.443 141 G N 3.106 111.495 108.800 -0.684 0.000 2.818 141 G HA2 0.275 4.234 3.960 -0.000 0.000 0.235 141 G HA3 0.275 4.234 3.960 -0.000 0.000 0.235 141 G C -0.433 174.242 174.900 -0.376 0.000 1.244 141 G CA 0.208 45.006 45.100 -0.504 0.000 0.853 141 G HN 0.756 nan 8.290 nan 0.000 0.596 142 V N 3.044 122.822 119.914 -0.227 0.000 2.857 142 V HA 0.187 4.307 4.120 -0.000 0.000 0.267 142 V C -0.491 175.534 176.094 -0.115 0.000 1.193 142 V CA -0.755 61.420 62.300 -0.209 0.000 0.933 142 V CB 0.966 32.709 31.823 -0.132 0.000 1.073 142 V HN 0.778 nan 8.190 nan 0.000 0.479 143 I N 3.924 124.421 120.570 -0.121 0.000 3.449 143 I HA 0.659 4.829 4.170 -0.000 0.000 0.294 143 I C -0.797 175.268 176.117 -0.086 0.000 1.163 143 I CA -0.607 60.677 61.300 -0.026 0.000 1.010 143 I CB 2.393 40.447 38.000 0.089 0.000 1.307 143 I HN 0.763 nan 8.210 nan 0.000 0.518 144 N N 0.791 119.461 118.700 -0.050 0.000 2.295 144 N HA 0.181 4.921 4.740 -0.000 0.000 0.293 144 N C -0.134 175.355 175.510 -0.036 0.000 1.040 144 N CA -0.226 52.779 53.050 -0.076 0.000 0.840 144 N CB 2.091 40.528 38.487 -0.083 0.000 1.468 144 N HN 0.549 nan 8.380 nan 0.000 0.478 145 T N 0.830 115.358 114.554 -0.042 0.000 2.614 145 T HA -0.115 4.235 4.350 -0.000 0.000 0.263 145 T C -0.056 174.638 174.700 -0.011 0.000 1.055 145 T CA 1.462 63.551 62.100 -0.019 0.000 1.162 145 T CB -0.376 68.479 68.868 -0.022 0.000 0.863 145 T HN 0.652 nan 8.240 nan 0.000 0.414 146 D N 1.191 121.582 120.400 -0.015 0.000 2.841 146 D HA 0.254 4.894 4.640 -0.000 0.000 0.244 146 D C 1.148 177.446 176.300 -0.004 0.000 1.228 146 D CA 0.040 54.036 54.000 -0.007 0.000 0.872 146 D CB -1.228 39.569 40.800 -0.006 0.000 1.082 146 D HN 0.427 nan 8.370 nan 0.000 0.457 147 G N 1.577 110.376 108.800 -0.002 0.000 2.452 147 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.311 147 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.311 147 G C 1.241 176.144 174.900 0.005 0.000 0.841 147 G CA 1.392 46.494 45.100 0.002 0.000 0.907 147 G HN 0.460 nan 8.290 nan 0.000 0.502 148 T N -2.697 111.857 114.554 -0.001 0.000 3.023 148 T HA 0.346 4.696 4.350 -0.000 0.000 0.266 148 T C 1.221 175.932 174.700 0.017 0.000 1.093 148 T CA 1.351 63.455 62.100 0.006 0.000 1.129 148 T CB -0.075 68.791 68.868 -0.003 0.000 0.899 148 T HN 0.693 nan 8.240 nan 0.000 0.491 149 M N 0.686 120.297 119.600 0.017 0.000 2.744 149 M HA 0.630 5.110 4.480 -0.000 0.000 0.283 149 M C -0.344 175.982 176.300 0.043 0.000 1.275 149 M CA -1.086 54.238 55.300 0.041 0.000 0.796 149 M CB 1.616 34.238 32.600 0.037 0.000 1.739 149 M HN 0.036 nan 8.290 nan 0.000 0.454 150 T N -2.523 112.073 114.554 0.069 0.000 2.876 150 T HA 0.268 4.618 4.350 -0.000 0.000 0.277 150 T C 0.898 175.630 174.700 0.053 0.000 0.997 150 T CA -0.361 61.776 62.100 0.062 0.000 0.966 150 T CB 1.642 70.558 68.868 0.078 0.000 1.312 150 T HN 0.728 nan 8.240 nan 0.000 0.598 151 Q N 0.724 120.551 119.800 0.046 0.000 1.900 151 Q HA -0.198 4.142 4.340 -0.000 0.000 0.219 151 Q C 1.866 177.894 176.000 0.048 0.000 1.012 151 Q CA 2.528 58.352 55.803 0.035 0.000 0.876 151 Q CB -0.733 28.022 28.738 0.028 0.000 0.952 151 Q HN 0.858 nan 8.270 nan 0.000 0.419 152 E N 1.077 121.333 120.200 0.094 0.000 2.024 152 E HA -0.268 4.082 4.350 -0.000 0.000 0.236 152 E C 1.550 178.186 176.600 0.060 0.000 0.995 152 E CA 2.039 58.534 56.400 0.159 0.000 0.904 152 E CB -1.392 28.547 29.700 0.399 0.000 0.823 152 E HN 0.492 nan 8.360 nan 0.000 0.552 153 D N 0.826 121.363 120.400 0.229 0.000 3.305 153 D HA -0.229 4.411 4.640 -0.000 0.000 0.191 153 D C 1.977 178.258 176.300 -0.031 0.000 1.175 153 D CA 1.904 55.986 54.000 0.136 0.000 0.927 153 D CB -0.419 40.491 40.800 0.184 0.000 0.871 153 D HN 0.284 nan 8.370 nan 0.000 0.498 154 I N -0.430 120.127 120.570 -0.021 0.000 2.206 154 I HA -0.206 3.964 4.170 -0.000 0.000 0.239 154 I C 2.415 178.514 176.117 -0.030 0.000 1.078 154 I CA 0.757 62.061 61.300 0.005 0.000 1.367 154 I CB -0.120 37.883 38.000 0.005 0.000 1.078 154 I HN -0.046 nan 8.210 nan 0.000 0.413 155 S N 0.304 115.949 115.700 -0.092 0.000 2.359 155 S HA -0.279 4.191 4.470 -0.000 0.000 0.224 155 S C 1.607 176.080 174.600 -0.211 0.000 1.035 155 S CA 1.983 60.117 58.200 -0.110 0.000 1.018 155 S CB -0.396 62.742 63.200 -0.103 0.000 0.876 155 S HN 0.470 nan 8.310 nan 0.000 0.448 156 D N 0.012 120.123 120.400 -0.482 0.000 2.321 156 D HA -0.248 4.392 4.640 -0.000 0.000 0.194 156 D C 1.687 177.872 176.300 -0.192 0.000 1.013 156 D CA 2.112 55.809 54.000 -0.505 0.000 0.863 156 D CB -0.713 39.413 40.800 -1.124 0.000 1.011 156 D HN 0.493 nan 8.370 nan 0.000 0.457 157 Y N 0.378 120.584 120.300 -0.158 0.000 2.040 157 Y HA -0.300 4.250 4.550 -0.000 0.000 0.275 157 Y C 2.503 178.396 175.900 -0.011 0.000 1.171 157 Y CA 2.319 60.402 58.100 -0.028 0.000 1.123 157 Y CB -0.765 37.713 38.460 0.030 0.000 0.963 157 Y HN -0.012 nan 8.280 nan 0.000 0.493 158 V N 0.257 120.260 119.914 0.147 0.000 2.231 158 V HA -0.442 3.678 4.120 -0.000 0.000 0.250 158 V C 2.569 178.635 176.094 -0.046 0.000 1.058 158 V CA 2.177 64.531 62.300 0.090 0.000 1.022 158 V CB -1.616 30.248 31.823 0.069 0.000 0.640 158 V HN 0.646 nan 8.190 nan 0.000 0.445 159 A N -0.255 122.518 122.820 -0.078 0.000 1.824 159 A HA -0.126 4.194 4.320 -0.000 0.000 0.215 159 A C 2.440 179.945 177.584 -0.131 0.000 1.209 159 A CA 2.335 54.318 52.037 -0.091 0.000 0.614 159 A CB -1.363 17.583 19.000 -0.091 0.000 0.852 159 A HN 0.725 nan 8.150 nan 0.000 0.447 160 A N -0.695 122.033 122.820 -0.154 0.000 2.104 160 A HA -0.272 4.048 4.320 -0.000 0.000 0.223 160 A C 1.904 179.320 177.584 -0.281 0.000 1.164 160 A CA 2.575 54.497 52.037 -0.192 0.000 0.659 160 A CB -0.678 18.210 19.000 -0.186 0.000 0.808 160 A HN 0.615 nan 8.150 nan 0.000 0.465 161 N N -2.536 115.940 118.700 -0.374 0.000 2.407 161 N HA 0.211 4.951 4.740 -0.000 0.000 0.182 161 N C 1.229 176.646 175.510 -0.154 0.000 1.079 161 N CA 1.209 54.008 53.050 -0.419 0.000 0.882 161 N CB 0.262 38.205 38.487 -0.907 0.000 1.106 161 N HN 0.493 nan 8.380 nan 0.000 0.461 162 M N -1.837 117.715 119.600 -0.080 0.000 1.920 162 M HA 0.195 4.675 4.480 -0.000 0.000 0.321 162 M C 1.107 177.399 176.300 -0.013 0.000 0.935 162 M CA -0.029 55.266 55.300 -0.008 0.000 1.128 162 M CB 0.580 33.233 32.600 0.089 0.000 2.120 162 M HN -0.200 nan 8.290 nan 0.000 0.734 163 K N 1.762 122.144 120.400 -0.030 0.000 2.589 163 K HA -0.108 4.212 4.320 -0.000 0.000 0.195 163 K C 0.709 177.290 176.600 -0.031 0.000 1.040 163 K CA 1.370 57.640 56.287 -0.028 0.000 0.950 163 K CB -0.007 32.471 32.500 -0.036 0.000 0.781 163 K HN 0.196 nan 8.250 nan 0.000 0.486 164 D N -0.007 120.368 120.400 -0.041 0.000 1.989 164 D HA 0.017 4.657 4.640 -0.000 0.000 0.259 164 D C 1.728 178.013 176.300 -0.024 0.000 0.992 164 D CA 1.664 55.642 54.000 -0.038 0.000 0.912 164 D CB -0.753 40.015 40.800 -0.054 0.000 1.083 164 D HN 0.113 nan 8.370 nan 0.000 0.441 165 A N 0.459 123.264 122.820 -0.025 0.000 1.888 165 A HA -0.342 3.978 4.320 -0.000 0.000 0.249 165 A C 2.241 179.825 177.584 -0.000 0.000 2.120 165 A CA 2.693 54.723 52.037 -0.012 0.000 0.772 165 A CB -1.422 17.573 19.000 -0.009 0.000 0.844 165 A HN 0.389 nan 8.150 nan 0.000 0.525 166 I N 0.414 120.985 120.570 0.002 0.000 2.454 166 I HA -0.201 3.969 4.170 -0.000 0.000 0.254 166 I C 2.633 178.755 176.117 0.009 0.000 1.156 166 I CA 2.084 63.391 61.300 0.011 0.000 1.433 166 I CB -0.240 37.769 38.000 0.015 0.000 1.082 166 I HN 0.535 nan 8.210 nan 0.000 0.432 167 S N 0.538 116.238 115.700 0.001 0.000 2.456 167 S HA -0.030 4.440 4.470 -0.000 0.000 0.224 167 S C 1.531 176.131 174.600 -0.000 0.000 1.035 167 S CA -0.221 57.981 58.200 0.002 0.000 0.940 167 S CB -0.464 62.735 63.200 -0.001 0.000 0.799 167 S HN 0.519 nan 8.310 nan 0.000 0.508 168 R N 1.667 122.164 120.500 -0.006 0.000 3.441 168 R HA 0.259 4.599 4.340 -0.000 0.000 0.225 168 R C -0.449 175.850 176.300 -0.001 0.000 1.756 168 R CA 0.199 56.296 56.100 -0.006 0.000 1.504 168 R CB -0.843 29.450 30.300 -0.012 0.000 1.183 168 R HN 0.086 nan 8.270 nan 0.000 0.567 169 T N 0.799 115.355 114.554 0.004 0.000 3.031 169 T HA 0.199 4.549 4.350 -0.000 0.000 0.305 169 T C -0.378 174.327 174.700 0.009 0.000 0.985 169 T CA -0.505 61.599 62.100 0.007 0.000 1.008 169 T CB 1.330 70.205 68.868 0.012 0.000 1.005 169 T HN 0.418 nan 8.240 nan 0.000 0.444 170 S N 2.551 118.255 115.700 0.006 0.000 2.548 170 S HA 0.168 4.638 4.470 -0.000 0.000 0.266 170 S C 1.924 176.530 174.600 0.011 0.000 1.374 170 S CA 0.225 58.429 58.200 0.007 0.000 0.997 170 S CB -0.360 62.842 63.200 0.003 0.000 0.855 170 S HN 1.354 nan 8.310 nan 0.000 0.534 171 G N -0.367 108.439 108.800 0.010 0.000 2.497 171 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.305 171 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.305 171 G C 0.358 175.272 174.900 0.024 0.000 1.064 171 G CA 0.964 46.073 45.100 0.015 0.000 0.675 171 G HN 0.901 nan 8.290 nan 0.000 0.585 172 V N 0.547 120.477 119.914 0.026 0.000 2.475 172 V HA 0.405 4.525 4.120 -0.000 0.000 0.292 172 V C 1.251 177.361 176.094 0.027 0.000 1.003 172 V CA 1.239 63.559 62.300 0.033 0.000 1.120 172 V CB 0.876 32.718 31.823 0.032 0.000 0.937 172 V HN 0.594 nan 8.190 nan 0.000 0.476 173 G N 3.731 112.550 108.800 0.031 0.000 4.849 173 G HA2 0.512 4.472 3.960 -0.000 0.000 0.247 173 G HA3 0.512 4.472 3.960 -0.000 0.000 0.247 173 G C -0.591 174.327 174.900 0.029 0.000 1.128 173 G CA -0.061 45.054 45.100 0.025 0.000 0.864 173 G HN 0.722 nan 8.290 nan 0.000 0.567 174 D N -0.155 120.265 120.400 0.033 0.000 3.352 174 D HA -0.144 4.496 4.640 -0.000 0.000 0.131 174 D C -1.011 175.327 176.300 0.062 0.000 0.865 174 D CA -0.211 53.812 54.000 0.039 0.000 1.810 174 D CB -0.470 40.352 40.800 0.036 0.000 2.624 174 D HN 0.241 nan 8.370 nan 0.000 0.855 175 V N 4.697 124.638 119.914 0.045 0.000 2.347 175 V HA 0.458 4.578 4.120 -0.000 0.000 0.280 175 V C 0.819 176.921 176.094 0.014 0.000 1.021 175 V CA -0.812 61.515 62.300 0.045 0.000 0.847 175 V CB 1.508 33.341 31.823 0.017 0.000 0.990 175 V HN 0.410 nan 8.190 nan 0.000 0.444 176 Q N 3.424 123.239 119.800 0.026 0.000 2.443 176 Q HA 0.462 4.802 4.340 -0.000 0.000 0.232 176 Q C -0.603 175.197 176.000 -0.335 0.000 1.026 176 Q CA -0.271 55.474 55.803 -0.096 0.000 0.924 176 Q CB 1.868 30.616 28.738 0.016 0.000 1.256 176 Q HN 0.595 nan 8.270 nan 0.000 0.519 177 L N 1.812 122.844 121.223 -0.318 0.000 2.441 177 L HA 0.392 4.732 4.340 -0.000 0.000 0.270 177 L C -1.529 175.270 176.870 -0.119 0.000 0.973 177 L CA -0.449 54.256 54.840 -0.225 0.000 0.842 177 L CB 0.798 42.807 42.059 -0.083 0.000 1.239 177 L HN 0.584 nan 8.230 nan 0.000 0.406 178 F N 5.201 125.233 119.950 0.137 0.000 2.541 178 F HA 0.618 5.145 4.527 -0.000 0.000 0.351 178 F C 1.103 176.935 175.800 0.052 0.000 1.209 178 F CA 0.172 58.255 58.000 0.139 0.000 1.277 178 F CB 0.852 39.962 39.000 0.184 0.000 1.632 178 F HN 0.688 nan 8.300 nan 0.000 0.619 179 G N 0.344 109.237 108.800 0.156 0.000 2.356 179 G HA2 0.360 4.320 3.960 -0.000 0.000 0.288 179 G HA3 0.360 4.320 3.960 -0.000 0.000 0.288 179 G C -1.787 173.107 174.900 -0.009 0.000 1.302 179 G CA -0.539 44.588 45.100 0.044 0.000 0.887 179 G HN 0.468 nan 8.290 nan 0.000 0.521 180 S N -1.361 114.299 115.700 -0.066 0.000 2.570 180 S HA 0.650 5.120 4.470 -0.000 0.000 0.270 180 S C -0.638 173.893 174.600 -0.115 0.000 1.149 180 S CA 0.081 58.232 58.200 -0.082 0.000 0.837 180 S CB 1.800 64.946 63.200 -0.091 0.000 1.124 180 S HN 1.065 nan 8.310 nan 0.000 0.465 181 Q N 1.352 121.102 119.800 -0.083 0.000 2.317 181 Q HA 0.399 4.739 4.340 -0.000 0.000 0.229 181 Q C -0.931 175.059 176.000 -0.018 0.000 0.984 181 Q CA -0.549 55.189 55.803 -0.108 0.000 0.911 181 Q CB 0.469 29.178 28.738 -0.049 0.000 1.217 181 Q HN 0.766 nan 8.270 nan 0.000 0.501 182 Y N 0.083 120.415 120.300 0.053 0.000 2.550 182 Y HA 0.293 4.843 4.550 -0.000 0.000 0.343 182 Y C 0.345 176.341 175.900 0.160 0.000 1.245 182 Y CA -0.299 57.862 58.100 0.101 0.000 1.462 182 Y CB 0.770 39.316 38.460 0.143 0.000 1.340 182 Y HN 0.632 nan 8.280 nan 0.000 0.604 183 A N 2.803 125.863 122.820 0.399 0.000 2.539 183 A HA 0.573 4.893 4.320 -0.000 0.000 0.296 183 A C -1.085 176.657 177.584 0.262 0.000 1.073 183 A CA -1.031 51.221 52.037 0.359 0.000 0.700 183 A CB 1.324 20.479 19.000 0.258 0.000 1.296 183 A HN 0.596 nan 8.150 nan 0.000 0.405 184 M N 1.918 121.674 119.600 0.260 0.000 2.269 184 M HA 0.257 4.737 4.480 -0.000 0.000 0.350 184 M C -0.257 175.930 176.300 -0.188 0.000 1.429 184 M CA 0.284 55.468 55.300 -0.192 0.000 1.063 184 M CB -0.427 31.828 32.600 -0.575 0.000 1.841 184 M HN 0.543 nan 8.290 nan 0.000 0.455 185 R N 5.695 126.038 120.500 -0.261 0.000 2.534 185 R HA 0.571 4.911 4.340 -0.000 0.000 0.301 185 R C -0.481 175.545 176.300 -0.456 0.000 0.961 185 R CA -0.363 55.509 56.100 -0.380 0.000 0.871 185 R CB 1.190 31.370 30.300 -0.199 0.000 1.170 185 R HN 0.726 nan 8.270 nan 0.000 0.446 186 I N 2.476 122.678 120.570 -0.614 0.000 2.864 186 I HA 0.119 4.289 4.170 -0.000 0.000 0.328 186 I C -0.658 175.260 176.117 -0.332 0.000 1.436 186 I CA -0.586 60.521 61.300 -0.321 0.000 0.821 186 I CB 0.427 38.305 38.000 -0.202 0.000 2.121 186 I HN 0.497 nan 8.210 nan 0.000 0.582 187 W N 3.024 124.307 121.300 -0.028 0.000 2.851 187 W HA -0.019 4.640 4.660 -0.000 0.000 0.447 187 W C 0.983 177.496 176.519 -0.012 0.000 1.025 187 W CA -0.166 57.149 57.345 -0.050 0.000 1.316 187 W CB -0.783 28.615 29.460 -0.105 0.000 1.303 187 W HN 0.255 nan 8.180 nan 0.000 0.559 188 M N 2.430 122.115 119.600 0.143 0.000 2.162 188 M HA -0.094 4.386 4.480 -0.000 0.000 0.273 188 M C 0.904 177.336 176.300 0.219 0.000 1.189 188 M CA 1.039 56.457 55.300 0.196 0.000 1.132 188 M CB 0.201 32.973 32.600 0.287 0.000 1.358 188 M HN 0.551 nan 8.290 nan 0.000 0.430 189 N N 0.162 119.000 118.700 0.231 0.000 2.336 189 N HA 0.334 5.074 4.740 -0.000 0.000 0.290 189 N C -2.747 172.788 175.510 0.041 0.000 1.058 189 N CA -1.571 51.665 53.050 0.310 0.000 0.865 189 N CB 2.688 41.392 38.487 0.361 0.000 1.581 189 N HN 0.125 nan 8.380 nan 0.000 0.480 190 P HA 0.044 nan 4.420 nan 0.000 0.203 190 P C 0.773 177.861 177.300 -0.354 0.000 1.211 190 P CA 0.854 63.493 63.100 -0.769 0.000 0.913 190 P CB 0.218 30.859 31.700 -1.765 0.000 0.745 191 N N -0.213 118.281 118.700 -0.343 0.000 1.272 191 N HA -0.314 4.426 4.740 -0.000 0.000 0.105 191 N C 1.511 176.970 175.510 -0.085 0.000 0.296 191 N CA 2.465 55.408 53.050 -0.177 0.000 0.854 191 N CB -1.590 36.791 38.487 -0.177 0.000 0.580 191 N HN 0.255 nan 8.380 nan 0.000 1.405 192 E N 0.395 120.579 120.200 -0.026 0.000 2.005 192 E HA -0.068 4.282 4.350 -0.000 0.000 0.198 192 E C 2.122 178.791 176.600 0.115 0.000 1.010 192 E CA 1.355 57.799 56.400 0.073 0.000 0.825 192 E CB -0.372 29.435 29.700 0.179 0.000 0.769 192 E HN 0.391 nan 8.360 nan 0.000 0.456 193 L N 1.452 122.741 121.223 0.109 0.000 2.362 193 L HA -0.094 4.246 4.340 -0.000 0.000 0.219 193 L C 1.502 178.440 176.870 0.114 0.000 1.134 193 L CA 1.090 56.022 54.840 0.153 0.000 0.807 193 L CB -1.144 40.998 42.059 0.138 0.000 0.927 193 L HN 0.097 nan 8.230 nan 0.000 0.447 194 N N 0.783 119.520 118.700 0.061 0.000 2.142 194 N HA -0.163 4.577 4.740 -0.000 0.000 0.186 194 N C 1.597 177.099 175.510 -0.013 0.000 1.023 194 N CA 1.112 54.214 53.050 0.087 0.000 0.852 194 N CB -0.135 38.463 38.487 0.186 0.000 0.998 194 N HN 0.572 nan 8.380 nan 0.000 0.424 195 K N 1.243 121.595 120.400 -0.080 0.000 1.996 195 K HA -0.077 4.243 4.320 -0.000 0.000 0.216 195 K C 1.176 177.637 176.600 -0.231 0.000 1.022 195 K CA 0.795 56.934 56.287 -0.247 0.000 1.007 195 K CB -0.513 31.723 32.500 -0.440 0.000 0.946 195 K HN -0.083 nan 8.250 nan 0.000 0.447 196 F N 1.716 121.665 119.950 -0.003 0.000 2.419 196 F HA -0.168 4.359 4.527 -0.000 0.000 0.294 196 F C 0.159 175.963 175.800 0.006 0.000 1.057 196 F CA 1.342 59.344 58.000 0.002 0.000 1.483 196 F CB -0.885 38.121 39.000 0.009 0.000 1.121 196 F HN 0.380 nan 8.300 nan 0.000 0.602 197 Q N -0.417 119.456 119.800 0.123 0.000 2.430 197 Q HA -0.142 4.198 4.340 -0.000 0.000 0.307 197 Q C -1.057 175.008 176.000 0.107 0.000 1.434 197 Q CA 0.134 55.989 55.803 0.086 0.000 0.762 197 Q CB -1.849 26.922 28.738 0.055 0.000 1.093 197 Q HN 0.476 nan 8.270 nan 0.000 0.370 198 L N -0.213 121.085 121.223 0.125 0.000 2.434 198 L HA 0.698 5.038 4.340 -0.000 0.000 0.260 198 L C 0.348 177.300 176.870 0.137 0.000 0.983 198 L CA -0.630 54.282 54.840 0.119 0.000 0.820 198 L CB 2.209 44.342 42.059 0.123 0.000 1.361 198 L HN 0.271 nan 8.230 nan 0.000 0.410 199 T N -2.390 112.244 114.554 0.133 0.000 2.949 199 T HA 0.510 4.859 4.350 -0.000 0.000 0.287 199 T C -2.325 172.477 174.700 0.170 0.000 1.034 199 T CA -2.068 60.135 62.100 0.173 0.000 1.018 199 T CB 2.182 71.133 68.868 0.139 0.000 1.135 199 T HN 0.247 nan 8.240 nan 0.000 0.532 200 P HA -0.114 nan 4.420 nan 0.000 0.216 200 P C 1.830 179.190 177.300 0.100 0.000 1.153 200 P CA 0.891 64.086 63.100 0.157 0.000 0.858 200 P CB -0.352 31.444 31.700 0.159 0.000 0.789 201 V N -0.016 119.952 119.914 0.090 0.000 2.418 201 V HA -0.333 3.787 4.120 -0.000 0.000 0.258 201 V C 1.677 177.799 176.094 0.046 0.000 1.088 201 V CA 2.435 64.768 62.300 0.055 0.000 1.091 201 V CB -1.650 30.202 31.823 0.048 0.000 0.669 201 V HN 0.156 nan 8.190 nan 0.000 0.461 202 D N -0.184 120.253 120.400 0.061 0.000 2.091 202 D HA -0.091 4.549 4.640 -0.000 0.000 0.199 202 D C 2.149 178.477 176.300 0.046 0.000 0.980 202 D CA 1.268 55.297 54.000 0.050 0.000 0.831 202 D CB -0.290 40.545 40.800 0.059 0.000 0.987 202 D HN 0.249 nan 8.370 nan 0.000 0.460 203 V N 1.377 121.327 119.914 0.060 0.000 2.252 203 V HA -0.285 3.835 4.120 -0.000 0.000 0.249 203 V C 2.329 178.447 176.094 0.041 0.000 1.056 203 V CA 1.421 63.754 62.300 0.055 0.000 1.022 203 V CB -0.587 31.275 31.823 0.066 0.000 0.641 203 V HN 0.260 nan 8.190 nan 0.000 0.445 204 I N 0.601 121.192 120.570 0.034 0.000 2.053 204 I HA -0.343 3.827 4.170 -0.000 0.000 0.236 204 I C 2.523 178.651 176.117 0.018 0.000 1.038 204 I CA 2.444 63.753 61.300 0.015 0.000 1.304 204 I CB -1.393 36.605 38.000 -0.002 0.000 1.023 204 I HN 0.370 nan 8.210 nan 0.000 0.395 205 T N 0.950 115.513 114.554 0.016 0.000 2.918 205 T HA -0.149 4.201 4.350 -0.000 0.000 0.271 205 T C 1.919 176.630 174.700 0.019 0.000 1.104 205 T CA 1.079 63.186 62.100 0.011 0.000 1.114 205 T CB -0.519 68.353 68.868 0.007 0.000 0.855 205 T HN 0.533 nan 8.240 nan 0.000 0.518 206 A N 2.176 125.013 122.820 0.028 0.000 1.859 206 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 206 A C 2.302 179.916 177.584 0.051 0.000 1.198 206 A CA 1.658 53.716 52.037 0.036 0.000 0.629 206 A CB -0.834 18.192 19.000 0.044 0.000 0.830 206 A HN 0.571 nan 8.150 nan 0.000 0.446 207 I N -0.529 120.081 120.570 0.066 0.000 2.226 207 I HA -0.296 3.874 4.170 -0.000 0.000 0.245 207 I C 2.432 178.611 176.117 0.103 0.000 1.100 207 I CA 1.828 63.194 61.300 0.111 0.000 1.374 207 I CB -0.588 37.470 38.000 0.097 0.000 1.057 207 I HN 0.315 nan 8.210 nan 0.000 0.413 208 K N 1.607 122.039 120.400 0.053 0.000 1.978 208 K HA -0.161 4.159 4.320 -0.000 0.000 0.214 208 K C 2.386 179.008 176.600 0.036 0.000 1.049 208 K CA 1.687 57.996 56.287 0.038 0.000 0.939 208 K CB -0.539 31.966 32.500 0.008 0.000 0.721 208 K HN 0.300 nan 8.250 nan 0.000 0.441 209 A N 1.688 124.523 122.820 0.025 0.000 1.852 209 A HA -0.295 4.025 4.320 -0.000 0.000 0.217 209 A C 2.187 179.783 177.584 0.019 0.000 1.215 209 A CA 2.100 54.148 52.037 0.018 0.000 0.641 209 A CB -0.893 18.113 19.000 0.010 0.000 0.838 209 A HN 0.321 nan 8.150 nan 0.000 0.450 210 Q N -0.542 119.271 119.800 0.023 0.000 2.369 210 Q HA 0.034 4.374 4.340 -0.000 0.000 0.206 210 Q C 0.653 176.642 176.000 -0.019 0.000 0.963 210 Q CA 0.814 56.616 55.803 -0.002 0.000 0.894 210 Q CB -0.146 28.585 28.738 -0.011 0.000 0.965 210 Q HN 0.741 nan 8.270 nan 0.000 0.475 211 N N 0.237 118.957 118.700 0.034 0.000 2.626 211 N HA 0.532 5.272 4.740 -0.000 0.000 0.242 211 N C -1.741 173.813 175.510 0.074 0.000 1.005 211 N CA -0.195 52.882 53.050 0.046 0.000 0.905 211 N CB 0.578 39.201 38.487 0.226 0.000 1.128 211 N HN 0.073 nan 8.380 nan 0.000 0.512 212 A N 2.609 125.451 122.820 0.035 0.000 2.583 212 A HA 0.325 4.645 4.320 -0.000 0.000 0.298 212 A C -1.649 175.944 177.584 0.015 0.000 1.055 212 A CA -0.626 51.428 52.037 0.029 0.000 0.714 212 A CB 1.796 20.808 19.000 0.020 0.000 1.277 212 A HN 0.589 nan 8.150 nan 0.000 0.406 213 Q N 0.492 120.301 119.800 0.014 0.000 2.365 213 Q HA 0.850 5.190 4.340 -0.000 0.000 0.269 213 Q C -1.188 174.814 176.000 0.003 0.000 1.061 213 Q CA -0.464 55.343 55.803 0.007 0.000 0.816 213 Q CB 2.195 30.938 28.738 0.008 0.000 1.325 213 Q HN 1.248 nan 8.270 nan 0.000 0.446 214 V N 0.791 120.705 119.914 -0.000 0.000 3.285 214 V HA 0.847 4.967 4.120 -0.000 0.000 0.293 214 V C -1.905 174.187 176.094 -0.003 0.000 1.563 214 V CA -0.238 62.061 62.300 -0.002 0.000 1.058 214 V CB 2.507 34.329 31.823 -0.002 0.000 1.142 214 V HN 0.788 nan 8.190 nan 0.000 0.470 215 A N 0.934 123.752 122.820 -0.003 0.000 2.815 215 A HA 0.879 5.199 4.320 -0.000 0.000 0.318 215 A C 0.279 177.861 177.584 -0.004 0.000 1.186 215 A CA 0.434 52.468 52.037 -0.004 0.000 0.754 215 A CB 0.817 19.815 19.000 -0.004 0.000 1.151 215 A HN 1.638 nan 8.150 nan 0.000 0.452 216 A N 1.622 124.440 122.820 -0.004 0.000 3.297 216 A HA 0.676 4.996 4.320 -0.000 0.000 0.150 216 A C 1.224 178.806 177.584 -0.004 0.000 0.871 216 A CA 1.333 53.368 52.037 -0.004 0.000 1.148 216 A CB -0.568 18.430 19.000 -0.004 0.000 0.882 216 A HN 2.186 nan 8.150 nan 0.000 0.534 217 G N -3.102 105.696 108.800 -0.004 0.000 2.450 217 G HA2 0.548 4.508 3.960 -0.000 0.000 0.273 217 G HA3 0.548 4.508 3.960 -0.000 0.000 0.273 217 G C -1.729 173.169 174.900 -0.004 0.000 1.221 217 G CA 0.133 45.230 45.100 -0.004 0.000 0.900 217 G HN 1.284 nan 8.290 nan 0.000 0.483 218 Q N -1.052 118.746 119.800 -0.004 0.000 2.522 218 Q HA 0.518 4.858 4.340 -0.000 0.000 0.285 218 Q C 0.300 176.298 176.000 -0.003 0.000 0.982 218 Q CA -1.010 54.791 55.803 -0.003 0.000 0.805 218 Q CB 1.763 30.499 28.738 -0.003 0.000 1.457 218 Q HN 0.352 nan 8.270 nan 0.000 0.394 219 L N 0.203 121.424 121.223 -0.003 0.000 2.046 219 L HA -0.008 4.332 4.340 -0.000 0.000 0.208 219 L C 1.666 178.534 176.870 -0.003 0.000 1.077 219 L CA 1.687 56.526 54.840 -0.003 0.000 0.747 219 L CB -0.538 41.520 42.059 -0.003 0.000 0.896 219 L HN 1.022 nan 8.230 nan 0.000 0.432 220 G N -0.007 108.792 108.800 -0.003 0.000 3.295 220 G HA2 0.220 4.180 3.960 -0.000 0.000 0.231 220 G HA3 0.220 4.180 3.960 -0.000 0.000 0.231 220 G C 1.026 175.925 174.900 -0.003 0.000 1.277 220 G CA 0.184 45.282 45.100 -0.002 0.000 1.013 220 G HN 0.483 nan 8.290 nan 0.000 0.509 221 G N 0.768 109.566 108.800 -0.003 0.000 2.101 221 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.247 221 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.247 221 G C 1.227 176.125 174.900 -0.003 0.000 0.740 221 G CA 0.719 45.817 45.100 -0.003 0.000 1.130 221 G HN 0.661 nan 8.290 nan 0.000 0.342 222 T N 1.180 115.732 114.554 -0.003 0.000 3.054 222 T HA -0.316 4.034 4.350 -0.000 0.000 0.203 222 T C -0.531 174.168 174.700 -0.003 0.000 1.452 222 T CA 2.139 64.237 62.100 -0.003 0.000 1.052 222 T CB -1.732 67.134 68.868 -0.003 0.000 0.890 222 T HN 0.756 nan 8.240 nan 0.000 0.529 223 P HA 0.443 nan 4.420 nan 0.000 0.270 223 P C -2.121 175.177 177.300 -0.003 0.000 1.551 223 P CA -1.525 61.573 63.100 -0.003 0.000 1.049 223 P CB 1.293 32.991 31.700 -0.003 0.000 1.397 224 P HA 0.337 nan 4.420 nan 0.000 0.344 224 P C -0.700 176.599 177.300 -0.002 0.000 1.321 224 P CA -0.415 62.684 63.100 -0.002 0.000 0.773 224 P CB 0.613 32.311 31.700 -0.002 0.000 1.723 225 V N -4.795 115.118 119.914 -0.002 0.000 2.914 225 V HA 0.506 4.626 4.120 -0.000 0.000 0.314 225 V C 1.339 177.432 176.094 -0.002 0.000 1.084 225 V CA -0.886 61.413 62.300 -0.002 0.000 0.963 225 V CB 1.569 33.391 31.823 -0.002 0.000 1.025 225 V HN 0.576 nan 8.190 nan 0.000 0.432 226 K N 2.864 123.263 120.400 -0.002 0.000 2.303 226 K HA -0.249 4.071 4.320 -0.000 0.000 0.196 226 K C 0.758 177.357 176.600 -0.002 0.000 0.688 226 K CA 2.730 59.017 56.287 -0.002 0.000 1.007 226 K CB -1.374 31.125 32.500 -0.001 0.000 0.582 226 K HN 1.889 nan 8.250 nan 0.000 0.876 227 G N 1.401 110.200 108.800 -0.002 0.000 2.975 227 G HA2 0.423 4.383 3.960 -0.000 0.000 0.299 227 G HA3 0.423 4.383 3.960 -0.000 0.000 0.299 227 G C -1.295 173.604 174.900 -0.001 0.000 1.587 227 G CA 0.018 45.117 45.100 -0.001 0.000 1.052 227 G HN 0.436 nan 8.290 nan 0.000 0.545 228 Q N 1.534 121.333 119.800 -0.002 0.000 2.321 228 Q HA 0.504 4.844 4.340 -0.000 0.000 0.270 228 Q C 0.234 176.233 176.000 -0.002 0.000 1.032 228 Q CA -0.862 54.940 55.803 -0.002 0.000 0.784 228 Q CB 1.753 30.490 28.738 -0.002 0.000 1.264 228 Q HN 0.610 nan 8.270 nan 0.000 0.448 229 Q N 3.397 123.196 119.800 -0.001 0.000 2.225 229 Q HA 0.307 4.647 4.340 -0.000 0.000 0.177 229 Q C -0.210 175.789 176.000 -0.002 0.000 1.073 229 Q CA -0.811 54.991 55.803 -0.001 0.000 1.134 229 Q CB 0.436 29.173 28.738 -0.001 0.000 1.210 229 Q HN 0.773 nan 8.270 nan 0.000 0.599 230 L N 1.505 122.727 121.223 -0.002 0.000 3.382 230 L HA -0.242 4.098 4.340 -0.000 0.000 0.517 230 L C -1.459 175.410 176.870 -0.002 0.000 1.002 230 L CA 1.553 56.392 54.840 -0.002 0.000 1.175 230 L CB -1.172 40.886 42.059 -0.002 0.000 0.949 230 L HN 1.153 nan 8.230 nan 0.000 0.667 231 N N 3.710 122.408 118.700 -0.002 0.000 2.310 231 N HA 0.839 5.579 4.740 -0.000 0.000 0.292 231 N C -1.071 174.438 175.510 -0.002 0.000 1.049 231 N CA 0.064 53.112 53.050 -0.002 0.000 0.849 231 N CB 1.873 40.359 38.487 -0.002 0.000 1.532 231 N HN 0.913 nan 8.380 nan 0.000 0.479 232 A N 2.018 124.837 122.820 -0.002 0.000 2.594 232 A HA 0.455 4.775 4.320 -0.000 0.000 0.296 232 A C -0.494 177.088 177.584 -0.003 0.000 1.056 232 A CA -0.666 51.370 52.037 -0.003 0.000 0.693 232 A CB 1.218 20.216 19.000 -0.002 0.000 1.278 232 A HN 0.566 nan 8.150 nan 0.000 0.408 233 S N -0.203 115.495 115.700 -0.003 0.000 2.540 233 S HA 0.228 4.698 4.470 -0.000 0.000 0.272 233 S C 0.103 174.701 174.600 -0.003 0.000 1.357 233 S CA 0.494 58.692 58.200 -0.003 0.000 1.011 233 S CB -0.086 63.112 63.200 -0.004 0.000 0.852 233 S HN 0.478 nan 8.310 nan 0.000 0.535 234 I N 2.338 122.906 120.570 -0.004 0.000 2.410 234 I HA 0.328 4.498 4.170 -0.000 0.000 0.286 234 I C -1.157 174.957 176.117 -0.004 0.000 1.009 234 I CA -0.541 60.757 61.300 -0.004 0.000 1.111 234 I CB 1.453 39.450 38.000 -0.004 0.000 1.262 234 I HN 0.358 nan 8.210 nan 0.000 0.443 235 I N 5.867 126.434 120.570 -0.004 0.000 2.321 235 I HA 0.475 4.645 4.170 -0.000 0.000 0.291 235 I C 0.626 176.740 176.117 -0.005 0.000 0.998 235 I CA 0.308 61.605 61.300 -0.004 0.000 1.227 235 I CB 1.551 39.549 38.000 -0.004 0.000 1.368 235 I HN 0.659 nan 8.210 nan 0.000 0.466 236 A N 5.010 127.827 122.820 -0.005 0.000 3.658 236 A HA 0.427 4.747 4.320 -0.000 0.000 0.188 236 A C 0.183 177.763 177.584 -0.007 0.000 1.601 236 A CA -0.224 51.809 52.037 -0.006 0.000 1.765 236 A CB -0.387 18.610 19.000 -0.006 0.000 1.546 236 A HN 0.588 nan 8.150 nan 0.000 0.555 237 Q N 0.280 120.075 119.800 -0.008 0.000 2.283 237 Q HA 0.215 4.555 4.340 -0.000 0.000 0.301 237 Q C -0.314 175.681 176.000 -0.009 0.000 1.063 237 Q CA 0.605 56.402 55.803 -0.010 0.000 0.952 237 Q CB 0.240 28.973 28.738 -0.008 0.000 1.166 237 Q HN 0.643 nan 8.270 nan 0.000 0.381 238 T N 3.029 117.575 114.554 -0.013 0.000 2.888 238 T HA 0.478 4.828 4.350 -0.000 0.000 0.283 238 T C -0.562 174.130 174.700 -0.013 0.000 1.013 238 T CA -0.674 61.420 62.100 -0.010 0.000 0.938 238 T CB 0.774 69.636 68.868 -0.010 0.000 1.298 238 T HN 0.552 nan 8.240 nan 0.000 0.580 239 R N 0.369 120.868 120.500 -0.001 0.000 2.460 239 R HA 0.566 4.906 4.340 -0.000 0.000 0.303 239 R C -0.475 175.822 176.300 -0.005 0.000 0.968 239 R CA -0.476 55.638 56.100 0.023 0.000 0.889 239 R CB 0.426 30.754 30.300 0.047 0.000 1.123 239 R HN 0.470 nan 8.270 nan 0.000 0.455 240 L N 1.089 122.266 121.223 -0.077 0.000 2.482 240 L HA 0.268 4.608 4.340 -0.000 0.000 0.242 240 L C 0.978 177.789 176.870 -0.099 0.000 1.210 240 L CA 0.084 54.762 54.840 -0.269 0.000 0.819 240 L CB 1.082 42.660 42.059 -0.802 0.000 1.203 240 L HN 0.751 nan 8.230 nan 0.000 0.495 241 T N -1.905 112.571 114.554 -0.128 0.000 3.252 241 T HA 0.115 4.465 4.350 -0.000 0.000 0.295 241 T C -0.291 174.439 174.700 0.050 0.000 0.897 241 T CA 0.268 62.409 62.100 0.069 0.000 0.905 241 T CB 0.049 68.969 68.868 0.087 0.000 1.202 241 T HN 0.701 nan 8.240 nan 0.000 0.592 242 S N -0.643 115.026 115.700 -0.051 0.000 2.579 242 S HA 0.421 4.891 4.470 -0.000 0.000 0.272 242 S C 1.370 175.976 174.600 0.009 0.000 1.141 242 S CA 0.356 58.546 58.200 -0.016 0.000 0.843 242 S CB 1.162 64.362 63.200 -0.000 0.000 1.122 242 S HN 0.182 nan 8.310 nan 0.000 0.468 243 T N 0.289 114.853 114.554 0.017 0.000 2.684 243 T HA -0.276 4.074 4.350 -0.000 0.000 0.267 243 T C 1.390 176.146 174.700 0.093 0.000 1.032 243 T CA 2.069 64.200 62.100 0.052 0.000 1.155 243 T CB -1.012 67.866 68.868 0.016 0.000 0.857 243 T HN 0.786 nan 8.240 nan 0.000 0.457 244 E N 1.021 121.241 120.200 0.034 0.000 2.007 244 E HA -0.193 4.157 4.350 -0.000 0.000 0.194 244 E C 2.484 179.076 176.600 -0.013 0.000 0.999 244 E CA 1.254 57.661 56.400 0.013 0.000 0.811 244 E CB -0.060 29.639 29.700 -0.001 0.000 0.762 244 E HN 0.556 nan 8.360 nan 0.000 0.450 245 E N 0.025 120.178 120.200 -0.078 0.000 2.113 245 E HA -0.257 4.093 4.350 -0.000 0.000 0.210 245 E C 2.047 178.540 176.600 -0.178 0.000 1.040 245 E CA 1.569 57.867 56.400 -0.170 0.000 0.847 245 E CB -0.663 28.857 29.700 -0.300 0.000 0.755 245 E HN 0.325 nan 8.360 nan 0.000 0.459 246 F N 0.635 120.558 119.950 -0.044 0.000 2.011 246 F HA -0.142 4.385 4.527 -0.000 0.000 0.296 246 F C 2.578 178.360 175.800 -0.030 0.000 1.144 246 F CA 1.553 59.528 58.000 -0.041 0.000 1.185 246 F CB -0.614 38.347 39.000 -0.065 0.000 0.961 246 F HN 0.124 nan 8.300 nan 0.000 0.485 247 G N -0.334 108.576 108.800 0.183 0.000 3.124 247 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.212 247 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.212 247 G C 0.811 175.733 174.900 0.037 0.000 1.181 247 G CA -0.151 45.004 45.100 0.092 0.000 0.803 247 G HN 0.316 nan 8.290 nan 0.000 0.529 248 K N 0.132 120.543 120.400 0.019 0.000 2.551 248 K HA 0.308 4.628 4.320 -0.000 0.000 0.204 248 K C 0.391 176.985 176.600 -0.010 0.000 1.033 248 K CA -0.324 55.960 56.287 -0.005 0.000 1.187 248 K CB 0.529 33.018 32.500 -0.018 0.000 0.900 248 K HN 0.267 nan 8.250 nan 0.000 0.499 249 I N 2.205 122.781 120.570 0.011 0.000 2.575 249 I HA -0.027 4.143 4.170 -0.000 0.000 0.285 249 I C -0.260 175.854 176.117 -0.005 0.000 1.085 249 I CA -0.852 60.454 61.300 0.009 0.000 1.403 249 I CB 0.714 38.744 38.000 0.051 0.000 1.409 249 I HN 0.091 nan 8.210 nan 0.000 0.557 250 L N 8.281 129.496 121.223 -0.014 0.000 2.278 250 L HA 0.241 4.581 4.340 -0.000 0.000 0.287 250 L C -0.058 176.800 176.870 -0.021 0.000 1.072 250 L CA 0.401 55.226 54.840 -0.025 0.000 0.819 250 L CB 0.664 42.709 42.059 -0.022 0.000 1.176 250 L HN 0.689 nan 8.230 nan 0.000 0.435 251 L N 4.229 125.429 121.223 -0.038 0.000 2.185 251 L HA 0.217 4.557 4.340 -0.000 0.000 0.198 251 L C 0.726 177.584 176.870 -0.021 0.000 1.079 251 L CA 0.513 55.336 54.840 -0.029 0.000 0.780 251 L CB 0.112 42.138 42.059 -0.054 0.000 0.955 251 L HN 0.783 nan 8.230 nan 0.000 0.462 252 K N -0.088 120.288 120.400 -0.040 0.000 2.578 252 K HA 0.307 4.627 4.320 -0.000 0.000 0.269 252 K C -1.306 175.277 176.600 -0.028 0.000 0.941 252 K CA -0.619 55.657 56.287 -0.019 0.000 0.847 252 K CB 2.119 34.624 32.500 0.009 0.000 1.397 252 K HN -0.102 nan 8.250 nan 0.000 0.422 253 V N 0.703 120.610 119.914 -0.011 0.000 2.607 253 V HA 0.458 4.578 4.120 -0.000 0.000 0.289 253 V C -0.126 175.978 176.094 0.015 0.000 1.053 253 V CA -0.738 61.560 62.300 -0.004 0.000 0.996 253 V CB 0.915 32.736 31.823 -0.003 0.000 0.995 253 V HN 0.722 nan 8.190 nan 0.000 0.476 254 N N 2.583 121.297 118.700 0.024 0.000 2.477 254 N HA 0.272 5.012 4.740 -0.000 0.000 0.284 254 N C 0.890 176.416 175.510 0.027 0.000 1.182 254 N CA -0.681 52.392 53.050 0.039 0.000 0.949 254 N CB 1.497 40.020 38.487 0.059 0.000 1.204 254 N HN 0.693 nan 8.380 nan 0.000 0.526 255 Q N 0.810 120.626 119.800 0.027 0.000 2.047 255 Q HA -0.178 4.162 4.340 -0.000 0.000 0.211 255 Q C 0.030 176.040 176.000 0.017 0.000 1.005 255 Q CA 1.636 57.450 55.803 0.019 0.000 0.866 255 Q CB -0.632 28.116 28.738 0.017 0.000 0.938 255 Q HN 0.689 nan 8.270 nan 0.000 0.414 256 D N -0.483 119.930 120.400 0.022 0.000 2.948 256 D HA 0.072 4.712 4.640 -0.000 0.000 0.241 256 D C 0.941 177.253 176.300 0.021 0.000 1.198 256 D CA 0.640 54.652 54.000 0.021 0.000 0.926 256 D CB -1.070 39.745 40.800 0.025 0.000 1.151 256 D HN 0.344 nan 8.370 nan 0.000 0.441 257 G N 0.434 109.244 108.800 0.016 0.000 2.340 257 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.302 257 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.302 257 G C 0.626 175.532 174.900 0.011 0.000 1.027 257 G CA 0.860 45.967 45.100 0.011 0.000 0.695 257 G HN 0.504 nan 8.290 nan 0.000 0.541 258 S N 0.177 115.889 115.700 0.020 0.000 2.481 258 S HA 0.367 4.837 4.470 -0.000 0.000 0.282 258 S C 1.054 175.656 174.600 0.004 0.000 1.243 258 S CA -0.425 57.786 58.200 0.018 0.000 1.078 258 S CB 0.213 63.440 63.200 0.044 0.000 0.916 258 S HN 0.501 nan 8.310 nan 0.000 0.495 259 R N 2.017 122.505 120.500 -0.020 0.000 2.643 259 R HA 0.312 4.652 4.340 -0.000 0.000 0.270 259 R C -0.220 176.012 176.300 -0.112 0.000 1.061 259 R CA -0.240 55.831 56.100 -0.048 0.000 1.107 259 R CB 0.433 30.707 30.300 -0.043 0.000 0.999 259 R HN 0.430 nan 8.270 nan 0.000 0.460 260 V N 1.534 121.355 119.914 -0.156 0.000 2.667 260 V HA 0.577 4.697 4.120 -0.000 0.000 0.308 260 V C -0.133 175.844 176.094 -0.194 0.000 1.048 260 V CA -1.059 61.066 62.300 -0.292 0.000 0.928 260 V CB 1.623 33.166 31.823 -0.466 0.000 1.004 260 V HN 0.501 nan 8.190 nan 0.000 0.444 261 L N 2.500 123.601 121.223 -0.203 0.000 2.341 261 L HA 0.490 4.830 4.340 -0.000 0.000 0.267 261 L C 0.925 177.734 176.870 -0.101 0.000 1.009 261 L CA -0.720 54.055 54.840 -0.108 0.000 0.819 261 L CB 2.430 44.439 42.059 -0.083 0.000 1.323 261 L HN 0.705 nan 8.230 nan 0.000 0.425 262 L N 1.067 122.267 121.223 -0.038 0.000 2.456 262 L HA -0.060 4.280 4.340 -0.000 0.000 0.224 262 L C 2.352 179.228 176.870 0.011 0.000 1.148 262 L CA 1.083 55.919 54.840 -0.005 0.000 0.825 262 L CB -0.300 41.777 42.059 0.030 0.000 0.937 262 L HN 0.676 nan 8.230 nan 0.000 0.450 263 R N -0.163 120.340 120.500 0.005 0.000 2.193 263 R HA -0.139 4.201 4.340 -0.000 0.000 0.229 263 R C 1.166 177.475 176.300 0.015 0.000 1.110 263 R CA 1.465 57.576 56.100 0.019 0.000 0.988 263 R CB -0.084 30.227 30.300 0.018 0.000 0.871 263 R HN 0.482 nan 8.270 nan 0.000 0.458 264 D N -0.533 119.852 120.400 -0.024 0.000 2.349 264 D HA -0.058 4.582 4.640 -0.000 0.000 0.224 264 D C 0.541 176.854 176.300 0.022 0.000 1.029 264 D CA 0.575 54.549 54.000 -0.043 0.000 0.879 264 D CB 0.937 41.607 40.800 -0.216 0.000 0.906 264 D HN 0.125 nan 8.370 nan 0.000 0.528 265 V N -0.707 119.233 119.914 0.044 0.000 2.967 265 V HA 0.617 4.737 4.120 -0.000 0.000 0.364 265 V C -1.093 175.063 176.094 0.104 0.000 1.373 265 V CA -0.014 62.346 62.300 0.100 0.000 1.193 265 V CB 0.176 32.054 31.823 0.091 0.000 1.236 265 V HN 0.018 nan 8.190 nan 0.000 0.582 266 A N 1.272 124.150 122.820 0.096 0.000 2.045 266 A HA 0.376 4.696 4.320 -0.000 0.000 0.298 266 A C -0.415 177.233 177.584 0.106 0.000 1.052 266 A CA -0.248 51.849 52.037 0.100 0.000 0.961 266 A CB 0.330 19.374 19.000 0.074 0.000 1.350 266 A HN 0.510 nan 8.150 nan 0.000 0.352 267 K N 1.692 122.168 120.400 0.126 0.000 2.494 267 K HA 0.432 4.752 4.320 -0.000 0.000 0.273 267 K C -0.627 176.077 176.600 0.172 0.000 0.970 267 K CA 0.479 56.837 56.287 0.119 0.000 0.963 267 K CB 0.300 32.851 32.500 0.084 0.000 0.913 267 K HN 0.597 nan 8.250 nan 0.000 0.502 268 I N 3.818 124.473 120.570 0.142 0.000 2.576 268 I HA 0.113 4.283 4.170 -0.000 0.000 0.279 268 I C -1.527 174.652 176.117 0.103 0.000 1.114 268 I CA -0.573 60.795 61.300 0.113 0.000 1.076 268 I CB 1.600 39.634 38.000 0.057 0.000 1.212 268 I HN 0.724 nan 8.210 nan 0.000 0.472 269 E N 6.066 126.368 120.200 0.170 0.000 2.275 269 E HA 0.472 4.822 4.350 -0.000 0.000 0.270 269 E C -1.015 175.627 176.600 0.071 0.000 0.882 269 E CA -1.039 55.421 56.400 0.099 0.000 0.758 269 E CB 2.016 31.759 29.700 0.072 0.000 1.195 269 E HN 0.158 nan 8.360 nan 0.000 0.419 270 L N 2.490 123.669 121.223 -0.074 0.000 2.769 270 L HA 0.219 4.559 4.340 -0.000 0.000 0.293 270 L C 0.650 177.401 176.870 -0.199 0.000 1.224 270 L CA 1.856 56.587 54.840 -0.182 0.000 0.906 270 L CB -0.245 41.630 42.059 -0.306 0.000 1.193 270 L HN 0.852 nan 8.230 nan 0.000 0.488 271 G N 2.603 111.386 108.800 -0.028 0.000 3.140 271 G HA2 0.641 4.601 3.960 -0.000 0.000 0.271 271 G HA3 0.641 4.601 3.960 -0.000 0.000 0.271 271 G C -0.223 174.897 174.900 0.367 0.000 1.370 271 G CA -0.366 44.862 45.100 0.213 0.000 1.014 271 G HN 0.888 nan 8.290 nan 0.000 0.541 272 G N -1.177 107.693 108.800 0.117 0.000 2.554 272 G HA2 0.348 4.308 3.960 -0.000 0.000 0.238 272 G HA3 0.348 4.308 3.960 -0.000 0.000 0.238 272 G C 0.468 175.365 174.900 -0.005 0.000 1.259 272 G CA -0.019 45.001 45.100 -0.133 0.000 0.843 272 G HN 0.583 nan 8.290 nan 0.000 0.582 273 E N 0.053 120.228 120.200 -0.042 0.000 2.216 273 E HA -0.016 4.334 4.350 -0.000 0.000 0.192 273 E C 0.399 176.869 176.600 -0.217 0.000 0.988 273 E CA 0.611 56.937 56.400 -0.124 0.000 0.834 273 E CB 0.160 29.836 29.700 -0.040 0.000 0.772 273 E HN 0.560 nan 8.360 nan 0.000 0.479 274 N N -0.612 118.008 118.700 -0.134 0.000 2.648 274 N HA 0.085 4.825 4.740 -0.000 0.000 0.272 274 N C -1.707 173.757 175.510 -0.077 0.000 1.118 274 N CA -0.374 52.636 53.050 -0.065 0.000 0.973 274 N CB 0.930 39.382 38.487 -0.059 0.000 1.565 274 N HN -0.052 nan 8.380 nan 0.000 0.542 275 Y N 1.585 121.908 120.300 0.038 0.000 2.603 275 Y HA 0.107 4.657 4.550 -0.000 0.000 0.341 275 Y C 0.592 176.512 175.900 0.034 0.000 1.272 275 Y CA 0.064 58.197 58.100 0.054 0.000 1.891 275 Y CB -0.062 38.445 38.460 0.077 0.000 1.910 275 Y HN 0.588 nan 8.280 nan 0.000 0.432 276 D N -0.072 120.382 120.400 0.089 0.000 2.415 276 D HA 0.213 4.853 4.640 -0.000 0.000 0.269 276 D C 0.486 176.823 176.300 0.062 0.000 1.099 276 D CA 0.557 54.600 54.000 0.073 0.000 0.865 276 D CB 0.835 41.660 40.800 0.041 0.000 1.359 276 D HN 0.289 nan 8.370 nan 0.000 0.506 277 I N 0.601 121.207 120.570 0.060 0.000 2.982 277 I HA 0.524 4.694 4.170 -0.000 0.000 0.312 277 I C -0.358 175.788 176.117 0.049 0.000 1.041 277 I CA -0.858 60.491 61.300 0.082 0.000 1.053 277 I CB 2.552 40.640 38.000 0.146 0.000 1.248 277 I HN -0.296 nan 8.210 nan 0.000 0.471 278 I N 1.593 122.178 120.570 0.024 0.000 2.746 278 I HA 0.534 4.704 4.170 -0.000 0.000 0.290 278 I C -1.591 174.471 176.117 -0.092 0.000 1.600 278 I CA -0.286 61.002 61.300 -0.021 0.000 1.019 278 I CB 2.140 40.125 38.000 -0.026 0.000 1.426 278 I HN 0.786 nan 8.210 nan 0.000 0.460 279 A N 5.289 128.015 122.820 -0.158 0.000 2.547 279 A HA 0.623 4.943 4.320 -0.000 0.000 0.300 279 A C -1.578 175.793 177.584 -0.355 0.000 1.061 279 A CA -0.744 51.084 52.037 -0.347 0.000 0.808 279 A CB 1.390 20.022 19.000 -0.612 0.000 1.304 279 A HN 0.523 nan 8.150 nan 0.000 0.393 280 E N 2.044 122.061 120.200 -0.306 0.000 2.195 280 E HA 0.511 4.861 4.350 -0.000 0.000 0.271 280 E C -1.298 175.244 176.600 -0.095 0.000 0.923 280 E CA -0.714 55.598 56.400 -0.147 0.000 0.790 280 E CB 2.105 31.751 29.700 -0.091 0.000 1.155 280 E HN 0.490 nan 8.360 nan 0.000 0.402 281 F N 3.699 123.592 119.950 -0.095 0.000 2.438 281 F HA 0.166 4.693 4.527 -0.000 0.000 0.360 281 F C 0.435 176.242 175.800 0.011 0.000 1.118 281 F CA -0.911 57.114 58.000 0.042 0.000 1.164 281 F CB -0.350 38.717 39.000 0.112 0.000 1.131 281 F HN 0.477 nan 8.300 nan 0.000 0.527 282 N N 4.688 123.157 118.700 -0.386 0.000 2.714 282 N HA -0.221 4.519 4.740 -0.000 0.000 0.252 282 N C 1.179 176.566 175.510 -0.205 0.000 1.014 282 N CA 1.226 54.047 53.050 -0.383 0.000 0.735 282 N CB -1.124 36.982 38.487 -0.635 0.000 0.924 282 N HN 1.207 nan 8.380 nan 0.000 0.540 283 G N -0.819 107.915 108.800 -0.110 0.000 2.550 283 G HA2 -0.416 3.544 3.960 -0.000 0.000 0.233 283 G HA3 -0.416 3.544 3.960 -0.000 0.000 0.233 283 G C 0.203 175.075 174.900 -0.048 0.000 1.170 283 G CA 0.777 45.839 45.100 -0.063 0.000 0.693 283 G HN 0.574 nan 8.290 nan 0.000 0.512 284 Q N 2.133 121.907 119.800 -0.044 0.000 2.379 284 Q HA 0.306 4.646 4.340 -0.000 0.000 0.320 284 Q C -2.186 173.825 176.000 0.018 0.000 1.153 284 Q CA 0.415 56.221 55.803 0.005 0.000 0.993 284 Q CB 0.538 29.307 28.738 0.052 0.000 1.265 284 Q HN 0.415 nan 8.270 nan 0.000 0.423 285 P HA 0.319 nan 4.420 nan 0.000 0.301 285 P C -1.541 175.772 177.300 0.021 0.000 1.348 285 P CA -0.065 63.035 63.100 0.001 0.000 0.826 285 P CB 1.684 33.383 31.700 -0.001 0.000 0.945 286 A N 2.368 125.196 122.820 0.012 0.000 4.015 286 A HA 0.934 5.254 4.320 -0.000 0.000 0.233 286 A C -0.599 177.012 177.584 0.045 0.000 0.909 286 A CA -0.551 51.514 52.037 0.045 0.000 0.683 286 A CB 0.935 20.005 19.000 0.116 0.000 1.540 286 A HN 0.482 nan 8.150 nan 0.000 0.809 287 S N -3.030 112.750 115.700 0.133 0.000 2.714 287 S HA 0.574 5.044 4.470 -0.000 0.000 0.284 287 S C -0.597 174.153 174.600 0.249 0.000 1.019 287 S CA 0.565 58.884 58.200 0.199 0.000 0.856 287 S CB 0.834 64.098 63.200 0.107 0.000 1.075 287 S HN 2.622 nan 8.310 nan 0.000 0.455 288 G N 1.247 110.262 108.800 0.359 0.000 2.321 288 G HA2 0.472 4.432 3.960 -0.000 0.000 0.296 288 G HA3 0.472 4.432 3.960 -0.000 0.000 0.296 288 G C -2.462 172.572 174.900 0.225 0.000 1.287 288 G CA -0.664 44.538 45.100 0.171 0.000 0.846 288 G HN 0.811 nan 8.290 nan 0.000 0.508 289 L N 0.807 122.063 121.223 0.054 0.000 2.343 289 L HA 0.721 5.061 4.340 -0.000 0.000 0.275 289 L C 1.356 178.223 176.870 -0.005 0.000 1.056 289 L CA -0.036 54.799 54.840 -0.008 0.000 0.804 289 L CB 0.906 42.949 42.059 -0.026 0.000 1.203 289 L HN 0.883 nan 8.230 nan 0.000 0.440 290 G N 1.655 110.347 108.800 -0.181 0.000 2.621 290 G HA2 0.679 4.639 3.960 -0.000 0.000 0.271 290 G HA3 0.679 4.639 3.960 -0.000 0.000 0.271 290 G C -0.547 174.444 174.900 0.152 0.000 1.236 290 G CA -0.355 44.721 45.100 -0.040 0.000 0.958 290 G HN 0.492 nan 8.290 nan 0.000 0.512 291 I N 0.011 120.804 120.570 0.372 0.000 2.715 291 I HA 0.235 4.405 4.170 -0.000 0.000 0.288 291 I C -0.949 175.325 176.117 0.261 0.000 1.371 291 I CA -0.703 60.736 61.300 0.231 0.000 1.056 291 I CB 2.303 40.376 38.000 0.122 0.000 1.339 291 I HN 0.388 nan 8.210 nan 0.000 0.425 292 K N 5.930 126.423 120.400 0.154 0.000 2.267 292 K HA 0.637 4.957 4.320 -0.000 0.000 0.246 292 K C -1.108 175.535 176.600 0.072 0.000 0.954 292 K CA -0.918 55.426 56.287 0.094 0.000 0.824 292 K CB 3.168 35.681 32.500 0.022 0.000 1.167 292 K HN 0.447 nan 8.250 nan 0.000 0.431 293 L N 2.296 123.556 121.223 0.062 0.000 2.276 293 L HA 0.314 4.654 4.340 -0.000 0.000 0.286 293 L C -0.109 176.784 176.870 0.038 0.000 1.024 293 L CA -0.511 54.361 54.840 0.053 0.000 0.826 293 L CB 1.389 43.484 42.059 0.061 0.000 1.211 293 L HN 0.837 nan 8.230 nan 0.000 0.422 294 A N 3.118 125.956 122.820 0.029 0.000 2.520 294 A HA 0.200 4.519 4.320 -0.000 0.000 0.235 294 A C 1.583 179.180 177.584 0.020 0.000 1.065 294 A CA 0.536 52.586 52.037 0.022 0.000 0.764 294 A CB 0.177 19.186 19.000 0.015 0.000 1.002 294 A HN 0.982 nan 8.150 nan 0.000 0.502 295 T N 1.030 115.596 114.554 0.020 0.000 2.481 295 T HA -0.356 3.994 4.350 -0.000 0.000 0.229 295 T C 1.676 176.385 174.700 0.016 0.000 1.382 295 T CA 2.521 64.632 62.100 0.020 0.000 1.082 295 T CB -1.168 67.707 68.868 0.013 0.000 0.821 295 T HN 1.429 nan 8.240 nan 0.000 0.457 296 G N 1.489 110.292 108.800 0.007 0.000 2.656 296 G HA2 0.542 4.502 3.960 -0.000 0.000 0.211 296 G HA3 0.542 4.502 3.960 -0.000 0.000 0.211 296 G C 0.687 175.587 174.900 -0.001 0.000 1.137 296 G CA 0.368 45.467 45.100 -0.001 0.000 0.802 296 G HN 0.990 nan 8.290 nan 0.000 0.527 297 A N 0.361 123.184 122.820 0.004 0.000 2.310 297 A HA 0.416 4.736 4.320 -0.000 0.000 0.260 297 A C 0.339 177.922 177.584 -0.002 0.000 1.112 297 A CA -0.402 51.636 52.037 0.001 0.000 0.804 297 A CB 0.096 19.098 19.000 0.005 0.000 1.081 297 A HN 0.190 nan 8.150 nan 0.000 0.499 298 N N 0.255 118.950 118.700 -0.008 0.000 2.405 298 N HA 0.255 4.995 4.740 -0.000 0.000 0.260 298 N C 1.243 176.749 175.510 -0.007 0.000 1.152 298 N CA 0.595 53.636 53.050 -0.015 0.000 0.948 298 N CB 1.027 39.500 38.487 -0.024 0.000 1.111 298 N HN 0.621 nan 8.380 nan 0.000 0.485 299 A N 4.904 127.722 122.820 -0.005 0.000 1.923 299 A HA -0.245 4.075 4.320 -0.000 0.000 0.222 299 A C 2.148 179.730 177.584 -0.002 0.000 1.258 299 A CA 1.605 53.645 52.037 0.005 0.000 0.670 299 A CB -0.745 18.254 19.000 -0.001 0.000 0.834 299 A HN 0.743 nan 8.150 nan 0.000 0.470 300 L N -0.287 120.924 121.223 -0.021 0.000 2.017 300 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 300 L C 2.123 178.987 176.870 -0.010 0.000 1.073 300 L CA 1.816 56.644 54.840 -0.021 0.000 0.745 300 L CB -0.554 41.482 42.059 -0.037 0.000 0.894 300 L HN 0.499 nan 8.230 nan 0.000 0.432 301 D N -2.058 118.336 120.400 -0.010 0.000 2.277 301 D HA -0.100 4.540 4.640 -0.000 0.000 0.208 301 D C 1.940 178.242 176.300 0.004 0.000 0.962 301 D CA 0.986 54.983 54.000 -0.005 0.000 0.865 301 D CB -0.456 40.340 40.800 -0.007 0.000 0.939 301 D HN 0.257 nan 8.370 nan 0.000 0.510 302 T N 1.093 115.652 114.554 0.008 0.000 2.684 302 T HA 0.024 4.374 4.350 -0.000 0.000 0.253 302 T C 2.153 176.866 174.700 0.021 0.000 1.057 302 T CA 1.556 63.666 62.100 0.017 0.000 1.162 302 T CB -0.512 68.369 68.868 0.022 0.000 0.868 302 T HN 0.218 nan 8.240 nan 0.000 0.409 303 A N 2.067 124.901 122.820 0.022 0.000 1.873 303 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 303 A C 2.624 180.222 177.584 0.024 0.000 1.269 303 A CA 3.108 55.162 52.037 0.028 0.000 0.671 303 A CB -1.620 17.393 19.000 0.021 0.000 0.842 303 A HN 0.630 nan 8.150 nan 0.000 0.460 304 A N -0.776 122.051 122.820 0.011 0.000 1.920 304 A HA -0.189 4.131 4.320 -0.000 0.000 0.229 304 A C 2.602 180.198 177.584 0.020 0.000 1.516 304 A CA 3.929 55.971 52.037 0.008 0.000 0.714 304 A CB -1.520 17.480 19.000 0.001 0.000 0.845 304 A HN 1.659 nan 8.150 nan 0.000 0.493 305 A N -0.467 122.365 122.820 0.020 0.000 1.835 305 A HA -0.071 4.249 4.320 -0.000 0.000 0.215 305 A C 2.102 179.706 177.584 0.033 0.000 1.199 305 A CA 1.641 53.692 52.037 0.024 0.000 0.615 305 A CB -0.835 18.175 19.000 0.018 0.000 0.838 305 A HN 0.631 nan 8.150 nan 0.000 0.444 306 I N -0.898 119.694 120.570 0.037 0.000 2.151 306 I HA -0.429 3.741 4.170 -0.000 0.000 0.236 306 I C 2.785 178.941 176.117 0.064 0.000 1.000 306 I CA 2.389 63.718 61.300 0.048 0.000 1.285 306 I CB -0.606 37.426 38.000 0.053 0.000 0.994 306 I HN 0.316 nan 8.210 nan 0.000 0.396 307 R N 0.316 120.858 120.500 0.070 0.000 2.096 307 R HA -0.058 4.282 4.340 -0.000 0.000 0.235 307 R C 1.776 178.126 176.300 0.083 0.000 1.127 307 R CA 1.371 57.531 56.100 0.100 0.000 0.968 307 R CB -0.256 30.091 30.300 0.079 0.000 0.861 307 R HN 0.475 nan 8.270 nan 0.000 0.440 308 A N 0.137 122.990 122.820 0.054 0.000 2.462 308 A HA 0.063 4.383 4.320 -0.000 0.000 0.261 308 A C 1.132 178.744 177.584 0.047 0.000 1.323 308 A CA -0.151 51.915 52.037 0.049 0.000 0.913 308 A CB 0.141 19.161 19.000 0.033 0.000 1.028 308 A HN 0.070 nan 8.150 nan 0.000 0.511 309 E N 0.458 120.689 120.200 0.052 0.000 2.012 309 E HA -0.019 4.331 4.350 -0.000 0.000 0.192 309 E C 1.592 178.229 176.600 0.063 0.000 0.977 309 E CA 0.900 57.328 56.400 0.048 0.000 0.832 309 E CB -0.561 29.164 29.700 0.041 0.000 0.790 309 E HN 0.328 nan 8.360 nan 0.000 0.466 310 L N 1.368 122.639 121.223 0.079 0.000 2.017 310 L HA -0.343 3.997 4.340 -0.000 0.000 0.234 310 L C 2.496 179.426 176.870 0.100 0.000 1.097 310 L CA 2.803 57.707 54.840 0.107 0.000 0.816 310 L CB -1.530 40.608 42.059 0.132 0.000 0.914 310 L HN 0.337 nan 8.230 nan 0.000 0.444 311 A N -0.678 122.210 122.820 0.112 0.000 1.962 311 A HA -0.463 3.857 4.320 -0.000 0.000 0.239 311 A C 2.328 179.943 177.584 0.052 0.000 1.810 311 A CA 3.075 55.163 52.037 0.085 0.000 0.738 311 A CB -1.097 17.950 19.000 0.079 0.000 0.839 311 A HN 0.557 nan 8.150 nan 0.000 0.533 312 K N -0.500 119.936 120.400 0.059 0.000 2.555 312 K HA 0.067 4.386 4.320 -0.000 0.000 0.193 312 K C 1.240 177.916 176.600 0.127 0.000 1.032 312 K CA 1.230 57.563 56.287 0.076 0.000 1.004 312 K CB -0.171 32.367 32.500 0.063 0.000 0.804 312 K HN 0.767 nan 8.250 nan 0.000 0.496 313 M N -1.606 118.041 119.600 0.079 0.000 2.747 313 M HA 0.208 4.688 4.480 -0.000 0.000 0.402 313 M C -0.380 175.777 176.300 -0.238 0.000 1.238 313 M CA -0.071 55.277 55.300 0.081 0.000 0.877 313 M CB 0.921 33.541 32.600 0.032 0.000 1.424 313 M HN -0.049 nan 8.290 nan 0.000 0.511 314 E N 1.364 121.396 120.200 -0.280 0.000 2.206 314 E HA 0.144 4.494 4.350 -0.000 0.000 0.195 314 E C -1.155 175.176 176.600 -0.448 0.000 0.935 314 E CA 0.252 56.372 56.400 -0.467 0.000 0.875 314 E CB -0.023 29.680 29.700 0.005 0.000 0.841 314 E HN 0.439 nan 8.360 nan 0.000 0.477 315 P HA -0.076 nan 4.420 nan 0.000 0.250 315 P C -0.290 176.550 177.300 -0.765 0.000 1.239 315 P CA 0.882 63.584 63.100 -0.663 0.000 0.756 315 P CB -0.413 30.779 31.700 -0.846 0.000 1.013 316 F N -2.323 117.438 119.950 -0.316 0.000 2.856 316 F HA 0.303 4.830 4.527 -0.000 0.000 0.333 316 F C 0.510 176.246 175.800 -0.106 0.000 1.200 316 F CA -1.409 56.500 58.000 -0.152 0.000 1.128 316 F CB -1.050 37.907 39.000 -0.072 0.000 1.172 316 F HN -0.258 nan 8.300 nan 0.000 0.511 317 F N 0.347 120.381 119.950 0.140 0.000 2.406 317 F HA 0.650 5.177 4.527 -0.000 0.000 0.327 317 F C -1.731 173.958 175.800 -0.184 0.000 1.153 317 F CA -2.704 55.184 58.000 -0.186 0.000 1.218 317 F CB -0.669 38.000 39.000 -0.552 0.000 1.215 317 F HN -0.241 nan 8.300 nan 0.000 0.570 318 P HA -0.095 nan 4.420 nan 0.000 0.269 318 P C 0.727 178.019 177.300 -0.013 0.000 1.205 318 P CA 0.861 63.940 63.100 -0.036 0.000 0.780 318 P CB 0.535 32.150 31.700 -0.141 0.000 0.858 319 S N 1.341 117.045 115.700 0.007 0.000 1.804 319 S HA -0.272 4.198 4.470 -0.000 0.000 0.535 319 S C 0.874 175.461 174.600 -0.022 0.000 0.917 319 S CA 1.583 59.782 58.200 -0.001 0.000 3.364 319 S CB -1.966 61.233 63.200 -0.003 0.000 2.342 319 S HN 0.878 nan 8.310 nan 0.000 0.586 320 G N 0.750 109.515 108.800 -0.058 0.000 2.990 320 G HA2 0.649 4.609 3.960 -0.000 0.000 0.300 320 G HA3 0.649 4.609 3.960 -0.000 0.000 0.300 320 G C -1.554 173.257 174.900 -0.149 0.000 1.498 320 G CA -0.271 44.783 45.100 -0.076 0.000 1.074 320 G HN 0.854 nan 8.290 nan 0.000 0.542 321 L N 1.863 122.926 121.223 -0.266 0.000 2.555 321 L HA 0.543 4.883 4.340 -0.000 0.000 0.264 321 L C -0.708 175.762 176.870 -0.667 0.000 0.972 321 L CA -0.614 53.942 54.840 -0.473 0.000 0.876 321 L CB 1.827 43.478 42.059 -0.680 0.000 1.216 321 L HN 0.359 nan 8.230 nan 0.000 0.415 322 K N 6.094 126.237 120.400 -0.429 0.000 2.358 322 K HA 0.504 4.824 4.320 -0.000 0.000 0.260 322 K C -0.565 175.820 176.600 -0.359 0.000 0.956 322 K CA -0.682 55.398 56.287 -0.345 0.000 0.834 322 K CB 1.083 33.486 32.500 -0.162 0.000 1.102 322 K HN 0.645 nan 8.250 nan 0.000 0.431 323 I N 5.319 125.677 120.570 -0.354 0.000 2.828 323 I HA -0.129 4.041 4.170 -0.000 0.000 0.292 323 I C 1.049 176.861 176.117 -0.508 0.000 1.206 323 I CA 0.031 61.088 61.300 -0.406 0.000 1.420 323 I CB 0.089 37.886 38.000 -0.338 0.000 1.368 323 I HN 0.413 nan 8.210 nan 0.000 0.556 324 V N 6.273 125.825 119.914 -0.604 0.000 3.602 324 V HA 0.387 4.507 4.120 -0.000 0.000 0.285 324 V C -0.447 175.097 176.094 -0.917 0.000 1.187 324 V CA -0.092 61.823 62.300 -0.641 0.000 0.940 324 V CB 1.458 32.813 31.823 -0.779 0.000 1.250 324 V HN 0.663 nan 8.190 nan 0.000 0.455 325 Y N -0.186 119.881 120.300 -0.389 0.000 2.810 325 Y HA 0.435 4.985 4.550 -0.000 0.000 0.244 325 Y C -2.347 173.400 175.900 -0.255 0.000 1.092 325 Y CA -1.295 56.647 58.100 -0.264 0.000 1.130 325 Y CB 0.444 38.815 38.460 -0.149 0.000 1.219 325 Y HN 0.565 nan 8.280 nan 0.000 0.616 326 P HA -0.133 nan 4.420 nan 0.000 0.280 326 P C -0.186 177.037 177.300 -0.129 0.000 1.278 326 P CA -0.036 62.978 63.100 -0.143 0.000 0.787 326 P CB 0.400 31.958 31.700 -0.236 0.000 1.163 327 Y N 0.386 120.553 120.300 -0.221 0.000 2.415 327 Y HA -0.230 4.320 4.550 -0.000 0.000 0.416 327 Y C -0.219 175.529 175.900 -0.253 0.000 1.055 327 Y CA 0.805 58.756 58.100 -0.249 0.000 1.512 327 Y CB -0.830 37.416 38.460 -0.357 0.000 1.107 327 Y HN 0.255 nan 8.280 nan 0.000 0.437 328 D N 4.000 124.229 120.400 -0.286 0.000 2.970 328 D HA 0.207 4.847 4.640 -0.000 0.000 0.230 328 D C 0.394 176.578 176.300 -0.193 0.000 1.276 328 D CA -0.025 53.866 54.000 -0.182 0.000 0.910 328 D CB 1.297 42.070 40.800 -0.045 0.000 1.590 328 D HN 0.377 nan 8.370 nan 0.000 0.551 329 T N -0.350 114.119 114.554 -0.142 0.000 3.015 329 T HA 0.045 4.395 4.350 -0.000 0.000 0.250 329 T C 1.579 176.313 174.700 0.057 0.000 1.057 329 T CA 0.961 63.010 62.100 -0.085 0.000 1.066 329 T CB -0.335 68.472 68.868 -0.103 0.000 0.959 329 T HN 0.348 nan 8.240 nan 0.000 0.488 330 T N 3.594 118.173 114.554 0.042 0.000 2.502 330 T HA -0.189 4.161 4.350 -0.000 0.000 0.238 330 T C -0.477 174.273 174.700 0.084 0.000 1.324 330 T CA 2.598 64.726 62.100 0.046 0.000 1.111 330 T CB -1.791 67.085 68.868 0.015 0.000 0.835 330 T HN 0.453 nan 8.240 nan 0.000 0.449 331 P HA 0.038 nan 4.420 nan 0.000 0.220 331 P C 1.483 178.899 177.300 0.194 0.000 1.152 331 P CA 0.846 64.006 63.100 0.101 0.000 0.812 331 P CB -0.297 31.447 31.700 0.073 0.000 0.792 332 F N 1.313 121.361 119.950 0.164 0.000 2.043 332 F HA -0.227 4.300 4.527 -0.000 0.000 0.297 332 F C 2.160 177.996 175.800 0.061 0.000 1.121 332 F CA 1.610 59.730 58.000 0.200 0.000 1.199 332 F CB -1.048 38.116 39.000 0.272 0.000 0.968 332 F HN -0.309 nan 8.300 nan 0.000 0.478 333 V N 0.511 120.581 119.914 0.260 0.000 2.568 333 V HA -0.307 3.813 4.120 -0.000 0.000 0.253 333 V C 2.426 178.445 176.094 -0.126 0.000 1.072 333 V CA 2.241 64.539 62.300 -0.004 0.000 1.084 333 V CB -0.617 31.177 31.823 -0.049 0.000 0.676 333 V HN 0.390 nan 8.190 nan 0.000 0.469 334 K N -0.407 119.958 120.400 -0.060 0.000 1.973 334 K HA -0.187 4.133 4.320 -0.000 0.000 0.212 334 K C 1.827 178.374 176.600 -0.088 0.000 1.047 334 K CA 2.041 58.289 56.287 -0.064 0.000 0.937 334 K CB -0.283 32.200 32.500 -0.029 0.000 0.721 334 K HN 0.289 nan 8.250 nan 0.000 0.440 335 I N 1.079 121.588 120.570 -0.102 0.000 2.032 335 I HA -0.378 3.792 4.170 -0.000 0.000 0.231 335 I C 2.363 178.357 176.117 -0.204 0.000 1.035 335 I CA 1.875 63.103 61.300 -0.120 0.000 1.312 335 I CB -1.199 36.763 38.000 -0.063 0.000 1.041 335 I HN 0.438 nan 8.210 nan 0.000 0.390 336 S N 0.933 116.346 115.700 -0.478 0.000 2.343 336 S HA -0.380 4.090 4.470 -0.000 0.000 0.324 336 S C 2.087 176.529 174.600 -0.264 0.000 1.144 336 S CA 2.746 60.627 58.200 -0.533 0.000 1.548 336 S CB -1.205 61.445 63.200 -0.917 0.000 1.368 336 S HN 0.409 nan 8.310 nan 0.000 0.477 337 I N 1.129 121.560 120.570 -0.232 0.000 2.700 337 I HA -0.133 4.037 4.170 -0.000 0.000 0.261 337 I C 2.615 178.673 176.117 -0.098 0.000 1.219 337 I CA 1.628 62.822 61.300 -0.178 0.000 1.463 337 I CB -0.577 37.309 38.000 -0.190 0.000 1.092 337 I HN 0.605 nan 8.210 nan 0.000 0.452 338 H N 0.876 119.863 119.070 -0.138 0.000 2.344 338 H HA -0.128 4.428 4.556 -0.000 0.000 0.307 338 H C 1.896 177.182 175.328 -0.069 0.000 1.057 338 H CA 1.373 57.370 56.048 -0.084 0.000 1.373 338 H CB 0.168 29.890 29.762 -0.068 0.000 1.421 338 H HN 0.106 nan 8.280 nan 0.000 0.532 339 E N 0.595 120.878 120.200 0.138 0.000 2.330 339 E HA -0.231 4.119 4.350 -0.000 0.000 0.239 339 E C 2.342 178.927 176.600 -0.024 0.000 1.097 339 E CA 2.501 58.919 56.400 0.030 0.000 1.031 339 E CB -0.773 28.889 29.700 -0.064 0.000 0.885 339 E HN 0.309 nan 8.360 nan 0.000 0.479 340 V N -0.568 119.319 119.914 -0.045 0.000 2.221 340 V HA -0.332 3.788 4.120 -0.000 0.000 0.244 340 V C 2.398 178.459 176.094 -0.055 0.000 1.043 340 V CA 1.942 64.238 62.300 -0.007 0.000 0.996 340 V CB -1.149 30.667 31.823 -0.012 0.000 0.636 340 V HN 0.303 nan 8.190 nan 0.000 0.454 341 V N -0.107 119.734 119.914 -0.121 0.000 2.354 341 V HA -0.526 3.594 4.120 -0.000 0.000 0.250 341 V C 2.565 178.557 176.094 -0.170 0.000 1.088 341 V CA 2.983 65.176 62.300 -0.179 0.000 1.104 341 V CB -0.791 30.849 31.823 -0.304 0.000 0.847 341 V HN 0.635 nan 8.190 nan 0.000 0.468 342 K N -0.898 119.373 120.400 -0.215 0.000 2.044 342 K HA -0.223 4.097 4.320 -0.000 0.000 0.210 342 K C 1.940 178.528 176.600 -0.021 0.000 1.049 342 K CA 2.139 58.380 56.287 -0.077 0.000 0.927 342 K CB -0.649 31.850 32.500 -0.001 0.000 0.713 342 K HN 0.694 nan 8.250 nan 0.000 0.443 343 T N 1.886 116.435 114.554 -0.008 0.000 2.778 343 T HA -0.151 4.199 4.350 -0.000 0.000 0.269 343 T C 1.816 176.535 174.700 0.032 0.000 1.050 343 T CA 1.042 63.156 62.100 0.022 0.000 1.137 343 T CB -0.140 68.753 68.868 0.042 0.000 0.860 343 T HN 0.117 nan 8.240 nan 0.000 0.468 344 L N 0.854 122.087 121.223 0.017 0.000 2.022 344 L HA -0.035 4.305 4.340 -0.000 0.000 0.204 344 L C 2.919 179.792 176.870 0.004 0.000 1.076 344 L CA 1.265 56.120 54.840 0.024 0.000 0.749 344 L CB -0.812 41.259 42.059 0.021 0.000 0.903 344 L HN 0.247 nan 8.230 nan 0.000 0.439 345 V N -1.035 118.867 119.914 -0.019 0.000 2.250 345 V HA -0.362 3.758 4.120 -0.000 0.000 0.250 345 V C 2.201 178.297 176.094 0.003 0.000 1.060 345 V CA 2.468 64.753 62.300 -0.024 0.000 1.030 345 V CB -0.714 31.090 31.823 -0.031 0.000 0.643 345 V HN 0.623 nan 8.190 nan 0.000 0.445 346 E N 0.816 121.026 120.200 0.016 0.000 2.035 346 E HA -0.254 4.096 4.350 -0.000 0.000 0.204 346 E C 2.038 178.670 176.600 0.053 0.000 1.025 346 E CA 2.023 58.446 56.400 0.037 0.000 0.835 346 E CB -0.517 29.205 29.700 0.036 0.000 0.764 346 E HN 0.772 nan 8.360 nan 0.000 0.457 347 A N 0.193 123.046 122.820 0.056 0.000 2.235 347 A HA 0.053 4.373 4.320 -0.000 0.000 0.208 347 A C 1.882 179.512 177.584 0.077 0.000 1.172 347 A CA 0.085 52.169 52.037 0.078 0.000 0.786 347 A CB -0.377 18.678 19.000 0.092 0.000 0.804 347 A HN 0.325 nan 8.150 nan 0.000 0.479 348 I N -0.125 120.471 120.570 0.044 0.000 2.315 348 I HA -0.199 3.971 4.170 -0.000 0.000 0.248 348 I C 1.596 177.747 176.117 0.058 0.000 1.117 348 I CA 0.919 62.228 61.300 0.015 0.000 1.404 348 I CB -0.015 37.958 38.000 -0.044 0.000 1.071 348 I HN 0.277 nan 8.210 nan 0.000 0.419 349 I N 0.204 120.828 120.570 0.090 0.000 3.226 349 I HA -0.084 4.086 4.170 -0.000 0.000 0.277 349 I C 2.212 178.445 176.117 0.193 0.000 1.243 349 I CA 0.949 62.350 61.300 0.168 0.000 1.459 349 I CB -0.844 37.238 38.000 0.137 0.000 1.093 349 I HN 0.199 nan 8.210 nan 0.000 0.453 350 L N -0.127 121.184 121.223 0.147 0.000 2.034 350 L HA -0.044 4.296 4.340 -0.000 0.000 0.203 350 L C 2.674 179.646 176.870 0.170 0.000 1.074 350 L CA 0.726 55.654 54.840 0.146 0.000 0.748 350 L CB -1.271 40.858 42.059 0.118 0.000 0.905 350 L HN -0.050 nan 8.230 nan 0.000 0.439 351 V N 0.476 120.484 119.914 0.157 0.000 2.313 351 V HA -0.364 3.756 4.120 -0.000 0.000 0.253 351 V C 2.522 178.749 176.094 0.222 0.000 1.070 351 V CA 2.210 64.604 62.300 0.157 0.000 1.057 351 V CB -0.701 31.191 31.823 0.114 0.000 0.653 351 V HN 0.315 nan 8.190 nan 0.000 0.450 352 F N -0.009 119.960 119.950 0.032 0.000 2.147 352 F HA -0.221 4.306 4.527 0.000 0.000 0.301 352 F C 2.002 177.792 175.800 -0.017 0.000 1.084 352 F CA 1.674 59.672 58.000 -0.002 0.000 1.268 352 F CB -0.556 38.434 39.000 -0.017 0.000 1.009 352 F HN 0.095 nan 8.300 nan 0.000 0.486 353 L N -1.162 120.143 121.223 0.137 0.000 1.993 353 L HA -0.163 4.177 4.340 -0.000 0.000 0.206 353 L C 2.284 179.294 176.870 0.232 0.000 1.074 353 L CA 1.090 55.980 54.840 0.082 0.000 0.746 353 L CB -1.333 40.795 42.059 0.115 0.000 0.896 353 L HN -0.211 nan 8.230 nan 0.000 0.435 354 V N -0.178 119.884 119.914 0.247 0.000 2.982 354 V HA -0.204 3.916 4.120 -0.000 0.000 0.265 354 V C 1.756 178.043 176.094 0.322 0.000 1.122 354 V CA 0.969 63.464 62.300 0.324 0.000 1.143 354 V CB -0.628 31.326 31.823 0.219 0.000 0.726 354 V HN 0.395 nan 8.190 nan 0.000 0.507 355 M N -1.048 118.702 119.600 0.250 0.000 2.729 355 M HA 0.206 4.686 4.480 -0.000 0.000 0.229 355 M C 0.750 177.239 176.300 0.315 0.000 1.280 355 M CA 0.342 55.785 55.300 0.239 0.000 1.012 355 M CB -0.932 31.785 32.600 0.196 0.000 1.603 355 M HN 0.409 nan 8.290 nan 0.000 0.452 356 Y N -0.935 119.468 120.300 0.171 0.000 3.199 356 Y HA 0.237 4.787 4.550 -0.000 0.000 0.211 356 Y C 1.557 177.508 175.900 0.086 0.000 0.959 356 Y CA -0.056 58.078 58.100 0.056 0.000 1.528 356 Y CB -0.128 38.322 38.460 -0.017 0.000 1.487 356 Y HN 0.023 nan 8.280 nan 0.000 0.403 357 L N -0.128 121.274 121.223 0.299 0.000 2.230 357 L HA -0.302 4.038 4.340 -0.000 0.000 0.217 357 L C 1.274 178.075 176.870 -0.115 0.000 1.090 357 L CA 2.020 56.956 54.840 0.159 0.000 0.771 357 L CB -0.668 41.571 42.059 0.300 0.000 0.892 357 L HN 0.203 nan 8.230 nan 0.000 0.438 358 F N -2.365 117.639 119.950 0.091 0.000 2.706 358 F HA 0.186 4.713 4.527 -0.000 0.000 0.308 358 F C 1.717 177.499 175.800 -0.030 0.000 1.095 358 F CA 0.012 58.021 58.000 0.014 0.000 1.244 358 F CB 0.059 39.122 39.000 0.105 0.000 1.063 358 F HN -0.144 nan 8.300 nan 0.000 0.582 359 L N -1.355 119.966 121.223 0.163 0.000 2.614 359 L HA 0.166 4.506 4.340 -0.000 0.000 0.185 359 L C 0.674 177.516 176.870 -0.047 0.000 1.098 359 L CA 0.374 55.260 54.840 0.077 0.000 0.852 359 L CB -0.047 42.094 42.059 0.138 0.000 1.213 359 L HN -0.066 nan 8.230 nan 0.000 0.491 360 Q N 0.027 119.774 119.800 -0.089 0.000 2.464 360 Q HA -0.126 4.214 4.340 -0.000 0.000 0.246 360 Q C -0.414 175.450 176.000 -0.225 0.000 0.763 360 Q CA 0.417 55.993 55.803 -0.379 0.000 1.233 360 Q CB -1.608 26.888 28.738 -0.403 0.000 1.361 360 Q HN 0.563 nan 8.270 nan 0.000 0.699 361 N N -1.214 117.488 118.700 0.002 0.000 2.471 361 N HA 0.511 5.251 4.740 -0.000 0.000 0.288 361 N C -0.022 175.476 175.510 -0.020 0.000 1.220 361 N CA -0.602 52.438 53.050 -0.018 0.000 0.893 361 N CB 0.632 39.142 38.487 0.039 0.000 1.256 361 N HN -0.151 nan 8.380 nan 0.000 0.534 362 F N 1.168 121.203 119.950 0.142 0.000 2.304 362 F HA 0.260 4.787 4.527 -0.000 0.000 0.267 362 F C 2.383 178.255 175.800 0.121 0.000 1.062 362 F CA 0.470 58.532 58.000 0.104 0.000 1.112 362 F CB -0.439 38.611 39.000 0.084 0.000 1.118 362 F HN 0.245 nan 8.300 nan 0.000 0.575 363 R N 0.429 121.133 120.500 0.340 0.000 2.200 363 R HA -0.080 4.260 4.340 -0.000 0.000 0.234 363 R C 1.775 178.175 176.300 0.166 0.000 1.127 363 R CA 1.077 57.300 56.100 0.205 0.000 0.989 363 R CB -0.729 29.651 30.300 0.134 0.000 0.869 363 R HN 0.273 nan 8.270 nan 0.000 0.459 364 A N -0.119 122.796 122.820 0.158 0.000 2.218 364 A HA 0.046 4.366 4.320 -0.000 0.000 0.209 364 A C 1.499 179.171 177.584 0.147 0.000 1.168 364 A CA 0.688 52.800 52.037 0.125 0.000 0.804 364 A CB 0.212 19.267 19.000 0.092 0.000 0.834 364 A HN 0.159 nan 8.150 nan 0.000 0.482 365 T N -0.323 114.347 114.554 0.193 0.000 3.098 365 T HA 0.122 4.472 4.350 -0.000 0.000 0.246 365 T C 1.316 176.195 174.700 0.300 0.000 0.983 365 T CA 0.240 62.474 62.100 0.225 0.000 1.094 365 T CB -0.333 68.635 68.868 0.168 0.000 1.035 365 T HN 0.319 nan 8.240 nan 0.000 0.456 366 L N 1.794 123.239 121.223 0.371 0.000 2.886 366 L HA -0.044 4.296 4.340 -0.000 0.000 0.248 366 L C 1.652 178.610 176.870 0.148 0.000 1.197 366 L CA 0.644 55.633 54.840 0.249 0.000 0.848 366 L CB -1.290 40.908 42.059 0.232 0.000 1.020 366 L HN 0.316 nan 8.230 nan 0.000 0.464 367 I N 0.532 121.193 120.570 0.151 0.000 2.499 367 I HA -0.019 4.151 4.170 -0.000 0.000 0.243 367 I C -0.229 175.937 176.117 0.082 0.000 1.085 367 I CA 0.624 61.996 61.300 0.120 0.000 1.422 367 I CB -1.136 36.935 38.000 0.117 0.000 1.165 367 I HN 0.185 nan 8.210 nan 0.000 0.440 368 P HA 0.046 nan 4.420 nan 0.000 0.249 368 P C 1.313 178.621 177.300 0.014 0.000 1.229 368 P CA 0.954 64.079 63.100 0.042 0.000 0.788 368 P CB -0.064 31.666 31.700 0.050 0.000 1.072 369 T N 0.049 114.607 114.554 0.007 0.000 2.812 369 T HA 0.018 4.368 4.350 -0.000 0.000 0.264 369 T C 1.773 176.396 174.700 -0.128 0.000 1.042 369 T CA 0.853 62.891 62.100 -0.103 0.000 1.140 369 T CB -0.526 68.150 68.868 -0.320 0.000 0.870 369 T HN 0.046 nan 8.240 nan 0.000 0.445 370 I N 1.440 121.958 120.570 -0.087 0.000 2.179 370 I HA -0.189 3.981 4.170 -0.000 0.000 0.242 370 I C 2.945 179.003 176.117 -0.100 0.000 1.088 370 I CA 1.004 62.247 61.300 -0.095 0.000 1.357 370 I CB -0.668 37.300 38.000 -0.053 0.000 1.051 370 I HN 0.180 nan 8.210 nan 0.000 0.409 371 A N 0.550 123.330 122.820 -0.066 0.000 1.984 371 A HA -0.273 4.047 4.320 -0.000 0.000 0.224 371 A C 2.392 179.921 177.584 -0.092 0.000 1.256 371 A CA 2.773 54.768 52.037 -0.070 0.000 0.679 371 A CB -1.201 17.774 19.000 -0.043 0.000 0.829 371 A HN 0.318 nan 8.150 nan 0.000 0.483 372 V N -0.420 119.438 119.914 -0.094 0.000 2.326 372 V HA -0.059 4.061 4.120 -0.000 0.000 0.238 372 V C -0.297 175.721 176.094 -0.127 0.000 1.038 372 V CA 1.635 63.874 62.300 -0.101 0.000 1.032 372 V CB -1.333 30.439 31.823 -0.085 0.000 0.675 372 V HN 0.301 nan 8.190 nan 0.000 0.467 373 P HA -0.219 nan 4.420 nan 0.000 0.223 373 P C 1.678 178.863 177.300 -0.191 0.000 1.153 373 P CA 1.735 64.733 63.100 -0.171 0.000 0.853 373 P CB 0.009 31.608 31.700 -0.169 0.000 0.777 374 V N -1.947 117.863 119.914 -0.174 0.000 2.672 374 V HA -0.092 4.028 4.120 -0.000 0.000 0.242 374 V C 2.271 178.265 176.094 -0.166 0.000 1.059 374 V CA 0.784 62.973 62.300 -0.185 0.000 1.081 374 V CB -0.392 31.315 31.823 -0.193 0.000 0.752 374 V HN -0.125 nan 8.190 nan 0.000 0.472 375 V N 0.578 120.408 119.914 -0.140 0.000 2.221 375 V HA -0.320 3.800 4.120 -0.000 0.000 0.244 375 V C 2.259 178.274 176.094 -0.132 0.000 1.043 375 V CA 2.434 64.660 62.300 -0.122 0.000 0.996 375 V CB -0.934 30.828 31.823 -0.102 0.000 0.636 375 V HN 0.415 nan 8.190 nan 0.000 0.454 376 L N -0.712 120.433 121.223 -0.130 0.000 2.120 376 L HA -0.344 3.996 4.340 -0.000 0.000 0.248 376 L C 2.500 179.211 176.870 -0.265 0.000 1.102 376 L CA 1.982 56.732 54.840 -0.150 0.000 0.842 376 L CB -1.277 40.678 42.059 -0.173 0.000 0.940 376 L HN 0.325 nan 8.230 nan 0.000 0.440 377 L N -0.357 120.618 121.223 -0.414 0.000 2.251 377 L HA -0.346 3.994 4.340 -0.000 0.000 0.226 377 L C 2.342 179.046 176.870 -0.277 0.000 1.103 377 L CA 2.522 57.087 54.840 -0.458 0.000 0.827 377 L CB -1.627 40.245 42.059 -0.312 0.000 0.907 377 L HN 0.698 nan 8.230 nan 0.000 0.449 378 G N -2.493 106.200 108.800 -0.178 0.000 2.426 378 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.214 378 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.214 378 G C 1.460 176.325 174.900 -0.057 0.000 1.156 378 G CA 0.847 45.882 45.100 -0.108 0.000 0.802 378 G HN 0.378 nan 8.290 nan 0.000 0.534 379 T N 1.869 116.403 114.554 -0.034 0.000 2.555 379 T HA -0.169 4.181 4.350 -0.000 0.000 0.264 379 T C 1.958 176.748 174.700 0.151 0.000 1.083 379 T CA 1.429 63.537 62.100 0.014 0.000 1.179 379 T CB -0.492 68.386 68.868 0.017 0.000 0.863 379 T HN 0.108 nan 8.240 nan 0.000 0.412 380 F N 2.114 122.003 119.950 -0.101 0.000 2.064 380 F HA -0.297 4.230 4.527 -0.000 0.000 0.292 380 F C 2.801 178.562 175.800 -0.064 0.000 1.107 380 F CA 0.996 58.953 58.000 -0.072 0.000 1.243 380 F CB -1.842 37.124 39.000 -0.057 0.000 0.949 380 F HN 0.229 nan 8.300 nan 0.000 0.506 381 A N 0.321 123.240 122.820 0.166 0.000 1.869 381 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 381 A C 2.456 180.051 177.584 0.017 0.000 1.203 381 A CA 2.864 54.940 52.037 0.066 0.000 0.638 381 A CB -1.416 17.599 19.000 0.024 0.000 0.831 381 A HN 0.220 nan 8.150 nan 0.000 0.450 382 V N 0.022 119.905 119.914 -0.052 0.000 2.242 382 V HA -0.406 3.714 4.120 -0.000 0.000 0.257 382 V C 2.584 178.544 176.094 -0.224 0.000 1.073 382 V CA 2.524 64.704 62.300 -0.200 0.000 1.058 382 V CB -1.029 30.589 31.823 -0.341 0.000 0.664 382 V HN 0.609 nan 8.190 nan 0.000 0.451 383 L N -0.224 120.890 121.223 -0.182 0.000 1.978 383 L HA -0.248 4.092 4.340 -0.000 0.000 0.218 383 L C 2.532 179.460 176.870 0.097 0.000 1.075 383 L CA 2.055 56.816 54.840 -0.131 0.000 0.767 383 L CB -0.722 41.290 42.059 -0.079 0.000 0.890 383 L HN 0.429 nan 8.230 nan 0.000 0.434 384 A N -0.940 121.939 122.820 0.099 0.000 2.209 384 A HA 0.068 4.388 4.320 -0.000 0.000 0.212 384 A C 2.293 179.971 177.584 0.157 0.000 1.158 384 A CA 1.204 53.319 52.037 0.130 0.000 0.742 384 A CB -0.475 18.577 19.000 0.086 0.000 0.790 384 A HN 0.452 nan 8.150 nan 0.000 0.472 385 A N -0.270 122.674 122.820 0.206 0.000 1.832 385 A HA 0.117 4.437 4.320 -0.000 0.000 0.214 385 A C 1.406 179.173 177.584 0.305 0.000 1.204 385 A CA 1.054 53.243 52.037 0.253 0.000 0.606 385 A CB -0.876 18.329 19.000 0.341 0.000 0.849 385 A HN 0.409 nan 8.150 nan 0.000 0.445 386 F N 1.288 121.246 119.950 0.014 0.000 2.501 386 F HA 0.040 4.567 4.527 -0.000 0.000 0.291 386 F C 1.845 177.805 175.800 0.267 0.000 1.109 386 F CA 0.496 58.523 58.000 0.045 0.000 1.502 386 F CB -1.571 37.300 39.000 -0.214 0.000 1.120 386 F HN 0.384 nan 8.300 nan 0.000 0.619 387 G N 0.209 109.200 108.800 0.317 0.000 2.369 387 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.286 387 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.286 387 G C -0.000 175.102 174.900 0.337 0.000 0.938 387 G CA -0.049 45.199 45.100 0.247 0.000 1.271 387 G HN 0.234 nan 8.290 nan 0.000 0.488 388 F N -0.116 119.865 119.950 0.051 0.000 2.629 388 F HA 0.840 5.367 4.527 -0.000 0.000 0.386 388 F C 0.859 176.635 175.800 -0.040 0.000 1.135 388 F CA -0.740 57.266 58.000 0.011 0.000 1.116 388 F CB 1.758 40.768 39.000 0.016 0.000 1.426 388 F HN 0.469 nan 8.300 nan 0.000 0.501 389 S N -0.085 115.631 115.700 0.027 0.000 2.599 389 S HA 0.578 5.048 4.470 -0.000 0.000 0.287 389 S C -0.718 173.816 174.600 -0.110 0.000 1.105 389 S CA -0.828 57.343 58.200 -0.049 0.000 0.899 389 S CB 1.060 64.200 63.200 -0.100 0.000 1.100 389 S HN 0.434 nan 8.310 nan 0.000 0.482 390 I N 3.755 124.209 120.570 -0.193 0.000 2.755 390 I HA 0.051 4.221 4.170 -0.000 0.000 0.303 390 I C 0.347 176.324 176.117 -0.233 0.000 1.168 390 I CA 0.090 61.212 61.300 -0.297 0.000 1.588 390 I CB -1.634 36.195 38.000 -0.286 0.000 1.509 390 I HN 0.727 nan 8.210 nan 0.000 0.734 391 N N 1.516 120.083 118.700 -0.222 0.000 2.701 391 N HA 0.334 5.074 4.740 -0.000 0.000 0.290 391 N C 1.042 176.408 175.510 -0.240 0.000 1.338 391 N CA -0.314 52.608 53.050 -0.212 0.000 0.799 391 N CB 0.542 38.932 38.487 -0.162 0.000 1.491 391 N HN 0.266 nan 8.380 nan 0.000 0.540 392 T N -1.057 113.376 114.554 -0.202 0.000 2.565 392 T HA -0.274 4.076 4.350 -0.000 0.000 0.265 392 T C 1.615 176.033 174.700 -0.469 0.000 1.082 392 T CA 1.707 63.594 62.100 -0.354 0.000 1.173 392 T CB -0.994 67.844 68.868 -0.050 0.000 0.864 392 T HN 0.433 nan 8.240 nan 0.000 0.425 393 L N 0.601 121.678 121.223 -0.243 0.000 2.012 393 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 393 L C 3.260 179.851 176.870 -0.464 0.000 1.073 393 L CA 2.018 56.616 54.840 -0.402 0.000 0.748 393 L CB -1.571 40.210 42.059 -0.464 0.000 0.891 393 L HN 0.422 nan 8.230 nan 0.000 0.431 394 T N -0.330 114.058 114.554 -0.276 0.000 2.597 394 T HA -0.240 4.110 4.350 -0.000 0.000 0.267 394 T C 1.978 176.629 174.700 -0.081 0.000 1.053 394 T CA 1.784 63.797 62.100 -0.145 0.000 1.165 394 T CB -0.039 68.733 68.868 -0.161 0.000 0.863 394 T HN 0.068 nan 8.240 nan 0.000 0.427 395 M N 0.582 120.081 119.600 -0.168 0.000 2.115 395 M HA -0.006 4.474 4.480 -0.000 0.000 0.258 395 M C 2.158 178.546 176.300 0.146 0.000 1.071 395 M CA 1.429 56.672 55.300 -0.095 0.000 1.100 395 M CB -1.821 30.642 32.600 -0.228 0.000 1.292 395 M HN 0.389 nan 8.290 nan 0.000 0.415 396 F N -0.248 119.764 119.950 0.103 0.000 2.323 396 F HA -0.207 4.320 4.527 -0.000 0.000 0.301 396 F C 2.238 178.195 175.800 0.262 0.000 1.060 396 F CA 0.359 58.449 58.000 0.150 0.000 1.398 396 F CB -0.811 38.272 39.000 0.138 0.000 1.075 396 F HN 0.348 nan 8.300 nan 0.000 0.540 397 G N -0.408 108.709 108.800 0.528 0.000 2.511 397 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.217 397 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.217 397 G C 1.535 176.558 174.900 0.205 0.000 1.133 397 G CA 0.194 45.567 45.100 0.456 0.000 0.792 397 G HN 0.231 nan 8.290 nan 0.000 0.539 398 M N -0.304 119.411 119.600 0.191 0.000 2.398 398 M HA 0.103 4.583 4.480 -0.000 0.000 0.261 398 M C 2.543 178.925 176.300 0.137 0.000 1.125 398 M CA 0.292 55.676 55.300 0.140 0.000 1.183 398 M CB -0.591 32.113 32.600 0.172 0.000 1.322 398 M HN 0.023 nan 8.290 nan 0.000 0.467 399 V N 2.000 122.028 119.914 0.189 0.000 2.238 399 V HA -0.376 3.744 4.120 -0.000 0.000 0.253 399 V C 2.583 178.819 176.094 0.236 0.000 1.050 399 V CA 2.214 64.636 62.300 0.203 0.000 1.045 399 V CB -0.850 31.098 31.823 0.208 0.000 0.670 399 V HN 0.434 nan 8.190 nan 0.000 0.469 400 L N -0.581 120.773 121.223 0.219 0.000 2.064 400 L HA -0.315 4.025 4.340 -0.000 0.000 0.216 400 L C 2.648 179.545 176.870 0.044 0.000 1.077 400 L CA 2.744 57.727 54.840 0.239 0.000 0.766 400 L CB -1.755 40.364 42.059 0.100 0.000 0.890 400 L HN 0.576 nan 8.230 nan 0.000 0.435 401 A N -0.178 122.625 122.820 -0.028 0.000 1.930 401 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 401 A C 2.296 179.762 177.584 -0.197 0.000 1.175 401 A CA 1.144 53.101 52.037 -0.134 0.000 0.627 401 A CB -0.505 18.434 19.000 -0.102 0.000 0.815 401 A HN 0.328 nan 8.150 nan 0.000 0.443 402 I N -0.275 120.217 120.570 -0.130 0.000 2.141 402 I HA -0.404 3.766 4.170 -0.000 0.000 0.243 402 I C 2.574 178.424 176.117 -0.444 0.000 1.035 402 I CA 1.447 62.652 61.300 -0.160 0.000 1.302 402 I CB -0.794 37.222 38.000 0.025 0.000 1.006 402 I HN 0.461 nan 8.210 nan 0.000 0.413 403 G N 1.012 109.132 108.800 -1.133 0.000 2.838 403 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.215 403 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.215 403 G C 1.306 175.826 174.900 -0.633 0.000 1.327 403 G CA 0.793 44.907 45.100 -1.645 0.000 0.802 403 G HN 0.392 nan 8.290 nan 0.000 0.658 404 L N 0.189 121.158 121.223 -0.424 0.000 2.696 404 L HA -0.113 4.227 4.340 -0.000 0.000 0.235 404 L C 2.014 178.790 176.870 -0.156 0.000 1.180 404 L CA 0.683 55.403 54.840 -0.199 0.000 0.817 404 L CB -0.483 41.497 42.059 -0.133 0.000 0.947 404 L HN 0.330 nan 8.230 nan 0.000 0.455 405 L N -3.330 117.782 121.223 -0.185 0.000 3.066 405 L HA 0.026 4.365 4.340 -0.000 0.000 0.272 405 L C 1.983 178.789 176.870 -0.106 0.000 1.101 405 L CA -0.107 54.658 54.840 -0.126 0.000 1.022 405 L CB 0.342 42.328 42.059 -0.121 0.000 1.600 405 L HN -0.095 nan 8.230 nan 0.000 0.559 406 V N 0.093 119.930 119.914 -0.128 0.000 2.221 406 V HA -0.291 3.829 4.120 -0.000 0.000 0.242 406 V C 2.025 178.075 176.094 -0.073 0.000 1.041 406 V CA 2.342 64.592 62.300 -0.083 0.000 0.995 406 V CB -0.731 31.051 31.823 -0.068 0.000 0.635 406 V HN 0.499 nan 8.190 nan 0.000 0.448 407 D N 0.154 120.496 120.400 -0.098 0.000 2.286 407 D HA -0.331 4.309 4.640 -0.000 0.000 0.195 407 D C 1.865 178.139 176.300 -0.043 0.000 1.012 407 D CA 1.937 55.895 54.000 -0.070 0.000 0.901 407 D CB -0.262 40.490 40.800 -0.079 0.000 0.903 407 D HN 0.584 nan 8.370 nan 0.000 0.451 408 D N -1.401 118.974 120.400 -0.042 0.000 2.249 408 D HA -0.003 4.637 4.640 -0.000 0.000 0.205 408 D C 1.892 178.189 176.300 -0.005 0.000 0.962 408 D CA 0.803 54.791 54.000 -0.019 0.000 0.860 408 D CB 0.140 40.925 40.800 -0.025 0.000 0.955 408 D HN 0.367 nan 8.370 nan 0.000 0.505 409 A N 1.302 124.115 122.820 -0.011 0.000 1.832 409 A HA -0.014 4.306 4.320 -0.000 0.000 0.214 409 A C 1.950 179.545 177.584 0.019 0.000 1.204 409 A CA 0.344 52.385 52.037 0.007 0.000 0.606 409 A CB -0.707 18.295 19.000 0.004 0.000 0.849 409 A HN 0.180 nan 8.150 nan 0.000 0.445 410 I N -1.142 119.433 120.570 0.008 0.000 4.758 410 I HA -0.394 3.776 4.170 -0.000 0.000 0.046 410 I C 2.132 178.256 176.117 0.012 0.000 0.672 410 I CA 1.630 62.931 61.300 0.001 0.000 1.020 410 I CB -0.790 37.191 38.000 -0.031 0.000 0.912 410 I HN 0.260 nan 8.210 nan 0.000 0.408 411 V N -0.425 119.488 119.914 -0.001 0.000 1.903 411 V HA -0.436 3.684 4.120 -0.000 0.000 0.145 411 V C 1.758 177.887 176.094 0.060 0.000 1.385 411 V CA 2.767 65.078 62.300 0.019 0.000 2.161 411 V CB -0.935 30.898 31.823 0.016 0.000 1.053 411 V HN 0.499 nan 8.190 nan 0.000 0.536 412 V N -2.094 117.852 119.914 0.054 0.000 3.307 412 V HA 0.011 4.131 4.120 -0.000 0.000 0.253 412 V C 1.756 177.888 176.094 0.063 0.000 1.149 412 V CA 1.371 63.709 62.300 0.065 0.000 1.112 412 V CB 1.124 32.979 31.823 0.054 0.000 0.777 412 V HN 0.411 nan 8.190 nan 0.000 0.464 413 V N -0.171 119.777 119.914 0.057 0.000 2.300 413 V HA -0.064 4.056 4.120 -0.000 0.000 0.241 413 V C 2.058 178.191 176.094 0.065 0.000 1.034 413 V CA 1.457 63.794 62.300 0.063 0.000 1.021 413 V CB -0.170 31.693 31.823 0.067 0.000 0.662 413 V HN 0.521 nan 8.190 nan 0.000 0.458 414 E N 0.544 120.781 120.200 0.061 0.000 2.526 414 E HA -0.172 4.178 4.350 -0.000 0.000 0.206 414 E C 1.177 177.822 176.600 0.074 0.000 1.139 414 E CA 0.500 56.939 56.400 0.064 0.000 0.913 414 E CB -0.200 29.529 29.700 0.047 0.000 0.868 414 E HN 0.587 nan 8.360 nan 0.000 0.564 415 N N -0.487 118.263 118.700 0.084 0.000 2.129 415 N HA -0.043 4.697 4.740 -0.000 0.000 0.222 415 N C 1.025 176.586 175.510 0.085 0.000 1.303 415 N CA 0.207 53.321 53.050 0.108 0.000 0.897 415 N CB 0.655 39.241 38.487 0.165 0.000 1.093 415 N HN -0.038 nan 8.380 nan 0.000 0.501 416 V N 1.287 121.244 119.914 0.071 0.000 3.573 416 V HA 0.058 4.178 4.120 -0.000 0.000 0.270 416 V C 1.816 177.939 176.094 0.050 0.000 1.221 416 V CA 0.903 63.237 62.300 0.056 0.000 1.163 416 V CB 0.148 32.004 31.823 0.055 0.000 0.847 416 V HN 0.148 nan 8.190 nan 0.000 0.468 417 E N 0.444 120.678 120.200 0.056 0.000 2.021 417 E HA 0.017 4.367 4.350 -0.000 0.000 0.191 417 E C 2.316 178.943 176.600 0.044 0.000 0.971 417 E CA 0.410 56.838 56.400 0.047 0.000 0.825 417 E CB -0.429 29.301 29.700 0.051 0.000 0.788 417 E HN 0.201 nan 8.360 nan 0.000 0.460 418 R N 0.467 121.001 120.500 0.057 0.000 2.265 418 R HA -0.153 4.187 4.340 -0.000 0.000 0.268 418 R C 1.724 178.051 176.300 0.044 0.000 1.178 418 R CA 1.013 57.147 56.100 0.057 0.000 1.005 418 R CB -0.919 29.431 30.300 0.084 0.000 0.891 418 R HN 0.087 nan 8.270 nan 0.000 0.472 419 V N 0.831 120.770 119.914 0.042 0.000 3.249 419 V HA 0.003 4.123 4.120 -0.000 0.000 0.338 419 V C 1.352 177.458 176.094 0.020 0.000 1.363 419 V CA 0.321 62.638 62.300 0.028 0.000 1.205 419 V CB 0.171 32.010 31.823 0.027 0.000 1.164 419 V HN 0.189 nan 8.190 nan 0.000 0.458 420 M N 0.727 120.339 119.600 0.019 0.000 2.461 420 M HA 0.431 4.911 4.480 -0.000 0.000 0.255 420 M C 1.485 177.788 176.300 0.006 0.000 1.137 420 M CA 1.014 56.321 55.300 0.010 0.000 1.086 420 M CB 0.259 32.864 32.600 0.009 0.000 1.356 420 M HN 0.114 nan 8.290 nan 0.000 0.487 421 A N 0.515 123.341 122.820 0.010 0.000 2.648 421 A HA 0.291 4.611 4.320 -0.000 0.000 0.269 421 A C 1.222 178.809 177.584 0.006 0.000 1.392 421 A CA 0.535 52.577 52.037 0.007 0.000 1.019 421 A CB -0.669 18.338 19.000 0.012 0.000 1.009 421 A HN 0.652 nan 8.150 nan 0.000 0.565 422 E N -1.360 118.841 120.200 0.003 0.000 1.833 422 E HA -0.073 4.277 4.350 -0.000 0.000 0.220 422 E C 0.194 176.793 176.600 -0.002 0.000 1.055 422 E CA 0.098 56.498 56.400 -0.001 0.000 1.368 422 E CB -0.480 29.220 29.700 -0.001 0.000 4.088 422 E HN 0.260 nan 8.360 nan 0.000 0.925 423 E N 1.547 121.747 120.200 -0.000 0.000 2.520 423 E HA 0.036 4.386 4.350 -0.000 0.000 0.201 423 E C 1.252 177.850 176.600 -0.003 0.000 1.122 423 E CA 0.954 57.353 56.400 -0.001 0.000 0.896 423 E CB -0.495 29.206 29.700 0.002 0.000 0.891 423 E HN 0.559 nan 8.360 nan 0.000 0.533 424 G N 0.823 109.620 108.800 -0.004 0.000 4.293 424 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.222 424 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.222 424 G C 0.997 175.894 174.900 -0.006 0.000 1.452 424 G CA 1.014 46.110 45.100 -0.006 0.000 1.312 424 G HN 0.431 nan 8.290 nan 0.000 0.709 425 L N 0.453 121.673 121.223 -0.005 0.000 4.183 425 L HA 0.245 4.585 4.340 -0.000 0.000 0.406 425 L C -2.372 174.497 176.870 -0.002 0.000 1.119 425 L CA -0.422 54.415 54.840 -0.005 0.000 1.467 425 L CB 1.077 43.132 42.059 -0.007 0.000 1.684 425 L HN 0.215 nan 8.230 nan 0.000 0.633 426 P HA 0.260 nan 4.420 nan 0.000 0.278 426 P C -2.251 175.053 177.300 0.007 0.000 1.238 426 P CA -1.309 61.792 63.100 0.003 0.000 0.794 426 P CB 0.725 32.426 31.700 0.002 0.000 0.955 427 P HA 0.027 nan 4.420 nan 0.000 0.206 427 P C 1.371 178.683 177.300 0.021 0.000 1.198 427 P CA 1.034 64.144 63.100 0.016 0.000 0.902 427 P CB 0.240 31.950 31.700 0.016 0.000 0.740 428 K N -0.256 120.157 120.400 0.021 0.000 2.163 428 K HA -0.214 4.106 4.320 -0.000 0.000 0.210 428 K C 1.949 178.561 176.600 0.020 0.000 1.048 428 K CA 1.754 58.056 56.287 0.024 0.000 0.928 428 K CB -0.096 32.416 32.500 0.020 0.000 0.716 428 K HN 0.180 nan 8.250 nan 0.000 0.459 429 E N -0.176 120.032 120.200 0.014 0.000 2.028 429 E HA -0.152 4.198 4.350 -0.000 0.000 0.190 429 E C 2.058 178.664 176.600 0.011 0.000 0.984 429 E CA 1.146 57.552 56.400 0.009 0.000 0.800 429 E CB -0.427 29.275 29.700 0.004 0.000 0.758 429 E HN 0.351 nan 8.360 nan 0.000 0.448 430 A N 1.635 124.462 122.820 0.013 0.000 1.940 430 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 430 A C 2.449 180.046 177.584 0.023 0.000 1.176 430 A CA 2.256 54.302 52.037 0.016 0.000 0.631 430 A CB -1.048 17.963 19.000 0.019 0.000 0.814 430 A HN 0.304 nan 8.150 nan 0.000 0.446 431 T N -0.600 113.972 114.554 0.029 0.000 2.588 431 T HA -0.178 4.172 4.350 -0.000 0.000 0.261 431 T C 2.050 176.770 174.700 0.033 0.000 1.069 431 T CA 1.367 63.490 62.100 0.038 0.000 1.172 431 T CB -0.332 68.565 68.868 0.049 0.000 0.863 431 T HN 0.530 nan 8.240 nan 0.000 0.408 432 R N 1.277 121.795 120.500 0.029 0.000 2.113 432 R HA -0.227 4.113 4.340 -0.000 0.000 0.244 432 R C 2.468 178.773 176.300 0.008 0.000 1.142 432 R CA 2.124 58.236 56.100 0.021 0.000 0.953 432 R CB -0.248 30.062 30.300 0.017 0.000 0.860 432 R HN 0.385 nan 8.270 nan 0.000 0.438 433 K N 0.282 120.684 120.400 0.004 0.000 1.987 433 K HA -0.175 4.145 4.320 -0.000 0.000 0.216 433 K C 2.034 178.627 176.600 -0.011 0.000 1.051 433 K CA 2.500 58.783 56.287 -0.007 0.000 0.942 433 K CB -0.302 32.194 32.500 -0.006 0.000 0.722 433 K HN 0.291 nan 8.250 nan 0.000 0.444 434 S N -0.287 115.416 115.700 0.005 0.000 2.419 434 S HA -0.143 4.327 4.470 -0.000 0.000 0.233 434 S C 1.931 176.540 174.600 0.015 0.000 1.016 434 S CA 1.017 59.225 58.200 0.012 0.000 0.974 434 S CB -0.248 62.976 63.200 0.040 0.000 0.786 434 S HN 0.194 nan 8.310 nan 0.000 0.492 435 M N 2.303 121.914 119.600 0.018 0.000 2.074 435 M HA 0.176 4.656 4.480 -0.000 0.000 0.259 435 M C 2.643 178.944 176.300 0.002 0.000 1.079 435 M CA 1.488 56.800 55.300 0.020 0.000 1.119 435 M CB -2.362 30.254 32.600 0.026 0.000 1.297 435 M HN 0.438 nan 8.290 nan 0.000 0.416 436 G N 0.673 109.468 108.800 -0.008 0.000 2.803 436 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.227 436 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.227 436 G C 1.269 176.147 174.900 -0.036 0.000 1.129 436 G CA 1.305 46.392 45.100 -0.022 0.000 0.755 436 G HN 0.578 nan 8.290 nan 0.000 0.634 437 Q N -0.122 119.648 119.800 -0.050 0.000 2.403 437 Q HA 0.302 4.642 4.340 -0.000 0.000 0.203 437 Q C 1.863 177.807 176.000 -0.094 0.000 0.932 437 Q CA 0.296 56.037 55.803 -0.103 0.000 0.945 437 Q CB 0.320 28.958 28.738 -0.166 0.000 1.045 437 Q HN 0.705 nan 8.270 nan 0.000 0.511 438 I N -0.876 119.684 120.570 -0.015 0.000 4.701 438 I HA -0.068 4.102 4.170 -0.000 0.000 0.247 438 I C 1.963 178.102 176.117 0.037 0.000 0.922 438 I CA -0.114 61.211 61.300 0.042 0.000 2.200 438 I CB -0.744 37.304 38.000 0.081 0.000 1.517 438 I HN -0.037 nan 8.210 nan 0.000 0.478 439 Q N 2.344 122.165 119.800 0.036 0.000 2.701 439 Q HA -0.354 3.986 4.340 -0.000 0.000 0.252 439 Q C 1.610 177.624 176.000 0.023 0.000 1.114 439 Q CA 2.615 58.434 55.803 0.027 0.000 1.030 439 Q CB -2.204 26.544 28.738 0.017 0.000 0.912 439 Q HN 0.658 nan 8.270 nan 0.000 0.614 440 G N -0.011 108.797 108.800 0.013 0.000 2.894 440 G HA2 0.194 4.154 3.960 -0.000 0.000 0.203 440 G HA3 0.194 4.154 3.960 -0.000 0.000 0.203 440 G C 0.969 175.881 174.900 0.020 0.000 1.173 440 G CA 0.889 45.994 45.100 0.009 0.000 0.854 440 G HN 0.770 nan 8.290 nan 0.000 0.510 441 A N -0.354 122.490 122.820 0.039 0.000 1.969 441 A HA 0.381 4.701 4.320 -0.000 0.000 0.205 441 A C 2.195 179.810 177.584 0.053 0.000 1.364 441 A CA 0.075 52.151 52.037 0.065 0.000 0.756 441 A CB -0.128 18.945 19.000 0.122 0.000 0.988 441 A HN 0.242 nan 8.150 nan 0.000 0.490 442 L N 0.178 121.432 121.223 0.052 0.000 1.990 442 L HA -0.212 4.128 4.340 -0.000 0.000 0.213 442 L C 2.570 179.452 176.870 0.021 0.000 1.072 442 L CA 1.736 56.599 54.840 0.038 0.000 0.755 442 L CB -0.804 41.276 42.059 0.034 0.000 0.889 442 L HN 0.248 nan 8.230 nan 0.000 0.432 443 V N 0.453 120.376 119.914 0.014 0.000 2.250 443 V HA -0.307 3.813 4.120 -0.000 0.000 0.250 443 V C 2.643 178.734 176.094 -0.005 0.000 1.060 443 V CA 2.256 64.559 62.300 0.005 0.000 1.030 443 V CB -1.400 30.424 31.823 0.003 0.000 0.643 443 V HN 0.638 nan 8.190 nan 0.000 0.445 444 G N -0.048 108.743 108.800 -0.015 0.000 2.475 444 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.220 444 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.220 444 G C 1.384 176.258 174.900 -0.043 0.000 1.125 444 G CA 1.126 46.202 45.100 -0.042 0.000 0.755 444 G HN 0.401 nan 8.290 nan 0.000 0.565 445 I N 1.945 122.504 120.570 -0.019 0.000 2.072 445 I HA -0.103 4.067 4.170 -0.000 0.000 0.235 445 I C 3.316 179.433 176.117 0.001 0.000 1.058 445 I CA 1.114 62.408 61.300 -0.010 0.000 1.320 445 I CB -1.712 36.297 38.000 0.015 0.000 1.047 445 I HN 0.258 nan 8.210 nan 0.000 0.397 446 A N 1.041 123.871 122.820 0.017 0.000 1.909 446 A HA -0.265 4.055 4.320 -0.000 0.000 0.221 446 A C 2.153 179.755 177.584 0.029 0.000 1.223 446 A CA 2.111 54.168 52.037 0.033 0.000 0.658 446 A CB -0.838 18.175 19.000 0.022 0.000 0.831 446 A HN 0.434 nan 8.150 nan 0.000 0.462 447 M N -0.237 119.367 119.600 0.007 0.000 2.800 447 M HA -0.036 4.444 4.480 -0.000 0.000 0.235 447 M C 0.717 177.003 176.300 -0.023 0.000 1.057 447 M CA 0.924 56.221 55.300 -0.005 0.000 1.066 447 M CB -0.662 31.928 32.600 -0.016 0.000 1.558 447 M HN 0.422 nan 8.290 nan 0.000 0.551 448 V N -3.989 115.908 119.914 -0.027 0.000 3.283 448 V HA 0.014 4.134 4.120 -0.000 0.000 0.265 448 V C 1.827 177.873 176.094 -0.079 0.000 1.672 448 V CA -0.080 62.186 62.300 -0.057 0.000 1.020 448 V CB -0.134 31.642 31.823 -0.078 0.000 0.854 448 V HN 0.215 nan 8.190 nan 0.000 0.408 449 L N 0.594 121.796 121.223 -0.035 0.000 1.976 449 L HA -0.124 4.215 4.340 -0.000 0.000 0.209 449 L C 2.658 179.521 176.870 -0.012 0.000 1.071 449 L CA 2.035 56.854 54.840 -0.036 0.000 0.746 449 L CB -0.869 41.285 42.059 0.159 0.000 0.890 449 L HN 0.409 nan 8.230 nan 0.000 0.432 450 S N 0.470 116.268 115.700 0.164 0.000 2.343 450 S HA -0.435 4.035 4.470 -0.000 0.000 0.324 450 S C 2.002 176.628 174.600 0.044 0.000 1.144 450 S CA 2.231 60.520 58.200 0.149 0.000 1.548 450 S CB -0.998 62.242 63.200 0.066 0.000 1.368 450 S HN 0.591 nan 8.310 nan 0.000 0.477 451 A N 0.680 123.477 122.820 -0.038 0.000 2.042 451 A HA -0.117 4.203 4.320 -0.000 0.000 0.222 451 A C 2.275 179.766 177.584 -0.155 0.000 1.167 451 A CA 2.097 54.083 52.037 -0.086 0.000 0.649 451 A CB -1.007 17.945 19.000 -0.080 0.000 0.809 451 A HN 0.492 nan 8.150 nan 0.000 0.457 452 V N -2.109 117.625 119.914 -0.300 0.000 2.379 452 V HA -0.176 3.944 4.120 -0.000 0.000 0.245 452 V C 2.182 177.988 176.094 -0.480 0.000 1.044 452 V CA 1.803 63.796 62.300 -0.512 0.000 1.036 452 V CB -1.200 30.121 31.823 -0.837 0.000 0.664 452 V HN 0.535 nan 8.190 nan 0.000 0.453 453 F N 0.081 120.036 119.950 0.007 0.000 2.092 453 F HA 0.019 4.546 4.527 -0.000 0.000 0.286 453 F C 2.466 178.307 175.800 0.069 0.000 1.116 453 F CA 1.211 59.244 58.000 0.055 0.000 1.185 453 F CB -0.914 38.125 39.000 0.066 0.000 1.034 453 F HN -0.203 nan 8.300 nan 0.000 0.479 454 V N 1.590 121.638 119.914 0.223 0.000 2.660 454 V HA -0.181 3.939 4.120 -0.000 0.000 0.257 454 V C -1.059 175.026 176.094 -0.014 0.000 1.088 454 V CA 1.627 64.009 62.300 0.137 0.000 1.106 454 V CB -1.420 30.465 31.823 0.102 0.000 0.686 454 V HN 0.167 nan 8.190 nan 0.000 0.481 455 P HA -0.049 nan 4.420 nan 0.000 0.253 455 P C 1.048 178.270 177.300 -0.130 0.000 1.281 455 P CA 0.787 63.791 63.100 -0.160 0.000 0.792 455 P CB 0.031 31.702 31.700 -0.049 0.000 1.193 456 M N -3.039 116.489 119.600 -0.119 0.000 2.838 456 M HA 0.441 4.921 4.480 -0.000 0.000 0.251 456 M C 1.775 177.630 176.300 -0.742 0.000 1.393 456 M CA 0.559 55.507 55.300 -0.587 0.000 1.196 456 M CB -0.702 31.811 32.600 -0.145 0.000 1.276 456 M HN -0.234 nan 8.290 nan 0.000 0.541 457 A N 0.071 122.862 122.820 -0.050 0.000 2.119 457 A HA 0.013 4.333 4.320 -0.000 0.000 0.199 457 A C 0.658 178.314 177.584 0.120 0.000 1.406 457 A CA 0.973 53.090 52.037 0.134 0.000 1.102 457 A CB -1.497 17.688 19.000 0.308 0.000 0.723 457 A HN 0.680 nan 8.150 nan 0.000 0.549 458 F N -2.429 117.290 119.950 -0.385 0.000 2.915 458 F HA 0.207 4.734 4.527 -0.000 0.000 0.347 458 F C 0.492 176.244 175.800 -0.080 0.000 1.104 458 F CA -0.777 57.116 58.000 -0.179 0.000 1.126 458 F CB 0.517 39.437 39.000 -0.133 0.000 1.145 458 F HN 0.332 nan 8.300 nan 0.000 0.541 459 F N -0.285 119.757 119.950 0.153 0.000 2.798 459 F HA 0.604 5.131 4.527 -0.000 0.000 0.291 459 F C 1.076 176.925 175.800 0.082 0.000 1.174 459 F CA -2.094 55.954 58.000 0.079 0.000 1.392 459 F CB -1.677 37.328 39.000 0.010 0.000 0.966 459 F HN -0.050 nan 8.300 nan 0.000 0.509 460 G N 0.724 109.729 108.800 0.342 0.000 2.869 460 G HA2 0.297 4.257 3.960 -0.000 0.000 0.261 460 G HA3 0.297 4.257 3.960 -0.000 0.000 0.261 460 G C 0.388 175.395 174.900 0.179 0.000 0.468 460 G CA 0.503 45.736 45.100 0.221 0.000 1.141 460 G HN 1.328 nan 8.290 nan 0.000 0.235 461 G N 0.313 109.208 108.800 0.157 0.000 2.345 461 G HA2 0.493 4.453 3.960 -0.000 0.000 0.285 461 G HA3 0.493 4.453 3.960 -0.000 0.000 0.285 461 G C 0.772 175.739 174.900 0.111 0.000 1.297 461 G CA 0.579 45.745 45.100 0.110 0.000 0.875 461 G HN 1.551 nan 8.290 nan 0.000 0.506 462 S N -1.004 114.731 115.700 0.059 0.000 2.344 462 S HA -0.104 4.366 4.470 -0.000 0.000 0.217 462 S C 2.380 177.076 174.600 0.160 0.000 1.033 462 S CA 3.001 61.235 58.200 0.057 0.000 1.017 462 S CB -0.944 62.219 63.200 -0.063 0.000 0.941 462 S HN 1.115 nan 8.310 nan 0.000 0.430 463 T N 1.108 115.741 114.554 0.132 0.000 2.176 463 T HA -0.251 4.099 4.350 -0.000 0.000 0.197 463 T C 1.719 176.728 174.700 0.514 0.000 1.683 463 T CA 2.495 64.819 62.100 0.372 0.000 1.094 463 T CB -1.558 67.383 68.868 0.122 0.000 0.846 463 T HN 0.689 nan 8.240 nan 0.000 0.404 464 G N 0.845 109.969 108.800 0.540 0.000 2.556 464 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.220 464 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.220 464 G C 1.724 176.958 174.900 0.556 0.000 1.156 464 G CA 1.494 47.093 45.100 0.832 0.000 0.766 464 G HN 0.806 nan 8.290 nan 0.000 0.583 465 A N 0.179 123.196 122.820 0.328 0.000 2.172 465 A HA 0.130 4.450 4.320 -0.000 0.000 0.216 465 A C 2.193 179.874 177.584 0.162 0.000 1.154 465 A CA 1.198 53.355 52.037 0.200 0.000 0.701 465 A CB -0.197 18.866 19.000 0.106 0.000 0.789 465 A HN 0.323 nan 8.150 nan 0.000 0.465 466 I N -1.778 118.916 120.570 0.206 0.000 2.286 466 I HA -0.147 4.023 4.170 -0.000 0.000 0.245 466 I C 2.128 178.259 176.117 0.024 0.000 1.104 466 I CA 1.034 62.362 61.300 0.046 0.000 1.397 466 I CB -1.848 36.118 38.000 -0.056 0.000 1.072 466 I HN 0.427 nan 8.210 nan 0.000 0.417 467 Y N 1.064 121.587 120.300 0.371 0.000 2.206 467 Y HA -0.063 4.487 4.550 -0.000 0.000 0.292 467 Y C 2.791 178.914 175.900 0.372 0.000 1.123 467 Y CA 1.188 59.602 58.100 0.524 0.000 1.142 467 Y CB -0.445 38.434 38.460 0.698 0.000 1.006 467 Y HN 0.041 nan 8.280 nan 0.000 0.518 468 R N 0.744 121.520 120.500 0.460 0.000 2.244 468 R HA -0.260 4.080 4.340 -0.000 0.000 0.252 468 R C 1.688 178.212 176.300 0.372 0.000 1.177 468 R CA 1.748 58.060 56.100 0.352 0.000 1.004 468 R CB -0.115 30.359 30.300 0.291 0.000 0.873 468 R HN 0.395 nan 8.270 nan 0.000 0.469 469 Q N -0.187 119.767 119.800 0.255 0.000 2.046 469 Q HA -0.137 4.203 4.340 -0.000 0.000 0.200 469 Q C 1.992 178.027 176.000 0.059 0.000 0.975 469 Q CA 1.555 57.458 55.803 0.168 0.000 0.836 469 Q CB -0.443 28.200 28.738 -0.158 0.000 0.896 469 Q HN 0.388 nan 8.270 nan 0.000 0.428 470 F N 1.567 121.672 119.950 0.259 0.000 1.983 470 F HA -0.293 4.234 4.527 -0.000 0.000 0.295 470 F C 2.843 178.729 175.800 0.144 0.000 1.197 470 F CA 1.212 59.336 58.000 0.206 0.000 1.165 470 F CB -1.003 38.169 39.000 0.287 0.000 0.970 470 F HN 0.121 nan 8.300 nan 0.000 0.488 471 S N 0.994 116.958 115.700 0.439 0.000 2.180 471 S HA -0.389 4.081 4.470 -0.000 0.000 0.422 471 S C 1.847 176.535 174.600 0.147 0.000 1.021 471 S CA 2.399 60.771 58.200 0.288 0.000 2.417 471 S CB -1.092 62.297 63.200 0.315 0.000 1.807 471 S HN 0.216 nan 8.310 nan 0.000 0.507 472 I N 2.252 122.894 120.570 0.121 0.000 2.093 472 I HA -0.235 3.935 4.170 -0.000 0.000 0.239 472 I C 2.778 178.808 176.117 -0.144 0.000 1.026 472 I CA 2.455 63.717 61.300 -0.064 0.000 1.295 472 I CB -1.882 35.951 38.000 -0.278 0.000 1.007 472 I HN 0.614 nan 8.210 nan 0.000 0.401 473 T N 1.701 116.195 114.554 -0.101 0.000 2.486 473 T HA -0.223 4.127 4.350 -0.000 0.000 0.257 473 T C 1.912 176.553 174.700 -0.099 0.000 1.175 473 T CA 2.139 64.178 62.100 -0.102 0.000 1.207 473 T CB -0.486 68.370 68.868 -0.019 0.000 0.864 473 T HN 0.142 nan 8.240 nan 0.000 0.405 474 I N 0.965 121.488 120.570 -0.079 0.000 3.107 474 I HA -0.281 3.889 4.170 -0.000 0.000 0.193 474 I C 2.571 178.554 176.117 -0.223 0.000 0.855 474 I CA 1.609 62.772 61.300 -0.227 0.000 1.147 474 I CB -1.888 35.843 38.000 -0.449 0.000 0.875 474 I HN 0.112 nan 8.210 nan 0.000 0.338 475 V N 1.487 121.294 119.914 -0.178 0.000 2.311 475 V HA -0.344 3.776 4.120 -0.000 0.000 0.256 475 V C 2.749 178.789 176.094 -0.090 0.000 1.077 475 V CA 2.737 65.003 62.300 -0.056 0.000 1.067 475 V CB -0.989 30.860 31.823 0.042 0.000 0.659 475 V HN 0.743 nan 8.190 nan 0.000 0.451 476 S N -0.211 115.396 115.700 -0.155 0.000 2.428 476 S HA 0.031 4.501 4.470 -0.000 0.000 0.230 476 S C 1.922 176.427 174.600 -0.159 0.000 1.014 476 S CA 1.018 59.090 58.200 -0.213 0.000 0.957 476 S CB -0.135 62.822 63.200 -0.405 0.000 0.784 476 S HN 0.619 nan 8.310 nan 0.000 0.499 477 A N 1.613 124.353 122.820 -0.133 0.000 1.935 477 A HA 0.312 4.632 4.320 -0.000 0.000 0.214 477 A C 2.148 179.675 177.584 -0.096 0.000 1.178 477 A CA 0.920 52.893 52.037 -0.106 0.000 0.640 477 A CB -0.674 18.271 19.000 -0.091 0.000 0.825 477 A HN 0.492 nan 8.150 nan 0.000 0.447 478 M N 0.261 119.803 119.600 -0.097 0.000 2.255 478 M HA -0.261 4.219 4.480 -0.000 0.000 0.260 478 M C 2.267 178.541 176.300 -0.044 0.000 1.069 478 M CA 2.380 57.644 55.300 -0.060 0.000 1.089 478 M CB -0.329 32.255 32.600 -0.026 0.000 1.269 478 M HN 0.401 nan 8.290 nan 0.000 0.434 479 A N 0.124 122.919 122.820 -0.040 0.000 2.042 479 A HA -0.186 4.134 4.320 -0.000 0.000 0.222 479 A C 2.072 179.627 177.584 -0.049 0.000 1.167 479 A CA 1.628 53.644 52.037 -0.035 0.000 0.649 479 A CB -1.095 17.886 19.000 -0.032 0.000 0.809 479 A HN 0.634 nan 8.150 nan 0.000 0.457 480 L N -1.304 119.878 121.223 -0.068 0.000 1.988 480 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 480 L C 2.786 179.615 176.870 -0.068 0.000 1.071 480 L CA 1.819 56.614 54.840 -0.075 0.000 0.744 480 L CB -1.213 40.792 42.059 -0.090 0.000 0.893 480 L HN 0.508 nan 8.230 nan 0.000 0.433 481 S N -0.076 115.584 115.700 -0.067 0.000 2.427 481 S HA -0.260 4.210 4.470 -0.000 0.000 0.261 481 S C 1.679 176.254 174.600 -0.041 0.000 1.091 481 S CA 2.038 60.205 58.200 -0.056 0.000 1.251 481 S CB -0.376 62.792 63.200 -0.053 0.000 1.160 481 S HN 0.242 nan 8.310 nan 0.000 0.436 482 V N 1.492 121.387 119.914 -0.031 0.000 3.546 482 V HA -0.013 4.107 4.120 -0.000 0.000 0.272 482 V C 1.471 177.552 176.094 -0.023 0.000 1.228 482 V CA 1.263 63.552 62.300 -0.018 0.000 1.184 482 V CB -0.279 31.539 31.823 -0.009 0.000 0.886 482 V HN 0.434 nan 8.190 nan 0.000 0.508 483 L N -1.452 119.748 121.223 -0.039 0.000 2.586 483 L HA 0.175 4.515 4.340 -0.000 0.000 0.204 483 L C 2.172 179.002 176.870 -0.067 0.000 1.053 483 L CA 1.294 56.106 54.840 -0.048 0.000 0.856 483 L CB 0.139 42.165 42.059 -0.055 0.000 1.192 483 L HN 0.061 nan 8.230 nan 0.000 0.484 484 V N 1.200 121.070 119.914 -0.073 0.000 2.231 484 V HA -0.391 3.729 4.120 -0.000 0.000 0.250 484 V C 2.791 178.852 176.094 -0.055 0.000 1.058 484 V CA 2.086 64.337 62.300 -0.081 0.000 1.022 484 V CB -1.885 29.896 31.823 -0.070 0.000 0.640 484 V HN 0.577 nan 8.190 nan 0.000 0.445 485 A N 0.494 123.294 122.820 -0.033 0.000 1.893 485 A HA -0.305 4.015 4.320 -0.000 0.000 0.222 485 A C 2.065 179.652 177.584 0.004 0.000 1.309 485 A CA 2.817 54.849 52.037 -0.008 0.000 0.681 485 A CB -0.963 18.035 19.000 -0.004 0.000 0.842 485 A HN 0.601 nan 8.150 nan 0.000 0.468 486 L N -1.411 119.809 121.223 -0.004 0.000 2.610 486 L HA 0.101 4.441 4.340 -0.000 0.000 0.232 486 L C 1.549 178.409 176.870 -0.016 0.000 1.149 486 L CA 0.215 55.062 54.840 0.011 0.000 0.872 486 L CB -0.399 41.669 42.059 0.014 0.000 0.992 486 L HN 0.461 nan 8.230 nan 0.000 0.447 487 I N -2.727 117.794 120.570 -0.082 0.000 4.061 487 I HA 0.001 4.171 4.170 -0.000 0.000 0.254 487 I C 1.543 177.617 176.117 -0.072 0.000 1.038 487 I CA -0.310 60.870 61.300 -0.201 0.000 1.945 487 I CB -0.217 37.524 38.000 -0.431 0.000 1.592 487 I HN -0.107 nan 8.210 nan 0.000 0.449 488 L N 1.327 122.508 121.223 -0.071 0.000 1.908 488 L HA -0.222 4.118 4.340 -0.000 0.000 0.227 488 L C 2.738 179.656 176.870 0.079 0.000 1.087 488 L CA 3.148 58.005 54.840 0.028 0.000 0.797 488 L CB -1.128 40.922 42.059 -0.014 0.000 0.893 488 L HN 0.626 nan 8.230 nan 0.000 0.432 489 T N -2.057 112.529 114.554 0.053 0.000 2.653 489 T HA -0.213 4.137 4.350 -0.000 0.000 0.267 489 T C -0.551 174.201 174.700 0.087 0.000 1.037 489 T CA 1.703 63.846 62.100 0.072 0.000 1.159 489 T CB -2.570 66.326 68.868 0.047 0.000 0.859 489 T HN 0.396 nan 8.240 nan 0.000 0.449 490 P HA -0.092 nan 4.420 nan 0.000 0.210 490 P C 1.712 179.076 177.300 0.108 0.000 1.185 490 P CA 1.984 65.138 63.100 0.090 0.000 0.924 490 P CB -0.623 31.136 31.700 0.098 0.000 0.786 491 A N -1.213 121.692 122.820 0.143 0.000 2.285 491 A HA -0.117 4.203 4.320 -0.000 0.000 0.214 491 A C 2.226 179.895 177.584 0.143 0.000 1.188 491 A CA 1.100 53.233 52.037 0.161 0.000 0.707 491 A CB -1.549 17.595 19.000 0.239 0.000 0.771 491 A HN 0.200 nan 8.150 nan 0.000 0.488 492 L N -2.194 119.109 121.223 0.133 0.000 2.537 492 L HA -0.025 4.315 4.340 -0.000 0.000 0.224 492 L C 2.132 179.056 176.870 0.090 0.000 1.065 492 L CA 0.305 55.222 54.840 0.127 0.000 0.860 492 L CB -0.023 42.142 42.059 0.176 0.000 1.086 492 L HN 0.489 nan 8.230 nan 0.000 0.482 493 C N 0.476 119.826 119.300 0.084 0.000 2.432 493 C HA -0.083 4.377 4.460 -0.000 0.000 0.277 493 C C 2.207 177.230 174.990 0.056 0.000 1.249 493 C CA 0.729 59.788 59.018 0.068 0.000 1.725 493 C CB -1.083 26.696 27.740 0.065 0.000 2.028 493 C HN 0.531 nan 8.230 nan 0.000 0.477 494 A N 0.655 123.511 122.820 0.060 0.000 2.728 494 A HA 0.355 4.675 4.320 -0.000 0.000 0.258 494 A C 1.279 178.887 177.584 0.040 0.000 1.454 494 A CA 1.070 53.136 52.037 0.049 0.000 1.146 494 A CB -0.716 18.317 19.000 0.056 0.000 0.985 494 A HN 0.778 nan 8.150 nan 0.000 0.603 495 T N -3.907 110.665 114.554 0.029 0.000 3.602 495 T HA 0.115 4.465 4.350 -0.000 0.000 0.287 495 T C 1.327 176.021 174.700 -0.009 0.000 0.967 495 T CA 0.596 62.697 62.100 0.000 0.000 1.111 495 T CB -0.419 68.434 68.868 -0.025 0.000 1.156 495 T HN 0.458 nan 8.240 nan 0.000 0.470 496 M N 0.230 119.833 119.600 0.005 0.000 2.306 496 M HA 0.576 5.056 4.480 -0.000 0.000 0.292 496 M C 0.080 176.401 176.300 0.035 0.000 1.018 496 M CA -0.419 54.885 55.300 0.007 0.000 1.007 496 M CB 0.334 32.934 32.600 -0.000 0.000 1.510 496 M HN 0.132 nan 8.290 nan 0.000 0.537 497 L N 2.801 124.047 121.223 0.038 0.000 2.479 497 L HA 0.417 4.757 4.340 -0.000 0.000 0.248 497 L C 0.257 177.146 176.870 0.032 0.000 1.205 497 L CA 0.623 55.490 54.840 0.045 0.000 0.817 497 L CB 0.457 42.545 42.059 0.049 0.000 1.162 497 L HN 0.343 nan 8.230 nan 0.000 0.486 514 G N 0.233 108.898 108.800 -0.224 0.000 2.402 514 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.216 514 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.216 514 G C 1.134 175.754 174.900 -0.468 0.000 1.162 514 G CA 0.870 45.577 45.100 -0.656 0.000 0.777 514 G HN 0.491 nan 8.290 nan 0.000 0.539 515 W N -1.403 119.991 121.300 0.156 0.000 2.996 515 W HA 0.376 5.036 4.660 -0.000 0.000 0.270 515 W C 1.671 178.267 176.519 0.128 0.000 1.280 515 W CA -0.669 56.742 57.345 0.110 0.000 1.549 515 W CB -0.539 28.957 29.460 0.060 0.000 1.079 515 W HN 0.093 nan 8.180 nan 0.000 0.629 516 F N 1.876 121.931 119.950 0.176 0.000 2.173 516 F HA 0.042 4.569 4.527 -0.000 0.000 0.271 516 F C 2.353 178.305 175.800 0.253 0.000 1.153 516 F CA 1.578 59.593 58.000 0.026 0.000 1.095 516 F CB -1.242 37.495 39.000 -0.439 0.000 1.055 516 F HN -0.236 nan 8.300 nan 0.000 0.519 517 N N 0.109 119.219 118.700 0.684 0.000 2.060 517 N HA -0.262 4.478 4.740 -0.000 0.000 0.195 517 N C 1.769 177.530 175.510 0.418 0.000 1.028 517 N CA 1.565 54.844 53.050 0.382 0.000 0.861 517 N CB -0.180 38.468 38.487 0.269 0.000 1.029 517 N HN 0.281 nan 8.380 nan 0.000 0.428 518 R N -0.135 120.540 120.500 0.293 0.000 2.339 518 R HA -0.064 4.276 4.340 -0.000 0.000 0.199 518 R C 2.079 178.510 176.300 0.218 0.000 1.018 518 R CA 0.710 56.923 56.100 0.188 0.000 1.036 518 R CB -0.168 30.162 30.300 0.049 0.000 0.899 518 R HN 0.527 nan 8.270 nan 0.000 0.473 519 M N -0.077 119.691 119.600 0.279 0.000 2.067 519 M HA -0.095 4.385 4.480 -0.000 0.000 0.260 519 M C 1.145 177.542 176.300 0.162 0.000 1.069 519 M CA 1.789 57.175 55.300 0.143 0.000 1.117 519 M CB -0.726 31.851 32.600 -0.039 0.000 1.334 519 M HN -0.127 nan 8.290 nan 0.000 0.407 520 F N 1.438 121.408 119.950 0.034 0.000 2.034 520 F HA -0.254 4.273 4.527 -0.000 0.000 0.298 520 F C 2.622 178.470 175.800 0.080 0.000 1.193 520 F CA 2.491 60.511 58.000 0.033 0.000 1.208 520 F CB -1.831 37.166 39.000 -0.005 0.000 0.945 520 F HN 0.401 nan 8.300 nan 0.000 0.521 521 E N 0.623 121.018 120.200 0.326 0.000 2.301 521 E HA -0.358 3.992 4.350 -0.000 0.000 0.224 521 E C 2.039 178.784 176.600 0.241 0.000 1.092 521 E CA 2.556 59.090 56.400 0.223 0.000 0.913 521 E CB -0.291 29.504 29.700 0.159 0.000 0.776 521 E HN 0.495 nan 8.360 nan 0.000 0.465 522 K N -0.401 120.113 120.400 0.190 0.000 2.103 522 K HA -0.048 4.272 4.320 -0.000 0.000 0.204 522 K C 2.327 179.045 176.600 0.196 0.000 1.052 522 K CA 1.322 57.690 56.287 0.135 0.000 0.945 522 K CB -0.014 32.560 32.500 0.124 0.000 0.722 522 K HN 0.164 nan 8.250 nan 0.000 0.443 523 S N 0.117 115.950 115.700 0.222 0.000 2.522 523 S HA -0.025 4.445 4.470 -0.000 0.000 0.227 523 S C 1.717 176.470 174.600 0.256 0.000 0.986 523 S CA 0.657 59.005 58.200 0.247 0.000 0.929 523 S CB -0.186 63.100 63.200 0.144 0.000 0.769 523 S HN 0.090 nan 8.310 nan 0.000 0.529 524 T N 2.668 117.359 114.554 0.229 0.000 2.453 524 T HA -0.149 4.201 4.350 -0.000 0.000 0.243 524 T C 1.418 176.208 174.700 0.150 0.000 1.254 524 T CA 1.584 63.801 62.100 0.195 0.000 1.327 524 T CB -0.952 67.991 68.868 0.125 0.000 0.885 524 T HN 0.511 nan 8.240 nan 0.000 0.391 525 H N 0.816 119.865 119.070 -0.034 0.000 2.266 525 H HA -0.245 4.311 4.556 -0.000 0.000 0.274 525 H C 2.279 177.551 175.328 -0.094 0.000 1.140 525 H CA 2.517 58.482 56.048 -0.139 0.000 1.186 525 H CB -0.844 28.738 29.762 -0.300 0.000 1.412 525 H HN 0.498 nan 8.280 nan 0.000 0.513 526 H N -0.646 118.557 119.070 0.222 0.000 2.387 526 H HA -0.150 4.406 4.556 -0.000 0.000 0.299 526 H C 2.298 177.749 175.328 0.205 0.000 1.099 526 H CA 1.555 57.707 56.048 0.172 0.000 1.315 526 H CB -0.746 29.111 29.762 0.160 0.000 1.380 526 H HN 0.494 nan 8.280 nan 0.000 0.513 527 Y N 2.364 122.800 120.300 0.226 0.000 2.109 527 Y HA -0.203 4.347 4.550 -0.000 0.000 0.285 527 Y C 2.363 178.312 175.900 0.082 0.000 1.131 527 Y CA 2.042 60.245 58.100 0.173 0.000 1.121 527 Y CB -0.709 37.794 38.460 0.073 0.000 0.987 527 Y HN 0.057 nan 8.280 nan 0.000 0.495 528 T N -0.052 114.315 114.554 -0.312 0.000 2.977 528 T HA -0.134 4.216 4.350 -0.000 0.000 0.271 528 T C 1.199 175.767 174.700 -0.221 0.000 1.105 528 T CA 1.360 63.199 62.100 -0.436 0.000 1.116 528 T CB -0.397 68.275 68.868 -0.326 0.000 0.878 528 T HN 0.330 nan 8.240 nan 0.000 0.509 529 D N 1.568 121.926 120.400 -0.070 0.000 2.117 529 D HA -0.083 4.557 4.640 -0.000 0.000 0.197 529 D C 2.422 178.714 176.300 -0.013 0.000 0.987 529 D CA 1.431 55.429 54.000 -0.003 0.000 0.829 529 D CB -0.288 40.570 40.800 0.097 0.000 0.961 529 D HN 0.537 nan 8.370 nan 0.000 0.460 530 S N 0.055 115.761 115.700 0.009 0.000 2.412 530 S HA 0.000 4.470 4.470 -0.000 0.000 0.199 530 S C 1.326 175.879 174.600 -0.078 0.000 1.099 530 S CA 0.804 59.004 58.200 -0.001 0.000 1.243 530 S CB -0.720 62.541 63.200 0.102 0.000 0.996 530 S HN 0.092 nan 8.310 nan 0.000 0.402 531 V N 1.473 121.337 119.914 -0.084 0.000 0.855 531 V HA -0.269 3.851 4.120 -0.000 0.000 0.100 531 V C 2.101 178.104 176.094 -0.152 0.000 0.982 531 V CA 1.008 63.222 62.300 -0.144 0.000 3.011 531 V CB -2.112 29.539 31.823 -0.286 0.000 0.429 531 V HN 0.949 nan 8.190 nan 0.000 0.116 532 G N 0.504 109.210 108.800 -0.156 0.000 2.663 532 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.222 532 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.222 532 G C 0.831 175.641 174.900 -0.151 0.000 1.146 532 G CA 1.217 46.231 45.100 -0.144 0.000 0.764 532 G HN 2.155 nan 8.290 nan 0.000 0.608 533 G N -0.582 108.138 108.800 -0.135 0.000 2.363 533 G HA2 0.420 4.380 3.960 -0.000 0.000 0.285 533 G HA3 0.420 4.380 3.960 -0.000 0.000 0.285 533 G C 0.316 175.118 174.900 -0.164 0.000 1.084 533 G CA -0.054 44.971 45.100 -0.126 0.000 1.216 533 G HN 0.447 nan 8.290 nan 0.000 0.429 534 I N 0.761 121.199 120.570 -0.221 0.000 5.332 534 I HA -0.098 4.072 4.170 -0.000 0.000 0.359 534 I C 1.877 177.715 176.117 -0.465 0.000 0.818 534 I CA 0.055 61.128 61.300 -0.379 0.000 1.686 534 I CB -0.321 37.402 38.000 -0.461 0.000 2.801 534 I HN 0.481 nan 8.210 nan 0.000 0.907 535 L N -0.570 120.469 121.223 -0.306 0.000 2.418 535 L HA 0.254 4.594 4.340 -0.000 0.000 0.218 535 L C 2.128 178.959 176.870 -0.066 0.000 1.125 535 L CA 0.177 54.923 54.840 -0.157 0.000 0.835 535 L CB -0.570 41.435 42.059 -0.089 0.000 0.953 535 L HN 0.088 nan 8.230 nan 0.000 0.454 536 R N 1.909 122.359 120.500 -0.083 0.000 2.327 536 R HA -0.323 4.017 4.340 -0.000 0.000 0.206 536 R C 1.843 178.133 176.300 -0.016 0.000 1.056 536 R CA 2.739 58.810 56.100 -0.048 0.000 0.564 536 R CB -1.912 28.354 30.300 -0.057 0.000 0.839 536 R HN 0.766 nan 8.270 nan 0.000 0.299 537 S N -1.169 114.530 115.700 -0.001 0.000 2.749 537 S HA 0.207 4.677 4.470 -0.000 0.000 0.246 537 S C -0.248 174.373 174.600 0.037 0.000 1.023 537 S CA -0.054 58.154 58.200 0.014 0.000 1.012 537 S CB 0.708 63.914 63.200 0.010 0.000 0.942 537 S HN 0.412 nan 8.310 nan 0.000 0.531 538 T N -1.673 112.916 114.554 0.057 0.000 3.395 538 T HA 0.583 4.933 4.350 -0.000 0.000 0.330 538 T C 0.803 175.578 174.700 0.126 0.000 1.076 538 T CA -0.411 61.745 62.100 0.093 0.000 1.070 538 T CB 0.940 69.881 68.868 0.122 0.000 1.119 538 T HN 0.086 nan 8.240 nan 0.000 0.462 539 G N 2.005 110.861 108.800 0.094 0.000 2.598 539 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.215 539 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.215 539 G C 1.572 176.561 174.900 0.148 0.000 1.131 539 G CA 0.364 45.523 45.100 0.099 0.000 0.785 539 G HN 0.927 nan 8.290 nan 0.000 0.539 540 R N -0.444 120.139 120.500 0.139 0.000 2.198 540 R HA -0.268 4.072 4.340 -0.000 0.000 0.258 540 R C 1.599 177.901 176.300 0.002 0.000 1.173 540 R CA 1.786 57.911 56.100 0.041 0.000 0.991 540 R CB -0.924 29.335 30.300 -0.068 0.000 0.879 540 R HN 0.432 nan 8.270 nan 0.000 0.460 541 Y N 0.931 121.240 120.300 0.015 0.000 2.457 541 Y HA 0.009 4.559 4.550 -0.000 0.000 0.292 541 Y C 2.305 178.271 175.900 0.111 0.000 1.125 541 Y CA 0.784 58.877 58.100 -0.011 0.000 1.254 541 Y CB -0.243 38.114 38.460 -0.173 0.000 1.012 541 Y HN 0.090 nan 8.280 nan 0.000 0.555 542 L N -0.885 120.483 121.223 0.241 0.000 2.131 542 L HA -0.058 4.282 4.340 -0.000 0.000 0.206 542 L C 1.655 178.685 176.870 0.267 0.000 1.087 542 L CA 0.965 55.911 54.840 0.175 0.000 0.767 542 L CB -0.284 41.805 42.059 0.050 0.000 0.917 542 L HN -0.030 nan 8.230 nan 0.000 0.441 543 V N 0.371 120.403 119.914 0.197 0.000 3.305 543 V HA -0.191 3.929 4.120 -0.000 0.000 0.269 543 V C 2.443 178.659 176.094 0.204 0.000 1.157 543 V CA 0.891 63.294 62.300 0.172 0.000 1.157 543 V CB -0.486 31.396 31.823 0.098 0.000 0.772 543 V HN 0.431 nan 8.190 nan 0.000 0.498 544 L N -1.150 120.235 121.223 0.270 0.000 2.093 544 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 544 L C 2.523 179.535 176.870 0.235 0.000 1.085 544 L CA 1.947 56.932 54.840 0.243 0.000 0.755 544 L CB -0.543 41.706 42.059 0.317 0.000 0.904 544 L HN 0.331 nan 8.230 nan 0.000 0.435 545 Y N 0.374 120.839 120.300 0.275 0.000 2.044 545 Y HA -0.268 4.282 4.550 -0.000 0.000 0.264 545 Y C 2.578 178.562 175.900 0.141 0.000 1.111 545 Y CA 1.143 59.388 58.100 0.241 0.000 1.088 545 Y CB -1.137 37.493 38.460 0.283 0.000 0.981 545 Y HN -0.041 nan 8.280 nan 0.000 0.478 546 L N -0.475 120.937 121.223 0.314 0.000 2.328 546 L HA -0.353 3.987 4.340 -0.000 0.000 0.219 546 L C 2.039 178.982 176.870 0.122 0.000 1.088 546 L CA 1.639 56.582 54.840 0.172 0.000 0.795 546 L CB -0.982 41.161 42.059 0.140 0.000 0.888 546 L HN 0.384 nan 8.230 nan 0.000 0.443 547 I N -1.105 119.538 120.570 0.122 0.000 2.681 547 I HA -0.144 4.026 4.170 -0.000 0.000 0.247 547 I C 2.438 178.595 176.117 0.066 0.000 1.091 547 I CA 0.496 61.847 61.300 0.085 0.000 1.442 547 I CB 0.035 38.079 38.000 0.073 0.000 1.219 547 I HN 0.053 nan 8.210 nan 0.000 0.451 548 I N 0.590 121.183 120.570 0.037 0.000 2.074 548 I HA -0.378 3.792 4.170 -0.000 0.000 0.238 548 I C 2.589 178.717 176.117 0.019 0.000 1.037 548 I CA 1.687 62.983 61.300 -0.007 0.000 1.301 548 I CB -0.523 37.417 38.000 -0.100 0.000 1.016 548 I HN 0.035 nan 8.210 nan 0.000 0.400 549 V N 0.766 120.701 119.914 0.034 0.000 2.220 549 V HA -0.341 3.779 4.120 -0.000 0.000 0.250 549 V C 2.344 178.457 176.094 0.031 0.000 1.053 549 V CA 2.400 64.720 62.300 0.033 0.000 1.019 549 V CB -0.527 31.330 31.823 0.057 0.000 0.646 549 V HN 0.300 nan 8.190 nan 0.000 0.455 550 V N 0.641 120.578 119.914 0.039 0.000 2.909 550 V HA -0.252 3.868 4.120 -0.000 0.000 0.265 550 V C 2.306 178.442 176.094 0.071 0.000 1.128 550 V CA 1.919 64.231 62.300 0.021 0.000 1.149 550 V CB -1.583 30.254 31.823 0.023 0.000 0.725 550 V HN 0.673 nan 8.190 nan 0.000 0.511 551 G N 0.140 109.000 108.800 0.099 0.000 2.395 551 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.214 551 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.214 551 G C 1.554 176.546 174.900 0.153 0.000 1.177 551 G CA 0.847 46.035 45.100 0.147 0.000 0.794 551 G HN 0.585 nan 8.290 nan 0.000 0.532 552 M N 0.899 120.556 119.600 0.094 0.000 2.132 552 M HA 0.279 4.759 4.480 -0.000 0.000 0.263 552 M C 2.615 179.000 176.300 0.141 0.000 1.065 552 M CA 1.923 57.283 55.300 0.100 0.000 1.122 552 M CB -0.302 32.313 32.600 0.024 0.000 1.365 552 M HN 0.139 nan 8.290 nan 0.000 0.411 553 A N -0.005 122.862 122.820 0.080 0.000 1.971 553 A HA -0.232 4.088 4.320 -0.000 0.000 0.222 553 A C 1.898 179.568 177.584 0.144 0.000 1.182 553 A CA 2.043 54.126 52.037 0.078 0.000 0.649 553 A CB -1.441 17.541 19.000 -0.030 0.000 0.818 553 A HN 0.756 nan 8.150 nan 0.000 0.458 554 Y N -0.404 119.962 120.300 0.110 0.000 2.286 554 Y HA 0.049 4.599 4.550 -0.000 0.000 0.293 554 Y C 1.867 177.826 175.900 0.098 0.000 1.124 554 Y CA 1.437 59.590 58.100 0.089 0.000 1.178 554 Y CB -0.128 38.367 38.460 0.059 0.000 1.010 554 Y HN 0.297 nan 8.280 nan 0.000 0.536 555 L N -2.605 118.792 121.223 0.290 0.000 2.628 555 L HA 0.133 4.473 4.340 -0.000 0.000 0.229 555 L C 1.274 178.291 176.870 0.244 0.000 1.137 555 L CA 0.212 55.178 54.840 0.209 0.000 0.909 555 L CB -0.469 41.689 42.059 0.165 0.000 1.137 555 L HN -0.013 nan 8.230 nan 0.000 0.470 556 F N -0.200 119.815 119.950 0.108 0.000 2.746 556 F HA 0.184 4.711 4.527 -0.000 0.000 0.297 556 F C 1.577 177.425 175.800 0.080 0.000 1.113 556 F CA 0.310 58.368 58.000 0.096 0.000 1.367 556 F CB 0.399 39.451 39.000 0.087 0.000 1.111 556 F HN -0.106 nan 8.300 nan 0.000 0.590 557 V N -0.231 119.690 119.914 0.011 0.000 2.795 557 V HA 0.012 4.132 4.120 -0.000 0.000 0.243 557 V C 1.984 178.053 176.094 -0.042 0.000 1.069 557 V CA 0.910 63.164 62.300 -0.076 0.000 1.089 557 V CB -0.574 31.261 31.823 0.020 0.000 0.756 557 V HN 0.068 nan 8.190 nan 0.000 0.471 558 R N 0.199 120.720 120.500 0.035 0.000 2.316 558 R HA 0.116 4.456 4.340 -0.000 0.000 0.202 558 R C 0.351 176.646 176.300 -0.009 0.000 1.029 558 R CA 0.289 56.405 56.100 0.026 0.000 1.018 558 R CB -0.156 30.177 30.300 0.055 0.000 0.888 558 R HN 0.300 nan 8.270 nan 0.000 0.471 559 L N 2.750 123.955 121.223 -0.031 0.000 2.257 559 L HA 0.310 4.650 4.340 -0.000 0.000 0.290 559 L C -2.075 174.738 176.870 -0.094 0.000 1.044 559 L CA -2.451 52.351 54.840 -0.062 0.000 0.810 559 L CB 0.783 42.805 42.059 -0.061 0.000 1.193 559 L HN -0.105 nan 8.230 nan 0.000 0.425 560 P HA 0.242 nan 4.420 nan 0.000 0.272 560 P C -1.401 175.854 177.300 -0.074 0.000 1.240 560 P CA -0.416 62.641 63.100 -0.072 0.000 0.791 560 P CB 0.932 32.600 31.700 -0.053 0.000 0.978 561 S N -0.173 115.497 115.700 -0.049 0.000 2.521 561 S HA 0.730 5.200 4.470 -0.000 0.000 0.295 561 S C -0.372 174.234 174.600 0.010 0.000 1.098 561 S CA -0.594 57.595 58.200 -0.019 0.000 0.999 561 S CB 1.503 64.695 63.200 -0.014 0.000 1.034 561 S HN 0.479 nan 8.310 nan 0.000 0.483 562 S N 0.455 116.175 115.700 0.034 0.000 2.840 562 S HA 0.670 5.140 4.470 -0.000 0.000 0.307 562 S C -0.383 174.294 174.600 0.129 0.000 1.180 562 S CA -0.626 57.618 58.200 0.073 0.000 0.846 562 S CB 0.884 64.108 63.200 0.039 0.000 1.233 562 S HN 0.662 nan 8.310 nan 0.000 0.548 563 F N 0.667 120.597 119.950 -0.034 0.000 2.429 563 F HA 0.615 5.142 4.527 -0.000 0.000 0.245 563 F C -0.418 175.318 175.800 -0.106 0.000 1.048 563 F CA 0.279 58.253 58.000 -0.043 0.000 1.013 563 F CB -0.232 38.744 39.000 -0.040 0.000 1.141 563 F HN 0.382 nan 8.300 nan 0.000 0.653 564 L N 1.878 122.924 121.223 -0.295 0.000 2.346 564 L HA 0.448 4.788 4.340 -0.000 0.000 0.276 564 L C -2.396 174.400 176.870 -0.123 0.000 1.006 564 L CA -1.765 52.842 54.840 -0.389 0.000 0.817 564 L CB 1.644 43.436 42.059 -0.446 0.000 1.272 564 L HN 0.122 nan 8.230 nan 0.000 0.421 565 P HA 0.080 nan 4.420 nan 0.000 0.281 565 P C -0.880 176.430 177.300 0.017 0.000 1.286 565 P CA -0.453 62.639 63.100 -0.013 0.000 0.772 565 P CB 0.913 32.632 31.700 0.032 0.000 0.862 566 D N 2.800 123.212 120.400 0.020 0.000 2.571 566 D HA -0.031 4.609 4.640 -0.000 0.000 0.231 566 D C 0.041 176.367 176.300 0.044 0.000 1.133 566 D CA 1.001 55.015 54.000 0.022 0.000 0.862 566 D CB 0.586 41.401 40.800 0.024 0.000 1.179 566 D HN 0.343 nan 8.370 nan 0.000 0.474 567 E N 0.807 121.029 120.200 0.038 0.000 2.316 567 E HA 0.193 4.543 4.350 -0.000 0.000 0.258 567 E C -0.678 175.946 176.600 0.040 0.000 0.952 567 E CA -0.880 55.562 56.400 0.070 0.000 0.818 567 E CB 1.057 30.862 29.700 0.175 0.000 1.260 567 E HN 0.386 nan 8.360 nan 0.000 0.416 568 D N 1.483 121.956 120.400 0.121 0.000 2.402 568 D HA -0.012 4.628 4.640 -0.000 0.000 0.235 568 D C -0.258 176.188 176.300 0.243 0.000 1.226 568 D CA 0.200 54.325 54.000 0.208 0.000 0.918 568 D CB 0.648 41.635 40.800 0.311 0.000 1.043 568 D HN 0.400 nan 8.370 nan 0.000 0.506 569 Q N 2.162 121.965 119.800 0.005 0.000 2.280 569 Q HA 0.188 4.528 4.340 -0.000 0.000 0.202 569 Q C 1.392 177.594 176.000 0.337 0.000 0.903 569 Q CA 0.152 55.725 55.803 -0.384 0.000 0.948 569 Q CB 0.588 28.912 28.738 -0.690 0.000 1.058 569 Q HN 0.779 nan 8.270 nan 0.000 0.493 570 G N 0.973 110.105 108.800 0.553 0.000 2.175 570 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.265 570 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.265 570 G C 0.247 175.183 174.900 0.061 0.000 0.979 570 G CA 0.585 45.739 45.100 0.090 0.000 0.663 570 G HN 0.462 nan 8.290 nan 0.000 0.533 571 V N -2.828 117.166 119.914 0.134 0.000 3.048 571 V HA 0.933 5.053 4.120 -0.000 0.000 0.303 571 V C -0.532 175.784 176.094 0.370 0.000 1.214 571 V CA -0.922 61.472 62.300 0.156 0.000 0.984 571 V CB 1.757 33.502 31.823 -0.131 0.000 1.054 571 V HN 1.571 nan 8.190 nan 0.000 0.430 572 F N 1.197 121.305 119.950 0.263 0.000 2.741 572 F HA 0.927 5.454 4.527 -0.000 0.000 0.313 572 F C -1.077 174.917 175.800 0.323 0.000 1.153 572 F CA -1.327 56.855 58.000 0.304 0.000 0.931 572 F CB 2.058 41.210 39.000 0.252 0.000 1.335 572 F HN 0.766 nan 8.300 nan 0.000 0.460 573 M N 1.072 120.933 119.600 0.436 0.000 2.530 573 M HA 0.741 5.221 4.480 -0.000 0.000 0.307 573 M C -1.518 174.970 176.300 0.314 0.000 1.161 573 M CA -0.704 54.709 55.300 0.188 0.000 0.903 573 M CB 2.180 34.852 32.600 0.120 0.000 1.711 573 M HN 0.630 nan 8.290 nan 0.000 0.451 574 T N 2.272 116.831 114.554 0.008 0.000 2.823 574 T HA 0.637 4.987 4.350 -0.000 0.000 0.279 574 T C -0.122 174.447 174.700 -0.217 0.000 0.998 574 T CA -0.775 61.332 62.100 0.012 0.000 0.994 574 T CB 1.372 70.292 68.868 0.087 0.000 0.960 574 T HN 0.506 nan 8.240 nan 0.000 0.448 575 M N 2.358 121.705 119.600 -0.421 0.000 2.245 575 M HA 0.442 4.922 4.480 -0.000 0.000 0.292 575 M C 1.016 177.060 176.300 -0.427 0.000 1.176 575 M CA -1.198 53.808 55.300 -0.490 0.000 1.035 575 M CB 0.753 32.821 32.600 -0.887 0.000 1.440 575 M HN 0.541 nan 8.290 nan 0.000 0.494 576 V N -1.289 118.439 119.914 -0.311 0.000 3.415 576 V HA 0.146 4.266 4.120 -0.000 0.000 0.315 576 V C 0.259 176.260 176.094 -0.156 0.000 1.516 576 V CA -0.625 61.530 62.300 -0.241 0.000 1.122 576 V CB -0.479 31.223 31.823 -0.201 0.000 0.988 576 V HN 0.820 nan 8.190 nan 0.000 0.474 577 Q N 1.792 121.516 119.800 -0.127 0.000 2.536 577 Q HA 0.010 4.350 4.340 -0.000 0.000 0.252 577 Q C 0.089 176.076 176.000 -0.021 0.000 1.321 577 Q CA 0.521 56.297 55.803 -0.045 0.000 0.927 577 Q CB -0.915 27.822 28.738 -0.001 0.000 1.564 577 Q HN 0.655 nan 8.270 nan 0.000 0.518 578 L N 3.419 124.621 121.223 -0.034 0.000 2.489 578 L HA 0.028 4.368 4.340 -0.000 0.000 0.285 578 L C -1.418 175.451 176.870 -0.002 0.000 1.259 578 L CA -0.515 54.313 54.840 -0.021 0.000 0.828 578 L CB -0.347 41.693 42.059 -0.032 0.000 1.094 578 L HN 0.434 nan 8.230 nan 0.000 0.524 579 P HA 0.184 nan 4.420 nan 0.000 0.297 579 P C -1.299 176.012 177.300 0.018 0.000 1.303 579 P CA -0.606 62.503 63.100 0.015 0.000 0.753 579 P CB 0.460 32.168 31.700 0.014 0.000 1.281 580 A N -1.311 121.525 122.820 0.027 0.000 2.371 580 A HA 0.497 4.817 4.320 -0.000 0.000 0.257 580 A C 1.308 178.913 177.584 0.036 0.000 1.089 580 A CA 0.365 52.423 52.037 0.034 0.000 0.794 580 A CB -1.258 17.767 19.000 0.042 0.000 1.029 580 A HN 0.856 nan 8.150 nan 0.000 0.488 581 G N -0.127 108.696 108.800 0.037 0.000 2.184 581 G HA2 0.041 4.001 3.960 -0.000 0.000 0.264 581 G HA3 0.041 4.001 3.960 -0.000 0.000 0.264 581 G C 0.854 175.768 174.900 0.024 0.000 0.975 581 G CA 1.074 46.197 45.100 0.039 0.000 0.642 581 G HN 1.983 nan 8.290 nan 0.000 0.536 582 A N -0.429 122.400 122.820 0.014 0.000 2.529 582 A HA 0.745 5.065 4.320 -0.000 0.000 0.243 582 A C 1.118 178.704 177.584 0.004 0.000 1.781 582 A CA 1.633 53.672 52.037 0.004 0.000 0.877 582 A CB -0.202 18.796 19.000 -0.004 0.000 1.601 582 A HN 1.986 nan 8.150 nan 0.000 0.674 583 T N -3.561 110.992 114.554 -0.003 0.000 2.879 583 T HA 0.443 4.793 4.350 -0.000 0.000 0.290 583 T C 0.424 175.122 174.700 -0.003 0.000 0.993 583 T CA 0.126 62.226 62.100 -0.001 0.000 0.975 583 T CB 1.577 70.441 68.868 -0.006 0.000 0.981 583 T HN 0.739 nan 8.240 nan 0.000 0.439 584 Q N 1.843 121.646 119.800 0.005 0.000 2.028 584 Q HA -0.363 3.977 4.340 -0.000 0.000 0.215 584 Q C 1.844 177.838 176.000 -0.009 0.000 1.041 584 Q CA 2.897 58.703 55.803 0.005 0.000 0.897 584 Q CB -0.372 28.377 28.738 0.019 0.000 1.017 584 Q HN 0.920 nan 8.270 nan 0.000 0.418 585 E N -0.253 119.941 120.200 -0.010 0.000 2.086 585 E HA -0.301 4.049 4.350 -0.000 0.000 0.200 585 E C 2.137 178.721 176.600 -0.026 0.000 1.012 585 E CA 1.648 58.036 56.400 -0.019 0.000 0.812 585 E CB -0.220 29.468 29.700 -0.019 0.000 0.743 585 E HN 0.397 nan 8.360 nan 0.000 0.453 586 R N -0.276 120.209 120.500 -0.025 0.000 2.189 586 R HA -0.076 4.264 4.340 -0.000 0.000 0.218 586 R C 1.983 178.259 176.300 -0.040 0.000 1.074 586 R CA 1.462 57.543 56.100 -0.031 0.000 0.991 586 R CB -0.043 30.241 30.300 -0.027 0.000 0.883 586 R HN 0.131 nan 8.270 nan 0.000 0.457 587 T N 0.888 115.419 114.554 -0.038 0.000 2.668 587 T HA -0.126 4.224 4.350 -0.000 0.000 0.262 587 T C 1.497 176.158 174.700 -0.064 0.000 1.045 587 T CA 0.845 62.916 62.100 -0.049 0.000 1.152 587 T CB -0.173 68.672 68.868 -0.039 0.000 0.864 587 T HN 0.200 nan 8.240 nan 0.000 0.419 588 Q N 1.426 121.191 119.800 -0.058 0.000 2.028 588 Q HA -0.252 4.088 4.340 -0.000 0.000 0.215 588 Q C 2.185 178.143 176.000 -0.070 0.000 1.041 588 Q CA 1.827 57.591 55.803 -0.065 0.000 0.897 588 Q CB -0.669 28.038 28.738 -0.052 0.000 1.017 588 Q HN 0.486 nan 8.270 nan 0.000 0.418 589 K N -0.607 119.757 120.400 -0.060 0.000 1.989 589 K HA -0.282 4.038 4.320 -0.000 0.000 0.230 589 K C 2.044 178.600 176.600 -0.074 0.000 0.947 589 K CA 2.474 58.725 56.287 -0.059 0.000 1.009 589 K CB -1.144 31.325 32.500 -0.052 0.000 0.725 589 K HN 0.163 nan 8.250 nan 0.000 0.511 590 V N 1.590 121.450 119.914 -0.090 0.000 2.233 590 V HA -0.310 3.810 4.120 -0.000 0.000 0.252 590 V C 2.511 178.514 176.094 -0.151 0.000 1.063 590 V CA 1.863 64.085 62.300 -0.131 0.000 1.032 590 V CB -0.438 31.301 31.823 -0.140 0.000 0.645 590 V HN 0.277 nan 8.190 nan 0.000 0.446 591 L N -0.091 121.050 121.223 -0.136 0.000 1.929 591 L HA -0.276 4.064 4.340 -0.000 0.000 0.229 591 L C 2.153 178.975 176.870 -0.080 0.000 1.086 591 L CA 2.469 57.230 54.840 -0.131 0.000 0.798 591 L CB -2.091 39.889 42.059 -0.132 0.000 0.898 591 L HN 0.495 nan 8.230 nan 0.000 0.436 592 N N -0.801 117.860 118.700 -0.065 0.000 2.144 592 N HA -0.338 4.402 4.740 -0.000 0.000 0.165 592 N C 1.438 176.962 175.510 0.023 0.000 0.756 592 N CA 2.305 55.335 53.050 -0.033 0.000 0.879 592 N CB -0.237 38.219 38.487 -0.051 0.000 0.975 592 N HN 0.531 nan 8.380 nan 0.000 1.054 593 E N 0.416 120.619 120.200 0.006 0.000 2.026 593 E HA -0.223 4.127 4.350 -0.000 0.000 0.206 593 E C 2.207 178.915 176.600 0.180 0.000 1.028 593 E CA 1.898 58.343 56.400 0.075 0.000 0.845 593 E CB -0.530 29.174 29.700 0.006 0.000 0.772 593 E HN 0.203 nan 8.360 nan 0.000 0.462 594 V N 1.778 121.714 119.914 0.037 0.000 2.236 594 V HA -0.351 3.768 4.120 -0.000 0.000 0.255 594 V C 2.497 178.871 176.094 0.467 0.000 1.068 594 V CA 2.686 65.108 62.300 0.203 0.000 1.044 594 V CB -1.528 30.255 31.823 -0.066 0.000 0.653 594 V HN 0.406 nan 8.190 nan 0.000 0.448 595 T N -2.165 112.536 114.554 0.244 0.000 2.977 595 T HA -0.184 4.166 4.350 -0.000 0.000 0.271 595 T C 1.515 176.385 174.700 0.283 0.000 1.105 595 T CA 1.760 63.983 62.100 0.206 0.000 1.116 595 T CB -0.310 68.606 68.868 0.080 0.000 0.878 595 T HN 0.644 nan 8.240 nan 0.000 0.509 596 H N 0.131 119.314 119.070 0.188 0.000 2.428 596 H HA 0.121 4.677 4.556 -0.000 0.000 0.323 596 H C 1.721 177.201 175.328 0.254 0.000 1.091 596 H CA 0.930 57.076 56.048 0.163 0.000 1.501 596 H CB -0.984 28.852 29.762 0.122 0.000 1.508 596 H HN 0.166 nan 8.280 nan 0.000 0.608 597 Y N 0.061 120.488 120.300 0.213 0.000 2.212 597 Y HA -0.553 3.997 4.550 -0.000 0.000 0.188 597 Y C 2.280 178.181 175.900 0.001 0.000 1.270 597 Y CA 2.863 61.009 58.100 0.077 0.000 0.872 597 Y CB -1.473 37.073 38.460 0.143 0.000 0.674 597 Y HN 0.439 nan 8.280 nan 0.000 0.578 598 Y N -0.683 119.809 120.300 0.321 0.000 1.993 598 Y HA -0.370 4.180 4.550 -0.000 0.000 0.267 598 Y C 2.546 178.385 175.900 -0.101 0.000 1.155 598 Y CA 1.832 60.003 58.100 0.118 0.000 1.105 598 Y CB -1.289 37.330 38.460 0.265 0.000 0.960 598 Y HN 0.379 nan 8.280 nan 0.000 0.486 599 L N -0.005 121.288 121.223 0.117 0.000 2.030 599 L HA -0.335 4.005 4.340 -0.000 0.000 0.222 599 L C 2.573 179.342 176.870 -0.168 0.000 1.082 599 L CA 2.781 57.596 54.840 -0.041 0.000 0.785 599 L CB -1.216 40.814 42.059 -0.049 0.000 0.895 599 L HN 0.617 nan 8.230 nan 0.000 0.439 600 T N -2.830 111.527 114.554 -0.329 0.000 2.612 600 T HA -0.205 4.145 4.350 -0.000 0.000 0.251 600 T C 1.845 176.374 174.700 -0.285 0.000 1.090 600 T CA 1.211 63.103 62.100 -0.347 0.000 1.198 600 T CB -0.564 68.026 68.868 -0.463 0.000 0.878 600 T HN 0.361 nan 8.240 nan 0.000 0.401 601 K N 1.526 121.674 120.400 -0.420 0.000 1.970 601 K HA -0.131 4.189 4.320 -0.000 0.000 0.225 601 K C 1.517 177.920 176.600 -0.328 0.000 1.045 601 K CA 1.792 57.801 56.287 -0.463 0.000 1.002 601 K CB -0.421 31.544 32.500 -0.892 0.000 0.743 601 K HN 0.511 nan 8.250 nan 0.000 0.445 602 E N 1.370 121.340 120.200 -0.384 0.000 2.773 602 E HA -0.070 4.280 4.350 -0.000 0.000 0.302 602 E C 0.614 177.175 176.600 -0.066 0.000 1.574 602 E CA -0.083 56.224 56.400 -0.155 0.000 1.775 602 E CB 0.245 29.905 29.700 -0.066 0.000 1.413 602 E HN 0.318 nan 8.360 nan 0.000 0.471 603 K N 1.279 121.622 120.400 -0.094 0.000 2.211 603 K HA -0.133 4.187 4.320 -0.000 0.000 0.203 603 K C 1.230 177.816 176.600 -0.023 0.000 1.050 603 K CA 0.748 57.001 56.287 -0.057 0.000 0.945 603 K CB 0.216 32.669 32.500 -0.079 0.000 0.732 603 K HN 0.153 nan 8.250 nan 0.000 0.451 604 N N 1.247 119.934 118.700 -0.022 0.000 2.166 604 N HA -0.137 4.603 4.740 -0.000 0.000 0.186 604 N C 1.052 176.569 175.510 0.012 0.000 1.019 604 N CA 1.551 54.598 53.050 -0.006 0.000 0.856 604 N CB -0.315 38.168 38.487 -0.007 0.000 0.993 604 N HN 0.465 nan 8.380 nan 0.000 0.426 605 N N 0.262 118.983 118.700 0.035 0.000 2.335 605 N HA 0.031 4.771 4.740 -0.000 0.000 0.197 605 N C 0.276 175.826 175.510 0.066 0.000 1.045 605 N CA -0.017 53.068 53.050 0.060 0.000 0.928 605 N CB -0.293 38.256 38.487 0.104 0.000 1.118 605 N HN -0.219 nan 8.380 nan 0.000 0.471 606 V N 2.914 122.899 119.914 0.118 0.000 2.999 606 V HA -0.132 3.988 4.120 -0.000 0.000 0.241 606 V C 1.315 177.433 176.094 0.041 0.000 0.954 606 V CA 0.943 63.313 62.300 0.117 0.000 1.159 606 V CB -0.893 31.048 31.823 0.195 0.000 0.905 606 V HN 0.322 nan 8.190 nan 0.000 0.484 607 E N 2.650 122.863 120.200 0.022 0.000 2.347 607 E HA -0.029 4.321 4.350 -0.000 0.000 0.196 607 E C 0.790 177.397 176.600 0.012 0.000 1.008 607 E CA 0.859 57.262 56.400 0.005 0.000 0.852 607 E CB 0.233 29.928 29.700 -0.008 0.000 0.783 607 E HN 0.817 nan 8.360 nan 0.000 0.505 608 S N -1.879 113.829 115.700 0.013 0.000 2.608 608 S HA 0.396 4.866 4.470 -0.000 0.000 0.285 608 S C -1.838 172.775 174.600 0.021 0.000 1.108 608 S CA -0.737 57.480 58.200 0.028 0.000 0.858 608 S CB 0.995 64.332 63.200 0.228 0.000 1.077 608 S HN -0.090 nan 8.310 nan 0.000 0.450 609 V N 3.942 123.857 119.914 0.002 0.000 2.488 609 V HA 0.532 4.652 4.120 -0.000 0.000 0.293 609 V C -1.232 174.952 176.094 0.151 0.000 1.027 609 V CA -0.466 61.839 62.300 0.009 0.000 0.862 609 V CB 1.311 33.093 31.823 -0.068 0.000 1.008 609 V HN 0.852 nan 8.190 nan 0.000 0.428 610 F N 5.515 125.493 119.950 0.047 0.000 2.293 610 F HA 0.781 5.308 4.527 -0.000 0.000 0.370 610 F C 0.491 176.234 175.800 -0.095 0.000 1.090 610 F CA -0.600 57.442 58.000 0.071 0.000 1.133 610 F CB 0.717 39.757 39.000 0.066 0.000 1.360 610 F HN 0.542 nan 8.300 nan 0.000 0.489 611 A N 5.038 127.671 122.820 -0.312 0.000 2.309 611 A HA 0.735 5.055 4.320 -0.000 0.000 0.298 611 A C -1.220 176.069 177.584 -0.493 0.000 1.165 611 A CA -0.546 51.282 52.037 -0.347 0.000 0.821 611 A CB 1.046 19.909 19.000 -0.228 0.000 1.102 611 A HN 0.538 nan 8.150 nan 0.000 0.500 612 V N 4.063 123.700 119.914 -0.461 0.000 2.462 612 V HA 0.227 4.347 4.120 -0.000 0.000 0.288 612 V C -0.533 175.435 176.094 -0.209 0.000 1.020 612 V CA -0.802 61.242 62.300 -0.427 0.000 0.857 612 V CB 1.374 32.832 31.823 -0.608 0.000 1.013 612 V HN 0.964 nan 8.190 nan 0.000 0.431 613 N N 3.192 121.815 118.700 -0.128 0.000 2.473 613 N HA 0.616 5.356 4.740 -0.000 0.000 0.291 613 N C 0.937 176.460 175.510 0.022 0.000 1.083 613 N CA 1.055 54.070 53.050 -0.057 0.000 0.951 613 N CB 1.875 40.324 38.487 -0.062 0.000 1.164 613 N HN 0.901 nan 8.380 nan 0.000 0.480 614 G N 2.170 110.990 108.800 0.033 0.000 2.195 614 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.224 614 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.224 614 G C -0.061 174.863 174.900 0.040 0.000 0.990 614 G CA -0.172 44.952 45.100 0.040 0.000 0.639 614 G HN 0.551 nan 8.290 nan 0.000 0.514 615 F N 3.070 123.024 119.950 0.007 0.000 2.462 615 F HA 0.552 5.079 4.527 -0.000 0.000 0.354 615 F C 1.048 176.862 175.800 0.023 0.000 1.192 615 F CA 0.028 58.057 58.000 0.048 0.000 1.173 615 F CB 0.315 39.363 39.000 0.080 0.000 1.402 615 F HN 0.208 nan 8.300 nan 0.000 0.595 616 G N 4.908 113.606 108.800 -0.169 0.000 2.355 616 G HA2 0.070 4.030 3.960 -0.000 0.000 0.276 616 G HA3 0.070 4.030 3.960 -0.000 0.000 0.276 616 G C 0.240 175.262 174.900 0.204 0.000 1.198 616 G CA -0.426 44.691 45.100 0.029 0.000 0.876 616 G HN 0.823 nan 8.290 nan 0.000 0.478 617 F N 1.773 121.858 119.950 0.226 0.000 2.743 617 F HA 0.159 4.686 4.527 -0.000 0.000 0.297 617 F C 2.195 178.102 175.800 0.178 0.000 1.131 617 F CA 0.263 58.468 58.000 0.340 0.000 1.426 617 F CB 0.616 39.811 39.000 0.324 0.000 1.116 617 F HN 0.565 nan 8.300 nan 0.000 0.583 618 A N 0.081 123.070 122.820 0.282 0.000 2.303 618 A HA 0.484 4.804 4.320 -0.000 0.000 0.217 618 A C 0.742 178.374 177.584 0.080 0.000 1.205 618 A CA 0.661 52.782 52.037 0.139 0.000 0.875 618 A CB -0.118 18.955 19.000 0.121 0.000 0.910 618 A HN 0.329 nan 8.150 nan 0.000 0.501 619 G N 0.591 109.423 108.800 0.052 0.000 3.306 619 G HA2 0.069 4.029 3.960 -0.000 0.000 0.672 619 G HA3 0.069 4.029 3.960 -0.000 0.000 0.672 619 G C -0.299 174.574 174.900 -0.045 0.000 1.212 619 G CA -0.780 44.317 45.100 -0.005 0.000 1.150 619 G HN 0.386 nan 8.290 nan 0.000 0.509 620 R N -0.045 120.390 120.500 -0.108 0.000 2.791 620 R HA 0.246 4.586 4.340 -0.000 0.000 0.300 620 R C 1.046 177.306 176.300 -0.067 0.000 0.935 620 R CA 1.613 57.632 56.100 -0.135 0.000 1.134 620 R CB -0.534 29.709 30.300 -0.095 0.000 1.035 620 R HN 2.453 nan 8.270 nan 0.000 0.455 621 G N -1.790 106.982 108.800 -0.047 0.000 2.352 621 G HA2 0.011 3.971 3.960 -0.000 0.000 0.303 621 G HA3 0.011 3.971 3.960 -0.000 0.000 0.303 621 G C -0.158 174.742 174.900 -0.000 0.000 1.593 621 G CA -0.423 44.670 45.100 -0.012 0.000 0.963 621 G HN 0.331 nan 8.290 nan 0.000 0.685 622 Q N -0.299 119.508 119.800 0.011 0.000 2.123 622 Q HA -0.059 4.281 4.340 -0.000 0.000 0.196 622 Q C 2.187 178.190 176.000 0.005 0.000 0.958 622 Q CA 1.771 57.582 55.803 0.015 0.000 0.841 622 Q CB 0.070 28.822 28.738 0.023 0.000 0.915 622 Q HN 0.777 nan 8.270 nan 0.000 0.455 623 N N 0.202 118.905 118.700 0.005 0.000 2.075 623 N HA -0.108 4.632 4.740 -0.000 0.000 0.182 623 N C 0.432 175.936 175.510 -0.009 0.000 1.092 623 N CA 0.845 53.894 53.050 -0.001 0.000 0.957 623 N CB -1.205 37.287 38.487 0.008 0.000 1.071 623 N HN -0.000 nan 8.380 nan 0.000 0.456 624 T N -2.674 111.877 114.554 -0.004 0.000 2.746 624 T HA 0.236 4.586 4.350 -0.000 0.000 0.267 624 T C 0.418 175.112 174.700 -0.010 0.000 1.022 624 T CA 0.089 62.184 62.100 -0.008 0.000 1.144 624 T CB -0.426 68.457 68.868 0.026 0.000 1.061 624 T HN 0.689 nan 8.240 nan 0.000 0.470 625 G N 1.822 110.600 108.800 -0.036 0.000 2.870 625 G HA2 0.686 4.646 3.960 -0.000 0.000 0.299 625 G HA3 0.686 4.646 3.960 -0.000 0.000 0.299 625 G C -1.522 173.314 174.900 -0.108 0.000 1.324 625 G CA -0.903 44.182 45.100 -0.025 0.000 0.808 625 G HN 0.973 nan 8.290 nan 0.000 0.535 626 I N -0.838 119.593 120.570 -0.231 0.000 3.174 626 I HA 0.766 4.936 4.170 -0.000 0.000 0.313 626 I C -0.705 175.080 176.117 -0.555 0.000 1.155 626 I CA -1.127 59.906 61.300 -0.446 0.000 0.977 626 I CB 2.398 39.964 38.000 -0.722 0.000 1.248 626 I HN 0.801 nan 8.210 nan 0.000 0.453 627 A N 3.684 126.164 122.820 -0.568 0.000 2.374 627 A HA 0.689 5.009 4.320 -0.000 0.000 0.305 627 A C -1.551 175.651 177.584 -0.637 0.000 1.053 627 A CA -0.348 51.343 52.037 -0.577 0.000 0.726 627 A CB 0.592 19.384 19.000 -0.346 0.000 1.229 627 A HN 0.464 nan 8.150 nan 0.000 0.431 628 F N 2.429 122.176 119.950 -0.337 0.000 2.404 628 F HA 0.416 4.943 4.527 -0.000 0.000 0.359 628 F C 0.409 176.038 175.800 -0.285 0.000 1.134 628 F CA -0.512 57.289 58.000 -0.332 0.000 1.160 628 F CB 1.112 39.902 39.000 -0.350 0.000 1.186 628 F HN 0.228 nan 8.300 nan 0.000 0.526 629 V N 2.709 122.403 119.914 -0.366 0.000 2.509 629 V HA 0.327 4.447 4.120 -0.000 0.000 0.284 629 V C -0.036 175.896 176.094 -0.269 0.000 1.047 629 V CA -0.327 61.680 62.300 -0.488 0.000 0.952 629 V CB 1.814 33.005 31.823 -1.054 0.000 0.988 629 V HN 0.746 nan 8.190 nan 0.000 0.469 630 S N 5.234 120.874 115.700 -0.100 0.000 2.596 630 S HA 0.569 5.039 4.470 -0.000 0.000 0.318 630 S C -0.418 174.185 174.600 0.005 0.000 1.097 630 S CA -0.697 57.492 58.200 -0.019 0.000 1.080 630 S CB 0.391 63.601 63.200 0.017 0.000 0.991 630 S HN 0.432 nan 8.310 nan 0.000 0.471 631 L N 3.570 124.811 121.223 0.030 0.000 2.444 631 L HA 0.388 4.728 4.340 -0.000 0.000 0.251 631 L C 1.229 178.046 176.870 -0.089 0.000 1.247 631 L CA 0.558 55.408 54.840 0.017 0.000 0.825 631 L CB -0.232 41.850 42.059 0.038 0.000 1.129 631 L HN 0.621 nan 8.230 nan 0.000 0.527 632 K N -0.210 120.130 120.400 -0.101 0.000 2.399 632 K HA 0.152 4.472 4.320 -0.000 0.000 0.247 632 K C -0.723 175.691 176.600 -0.310 0.000 1.036 632 K CA -0.915 55.284 56.287 -0.147 0.000 0.977 632 K CB 0.358 32.813 32.500 -0.074 0.000 1.272 632 K HN 0.498 nan 8.250 nan 0.000 0.501 633 D N -0.085 120.138 120.400 -0.295 0.000 2.449 633 D HA -0.081 4.559 4.640 -0.000 0.000 0.236 633 D C 0.580 176.681 176.300 -0.331 0.000 1.149 633 D CA 0.116 53.838 54.000 -0.463 0.000 0.878 633 D CB 0.428 41.148 40.800 -0.134 0.000 1.198 633 D HN 0.310 nan 8.370 nan 0.000 0.446 634 W N 3.352 124.700 121.300 0.081 0.000 2.436 634 W HA 0.107 4.767 4.660 -0.000 0.000 0.284 634 W C 2.139 178.697 176.519 0.066 0.000 1.225 634 W CA 0.513 57.909 57.345 0.085 0.000 1.271 634 W CB -1.605 27.920 29.460 0.109 0.000 1.114 634 W HN 0.470 nan 8.180 nan 0.000 0.559 635 A N 2.113 125.193 122.820 0.433 0.000 1.879 635 A HA -0.343 3.977 4.320 -0.000 0.000 0.222 635 A C 1.539 179.211 177.584 0.146 0.000 1.368 635 A CA 2.644 54.822 52.037 0.235 0.000 0.707 635 A CB -1.406 17.711 19.000 0.196 0.000 0.846 635 A HN 0.308 nan 8.150 nan 0.000 0.468 636 D N -0.030 120.428 120.400 0.097 0.000 2.387 636 D HA 0.023 4.663 4.640 -0.000 0.000 0.257 636 D C 0.420 176.759 176.300 0.065 0.000 1.198 636 D CA 0.638 54.674 54.000 0.059 0.000 0.945 636 D CB -0.316 40.498 40.800 0.024 0.000 0.907 636 D HN 0.500 nan 8.370 nan 0.000 0.518 637 R N 0.461 121.023 120.500 0.104 0.000 2.570 637 R HA 0.154 4.494 4.340 -0.000 0.000 0.246 637 R C -2.644 173.731 176.300 0.124 0.000 1.417 637 R CA -0.971 55.192 56.100 0.106 0.000 1.525 637 R CB 1.659 32.028 30.300 0.115 0.000 1.403 637 R HN 0.076 nan 8.270 nan 0.000 0.754 638 P HA 0.130 nan 4.420 nan 0.000 0.274 638 P C 0.280 177.623 177.300 0.072 0.000 1.246 638 P CA 0.453 63.606 63.100 0.088 0.000 0.795 638 P CB 0.756 32.497 31.700 0.069 0.000 1.006 639 G N 1.650 110.488 108.800 0.064 0.000 3.177 639 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.682 639 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.682 639 G C 0.525 175.454 174.900 0.049 0.000 1.002 639 G CA -0.158 44.970 45.100 0.047 0.000 0.910 639 G HN 0.584 nan 8.290 nan 0.000 0.538 640 E N 1.567 121.792 120.200 0.042 0.000 2.504 640 E HA -0.138 4.212 4.350 -0.000 0.000 0.206 640 E C 1.747 178.367 176.600 0.033 0.000 1.109 640 E CA 1.361 57.785 56.400 0.041 0.000 0.906 640 E CB 0.071 29.788 29.700 0.028 0.000 0.843 640 E HN 0.708 nan 8.360 nan 0.000 0.584 641 E N 0.315 120.534 120.200 0.032 0.000 2.086 641 E HA -0.061 4.289 4.350 -0.000 0.000 0.190 641 E C 1.084 177.706 176.600 0.035 0.000 0.975 641 E CA 0.778 57.193 56.400 0.025 0.000 0.813 641 E CB 0.083 29.795 29.700 0.021 0.000 0.768 641 E HN 0.210 nan 8.360 nan 0.000 0.457 642 N N 0.177 118.909 118.700 0.053 0.000 2.336 642 N HA 0.019 4.759 4.740 -0.000 0.000 0.189 642 N C -0.086 175.483 175.510 0.098 0.000 1.113 642 N CA 0.091 53.184 53.050 0.072 0.000 0.858 642 N CB 0.241 38.773 38.487 0.076 0.000 0.970 642 N HN -0.049 nan 8.380 nan 0.000 0.471 643 K N 0.797 121.252 120.400 0.092 0.000 2.416 643 K HA 0.082 4.402 4.320 -0.000 0.000 0.283 643 K C 1.156 177.785 176.600 0.048 0.000 1.037 643 K CA -0.155 56.192 56.287 0.101 0.000 0.995 643 K CB 0.528 33.082 32.500 0.089 0.000 0.938 643 K HN -0.250 nan 8.250 nan 0.000 0.475 644 V N 3.512 123.456 119.914 0.050 0.000 2.255 644 V HA -0.423 3.697 4.120 -0.000 0.000 0.258 644 V C 2.163 178.192 176.094 -0.107 0.000 1.069 644 V CA 2.606 64.863 62.300 -0.072 0.000 1.082 644 V CB -0.882 30.945 31.823 0.007 0.000 0.707 644 V HN 1.058 nan 8.190 nan 0.000 0.466 645 E N 0.495 120.676 120.200 -0.030 0.000 2.169 645 E HA -0.259 4.091 4.350 -0.000 0.000 0.202 645 E C 1.812 178.394 176.600 -0.030 0.000 1.016 645 E CA 2.420 58.808 56.400 -0.022 0.000 0.817 645 E CB -0.488 29.218 29.700 0.010 0.000 0.736 645 E HN 0.649 nan 8.360 nan 0.000 0.462 646 A N 0.164 122.971 122.820 -0.022 0.000 1.997 646 A HA 0.106 4.426 4.320 -0.000 0.000 0.212 646 A C 2.140 179.704 177.584 -0.034 0.000 1.178 646 A CA 0.744 52.770 52.037 -0.020 0.000 0.698 646 A CB -0.247 18.751 19.000 -0.002 0.000 0.842 646 A HN 0.302 nan 8.150 nan 0.000 0.458 647 I N -0.162 120.382 120.570 -0.045 0.000 2.099 647 I HA -0.238 3.932 4.170 -0.000 0.000 0.239 647 I C 2.585 178.647 176.117 -0.091 0.000 1.066 647 I CA 2.143 63.421 61.300 -0.038 0.000 1.324 647 I CB -1.882 36.099 38.000 -0.033 0.000 1.037 647 I HN 0.286 nan 8.210 nan 0.000 0.401 648 T N 1.259 115.673 114.554 -0.234 0.000 2.594 648 T HA -0.264 4.086 4.350 -0.000 0.000 0.266 648 T C 1.858 176.526 174.700 -0.054 0.000 1.070 648 T CA 1.892 63.876 62.100 -0.193 0.000 1.166 648 T CB -0.060 68.708 68.868 -0.167 0.000 0.862 648 T HN 0.075 nan 8.240 nan 0.000 0.436 649 M N 1.168 120.738 119.600 -0.050 0.000 3.682 649 M HA -0.093 4.387 4.480 -0.000 0.000 0.302 649 M C 2.541 178.799 176.300 -0.069 0.000 1.070 649 M CA 2.005 57.281 55.300 -0.039 0.000 1.062 649 M CB -1.271 31.311 32.600 -0.029 0.000 1.139 649 M HN 0.416 nan 8.290 nan 0.000 0.639 650 R N 0.962 121.424 120.500 -0.064 0.000 2.153 650 R HA -0.203 4.137 4.340 -0.000 0.000 0.252 650 R C 1.985 178.167 176.300 -0.198 0.000 1.158 650 R CA 1.978 58.027 56.100 -0.085 0.000 0.975 650 R CB -1.806 28.472 30.300 -0.035 0.000 0.871 650 R HN 0.489 nan 8.270 nan 0.000 0.450 651 A N 1.360 124.045 122.820 -0.226 0.000 1.883 651 A HA -0.295 4.025 4.320 -0.000 0.000 0.222 651 A C 2.430 179.559 177.584 -0.758 0.000 1.339 651 A CA 2.943 54.645 52.037 -0.559 0.000 0.692 651 A CB -1.539 17.313 19.000 -0.247 0.000 0.845 651 A HN 0.547 nan 8.150 nan 0.000 0.467 652 T N -0.116 114.256 114.554 -0.302 0.000 2.821 652 T HA -0.128 4.222 4.350 -0.000 0.000 0.267 652 T C 1.885 176.527 174.700 -0.097 0.000 1.046 652 T CA 1.623 63.658 62.100 -0.107 0.000 1.139 652 T CB -0.368 68.525 68.868 0.042 0.000 0.871 652 T HN 0.763 nan 8.240 nan 0.000 0.454 653 R N 2.176 122.601 120.500 -0.124 0.000 2.115 653 R HA -0.069 4.271 4.340 -0.000 0.000 0.239 653 R C 2.529 178.779 176.300 -0.084 0.000 1.133 653 R CA 1.766 57.818 56.100 -0.080 0.000 0.935 653 R CB -1.019 29.241 30.300 -0.067 0.000 0.853 653 R HN 0.288 nan 8.270 nan 0.000 0.433 654 A N 0.753 123.453 122.820 -0.199 0.000 2.178 654 A HA 0.007 4.327 4.320 -0.000 0.000 0.218 654 A C 1.161 178.744 177.584 -0.002 0.000 1.157 654 A CA 0.575 52.517 52.037 -0.159 0.000 0.689 654 A CB -0.598 18.251 19.000 -0.253 0.000 0.787 654 A HN 0.458 nan 8.150 nan 0.000 0.465 655 F N 0.327 120.177 119.950 -0.167 0.000 2.980 655 F HA 0.153 4.680 4.527 -0.000 0.000 0.299 655 F C 1.326 177.104 175.800 -0.038 0.000 1.211 655 F CA 0.031 57.965 58.000 -0.110 0.000 1.328 655 F CB 0.374 39.310 39.000 -0.107 0.000 1.154 655 F HN 0.373 nan 8.300 nan 0.000 0.528 656 S N -2.947 112.836 115.700 0.138 0.000 2.615 656 S HA 0.058 4.528 4.470 -0.000 0.000 0.277 656 S C 0.910 175.543 174.600 0.056 0.000 1.068 656 S CA -0.449 57.799 58.200 0.080 0.000 1.315 656 S CB 0.218 63.450 63.200 0.053 0.000 1.193 656 S HN 0.089 nan 8.310 nan 0.000 0.656 657 Q N 2.583 122.422 119.800 0.066 0.000 1.893 657 Q HA 0.227 4.567 4.340 -0.000 0.000 0.752 657 Q C 1.684 177.713 176.000 0.049 0.000 0.969 657 Q CA 0.450 56.284 55.803 0.051 0.000 0.742 657 Q CB -0.660 28.111 28.738 0.055 0.000 3.246 657 Q HN 0.517 nan 8.270 nan 0.000 0.230 658 I N -0.064 120.539 120.570 0.055 0.000 3.327 658 I HA -0.199 3.971 4.170 -0.000 0.000 0.338 658 I C -0.481 175.653 176.117 0.028 0.000 1.140 658 I CA 0.996 62.324 61.300 0.045 0.000 1.273 658 I CB -2.370 35.666 38.000 0.060 0.000 1.022 658 I HN 0.166 nan 8.210 nan 0.000 0.641 659 K N 1.559 121.972 120.400 0.021 0.000 2.640 659 K HA 0.174 4.494 4.320 -0.000 0.000 0.245 659 K C 0.853 177.451 176.600 -0.004 0.000 0.962 659 K CA -0.412 55.868 56.287 -0.013 0.000 0.896 659 K CB 1.568 34.034 32.500 -0.058 0.000 1.147 659 K HN -0.025 nan 8.250 nan 0.000 0.445 660 D N 1.749 122.143 120.400 -0.009 0.000 2.190 660 D HA -0.167 4.473 4.640 -0.000 0.000 0.200 660 D C 0.099 176.397 176.300 -0.004 0.000 0.992 660 D CA 1.013 55.010 54.000 -0.005 0.000 0.854 660 D CB 0.262 41.056 40.800 -0.009 0.000 0.936 660 D HN 0.393 nan 8.370 nan 0.000 0.462 661 A N 0.353 123.165 122.820 -0.013 0.000 2.320 661 A HA 0.598 4.918 4.320 -0.000 0.000 0.334 661 A C 0.616 178.203 177.584 0.005 0.000 1.147 661 A CA -0.744 51.290 52.037 -0.006 0.000 0.820 661 A CB 0.773 19.762 19.000 -0.017 0.000 1.218 661 A HN 0.342 nan 8.150 nan 0.000 0.482 662 M N 1.980 121.605 119.600 0.042 0.000 2.303 662 M HA 0.429 4.909 4.480 -0.000 0.000 0.350 662 M C -1.031 175.298 176.300 0.048 0.000 1.518 662 M CA 0.349 55.713 55.300 0.106 0.000 1.070 662 M CB -0.299 32.422 32.600 0.203 0.000 1.910 662 M HN 0.264 nan 8.290 nan 0.000 0.458 663 V N 5.863 125.806 119.914 0.049 0.000 3.193 663 V HA 0.909 5.029 4.120 -0.000 0.000 0.320 663 V C -0.404 175.781 176.094 0.152 0.000 1.112 663 V CA -0.252 61.985 62.300 -0.105 0.000 1.026 663 V CB 2.045 33.678 31.823 -0.317 0.000 1.128 663 V HN 1.035 nan 8.190 nan 0.000 0.452 664 F N -0.484 119.483 119.950 0.028 0.000 2.919 664 F HA 0.737 5.264 4.527 -0.000 0.000 0.330 664 F C -0.860 175.026 175.800 0.144 0.000 1.136 664 F CA -0.796 57.275 58.000 0.117 0.000 0.901 664 F CB 0.353 39.340 39.000 -0.020 0.000 1.321 664 F HN 0.694 nan 8.300 nan 0.000 0.449 665 A N 1.640 124.767 122.820 0.511 0.000 2.384 665 A HA 1.015 5.335 4.320 -0.000 0.000 0.312 665 A C -1.262 176.695 177.584 0.621 0.000 1.113 665 A CA -0.676 51.719 52.037 0.598 0.000 0.779 665 A CB 1.635 21.141 19.000 0.842 0.000 1.307 665 A HN 1.681 nan 8.150 nan 0.000 0.436 666 F N -0.934 119.281 119.950 0.443 0.000 2.744 666 F HA 0.532 5.059 4.527 -0.000 0.000 0.311 666 F C -1.080 174.897 175.800 0.295 0.000 1.144 666 F CA -1.302 56.865 58.000 0.279 0.000 0.938 666 F CB 1.189 40.355 39.000 0.277 0.000 1.292 666 F HN 0.508 nan 8.300 nan 0.000 0.444 667 N N 2.778 121.597 118.700 0.199 0.000 2.444 667 N HA 0.387 5.127 4.740 -0.000 0.000 0.271 667 N C -0.619 174.799 175.510 -0.154 0.000 1.069 667 N CA -0.707 52.377 53.050 0.058 0.000 0.965 667 N CB 1.140 39.656 38.487 0.048 0.000 1.092 667 N HN 0.791 nan 8.380 nan 0.000 0.476 668 L N 2.191 123.274 121.223 -0.233 0.000 2.615 668 L HA 0.312 4.652 4.340 -0.000 0.000 0.284 668 L C -1.960 174.862 176.870 -0.079 0.000 1.237 668 L CA -1.414 53.306 54.840 -0.200 0.000 0.905 668 L CB -0.432 41.587 42.059 -0.067 0.000 1.149 668 L HN 0.394 nan 8.230 nan 0.000 0.499 669 P HA 0.127 nan 4.420 nan 0.000 0.270 669 P C -0.029 177.255 177.300 -0.026 0.000 1.242 669 P CA -0.041 63.048 63.100 -0.018 0.000 0.768 669 P CB 0.943 32.649 31.700 0.011 0.000 0.820 670 A N 4.830 127.619 122.820 -0.052 0.000 2.507 670 A HA 0.156 4.476 4.320 -0.000 0.000 0.235 670 A C 1.293 178.761 177.584 -0.193 0.000 1.070 670 A CA -0.082 51.889 52.037 -0.110 0.000 0.768 670 A CB -0.955 17.973 19.000 -0.119 0.000 1.011 670 A HN 0.676 nan 8.150 nan 0.000 0.502 671 I N -1.601 118.752 120.570 -0.362 0.000 6.045 671 I HA -0.208 3.962 4.170 -0.000 0.000 0.133 671 I C -0.204 175.905 176.117 -0.012 0.000 1.812 671 I CA 0.181 61.284 61.300 -0.329 0.000 2.105 671 I CB -2.251 35.376 38.000 -0.622 0.000 3.414 671 I HN 0.238 nan 8.210 nan 0.000 0.192 672 V N 1.896 121.824 119.914 0.023 0.000 2.462 672 V HA 0.265 4.385 4.120 -0.000 0.000 0.288 672 V C 0.446 176.569 176.094 0.049 0.000 1.020 672 V CA -0.474 61.866 62.300 0.066 0.000 0.857 672 V CB 1.957 33.831 31.823 0.085 0.000 1.013 672 V HN 0.105 nan 8.190 nan 0.000 0.431 673 E N 5.763 125.995 120.200 0.052 0.000 1.972 673 E HA 0.253 4.603 4.350 -0.000 0.000 0.292 673 E C 0.953 177.572 176.600 0.032 0.000 1.193 673 E CA -0.102 56.325 56.400 0.044 0.000 1.228 673 E CB 0.127 29.856 29.700 0.049 0.000 1.167 673 E HN 0.700 nan 8.360 nan 0.000 0.479 674 L N 0.362 121.601 121.223 0.027 0.000 4.111 674 L HA -0.368 3.972 4.340 -0.000 0.000 0.428 674 L C 1.647 178.514 176.870 -0.005 0.000 1.149 674 L CA 0.427 55.280 54.840 0.021 0.000 0.981 674 L CB -1.610 40.470 42.059 0.035 0.000 1.914 674 L HN 0.560 nan 8.230 nan 0.000 1.016 675 G N 0.039 108.823 108.800 -0.027 0.000 2.783 675 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.225 675 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.225 675 G C 0.818 175.620 174.900 -0.162 0.000 1.191 675 G CA 1.816 46.837 45.100 -0.132 0.000 0.774 675 G HN 0.468 nan 8.290 nan 0.000 0.632 676 T N -0.257 114.239 114.554 -0.096 0.000 3.823 676 T HA 0.572 4.922 4.350 -0.000 0.000 0.261 676 T C 0.741 175.437 174.700 -0.008 0.000 0.983 676 T CA 0.176 62.239 62.100 -0.062 0.000 1.151 676 T CB 1.062 69.892 68.868 -0.064 0.000 1.062 676 T HN 0.511 nan 8.240 nan 0.000 0.542 677 A N 1.742 124.565 122.820 0.004 0.000 2.223 677 A HA 0.419 4.739 4.320 -0.000 0.000 0.222 677 A C 0.994 178.579 177.584 0.001 0.000 1.317 677 A CA -0.185 51.864 52.037 0.021 0.000 0.985 677 A CB -1.195 17.832 19.000 0.046 0.000 0.858 677 A HN 0.706 nan 8.150 nan 0.000 0.496 678 T N -2.467 112.074 114.554 -0.021 0.000 0.541 678 T HA 0.273 4.623 4.350 -0.000 0.000 0.774 678 T C 0.850 175.484 174.700 -0.110 0.000 0.992 678 T CA 1.068 63.137 62.100 -0.052 0.000 4.077 678 T CB -1.192 67.649 68.868 -0.046 0.000 2.303 678 T HN 2.527 nan 8.240 nan 0.000 0.398 679 G N 1.508 110.210 108.800 -0.164 0.000 2.549 679 G HA2 0.394 4.354 3.960 -0.000 0.000 0.404 679 G HA3 0.394 4.354 3.960 -0.000 0.000 0.404 679 G C -0.720 174.040 174.900 -0.234 0.000 1.292 679 G CA -0.080 44.770 45.100 -0.416 0.000 0.935 679 G HN 1.784 nan 8.290 nan 0.000 0.512 680 F N -1.646 118.363 119.950 0.097 0.000 2.746 680 F HA 0.878 5.405 4.527 -0.000 0.000 0.378 680 F C -0.239 175.703 175.800 0.236 0.000 1.165 680 F CA -1.306 56.816 58.000 0.203 0.000 1.089 680 F CB 1.285 40.487 39.000 0.337 0.000 1.439 680 F HN 0.352 nan 8.300 nan 0.000 0.516 681 D N 0.064 120.884 120.400 0.700 0.000 2.330 681 D HA 0.195 4.835 4.640 -0.000 0.000 0.249 681 D C -1.806 174.609 176.300 0.192 0.000 1.306 681 D CA -0.000 54.211 54.000 0.352 0.000 0.956 681 D CB 0.811 41.705 40.800 0.156 0.000 1.261 681 D HN 0.474 nan 8.370 nan 0.000 0.544 682 F N 2.891 122.768 119.950 -0.123 0.000 2.359 682 F HA 0.305 4.832 4.527 -0.000 0.000 0.355 682 F C 0.201 175.787 175.800 -0.355 0.000 1.132 682 F CA -0.695 57.005 58.000 -0.500 0.000 1.246 682 F CB 0.275 38.975 39.000 -0.499 0.000 1.569 682 F HN -0.030 nan 8.300 nan 0.000 0.561 683 E N 4.284 124.160 120.200 -0.541 0.000 2.480 683 E HA -0.013 4.337 4.350 -0.000 0.000 0.258 683 E C -0.622 175.519 176.600 -0.765 0.000 0.984 683 E CA 0.004 56.071 56.400 -0.555 0.000 0.930 683 E CB 1.032 30.385 29.700 -0.578 0.000 0.936 683 E HN 0.471 nan 8.360 nan 0.000 0.466 684 L N 5.774 126.628 121.223 -0.615 0.000 2.262 684 L HA 0.303 4.642 4.340 -0.000 0.000 0.288 684 L C -0.904 175.790 176.870 -0.294 0.000 1.035 684 L CA -0.763 53.722 54.840 -0.591 0.000 0.820 684 L CB 0.442 42.265 42.059 -0.394 0.000 1.204 684 L HN 0.256 nan 8.230 nan 0.000 0.424 685 I N 4.001 124.437 120.570 -0.223 0.000 2.385 685 I HA 0.217 4.387 4.170 -0.000 0.000 0.294 685 I C 0.108 176.178 176.117 -0.078 0.000 0.988 685 I CA -0.428 60.803 61.300 -0.115 0.000 1.265 685 I CB 1.338 39.281 38.000 -0.095 0.000 1.388 685 I HN 0.594 nan 8.210 nan 0.000 0.480 686 D N 4.813 125.182 120.400 -0.051 0.000 2.435 686 D HA 0.086 4.726 4.640 -0.000 0.000 0.230 686 D C 0.716 176.999 176.300 -0.029 0.000 1.215 686 D CA -0.037 53.941 54.000 -0.036 0.000 0.947 686 D CB 0.597 41.383 40.800 -0.022 0.000 1.048 686 D HN 0.300 nan 8.370 nan 0.000 0.512 687 Q N 1.800 121.581 119.800 -0.031 0.000 2.436 687 Q HA 0.134 4.474 4.340 -0.000 0.000 0.209 687 Q C -0.165 175.823 176.000 -0.020 0.000 0.965 687 Q CA 0.393 56.179 55.803 -0.029 0.000 0.910 687 Q CB 0.518 29.236 28.738 -0.033 0.000 0.980 687 Q HN 0.549 nan 8.270 nan 0.000 0.491 688 A N -1.662 121.149 122.820 -0.015 0.000 2.589 688 A HA 0.558 4.878 4.320 -0.000 0.000 0.296 688 A C 0.571 178.150 177.584 -0.007 0.000 1.062 688 A CA -0.223 51.808 52.037 -0.010 0.000 0.686 688 A CB 0.655 19.649 19.000 -0.009 0.000 1.282 688 A HN 0.067 nan 8.150 nan 0.000 0.404 689 G N 0.982 109.780 108.800 -0.004 0.000 3.644 689 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.198 689 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.198 689 G C 0.956 175.857 174.900 0.002 0.000 1.183 689 G CA 1.156 46.255 45.100 -0.000 0.000 0.867 689 G HN 0.725 nan 8.290 nan 0.000 0.621 690 L N -0.137 121.085 121.223 -0.002 0.000 1.951 690 L HA 0.101 4.441 4.340 -0.000 0.000 0.222 690 L C 1.688 178.560 176.870 0.004 0.000 1.078 690 L CA 1.632 56.470 54.840 -0.003 0.000 0.778 690 L CB -0.932 41.119 42.059 -0.013 0.000 0.893 690 L HN 0.595 nan 8.230 nan 0.000 0.436 691 G N -3.563 105.243 108.800 0.010 0.000 2.362 691 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.656 691 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.656 691 G C -0.232 174.693 174.900 0.042 0.000 1.376 691 G CA -0.052 45.070 45.100 0.036 0.000 0.971 691 G HN 0.307 nan 8.290 nan 0.000 0.636 692 H N 0.230 119.296 119.070 -0.006 0.000 2.353 692 H HA -0.091 4.465 4.556 -0.000 0.000 0.298 692 H C 2.314 177.636 175.328 -0.009 0.000 1.103 692 H CA 3.074 59.117 56.048 -0.008 0.000 1.293 692 H CB 0.215 29.975 29.762 -0.003 0.000 1.372 692 H HN 0.540 nan 8.280 nan 0.000 0.501 693 E N 0.845 121.037 120.200 -0.014 0.000 2.000 693 E HA -0.157 4.193 4.350 -0.000 0.000 0.199 693 E C 2.223 178.758 176.600 -0.108 0.000 1.011 693 E CA 1.472 57.839 56.400 -0.055 0.000 0.836 693 E CB -0.167 29.545 29.700 0.019 0.000 0.778 693 E HN 0.427 nan 8.360 nan 0.000 0.462 694 K N 0.004 120.369 120.400 -0.059 0.000 2.107 694 K HA -0.193 4.127 4.320 -0.000 0.000 0.211 694 K C 1.887 178.433 176.600 -0.090 0.000 1.049 694 K CA 1.279 57.532 56.287 -0.055 0.000 0.927 694 K CB -0.385 32.097 32.500 -0.030 0.000 0.714 694 K HN 0.208 nan 8.250 nan 0.000 0.452 695 L N 1.252 122.397 121.223 -0.131 0.000 2.529 695 L HA 0.017 4.357 4.340 -0.000 0.000 0.223 695 L C 1.415 178.175 176.870 -0.182 0.000 1.113 695 L CA 1.132 55.893 54.840 -0.131 0.000 0.861 695 L CB -0.717 41.276 42.059 -0.110 0.000 1.012 695 L HN 0.057 nan 8.230 nan 0.000 0.461 696 T N 1.382 115.771 114.554 -0.275 0.000 2.577 696 T HA -0.240 4.110 4.350 -0.000 0.000 0.241 696 T C 1.563 176.183 174.700 -0.133 0.000 1.163 696 T CA 1.991 63.945 62.100 -0.243 0.000 1.401 696 T CB -0.363 68.334 68.868 -0.285 0.000 0.956 696 T HN 0.568 nan 8.240 nan 0.000 0.397 697 Q N 1.300 121.033 119.800 -0.111 0.000 2.452 697 Q HA -0.245 4.095 4.340 -0.000 0.000 0.218 697 Q C 1.883 177.853 176.000 -0.051 0.000 0.999 697 Q CA 1.960 57.722 55.803 -0.068 0.000 0.938 697 Q CB -0.474 28.232 28.738 -0.055 0.000 0.925 697 Q HN 0.512 nan 8.270 nan 0.000 0.446 698 A N 1.168 123.954 122.820 -0.057 0.000 1.903 698 A HA -0.053 4.267 4.320 -0.000 0.000 0.213 698 A C 2.047 179.615 177.584 -0.026 0.000 1.185 698 A CA 0.873 52.888 52.037 -0.036 0.000 0.628 698 A CB -0.485 18.493 19.000 -0.037 0.000 0.830 698 A HN 0.568 nan 8.150 nan 0.000 0.446 699 R N 0.356 120.832 120.500 -0.039 0.000 2.177 699 R HA -0.233 4.107 4.340 -0.000 0.000 0.221 699 R C 1.616 177.909 176.300 -0.013 0.000 1.110 699 R CA 2.264 58.352 56.100 -0.019 0.000 0.875 699 R CB -0.959 29.319 30.300 -0.037 0.000 0.810 699 R HN 0.328 nan 8.270 nan 0.000 0.437 700 N N 0.501 119.186 118.700 -0.024 0.000 1.766 700 N HA -0.371 4.369 4.740 -0.000 0.000 0.130 700 N C 1.683 177.186 175.510 -0.012 0.000 0.518 700 N CA 2.788 55.826 53.050 -0.020 0.000 0.812 700 N CB -0.992 37.476 38.487 -0.031 0.000 0.765 700 N HN 0.608 nan 8.380 nan 0.000 1.327 701 Q N -0.048 119.745 119.800 -0.012 0.000 2.077 701 Q HA -0.103 4.237 4.340 -0.000 0.000 0.206 701 Q C 2.326 178.321 176.000 -0.009 0.000 0.989 701 Q CA 1.276 57.074 55.803 -0.008 0.000 0.853 701 Q CB -0.378 28.355 28.738 -0.007 0.000 0.907 701 Q HN 0.492 nan 8.270 nan 0.000 0.418 702 L N 0.726 121.944 121.223 -0.008 0.000 2.127 702 L HA -0.188 4.152 4.340 -0.000 0.000 0.211 702 L C 2.012 178.865 176.870 -0.028 0.000 1.089 702 L CA 0.958 55.785 54.840 -0.023 0.000 0.757 702 L CB -0.008 42.063 42.059 0.020 0.000 0.899 702 L HN 0.228 nan 8.230 nan 0.000 0.434 703 L N -1.149 120.071 121.223 -0.005 0.000 2.313 703 L HA -0.012 4.328 4.340 -0.000 0.000 0.214 703 L C 2.693 179.564 176.870 0.002 0.000 1.119 703 L CA 0.648 55.489 54.840 0.001 0.000 0.809 703 L CB -0.757 41.309 42.059 0.011 0.000 0.933 703 L HN 0.203 nan 8.230 nan 0.000 0.449 704 A N 0.730 123.550 122.820 0.001 0.000 1.855 704 A HA -0.179 4.141 4.320 -0.000 0.000 0.215 704 A C 2.239 179.835 177.584 0.020 0.000 1.191 704 A CA 1.604 53.645 52.037 0.006 0.000 0.613 704 A CB -0.343 18.658 19.000 0.002 0.000 0.829 704 A HN 0.458 nan 8.150 nan 0.000 0.442 705 E N -0.184 120.029 120.200 0.022 0.000 2.046 705 E HA 0.043 4.393 4.350 -0.000 0.000 0.190 705 E C 2.227 178.880 176.600 0.089 0.000 0.982 705 E CA 0.645 57.086 56.400 0.068 0.000 0.800 705 E CB -0.441 29.292 29.700 0.055 0.000 0.756 705 E HN 0.539 nan 8.360 nan 0.000 0.449 706 A N 2.013 124.830 122.820 -0.004 0.000 1.971 706 A HA -0.392 3.928 4.320 -0.000 0.000 0.231 706 A C 2.428 180.041 177.584 0.048 0.000 1.546 706 A CA 2.808 54.835 52.037 -0.017 0.000 0.716 706 A CB -1.204 17.784 19.000 -0.020 0.000 0.839 706 A HN 0.386 nan 8.150 nan 0.000 0.513 707 A N -1.064 121.788 122.820 0.054 0.000 1.897 707 A HA -0.085 4.235 4.320 -0.000 0.000 0.215 707 A C 1.946 179.570 177.584 0.067 0.000 1.181 707 A CA 1.574 53.642 52.037 0.053 0.000 0.620 707 A CB -0.453 18.564 19.000 0.027 0.000 0.821 707 A HN 0.608 nan 8.150 nan 0.000 0.443 708 K N -0.414 120.037 120.400 0.085 0.000 2.293 708 K HA -0.176 4.144 4.320 -0.000 0.000 0.204 708 K C -0.081 176.433 176.600 -0.144 0.000 1.045 708 K CA 1.258 57.534 56.287 -0.018 0.000 0.933 708 K CB -0.341 32.150 32.500 -0.014 0.000 0.736 708 K HN 0.682 nan 8.250 nan 0.000 0.463 709 H N -0.350 118.707 119.070 -0.021 0.000 2.355 709 H HA 0.123 4.679 4.556 -0.000 0.000 0.232 709 H C -1.887 173.434 175.328 -0.013 0.000 1.422 709 H CA -1.433 54.603 56.048 -0.020 0.000 1.261 709 H CB 0.961 30.706 29.762 -0.030 0.000 1.595 709 H HN 0.104 nan 8.280 nan 0.000 0.529 710 P HA -0.127 nan 4.420 nan 0.000 0.221 710 P C 1.013 178.333 177.300 0.034 0.000 1.155 710 P CA 0.903 64.030 63.100 0.045 0.000 0.812 710 P CB 0.491 32.202 31.700 0.018 0.000 0.801 711 D N 1.403 121.817 120.400 0.023 0.000 2.549 711 D HA -0.315 4.325 4.640 -0.000 0.000 0.199 711 D C 1.800 178.120 176.300 0.034 0.000 1.034 711 D CA 1.864 55.876 54.000 0.020 0.000 0.880 711 D CB -1.588 39.219 40.800 0.013 0.000 1.044 711 D HN -0.077 nan 8.370 nan 0.000 0.469 712 M N -0.575 119.060 119.600 0.058 0.000 2.588 712 M HA -0.078 4.402 4.480 -0.000 0.000 0.252 712 M C -0.106 176.221 176.300 0.045 0.000 1.100 712 M CA 0.633 55.966 55.300 0.056 0.000 1.019 712 M CB -0.708 31.938 32.600 0.078 0.000 1.360 712 M HN 0.391 nan 8.290 nan 0.000 0.466 713 L N 1.970 123.217 121.223 0.038 0.000 3.389 713 L HA -0.247 4.093 4.340 -0.000 0.000 0.644 713 L C -0.484 176.418 176.870 0.053 0.000 1.039 713 L CA 1.085 55.944 54.840 0.032 0.000 1.211 713 L CB -2.491 39.579 42.059 0.018 0.000 1.459 713 L HN 0.562 nan 8.230 nan 0.000 0.785 714 T N 0.616 115.204 114.554 0.057 0.000 2.883 714 T HA 0.581 4.931 4.350 -0.000 0.000 0.296 714 T C 0.143 174.873 174.700 0.049 0.000 1.117 714 T CA -0.038 62.119 62.100 0.095 0.000 1.006 714 T CB 2.400 71.337 68.868 0.114 0.000 1.191 714 T HN 0.358 nan 8.240 nan 0.000 0.508 715 S N 1.340 117.069 115.700 0.048 0.000 2.593 715 S HA 0.347 4.817 4.470 -0.000 0.000 0.178 715 S C -0.256 174.366 174.600 0.037 0.000 1.114 715 S CA -0.368 57.839 58.200 0.013 0.000 1.199 715 S CB -0.061 63.116 63.200 -0.038 0.000 1.564 715 S HN 0.523 nan 8.310 nan 0.000 0.407 716 V N 3.293 123.265 119.914 0.096 0.000 3.051 716 V HA 0.668 4.788 4.120 -0.000 0.000 0.306 716 V C 0.297 176.442 176.094 0.085 0.000 1.083 716 V CA 0.311 62.698 62.300 0.145 0.000 1.104 716 V CB 1.250 33.158 31.823 0.142 0.000 1.027 716 V HN 0.771 nan 8.190 nan 0.000 0.483 717 R N 4.300 124.858 120.500 0.097 0.000 3.513 717 R HA 0.282 4.622 4.340 -0.000 0.000 0.243 717 R C -3.366 172.975 176.300 0.069 0.000 1.033 717 R CA -1.055 55.084 56.100 0.064 0.000 1.083 717 R CB 1.577 31.902 30.300 0.041 0.000 1.246 717 R HN 0.462 nan 8.270 nan 0.000 0.526 718 P HA 0.141 nan 4.420 nan 0.000 0.277 718 P C -0.945 176.388 177.300 0.054 0.000 1.276 718 P CA -0.501 62.629 63.100 0.049 0.000 0.788 718 P CB 0.404 32.124 31.700 0.033 0.000 1.114 719 N N -0.662 118.067 118.700 0.049 0.000 2.602 719 N HA 0.264 5.004 4.740 -0.000 0.000 0.238 719 N C 0.855 176.396 175.510 0.052 0.000 1.084 719 N CA -0.044 53.038 53.050 0.054 0.000 0.952 719 N CB -0.681 37.837 38.487 0.051 0.000 1.244 719 N HN 0.529 nan 8.380 nan 0.000 0.512 720 G N 1.530 110.364 108.800 0.056 0.000 2.023 720 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.273 720 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.273 720 G C 0.709 175.636 174.900 0.045 0.000 0.590 720 G CA 0.403 45.532 45.100 0.048 0.000 1.292 720 G HN 0.688 nan 8.290 nan 0.000 0.445 721 L N -0.640 120.611 121.223 0.047 0.000 2.685 721 L HA 0.327 4.667 4.340 -0.000 0.000 0.233 721 L C 0.586 177.488 176.870 0.053 0.000 1.173 721 L CA -0.438 54.435 54.840 0.055 0.000 0.961 721 L CB 0.040 42.145 42.059 0.076 0.000 1.217 721 L HN 0.071 nan 8.230 nan 0.000 0.478 722 E N 1.726 121.946 120.200 0.034 0.000 2.568 722 E HA -0.067 4.283 4.350 -0.000 0.000 0.262 722 E C -0.264 176.342 176.600 0.010 0.000 0.961 722 E CA 0.414 56.821 56.400 0.013 0.000 0.945 722 E CB 0.233 29.933 29.700 0.001 0.000 0.924 722 E HN 0.285 nan 8.360 nan 0.000 0.467 723 D N 1.042 121.425 120.400 -0.027 0.000 2.378 723 D HA 0.103 4.743 4.640 -0.000 0.000 0.238 723 D C -0.154 176.148 176.300 0.004 0.000 1.180 723 D CA 0.669 54.658 54.000 -0.019 0.000 0.895 723 D CB 0.714 41.462 40.800 -0.088 0.000 1.192 723 D HN 0.130 nan 8.370 nan 0.000 0.438 724 T N 1.008 115.660 114.554 0.164 0.000 2.952 724 T HA 0.323 4.673 4.350 -0.000 0.000 0.305 724 T C -2.684 172.275 174.700 0.433 0.000 1.064 724 T CA -1.427 60.839 62.100 0.277 0.000 1.008 724 T CB 1.764 70.722 68.868 0.150 0.000 1.078 724 T HN 0.036 nan 8.240 nan 0.000 0.459 725 P HA -0.015 nan 4.420 nan 0.000 0.257 725 P C -0.751 176.725 177.300 0.293 0.000 1.153 725 P CA 0.614 63.816 63.100 0.172 0.000 0.762 725 P CB 0.269 32.010 31.700 0.069 0.000 0.743 726 Q N 1.709 121.683 119.800 0.290 0.000 2.397 726 Q HA 0.465 4.805 4.340 -0.000 0.000 0.275 726 Q C -1.267 174.811 176.000 0.130 0.000 1.090 726 Q CA -0.825 55.080 55.803 0.171 0.000 0.809 726 Q CB 1.768 30.556 28.738 0.084 0.000 1.362 726 Q HN 0.220 nan 8.270 nan 0.000 0.431 727 F N 2.933 122.625 119.950 -0.430 0.000 2.375 727 F HA 0.304 4.831 4.527 -0.000 0.000 0.362 727 F C 0.319 175.784 175.800 -0.559 0.000 1.129 727 F CA -0.525 56.911 58.000 -0.939 0.000 1.154 727 F CB 0.408 38.673 39.000 -1.225 0.000 1.205 727 F HN 0.385 nan 8.300 nan 0.000 0.513 728 K N 4.280 124.351 120.400 -0.549 0.000 2.188 728 K HA 0.327 4.647 4.320 -0.000 0.000 0.246 728 K C -0.569 175.521 176.600 -0.850 0.000 1.026 728 K CA 0.147 56.108 56.287 -0.543 0.000 0.871 728 K CB 0.329 32.594 32.500 -0.391 0.000 1.042 728 K HN 0.708 nan 8.250 nan 0.000 0.509 729 I N 2.547 122.775 120.570 -0.570 0.000 2.816 729 I HA -0.019 4.151 4.170 -0.000 0.000 0.279 729 I C -1.205 174.726 176.117 -0.310 0.000 1.662 729 I CA -0.367 60.603 61.300 -0.550 0.000 0.785 729 I CB 1.096 38.747 38.000 -0.582 0.000 1.738 729 I HN 0.736 nan 8.210 nan 0.000 0.561 730 D N 4.826 125.073 120.400 -0.255 0.000 2.357 730 D HA 0.036 4.676 4.640 -0.000 0.000 0.265 730 D C 0.269 176.533 176.300 -0.060 0.000 1.334 730 D CA -0.011 53.905 54.000 -0.141 0.000 0.984 730 D CB 0.765 41.490 40.800 -0.124 0.000 1.077 730 D HN 0.129 nan 8.370 nan 0.000 0.514 731 I N 3.720 124.288 120.570 -0.003 0.000 2.664 731 I HA -0.103 4.067 4.170 -0.000 0.000 0.284 731 I C 0.842 177.025 176.117 0.110 0.000 1.154 731 I CA -0.131 61.236 61.300 0.112 0.000 1.402 731 I CB 0.176 38.271 38.000 0.158 0.000 1.395 731 I HN 0.321 nan 8.210 nan 0.000 0.545 732 D N 6.149 126.637 120.400 0.146 0.000 2.348 732 D HA -0.009 4.631 4.640 -0.000 0.000 0.259 732 D C 1.031 177.399 176.300 0.115 0.000 1.296 732 D CA 0.058 54.124 54.000 0.110 0.000 0.931 732 D CB 0.767 41.626 40.800 0.098 0.000 1.067 732 D HN 0.435 nan 8.370 nan 0.000 0.503 733 Q N 3.093 122.932 119.800 0.065 0.000 2.062 733 Q HA -0.227 4.113 4.340 -0.000 0.000 0.209 733 Q C 1.387 177.403 176.000 0.026 0.000 0.996 733 Q CA 1.827 57.652 55.803 0.036 0.000 0.859 733 Q CB 0.126 28.876 28.738 0.019 0.000 0.920 733 Q HN 0.604 nan 8.270 nan 0.000 0.415 734 E N 0.141 120.359 120.200 0.029 0.000 2.054 734 E HA -0.312 4.038 4.350 -0.000 0.000 0.225 734 E C 1.809 178.433 176.600 0.040 0.000 1.048 734 E CA 1.901 58.318 56.400 0.028 0.000 0.899 734 E CB -0.333 29.384 29.700 0.028 0.000 0.801 734 E HN 0.311 nan 8.360 nan 0.000 0.495 735 K N 0.017 120.461 120.400 0.073 0.000 2.304 735 K HA -0.219 4.101 4.320 -0.000 0.000 0.204 735 K C 1.973 178.644 176.600 0.117 0.000 1.044 735 K CA 1.180 57.534 56.287 0.111 0.000 0.932 735 K CB -0.197 32.402 32.500 0.165 0.000 0.735 735 K HN 0.190 nan 8.250 nan 0.000 0.468 736 A N 1.613 124.468 122.820 0.058 0.000 1.943 736 A HA -0.122 4.198 4.320 -0.000 0.000 0.213 736 A C 1.992 179.512 177.584 -0.107 0.000 1.181 736 A CA 0.571 52.535 52.037 -0.122 0.000 0.653 736 A CB -0.124 18.702 19.000 -0.290 0.000 0.833 736 A HN 0.437 nan 8.150 nan 0.000 0.451 737 Q N -0.812 118.957 119.800 -0.053 0.000 2.403 737 Q HA 0.345 4.685 4.340 -0.000 0.000 0.203 737 Q C 1.644 177.630 176.000 -0.024 0.000 0.932 737 Q CA 0.728 56.505 55.803 -0.044 0.000 0.945 737 Q CB -0.158 28.561 28.738 -0.031 0.000 1.045 737 Q HN 0.438 nan 8.270 nan 0.000 0.511 738 A N 1.809 124.624 122.820 -0.009 0.000 1.872 738 A HA 0.022 4.342 4.320 -0.000 0.000 0.214 738 A C 1.739 179.324 177.584 0.001 0.000 1.187 738 A CA 0.756 52.796 52.037 0.006 0.000 0.614 738 A CB -0.230 18.787 19.000 0.027 0.000 0.826 738 A HN 0.370 nan 8.150 nan 0.000 0.442 739 L N -0.457 120.764 121.223 -0.003 0.000 2.928 739 L HA 0.326 4.666 4.340 -0.000 0.000 0.246 739 L C 1.256 178.106 176.870 -0.034 0.000 1.239 739 L CA 0.160 54.999 54.840 -0.002 0.000 1.035 739 L CB -0.148 41.931 42.059 0.034 0.000 1.360 739 L HN 0.454 nan 8.230 nan 0.000 0.529 740 G N 1.304 110.078 108.800 -0.044 0.000 2.450 740 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.302 740 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.302 740 G C 0.317 175.167 174.900 -0.083 0.000 0.957 740 G CA 0.559 45.625 45.100 -0.055 0.000 1.005 740 G HN 0.280 nan 8.290 nan 0.000 0.514 741 V N -0.918 118.910 119.914 -0.143 0.000 2.649 741 V HA 0.705 4.825 4.120 -0.000 0.000 0.292 741 V C 0.838 176.820 176.094 -0.186 0.000 1.055 741 V CA -0.503 61.673 62.300 -0.206 0.000 1.023 741 V CB 1.553 33.119 31.823 -0.428 0.000 0.992 741 V HN 0.956 nan 8.190 nan 0.000 0.480 742 S N 3.181 118.797 115.700 -0.140 0.000 2.452 742 S HA 0.470 4.940 4.470 -0.000 0.000 0.284 742 S C 0.825 175.357 174.600 -0.113 0.000 1.171 742 S CA -0.685 57.454 58.200 -0.102 0.000 1.064 742 S CB 0.736 63.898 63.200 -0.062 0.000 0.967 742 S HN 0.570 nan 8.310 nan 0.000 0.484 743 I N 2.421 122.932 120.570 -0.098 0.000 2.576 743 I HA -0.443 3.727 4.170 -0.000 0.000 0.221 743 I C 2.446 178.543 176.117 -0.034 0.000 0.924 743 I CA 1.931 63.191 61.300 -0.066 0.000 1.228 743 I CB -1.361 36.620 38.000 -0.032 0.000 0.939 743 I HN 0.635 nan 8.210 nan 0.000 0.375 744 N N 0.291 118.980 118.700 -0.018 0.000 2.268 744 N HA -0.311 4.429 4.740 -0.000 0.000 0.180 744 N C 1.516 177.031 175.510 0.009 0.000 0.826 744 N CA 2.476 55.524 53.050 -0.003 0.000 0.913 744 N CB -0.778 37.703 38.487 -0.011 0.000 1.033 744 N HN 0.611 nan 8.380 nan 0.000 0.919 745 D N 0.052 120.446 120.400 -0.010 0.000 2.162 745 D HA 0.013 4.653 4.640 -0.000 0.000 0.203 745 D C 2.164 178.482 176.300 0.031 0.000 0.967 745 D CA 0.666 54.667 54.000 0.003 0.000 0.840 745 D CB 0.136 40.917 40.800 -0.032 0.000 0.972 745 D HN 0.365 nan 8.370 nan 0.000 0.482 746 I N 1.238 121.806 120.570 -0.002 0.000 2.113 746 I HA -0.269 3.901 4.170 -0.000 0.000 0.238 746 I C 2.021 178.269 176.117 0.220 0.000 1.070 746 I CA 0.824 62.170 61.300 0.077 0.000 1.332 746 I CB -0.887 37.139 38.000 0.043 0.000 1.044 746 I HN -0.140 nan 8.210 nan 0.000 0.402 747 N N 1.252 120.040 118.700 0.147 0.000 2.150 747 N HA -0.244 4.496 4.740 -0.000 0.000 0.196 747 N C 1.788 177.365 175.510 0.112 0.000 0.982 747 N CA 2.750 55.869 53.050 0.115 0.000 0.896 747 N CB -1.195 37.331 38.487 0.065 0.000 1.077 747 N HN 0.349 nan 8.380 nan 0.000 0.621 748 T N 0.138 114.746 114.554 0.089 0.000 2.833 748 T HA -0.085 4.265 4.350 -0.000 0.000 0.269 748 T C 1.835 176.595 174.700 0.101 0.000 1.054 748 T CA 1.570 63.715 62.100 0.075 0.000 1.135 748 T CB -0.535 68.366 68.868 0.055 0.000 0.869 748 T HN 0.362 nan 8.240 nan 0.000 0.466 749 T N 2.637 117.282 114.554 0.153 0.000 2.569 749 T HA -0.032 4.318 4.350 -0.000 0.000 0.263 749 T C 1.896 176.700 174.700 0.173 0.000 1.074 749 T CA 0.840 63.069 62.100 0.214 0.000 1.176 749 T CB -0.672 68.388 68.868 0.320 0.000 0.863 749 T HN 0.179 nan 8.240 nan 0.000 0.410 750 L N 0.291 121.671 121.223 0.263 0.000 2.040 750 L HA -0.193 4.147 4.340 -0.000 0.000 0.228 750 L C 1.642 178.606 176.870 0.156 0.000 1.092 750 L CA 1.916 56.854 54.840 0.164 0.000 0.805 750 L CB -0.689 41.409 42.059 0.066 0.000 0.905 750 L HN 0.489 nan 8.230 nan 0.000 0.443 751 G N -2.570 106.286 108.800 0.094 0.000 5.001 751 G HA2 0.490 4.450 3.960 -0.000 0.000 0.304 751 G HA3 0.490 4.450 3.960 -0.000 0.000 0.304 751 G C 0.187 175.128 174.900 0.068 0.000 1.400 751 G CA 0.359 45.512 45.100 0.088 0.000 1.029 751 G HN 0.442 nan 8.290 nan 0.000 0.584 752 A N -0.375 122.463 122.820 0.031 0.000 2.469 752 A HA 0.714 5.034 4.320 -0.000 0.000 0.245 752 A C 1.741 179.303 177.584 -0.037 0.000 1.221 752 A CA 1.062 53.116 52.037 0.028 0.000 0.946 752 A CB 0.457 19.477 19.000 0.033 0.000 1.049 752 A HN 0.765 nan 8.150 nan 0.000 0.529 753 A N -2.013 120.728 122.820 -0.133 0.000 2.127 753 A HA 0.338 4.658 4.320 -0.000 0.000 0.204 753 A C 1.212 178.528 177.584 -0.447 0.000 1.243 753 A CA 0.273 52.039 52.037 -0.452 0.000 0.887 753 A CB -0.225 18.135 19.000 -1.066 0.000 0.933 753 A HN 0.586 nan 8.150 nan 0.000 0.479 754 W N -0.789 120.362 121.300 -0.249 0.000 2.714 754 W HA 0.460 5.120 4.660 -0.000 0.000 0.353 754 W C 0.766 177.239 176.519 -0.076 0.000 0.999 754 W CA 0.354 57.597 57.345 -0.170 0.000 1.629 754 W CB 1.033 30.361 29.460 -0.221 0.000 1.106 754 W HN 0.430 nan 8.180 nan 0.000 0.545 755 G N -0.146 108.745 108.800 0.152 0.000 2.690 755 G HA2 0.514 4.474 3.960 -0.000 0.000 0.291 755 G HA3 0.514 4.474 3.960 -0.000 0.000 0.291 755 G C -0.692 174.288 174.900 0.133 0.000 1.403 755 G CA -0.319 44.858 45.100 0.129 0.000 0.864 755 G HN -0.016 nan 8.290 nan 0.000 0.480 756 G N -1.122 107.795 108.800 0.194 0.000 2.537 756 G HA2 0.543 4.503 3.960 -0.000 0.000 0.297 756 G HA3 0.543 4.503 3.960 -0.000 0.000 0.297 756 G C -0.561 174.513 174.900 0.290 0.000 1.310 756 G CA -0.209 45.040 45.100 0.248 0.000 1.027 756 G HN 1.079 nan 8.290 nan 0.000 0.505 757 S N -0.771 115.099 115.700 0.284 0.000 2.736 757 S HA 0.458 4.928 4.470 -0.000 0.000 0.285 757 S C -0.935 173.660 174.600 -0.009 0.000 1.163 757 S CA -0.753 57.535 58.200 0.146 0.000 1.025 757 S CB 0.206 63.394 63.200 -0.021 0.000 1.030 757 S HN 0.536 nan 8.310 nan 0.000 0.486 758 Y N 3.736 123.678 120.300 -0.596 0.000 2.496 758 Y HA 0.404 4.954 4.550 -0.000 0.000 0.334 758 Y C 1.327 176.958 175.900 -0.450 0.000 1.080 758 Y CA -1.198 56.234 58.100 -1.114 0.000 1.355 758 Y CB -0.130 37.565 38.460 -1.275 0.000 1.193 758 Y HN 0.344 nan 8.280 nan 0.000 0.523 759 V N 1.960 121.726 119.914 -0.247 0.000 2.344 759 V HA -0.040 4.080 4.120 -0.000 0.000 0.198 759 V C 0.545 176.583 176.094 -0.093 0.000 1.042 759 V CA 0.917 63.110 62.300 -0.179 0.000 1.150 759 V CB -0.621 31.133 31.823 -0.115 0.000 0.716 759 V HN 0.885 nan 8.190 nan 0.000 0.472 760 N N 0.170 118.872 118.700 0.004 0.000 3.245 760 N HA 0.295 5.035 4.740 -0.000 0.000 0.333 760 N C -1.463 174.104 175.510 0.094 0.000 1.403 760 N CA -0.521 52.551 53.050 0.037 0.000 0.648 760 N CB -0.252 38.257 38.487 0.037 0.000 1.572 760 N HN 0.450 nan 8.380 nan 0.000 0.516 761 D N -0.368 120.093 120.400 0.103 0.000 2.471 761 D HA 0.269 4.909 4.640 -0.000 0.000 0.245 761 D C -0.839 175.560 176.300 0.164 0.000 1.116 761 D CA -0.412 53.636 54.000 0.080 0.000 0.853 761 D CB 0.764 41.553 40.800 -0.018 0.000 1.123 761 D HN 0.445 nan 8.370 nan 0.000 0.540 762 F N 0.823 120.889 119.950 0.194 0.000 2.375 762 F HA 0.528 5.055 4.527 -0.000 0.000 0.313 762 F C -0.225 175.659 175.800 0.140 0.000 1.176 762 F CA -0.902 57.237 58.000 0.232 0.000 1.142 762 F CB 0.497 39.763 39.000 0.444 0.000 1.275 762 F HN 0.158 nan 8.300 nan 0.000 0.544 763 I N 2.638 123.299 120.570 0.151 0.000 2.304 763 I HA 0.125 4.295 4.170 -0.000 0.000 0.291 763 I C -0.454 175.876 176.117 0.354 0.000 1.018 763 I CA -0.562 60.689 61.300 -0.082 0.000 1.260 763 I CB 0.521 38.545 38.000 0.041 0.000 1.390 763 I HN 0.503 nan 8.210 nan 0.000 0.475 764 D N 7.736 128.271 120.400 0.225 0.000 2.383 764 D HA 0.023 4.663 4.640 -0.000 0.000 0.252 764 D C 0.389 176.789 176.300 0.166 0.000 1.166 764 D CA -0.177 54.049 54.000 0.376 0.000 0.879 764 D CB 0.757 41.735 40.800 0.297 0.000 1.164 764 D HN 0.407 nan 8.370 nan 0.000 0.462 765 R N 2.368 122.969 120.500 0.169 0.000 1.830 765 R HA -0.202 4.138 4.340 -0.000 0.000 0.199 765 R C 0.748 177.077 176.300 0.049 0.000 0.627 765 R CA 0.752 56.910 56.100 0.097 0.000 0.432 765 R CB -2.600 27.759 30.300 0.098 0.000 1.536 765 R HN 0.755 nan 8.270 nan 0.000 0.561 766 G N 0.608 109.430 108.800 0.037 0.000 2.258 766 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.274 766 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.274 766 G C 0.113 174.995 174.900 -0.030 0.000 1.021 766 G CA 0.677 45.777 45.100 0.001 0.000 0.798 766 G HN 0.790 nan 8.290 nan 0.000 0.507 767 R N 0.338 120.809 120.500 -0.048 0.000 2.721 767 R HA 0.415 4.755 4.340 -0.000 0.000 0.272 767 R C 0.392 176.614 176.300 -0.130 0.000 1.721 767 R CA -0.441 55.616 56.100 -0.072 0.000 1.325 767 R CB 0.717 30.984 30.300 -0.054 0.000 1.271 767 R HN 0.145 nan 8.270 nan 0.000 0.556 768 V N 3.470 123.305 119.914 -0.131 0.000 3.239 768 V HA -0.070 4.050 4.120 -0.000 0.000 0.297 768 V C 0.312 176.272 176.094 -0.223 0.000 1.206 768 V CA 0.956 63.151 62.300 -0.176 0.000 1.325 768 V CB 0.426 32.185 31.823 -0.107 0.000 0.981 768 V HN 0.554 nan 8.190 nan 0.000 0.513 769 K N 2.556 122.783 120.400 -0.288 0.000 2.575 769 K HA 0.160 4.480 4.320 -0.000 0.000 0.271 769 K C -1.093 175.401 176.600 -0.176 0.000 1.013 769 K CA -0.835 55.246 56.287 -0.343 0.000 0.939 769 K CB 1.345 33.386 32.500 -0.766 0.000 1.328 769 K HN 0.530 nan 8.250 nan 0.000 0.450 770 K N 1.655 122.067 120.400 0.020 0.000 2.550 770 K HA 0.075 4.395 4.320 -0.000 0.000 0.280 770 K C -0.073 176.710 176.600 0.305 0.000 0.987 770 K CA 0.265 56.644 56.287 0.153 0.000 1.048 770 K CB 0.412 33.035 32.500 0.204 0.000 0.879 770 K HN 0.297 nan 8.250 nan 0.000 0.491 771 V N 4.954 125.011 119.914 0.239 0.000 2.623 771 V HA 0.373 4.493 4.120 -0.000 0.000 0.304 771 V C -1.216 174.923 176.094 0.074 0.000 1.054 771 V CA -0.867 61.531 62.300 0.163 0.000 0.882 771 V CB 1.300 33.179 31.823 0.094 0.000 1.002 771 V HN 0.634 nan 8.190 nan 0.000 0.424 772 Y N 2.647 122.905 120.300 -0.070 0.000 2.504 772 Y HA 0.713 5.263 4.550 -0.000 0.000 0.344 772 Y C -0.261 175.523 175.900 -0.193 0.000 1.023 772 Y CA -1.043 57.020 58.100 -0.063 0.000 1.020 772 Y CB 2.590 41.016 38.460 -0.056 0.000 1.282 772 Y HN 0.523 nan 8.280 nan 0.000 0.454 773 V N 2.661 122.610 119.914 0.058 0.000 2.487 773 V HA 0.845 4.965 4.120 -0.000 0.000 0.298 773 V C -0.626 175.448 176.094 -0.033 0.000 1.028 773 V CA -0.611 61.664 62.300 -0.042 0.000 0.860 773 V CB 1.571 33.388 31.823 -0.010 0.000 0.991 773 V HN 0.917 nan 8.190 nan 0.000 0.427 774 M N 3.428 122.959 119.600 -0.116 0.000 3.147 774 M HA 0.537 5.017 4.480 -0.000 0.000 0.276 774 M C -1.158 175.124 176.300 -0.029 0.000 1.211 774 M CA -0.297 54.961 55.300 -0.069 0.000 0.820 774 M CB 1.837 34.408 32.600 -0.048 0.000 1.621 774 M HN 0.799 nan 8.290 nan 0.000 0.507 775 S N 1.606 117.283 115.700 -0.039 0.000 2.510 775 S HA 0.137 4.607 4.470 -0.000 0.000 0.279 775 S C -0.053 174.626 174.600 0.133 0.000 1.284 775 S CA 0.131 58.371 58.200 0.066 0.000 1.059 775 S CB 0.127 63.270 63.200 -0.095 0.000 0.901 775 S HN 0.666 nan 8.310 nan 0.000 0.491 776 E N 2.869 123.150 120.200 0.136 0.000 2.556 776 E HA -0.079 4.271 4.350 -0.000 0.000 0.273 776 E C 1.310 177.818 176.600 -0.152 0.000 1.123 776 E CA 0.593 56.993 56.400 0.000 0.000 1.033 776 E CB 0.220 29.709 29.700 -0.352 0.000 1.025 776 E HN 0.782 nan 8.360 nan 0.000 0.465 777 A N 3.188 125.864 122.820 -0.240 0.000 1.873 777 A HA -0.219 4.101 4.320 -0.000 0.000 0.215 777 A C 1.686 179.156 177.584 -0.190 0.000 1.186 777 A CA 2.062 53.978 52.037 -0.203 0.000 0.616 777 A CB -0.467 18.380 19.000 -0.256 0.000 0.823 777 A HN 0.680 nan 8.150 nan 0.000 0.442 778 K N -1.200 119.012 120.400 -0.314 0.000 2.439 778 K HA -0.056 4.264 4.320 -0.000 0.000 0.197 778 K C 0.382 177.153 176.600 0.286 0.000 1.041 778 K CA 1.154 57.408 56.287 -0.055 0.000 0.970 778 K CB -0.336 32.194 32.500 0.050 0.000 0.773 778 K HN 0.717 nan 8.250 nan 0.000 0.479 779 Y N 1.699 121.989 120.300 -0.017 0.000 2.720 779 Y HA 0.278 4.828 4.550 -0.000 0.000 0.277 779 Y C 0.728 176.560 175.900 -0.113 0.000 1.144 779 Y CA -1.027 57.082 58.100 0.015 0.000 1.221 779 Y CB 0.363 38.881 38.460 0.097 0.000 1.163 779 Y HN 0.104 nan 8.280 nan 0.000 0.537 780 R N -0.706 119.708 120.500 -0.144 0.000 2.592 780 R HA 0.226 4.566 4.340 -0.000 0.000 0.439 780 R C 0.263 176.638 176.300 0.125 0.000 0.995 780 R CA 0.001 55.718 56.100 -0.639 0.000 1.141 780 R CB -0.255 29.471 30.300 -0.957 0.000 1.495 780 R HN 0.254 nan 8.270 nan 0.000 0.579 781 M N 0.471 120.188 119.600 0.196 0.000 2.545 781 M HA 0.300 4.780 4.480 -0.000 0.000 0.264 781 M C 0.525 176.953 176.300 0.212 0.000 1.155 781 M CA 0.686 56.112 55.300 0.209 0.000 1.162 781 M CB -0.171 32.495 32.600 0.109 0.000 1.330 781 M HN 0.068 nan 8.290 nan 0.000 0.479 782 L N -0.955 120.394 121.223 0.210 0.000 2.303 782 L HA 0.431 4.771 4.340 -0.000 0.000 0.256 782 L C -2.003 174.933 176.870 0.110 0.000 1.034 782 L CA -1.916 52.990 54.840 0.110 0.000 0.832 782 L CB 0.784 42.879 42.059 0.059 0.000 1.403 782 L HN -0.270 nan 8.230 nan 0.000 0.419 783 P HA -0.001 nan 4.420 nan 0.000 0.245 783 P C 0.480 177.795 177.300 0.024 0.000 1.203 783 P CA 0.364 63.298 63.100 -0.276 0.000 0.792 783 P CB -0.022 30.945 31.700 -1.222 0.000 0.997 784 D N -0.216 120.223 120.400 0.065 0.000 2.265 784 D HA -0.212 4.428 4.640 -0.000 0.000 0.208 784 D C 0.941 177.341 176.300 0.168 0.000 0.977 784 D CA 1.199 55.266 54.000 0.112 0.000 0.871 784 D CB -1.142 39.707 40.800 0.082 0.000 0.925 784 D HN 0.046 nan 8.370 nan 0.000 0.485 785 D N -0.056 120.496 120.400 0.254 0.000 2.310 785 D HA -0.028 4.612 4.640 -0.000 0.000 0.212 785 D C 1.939 178.504 176.300 0.442 0.000 0.965 785 D CA 0.208 54.402 54.000 0.323 0.000 0.879 785 D CB -0.277 40.730 40.800 0.345 0.000 0.921 785 D HN 0.361 nan 8.370 nan 0.000 0.510 786 I N 0.751 121.573 120.570 0.420 0.000 2.300 786 I HA -0.205 3.965 4.170 -0.000 0.000 0.252 786 I C 1.942 178.281 176.117 0.370 0.000 1.119 786 I CA 1.207 62.757 61.300 0.417 0.000 1.384 786 I CB -0.196 37.846 38.000 0.070 0.000 1.062 786 I HN 0.029 nan 8.210 nan 0.000 0.426 787 G N -0.223 108.707 108.800 0.215 0.000 3.340 787 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.240 787 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.240 787 G C 0.236 175.064 174.900 -0.120 0.000 1.327 787 G CA 0.039 45.185 45.100 0.078 0.000 1.170 787 G HN 0.384 nan 8.290 nan 0.000 0.520 788 D N -1.149 119.185 120.400 -0.111 0.000 2.441 788 D HA 0.127 4.767 4.640 -0.000 0.000 0.210 788 D C -0.164 175.678 176.300 -0.764 0.000 1.102 788 D CA -0.281 53.431 54.000 -0.479 0.000 0.840 788 D CB 0.414 40.894 40.800 -0.533 0.000 0.990 788 D HN 0.406 nan 8.370 nan 0.000 0.505 789 W N 0.958 122.122 121.300 -0.227 0.000 2.349 789 W HA 0.516 5.176 4.660 -0.000 0.000 0.309 789 W C -0.417 175.935 176.519 -0.279 0.000 1.083 789 W CA -0.908 56.426 57.345 -0.018 0.000 1.224 789 W CB 0.253 29.941 29.460 0.380 0.000 1.256 789 W HN -0.187 nan 8.180 nan 0.000 0.461 790 Y N 0.574 121.006 120.300 0.220 0.000 2.876 790 Y HA 0.786 5.336 4.550 -0.000 0.000 0.318 790 Y C -0.185 175.762 175.900 0.078 0.000 1.275 790 Y CA -2.048 56.109 58.100 0.096 0.000 1.144 790 Y CB 1.036 39.524 38.460 0.048 0.000 1.376 790 Y HN -0.074 nan 8.280 nan 0.000 0.589 791 V N 1.026 121.070 119.914 0.217 0.000 3.678 791 V HA 0.099 4.219 4.120 -0.000 0.000 0.238 791 V C -0.542 175.578 176.094 0.044 0.000 1.328 791 V CA -1.081 61.270 62.300 0.085 0.000 1.037 791 V CB 0.958 32.754 31.823 -0.045 0.000 0.979 791 V HN 0.678 nan 8.190 nan 0.000 0.487 792 R N 2.021 122.550 120.500 0.048 0.000 2.547 792 R HA 0.270 4.610 4.340 -0.000 0.000 0.269 792 R C 0.451 176.740 176.300 -0.017 0.000 0.968 792 R CA 1.405 57.515 56.100 0.016 0.000 1.101 792 R CB 0.594 30.907 30.300 0.022 0.000 0.898 792 R HN 0.958 nan 8.270 nan 0.000 0.416 793 A N 2.524 125.329 122.820 -0.025 0.000 2.578 793 A HA 0.659 4.979 4.320 -0.000 0.000 0.255 793 A C 0.138 177.705 177.584 -0.029 0.000 1.251 793 A CA 0.068 52.078 52.037 -0.046 0.000 0.882 793 A CB 0.971 19.942 19.000 -0.048 0.000 1.416 793 A HN 0.755 nan 8.150 nan 0.000 0.462 794 A N -0.623 122.179 122.820 -0.030 0.000 2.238 794 A HA 0.196 4.516 4.320 -0.000 0.000 0.210 794 A C 0.838 178.413 177.584 -0.015 0.000 1.179 794 A CA 1.337 53.361 52.037 -0.020 0.000 0.827 794 A CB -0.523 18.464 19.000 -0.022 0.000 0.856 794 A HN 0.738 nan 8.150 nan 0.000 0.488 795 D N -1.769 118.622 120.400 -0.015 0.000 2.336 795 D HA 0.252 4.892 4.640 -0.000 0.000 0.229 795 D C 1.210 177.504 176.300 -0.011 0.000 1.061 795 D CA 0.731 54.724 54.000 -0.012 0.000 0.875 795 D CB -0.542 40.251 40.800 -0.012 0.000 0.904 795 D HN 0.566 nan 8.370 nan 0.000 0.525 796 G N -0.232 108.563 108.800 -0.009 0.000 2.212 796 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.266 796 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.266 796 G C 0.320 175.212 174.900 -0.013 0.000 0.978 796 G CA 0.199 45.295 45.100 -0.007 0.000 0.632 796 G HN 0.523 nan 8.290 nan 0.000 0.537 797 Q N 0.061 119.852 119.800 -0.015 0.000 2.263 797 Q HA 0.437 4.777 4.340 -0.000 0.000 0.289 797 Q C 0.884 176.872 176.000 -0.021 0.000 1.061 797 Q CA -0.005 55.785 55.803 -0.022 0.000 0.927 797 Q CB 0.321 29.050 28.738 -0.014 0.000 1.154 797 Q HN 0.258 nan 8.270 nan 0.000 0.378 798 M N 4.741 124.312 119.600 -0.048 0.000 3.282 798 M HA 0.051 4.531 4.480 -0.000 0.000 0.242 798 M C -1.011 175.288 176.300 -0.002 0.000 1.568 798 M CA 0.065 55.336 55.300 -0.049 0.000 1.668 798 M CB -1.002 31.505 32.600 -0.156 0.000 1.236 798 M HN 0.285 nan 8.290 nan 0.000 0.527 799 V N 5.158 125.116 119.914 0.073 0.000 2.763 799 V HA 0.228 4.348 4.120 -0.000 0.000 0.306 799 V C -2.006 174.297 176.094 0.349 0.000 1.059 799 V CA -0.984 61.417 62.300 0.169 0.000 1.138 799 V CB 0.200 32.117 31.823 0.158 0.000 0.940 799 V HN 0.524 nan 8.190 nan 0.000 0.489 800 P HA 0.440 nan 4.420 nan 0.000 0.304 800 P C 0.422 177.788 177.300 0.110 0.000 1.365 800 P CA -0.790 62.546 63.100 0.393 0.000 0.935 800 P CB 1.259 33.291 31.700 0.553 0.000 1.091 801 F N 0.891 120.802 119.950 -0.066 0.000 2.198 801 F HA -0.407 4.120 4.527 -0.000 0.000 0.263 801 F C 2.313 177.688 175.800 -0.708 0.000 1.113 801 F CA 3.086 60.648 58.000 -0.731 0.000 1.493 801 F CB -2.371 36.488 39.000 -0.234 0.000 0.848 801 F HN 0.327 nan 8.300 nan 0.000 0.488 802 S N -0.550 115.092 115.700 -0.097 0.000 2.547 802 S HA 0.132 4.602 4.470 -0.000 0.000 0.235 802 S C 1.912 176.454 174.600 -0.096 0.000 0.980 802 S CA 0.537 58.685 58.200 -0.087 0.000 0.941 802 S CB -0.689 62.512 63.200 0.002 0.000 0.763 802 S HN 0.502 nan 8.310 nan 0.000 0.532 803 A N 1.536 124.298 122.820 -0.096 0.000 2.016 803 A HA 0.256 4.576 4.320 -0.000 0.000 0.217 803 A C 1.525 179.152 177.584 0.071 0.000 1.162 803 A CA 0.727 52.784 52.037 0.033 0.000 0.662 803 A CB -0.545 18.562 19.000 0.178 0.000 0.812 803 A HN 0.740 nan 8.150 nan 0.000 0.450 804 F N -1.753 118.238 119.950 0.068 0.000 2.729 804 F HA 0.458 4.985 4.527 -0.000 0.000 0.315 804 F C 0.378 176.221 175.800 0.072 0.000 1.102 804 F CA -0.203 57.830 58.000 0.055 0.000 1.204 804 F CB -0.327 38.691 39.000 0.031 0.000 1.052 804 F HN 0.034 nan 8.300 nan 0.000 0.551 805 S N 0.135 115.701 115.700 -0.223 0.000 2.971 805 S HA 0.842 5.312 4.470 -0.000 0.000 0.320 805 S C -0.335 174.192 174.600 -0.121 0.000 1.111 805 S CA -0.327 57.802 58.200 -0.117 0.000 0.870 805 S CB 1.308 64.420 63.200 -0.146 0.000 1.331 805 S HN 0.615 nan 8.310 nan 0.000 0.635 806 S N 0.097 115.702 115.700 -0.159 0.000 2.308 806 S HA 0.303 4.773 4.470 -0.000 0.000 0.238 806 S C -0.858 173.586 174.600 -0.261 0.000 0.648 806 S CA -0.481 57.620 58.200 -0.166 0.000 0.814 806 S CB -0.769 62.363 63.200 -0.114 0.000 1.310 806 S HN 1.395 nan 8.310 nan 0.000 0.428 807 S N 2.655 118.128 115.700 -0.379 0.000 2.480 807 S HA 0.802 5.272 4.470 -0.000 0.000 0.286 807 S C 0.163 174.426 174.600 -0.563 0.000 1.180 807 S CA -0.987 56.794 58.200 -0.699 0.000 1.075 807 S CB 0.683 63.061 63.200 -1.370 0.000 0.996 807 S HN 0.933 nan 8.310 nan 0.000 0.487 808 R N 1.616 121.830 120.500 -0.478 0.000 2.643 808 R HA 0.597 4.937 4.340 -0.000 0.000 0.272 808 R C -1.040 175.113 176.300 -0.244 0.000 0.995 808 R CA -0.903 55.066 56.100 -0.218 0.000 1.032 808 R CB 0.465 30.689 30.300 -0.125 0.000 1.126 808 R HN 0.637 nan 8.270 nan 0.000 0.505 809 W N 1.303 122.635 121.300 0.053 0.000 2.079 809 W HA 0.136 4.796 4.660 -0.000 0.000 0.354 809 W C 0.559 177.047 176.519 -0.052 0.000 1.302 809 W CA 0.455 57.825 57.345 0.043 0.000 1.281 809 W CB 0.424 29.870 29.460 -0.024 0.000 1.165 809 W HN 0.703 nan 8.180 nan 0.000 0.603 810 E N -0.395 119.864 120.200 0.098 0.000 2.449 810 E HA 0.366 4.716 4.350 -0.000 0.000 0.278 810 E C -2.056 174.565 176.600 0.036 0.000 1.059 810 E CA -1.132 55.289 56.400 0.035 0.000 0.854 810 E CB 1.395 31.115 29.700 0.032 0.000 1.465 810 E HN 0.465 nan 8.360 nan 0.000 0.462 811 Y N -0.484 119.881 120.300 0.108 0.000 2.341 811 Y HA 0.657 5.207 4.550 -0.000 0.000 0.337 811 Y C 0.404 176.341 175.900 0.061 0.000 1.014 811 Y CA -0.392 57.763 58.100 0.090 0.000 1.111 811 Y CB 2.279 40.788 38.460 0.081 0.000 1.194 811 Y HN 0.725 nan 8.280 nan 0.000 0.462 812 G N 0.866 109.841 108.800 0.291 0.000 2.649 812 G HA2 0.420 4.380 3.960 -0.000 0.000 0.290 812 G HA3 0.420 4.380 3.960 -0.000 0.000 0.290 812 G C -1.810 173.130 174.900 0.066 0.000 1.426 812 G CA -0.851 44.316 45.100 0.111 0.000 0.794 812 G HN 0.485 nan 8.290 nan 0.000 0.483 813 S N -0.247 115.415 115.700 -0.064 0.000 2.482 813 S HA 0.728 5.198 4.470 -0.000 0.000 0.303 813 S C -2.061 172.501 174.600 -0.063 0.000 1.091 813 S CA -1.459 56.691 58.200 -0.083 0.000 1.057 813 S CB 2.531 65.554 63.200 -0.295 0.000 1.031 813 S HN 0.270 nan 8.310 nan 0.000 0.485 814 P HA 0.292 nan 4.420 nan 0.000 0.255 814 P C -0.249 177.049 177.300 -0.003 0.000 1.248 814 P CA 0.118 63.219 63.100 0.003 0.000 0.807 814 P CB 0.080 31.796 31.700 0.027 0.000 1.150 815 R N 0.137 120.629 120.500 -0.012 0.000 2.560 815 R HA 0.426 4.766 4.340 -0.000 0.000 0.267 815 R C -1.754 174.546 176.300 0.000 0.000 1.150 815 R CA -0.393 55.711 56.100 0.007 0.000 0.997 815 R CB 1.293 31.611 30.300 0.031 0.000 1.250 815 R HN 0.048 nan 8.270 nan 0.000 0.433 816 L N 3.214 124.437 121.223 -0.000 0.000 2.372 816 L HA 0.446 4.786 4.340 -0.000 0.000 0.274 816 L C 0.085 176.974 176.870 0.031 0.000 0.988 816 L CA -0.612 54.230 54.840 0.003 0.000 0.833 816 L CB 2.211 44.246 42.059 -0.039 0.000 1.236 816 L HN 0.562 nan 8.230 nan 0.000 0.410 817 E N 3.334 123.566 120.200 0.053 0.000 2.322 817 E HA 0.576 4.926 4.350 -0.000 0.000 0.257 817 E C -0.848 175.776 176.600 0.039 0.000 1.155 817 E CA -0.539 55.886 56.400 0.042 0.000 0.936 817 E CB 1.171 30.893 29.700 0.036 0.000 1.130 817 E HN 0.407 nan 8.360 nan 0.000 0.465 818 R N 1.019 121.546 120.500 0.045 0.000 2.572 818 R HA 0.179 4.519 4.340 -0.000 0.000 0.273 818 R C -1.676 174.676 176.300 0.088 0.000 1.168 818 R CA -0.708 55.417 56.100 0.043 0.000 1.021 818 R CB 0.689 30.998 30.300 0.015 0.000 1.249 818 R HN 0.469 nan 8.270 nan 0.000 0.423 819 Y N 4.594 124.858 120.300 -0.061 0.000 2.841 819 Y HA 0.290 4.840 4.550 -0.000 0.000 0.329 819 Y C -0.129 175.740 175.900 -0.051 0.000 1.062 819 Y CA -0.374 57.681 58.100 -0.075 0.000 1.281 819 Y CB -0.142 38.244 38.460 -0.124 0.000 1.147 819 Y HN 0.722 nan 8.280 nan 0.000 0.521 820 N N 0.977 119.510 118.700 -0.277 0.000 6.884 820 N HA -0.210 4.530 4.740 -0.000 0.000 0.419 820 N C 1.366 176.799 175.510 -0.128 0.000 0.937 820 N CA 0.795 53.686 53.050 -0.266 0.000 1.199 820 N CB -0.993 37.283 38.487 -0.352 0.000 0.842 820 N HN 0.708 nan 8.380 nan 0.000 0.253 821 G N 0.284 109.023 108.800 -0.102 0.000 2.927 821 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.229 821 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.229 821 G C 0.796 175.671 174.900 -0.041 0.000 1.102 821 G CA 2.027 47.091 45.100 -0.059 0.000 0.742 821 G HN 0.443 nan 8.290 nan 0.000 0.652 822 L N 0.489 121.688 121.223 -0.040 0.000 2.331 822 L HA 0.420 4.760 4.340 -0.000 0.000 0.268 822 L C -2.158 174.709 176.870 -0.005 0.000 1.015 822 L CA -2.538 52.290 54.840 -0.021 0.000 0.807 822 L CB 2.128 44.173 42.059 -0.025 0.000 1.293 822 L HN -0.137 nan 8.230 nan 0.000 0.451 823 P HA 0.078 nan 4.420 nan 0.000 0.276 823 P C -0.244 177.063 177.300 0.012 0.000 1.264 823 P CA -0.220 62.889 63.100 0.015 0.000 0.769 823 P CB 1.195 32.912 31.700 0.029 0.000 0.840 824 S N 4.345 120.060 115.700 0.025 0.000 2.688 824 S HA 0.249 4.719 4.470 -0.000 0.000 0.248 824 S C 0.260 174.841 174.600 -0.031 0.000 1.361 824 S CA 0.179 58.386 58.200 0.011 0.000 0.979 824 S CB -0.205 63.016 63.200 0.035 0.000 0.947 824 S HN 0.550 nan 8.310 nan 0.000 0.545 825 M N 0.643 120.203 119.600 -0.067 0.000 2.691 825 M HA 0.122 4.602 4.480 -0.000 0.000 0.126 825 M C -1.493 174.746 176.300 -0.102 0.000 0.875 825 M CA 0.082 55.343 55.300 -0.066 0.000 0.658 825 M CB 0.448 33.008 32.600 -0.067 0.000 2.900 825 M HN 0.883 nan 8.290 nan 0.000 0.314 826 E N 4.367 124.529 120.200 -0.063 0.000 2.223 826 E HA 0.472 4.822 4.350 -0.000 0.000 0.282 826 E C -1.160 175.441 176.600 0.002 0.000 1.046 826 E CA -0.123 56.240 56.400 -0.062 0.000 0.857 826 E CB 0.741 30.417 29.700 -0.041 0.000 1.055 826 E HN 0.600 nan 8.360 nan 0.000 0.409 827 I N 6.163 126.759 120.570 0.042 0.000 2.502 827 I HA 0.229 4.399 4.170 -0.000 0.000 0.276 827 I C -0.370 175.884 176.117 0.228 0.000 1.057 827 I CA -0.674 60.709 61.300 0.139 0.000 1.163 827 I CB 0.581 38.706 38.000 0.209 0.000 1.288 827 I HN 0.470 nan 8.210 nan 0.000 0.479 828 L N 4.747 126.076 121.223 0.176 0.000 2.490 828 L HA 0.857 5.196 4.340 -0.000 0.000 0.245 828 L C 0.932 177.908 176.870 0.178 0.000 1.185 828 L CA 0.752 55.700 54.840 0.181 0.000 0.813 828 L CB 1.131 43.240 42.059 0.083 0.000 1.233 828 L HN 0.765 nan 8.230 nan 0.000 0.489 829 G N -0.269 108.494 108.800 -0.063 0.000 2.591 829 G HA2 0.306 4.266 3.960 -0.000 0.000 0.104 829 G HA3 0.306 4.266 3.960 -0.000 0.000 0.104 829 G C -1.368 172.923 174.900 -1.016 0.000 1.097 829 G CA 0.181 45.085 45.100 -0.326 0.000 1.076 829 G HN 0.813 nan 8.290 nan 0.000 0.485 830 Q N -1.470 117.154 119.800 -1.961 0.000 3.162 830 Q HA 0.401 4.741 4.340 -0.000 0.000 0.176 830 Q C -1.326 174.545 176.000 -0.215 0.000 1.010 830 Q CA 0.444 55.723 55.803 -0.874 0.000 1.048 830 Q CB -0.378 28.119 28.738 -0.401 0.000 2.220 830 Q HN 2.135 nan 8.270 nan 0.000 0.587 831 A N 2.135 124.945 122.820 -0.016 0.000 2.708 831 A HA 0.726 5.046 4.320 -0.000 0.000 0.293 831 A C 0.676 178.271 177.584 0.018 0.000 1.303 831 A CA 0.678 52.764 52.037 0.081 0.000 0.949 831 A CB -0.355 18.729 19.000 0.140 0.000 1.121 831 A HN 1.588 nan 8.150 nan 0.000 0.542 832 A N 1.069 123.878 122.820 -0.020 0.000 2.550 832 A HA 0.077 4.397 4.320 -0.000 0.000 0.242 832 A C -1.970 175.608 177.584 -0.010 0.000 1.541 832 A CA 0.180 52.204 52.037 -0.021 0.000 1.562 832 A CB -0.943 18.041 19.000 -0.026 0.000 1.065 832 A HN 0.442 nan 8.150 nan 0.000 0.475 833 P HA 0.182 nan 4.420 nan 0.000 0.260 833 P C 1.043 178.338 177.300 -0.008 0.000 1.147 833 P CA 1.772 64.864 63.100 -0.013 0.000 0.758 833 P CB -0.056 31.634 31.700 -0.016 0.000 0.744 834 G N 2.578 111.373 108.800 -0.007 0.000 2.061 834 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.059 834 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.059 834 G C -0.437 174.461 174.900 -0.003 0.000 1.013 834 G CA -0.643 44.454 45.100 -0.004 0.000 1.185 834 G HN 0.403 nan 8.290 nan 0.000 0.410 835 K N 0.773 121.174 120.400 0.002 0.000 2.298 835 K HA 0.374 4.694 4.320 -0.000 0.000 0.252 835 K C 0.531 177.130 176.600 -0.002 0.000 1.112 835 K CA 1.078 57.366 56.287 0.001 0.000 0.786 835 K CB -0.632 31.872 32.500 0.007 0.000 1.058 835 K HN 1.430 nan 8.250 nan 0.000 0.519 836 S N -1.990 113.708 115.700 -0.003 0.000 2.619 836 S HA 0.116 4.586 4.470 -0.000 0.000 0.280 836 S C 0.693 175.288 174.600 -0.007 0.000 1.150 836 S CA -0.195 57.998 58.200 -0.011 0.000 0.978 836 S CB 1.348 64.534 63.200 -0.023 0.000 1.041 836 S HN 0.595 nan 8.310 nan 0.000 0.485 837 T N 0.055 114.609 114.554 -0.001 0.000 3.116 837 T HA -0.189 4.161 4.350 -0.000 0.000 0.257 837 T C 1.251 175.934 174.700 -0.028 0.000 1.161 837 T CA 1.931 64.039 62.100 0.013 0.000 1.166 837 T CB -0.903 67.959 68.868 -0.010 0.000 0.732 837 T HN 1.233 nan 8.240 nan 0.000 0.617 838 G N -1.017 107.748 108.800 -0.058 0.000 3.596 838 G HA2 0.298 4.258 3.960 -0.000 0.000 0.274 838 G HA3 0.298 4.258 3.960 -0.000 0.000 0.274 838 G C 1.160 176.012 174.900 -0.080 0.000 1.007 838 G CA -0.143 44.896 45.100 -0.102 0.000 0.825 838 G HN 0.340 nan 8.290 nan 0.000 0.508 839 E N 0.777 120.947 120.200 -0.050 0.000 2.216 839 E HA 0.186 4.536 4.350 -0.000 0.000 0.192 839 E C 2.568 179.132 176.600 -0.060 0.000 0.973 839 E CA 0.748 57.121 56.400 -0.045 0.000 0.851 839 E CB 0.382 30.070 29.700 -0.020 0.000 0.804 839 E HN 0.290 nan 8.360 nan 0.000 0.477 840 A N 1.381 124.179 122.820 -0.037 0.000 1.840 840 A HA -0.137 4.183 4.320 -0.000 0.000 0.214 840 A C 2.258 179.722 177.584 -0.200 0.000 1.198 840 A CA 1.546 53.552 52.037 -0.052 0.000 0.608 840 A CB -0.515 18.591 19.000 0.176 0.000 0.839 840 A HN 0.142 nan 8.150 nan 0.000 0.443 841 M N -0.800 118.701 119.600 -0.166 0.000 2.200 841 M HA -0.212 4.268 4.480 -0.000 0.000 0.261 841 M C 2.161 178.406 176.300 -0.092 0.000 1.074 841 M CA 2.297 57.515 55.300 -0.136 0.000 1.098 841 M CB -1.285 31.053 32.600 -0.437 0.000 1.268 841 M HN 0.662 nan 8.290 nan 0.000 0.432 842 E N 1.230 121.367 120.200 -0.105 0.000 2.164 842 E HA -0.323 4.027 4.350 -0.000 0.000 0.233 842 E C 1.932 178.458 176.600 -0.123 0.000 1.073 842 E CA 2.848 59.203 56.400 -0.075 0.000 0.941 842 E CB -0.584 29.076 29.700 -0.068 0.000 0.820 842 E HN 0.425 nan 8.360 nan 0.000 0.486 843 L N -0.103 121.024 121.223 -0.160 0.000 2.064 843 L HA -0.276 4.064 4.340 -0.000 0.000 0.216 843 L C 2.485 179.173 176.870 -0.304 0.000 1.077 843 L CA 2.677 57.384 54.840 -0.222 0.000 0.766 843 L CB -0.390 41.527 42.059 -0.237 0.000 0.890 843 L HN 0.394 nan 8.230 nan 0.000 0.435 844 M N -0.790 118.576 119.600 -0.389 0.000 2.098 844 M HA -0.146 4.334 4.480 -0.000 0.000 0.262 844 M C 2.204 178.123 176.300 -0.635 0.000 1.072 844 M CA 1.894 56.820 55.300 -0.623 0.000 1.133 844 M CB -0.722 31.311 32.600 -0.944 0.000 1.344 844 M HN 0.369 nan 8.290 nan 0.000 0.414 845 E N 0.354 120.236 120.200 -0.531 0.000 2.108 845 E HA -0.291 4.059 4.350 -0.000 0.000 0.203 845 E C 1.960 178.429 176.600 -0.218 0.000 1.022 845 E CA 1.604 57.730 56.400 -0.456 0.000 0.823 845 E CB -0.442 29.231 29.700 -0.045 0.000 0.744 845 E HN 0.568 nan 8.360 nan 0.000 0.456 846 Q N 0.147 119.850 119.800 -0.162 0.000 1.954 846 Q HA -0.254 4.086 4.340 -0.000 0.000 0.215 846 Q C 2.421 178.354 176.000 -0.111 0.000 1.026 846 Q CA 2.272 58.009 55.803 -0.110 0.000 0.881 846 Q CB -0.513 28.144 28.738 -0.134 0.000 0.977 846 Q HN 0.331 nan 8.270 nan 0.000 0.416 847 L N -1.435 119.682 121.223 -0.176 0.000 2.376 847 L HA 0.134 4.474 4.340 -0.000 0.000 0.219 847 L C 1.806 178.607 176.870 -0.115 0.000 1.133 847 L CA 1.565 56.321 54.840 -0.141 0.000 0.816 847 L CB -0.819 41.132 42.059 -0.180 0.000 0.933 847 L HN 0.031 nan 8.230 nan 0.000 0.449 848 A N -0.067 122.648 122.820 -0.174 0.000 2.268 848 A HA 0.291 4.611 4.320 -0.000 0.000 0.221 848 A C 1.238 178.863 177.584 0.069 0.000 1.287 848 A CA 0.571 52.565 52.037 -0.072 0.000 0.902 848 A CB -0.873 17.990 19.000 -0.229 0.000 0.877 848 A HN 0.498 nan 8.150 nan 0.000 0.487 849 S N -1.552 114.172 115.700 0.040 0.000 2.617 849 S HA 0.358 4.828 4.470 -0.000 0.000 0.237 849 S C 0.417 175.037 174.600 0.033 0.000 1.142 849 S CA -0.670 57.572 58.200 0.071 0.000 1.167 849 S CB 0.272 63.526 63.200 0.090 0.000 1.068 849 S HN 0.297 nan 8.310 nan 0.000 0.470 850 K N 0.708 121.119 120.400 0.019 0.000 2.403 850 K HA 0.377 4.697 4.320 -0.000 0.000 0.199 850 K C 0.286 176.893 176.600 0.012 0.000 1.199 850 K CA 0.093 56.385 56.287 0.009 0.000 0.924 850 K CB -0.330 32.168 32.500 -0.004 0.000 1.137 850 K HN 0.381 nan 8.250 nan 0.000 0.510 851 L N 4.902 126.135 121.223 0.017 0.000 2.499 851 L HA 0.068 4.408 4.340 -0.000 0.000 0.273 851 L C -1.843 175.034 176.870 0.011 0.000 1.195 851 L CA -1.347 53.501 54.840 0.013 0.000 0.882 851 L CB -0.658 41.416 42.059 0.023 0.000 1.133 851 L HN 0.010 nan 8.230 nan 0.000 0.483 852 P HA -0.184 nan 4.420 nan 0.000 0.277 852 P C 0.020 177.322 177.300 0.003 0.000 1.237 852 P CA 0.110 63.211 63.100 0.001 0.000 0.819 852 P CB 0.194 31.891 31.700 -0.005 0.000 0.841 853 T N -0.405 114.150 114.554 0.002 0.000 2.916 853 T HA 0.376 4.726 4.350 -0.000 0.000 0.303 853 T C 1.299 175.998 174.700 -0.001 0.000 1.025 853 T CA 1.245 63.346 62.100 0.003 0.000 1.142 853 T CB -0.838 68.031 68.868 0.002 0.000 0.947 853 T HN 0.801 nan 8.240 nan 0.000 0.544 854 G N 2.965 111.764 108.800 -0.001 0.000 2.159 854 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.256 854 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.256 854 G C 0.232 175.126 174.900 -0.010 0.000 0.977 854 G CA 0.144 45.240 45.100 -0.006 0.000 0.652 854 G HN 0.863 nan 8.290 nan 0.000 0.531 855 V N 0.055 119.966 119.914 -0.005 0.000 3.036 855 V HA 0.858 4.978 4.120 -0.000 0.000 0.308 855 V C 0.988 177.086 176.094 0.005 0.000 1.070 855 V CA 0.750 63.045 62.300 -0.009 0.000 1.056 855 V CB 1.586 33.407 31.823 -0.004 0.000 1.084 855 V HN 1.424 nan 8.190 nan 0.000 0.471 856 G N 0.936 109.734 108.800 -0.004 0.000 2.489 856 G HA2 0.539 4.499 3.960 -0.000 0.000 0.291 856 G HA3 0.539 4.499 3.960 -0.000 0.000 0.291 856 G C -1.651 173.220 174.900 -0.048 0.000 1.487 856 G CA -0.279 44.828 45.100 0.010 0.000 0.795 856 G HN 0.823 nan 8.290 nan 0.000 0.513 857 Y N -0.727 119.465 120.300 -0.180 0.000 3.072 857 Y HA 0.916 5.465 4.550 -0.000 0.000 0.314 857 Y C -0.473 175.239 175.900 -0.313 0.000 1.446 857 Y CA -0.696 57.153 58.100 -0.419 0.000 1.055 857 Y CB 1.749 39.869 38.460 -0.566 0.000 1.365 857 Y HN 0.709 nan 8.280 nan 0.000 0.657 858 D N -1.721 118.569 120.400 -0.183 0.000 3.020 858 D HA 0.064 4.704 4.640 -0.000 0.000 0.268 858 D C -2.095 174.122 176.300 -0.138 0.000 1.078 858 D CA -0.757 53.183 54.000 -0.100 0.000 0.725 858 D CB 0.749 41.535 40.800 -0.024 0.000 1.639 858 D HN 0.654 nan 8.370 nan 0.000 0.455 859 W N 1.287 122.683 121.300 0.160 0.000 2.375 859 W HA 0.509 5.169 4.660 -0.000 0.000 0.336 859 W C 0.243 176.708 176.519 -0.090 0.000 1.160 859 W CA -0.258 57.139 57.345 0.086 0.000 1.266 859 W CB 1.780 31.355 29.460 0.193 0.000 1.195 859 W HN 0.294 nan 8.180 nan 0.000 0.599 860 T N -0.247 114.290 114.554 -0.028 0.000 2.773 860 T HA 0.618 4.968 4.350 -0.000 0.000 0.278 860 T C 0.730 175.415 174.700 -0.024 0.000 1.011 860 T CA -0.024 61.859 62.100 -0.361 0.000 1.014 860 T CB 1.205 69.580 68.868 -0.821 0.000 1.293 860 T HN 0.727 nan 8.240 nan 0.000 0.554 861 G N 1.372 110.157 108.800 -0.025 0.000 2.561 861 G HA2 -0.423 3.537 3.960 -0.000 0.000 0.451 861 G HA3 -0.423 3.537 3.960 -0.000 0.000 0.451 861 G C 1.115 176.121 174.900 0.176 0.000 1.381 861 G CA 1.829 47.016 45.100 0.145 0.000 0.942 861 G HN 1.277 nan 8.290 nan 0.000 0.518 862 M N -1.038 118.635 119.600 0.123 0.000 2.907 862 M HA -0.230 4.250 4.480 -0.000 0.000 0.263 862 M C 1.623 177.995 176.300 0.119 0.000 1.036 862 M CA 3.694 59.053 55.300 0.097 0.000 1.047 862 M CB -0.928 31.707 32.600 0.058 0.000 1.284 862 M HN 0.568 nan 8.290 nan 0.000 0.500 863 S N -0.813 114.985 115.700 0.165 0.000 2.994 863 S HA 0.144 4.614 4.470 -0.000 0.000 0.247 863 S C 0.085 174.785 174.600 0.167 0.000 1.323 863 S CA -0.369 57.870 58.200 0.064 0.000 1.246 863 S CB -0.585 62.596 63.200 -0.032 0.000 0.994 863 S HN 0.649 nan 8.310 nan 0.000 0.484 864 Y N 2.080 122.428 120.300 0.080 0.000 2.740 864 Y HA 0.095 4.645 4.550 -0.000 0.000 0.257 864 Y C 1.876 177.814 175.900 0.063 0.000 1.064 864 Y CA 0.500 58.678 58.100 0.129 0.000 1.351 864 Y CB -0.320 38.268 38.460 0.214 0.000 1.439 864 Y HN 0.214 nan 8.280 nan 0.000 0.488 865 Q N 0.331 120.291 119.800 0.267 0.000 2.389 865 Q HA -0.182 4.158 4.340 -0.000 0.000 0.213 865 Q C 0.769 176.753 176.000 -0.027 0.000 0.989 865 Q CA 1.324 57.177 55.803 0.083 0.000 0.891 865 Q CB -0.108 28.695 28.738 0.108 0.000 0.923 865 Q HN 0.269 nan 8.270 nan 0.000 0.455 866 E N 0.675 120.844 120.200 -0.051 0.000 2.320 866 E HA 0.038 4.388 4.350 -0.000 0.000 0.189 866 E C -0.113 176.391 176.600 -0.160 0.000 1.100 866 E CA 0.135 56.467 56.400 -0.113 0.000 1.009 866 E CB 0.165 29.786 29.700 -0.132 0.000 1.145 866 E HN 0.338 nan 8.360 nan 0.000 0.454 867 R N -0.867 119.543 120.500 -0.149 0.000 2.521 867 R HA 0.330 4.670 4.340 -0.000 0.000 0.436 867 R C 0.189 176.405 176.300 -0.140 0.000 0.917 867 R CA 0.057 56.064 56.100 -0.156 0.000 1.080 867 R CB 0.548 30.738 30.300 -0.185 0.000 1.530 867 R HN -0.047 nan 8.270 nan 0.000 0.596 868 L N -1.017 120.143 121.223 -0.104 0.000 3.317 868 L HA 0.324 4.664 4.340 -0.000 0.000 0.224 868 L C -0.149 176.696 176.870 -0.041 0.000 1.944 868 L CA -0.888 53.910 54.840 -0.070 0.000 1.937 868 L CB 0.037 42.060 42.059 -0.059 0.000 1.936 868 L HN 0.129 nan 8.230 nan 0.000 0.556 869 S N 1.050 116.741 115.700 -0.015 0.000 4.641 869 S HA 0.143 4.613 4.470 -0.000 0.000 0.556 869 S C 0.203 174.785 174.600 -0.030 0.000 0.923 869 S CA 0.613 58.811 58.200 -0.002 0.000 1.147 869 S CB -1.224 61.976 63.200 0.001 0.000 1.458 869 S HN 1.436 nan 8.310 nan 0.000 0.428 870 G N 3.697 112.497 108.800 0.001 0.000 2.720 870 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.207 870 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.207 870 G C -0.406 174.491 174.900 -0.006 0.000 1.068 870 G CA -0.516 44.551 45.100 -0.054 0.000 1.077 870 G HN 0.802 nan 8.290 nan 0.000 0.597 871 N N 2.835 121.600 118.700 0.108 0.000 2.874 871 N HA 0.076 4.816 4.740 -0.000 0.000 0.316 871 N C 1.523 177.086 175.510 0.089 0.000 1.205 871 N CA 0.798 53.909 53.050 0.102 0.000 1.180 871 N CB 0.087 38.649 38.487 0.125 0.000 1.450 871 N HN 0.725 nan 8.380 nan 0.000 0.528 872 Q N 0.187 120.000 119.800 0.021 0.000 2.046 872 Q HA -0.374 3.966 4.340 -0.000 0.000 0.437 872 Q C 0.647 176.627 176.000 -0.033 0.000 0.778 872 Q CA 2.153 57.948 55.803 -0.014 0.000 0.836 872 Q CB -1.307 27.427 28.738 -0.006 0.000 3.591 872 Q HN 0.537 nan 8.270 nan 0.000 0.849 873 A N -2.358 120.418 122.820 -0.073 0.000 3.416 873 A HA 0.068 4.388 4.320 -0.000 0.000 0.198 873 A C -1.833 175.667 177.584 -0.139 0.000 1.377 873 A CA 0.515 52.402 52.037 -0.251 0.000 1.281 873 A CB -0.969 17.824 19.000 -0.344 0.000 0.987 873 A HN 0.465 nan 8.150 nan 0.000 0.424 874 P HA 0.022 nan 4.420 nan 0.000 0.242 874 P C 1.089 178.414 177.300 0.042 0.000 1.197 874 P CA 1.914 65.066 63.100 0.087 0.000 0.765 874 P CB 0.072 31.838 31.700 0.111 0.000 0.936 875 S N -2.172 113.533 115.700 0.008 0.000 2.492 875 S HA 0.120 4.590 4.470 -0.000 0.000 0.218 875 S C 1.714 176.311 174.600 -0.005 0.000 1.016 875 S CA -0.168 58.035 58.200 0.005 0.000 0.916 875 S CB -0.960 62.244 63.200 0.006 0.000 0.791 875 S HN 0.052 nan 8.310 nan 0.000 0.513 876 L N -0.240 120.958 121.223 -0.043 0.000 2.194 876 L HA 0.260 4.600 4.340 -0.000 0.000 0.197 876 L C 2.251 179.125 176.870 0.006 0.000 1.106 876 L CA 0.738 55.539 54.840 -0.066 0.000 0.785 876 L CB -0.517 41.449 42.059 -0.157 0.000 0.960 876 L HN 0.240 nan 8.230 nan 0.000 0.465 877 Y N -0.032 120.272 120.300 0.007 0.000 2.172 877 Y HA -0.443 4.107 4.550 -0.000 0.000 0.280 877 Y C 2.562 178.429 175.900 -0.054 0.000 1.209 877 Y CA 0.539 58.623 58.100 -0.027 0.000 1.171 877 Y CB -0.521 37.934 38.460 -0.008 0.000 0.965 877 Y HN 0.402 nan 8.280 nan 0.000 0.520 878 A N 0.263 123.145 122.820 0.104 0.000 1.948 878 A HA -0.215 4.105 4.320 -0.000 0.000 0.220 878 A C 1.989 179.569 177.584 -0.005 0.000 1.177 878 A CA 1.944 53.993 52.037 0.020 0.000 0.636 878 A CB -0.895 18.107 19.000 0.004 0.000 0.815 878 A HN 0.525 nan 8.150 nan 0.000 0.449 879 I N -1.003 119.568 120.570 0.002 0.000 3.428 879 I HA -0.042 4.128 4.170 -0.000 0.000 0.286 879 I C 2.357 178.459 176.117 -0.025 0.000 1.287 879 I CA 0.954 62.242 61.300 -0.021 0.000 1.396 879 I CB 0.199 38.179 38.000 -0.034 0.000 1.062 879 I HN 0.314 nan 8.210 nan 0.000 0.471 880 S N -0.043 115.658 115.700 0.003 0.000 2.483 880 S HA 0.137 4.607 4.470 -0.000 0.000 0.221 880 S C 1.917 176.486 174.600 -0.051 0.000 1.030 880 S CA 0.138 58.325 58.200 -0.021 0.000 0.925 880 S CB 0.106 63.313 63.200 0.011 0.000 0.795 880 S HN 0.264 nan 8.310 nan 0.000 0.511 881 L N 1.559 122.751 121.223 -0.052 0.000 1.943 881 L HA -0.141 4.199 4.340 -0.000 0.000 0.215 881 L C 2.297 179.143 176.870 -0.040 0.000 1.074 881 L CA 1.774 56.567 54.840 -0.079 0.000 0.759 881 L CB -1.049 40.944 42.059 -0.111 0.000 0.888 881 L HN 0.350 nan 8.230 nan 0.000 0.433 882 I N -0.327 120.222 120.570 -0.035 0.000 2.300 882 I HA -0.292 3.878 4.170 -0.000 0.000 0.252 882 I C 2.270 178.438 176.117 0.085 0.000 1.119 882 I CA 1.198 62.517 61.300 0.031 0.000 1.384 882 I CB -0.315 37.681 38.000 -0.006 0.000 1.062 882 I HN 0.140 nan 8.210 nan 0.000 0.426 883 V N -0.538 119.389 119.914 0.022 0.000 3.354 883 V HA -0.047 4.073 4.120 -0.000 0.000 0.258 883 V C 2.053 178.145 176.094 -0.003 0.000 1.159 883 V CA 0.498 62.801 62.300 0.006 0.000 1.125 883 V CB 0.873 32.676 31.823 -0.033 0.000 0.774 883 V HN 0.186 nan 8.190 nan 0.000 0.464 884 V N -0.129 119.784 119.914 -0.001 0.000 2.302 884 V HA -0.171 3.949 4.120 -0.000 0.000 0.243 884 V C 2.089 178.204 176.094 0.034 0.000 1.036 884 V CA 2.321 64.610 62.300 -0.019 0.000 1.020 884 V CB -0.391 31.399 31.823 -0.056 0.000 0.657 884 V HN 0.618 nan 8.190 nan 0.000 0.453 885 F N 1.020 120.915 119.950 -0.091 0.000 2.011 885 F HA -0.286 4.241 4.527 -0.000 0.000 0.296 885 F C 2.094 177.919 175.800 0.041 0.000 1.144 885 F CA 2.383 60.348 58.000 -0.057 0.000 1.185 885 F CB -0.704 38.209 39.000 -0.145 0.000 0.961 885 F HN 0.079 nan 8.300 nan 0.000 0.485 886 L N 0.393 121.455 121.223 -0.268 0.000 2.123 886 L HA -0.392 3.948 4.340 -0.000 0.000 0.217 886 L C 2.594 179.381 176.870 -0.139 0.000 1.081 886 L CA 1.778 56.466 54.840 -0.253 0.000 0.772 886 L CB -1.496 40.553 42.059 -0.017 0.000 0.890 886 L HN 0.472 nan 8.230 nan 0.000 0.437 887 C N -1.046 118.198 119.300 -0.094 0.000 2.476 887 C HA -0.048 4.412 4.460 -0.000 0.000 0.278 887 C C 2.700 177.603 174.990 -0.146 0.000 1.274 887 C CA -0.121 58.839 59.018 -0.097 0.000 1.713 887 C CB -0.831 26.863 27.740 -0.078 0.000 2.039 887 C HN 0.422 nan 8.230 nan 0.000 0.484 888 L N 1.604 122.739 121.223 -0.147 0.000 1.970 888 L HA -0.192 4.148 4.340 -0.000 0.000 0.212 888 L C 2.998 179.748 176.870 -0.200 0.000 1.071 888 L CA 1.909 56.627 54.840 -0.205 0.000 0.751 888 L CB -0.870 41.146 42.059 -0.071 0.000 0.889 888 L HN 0.347 nan 8.230 nan 0.000 0.432 889 A N -0.329 122.427 122.820 -0.107 0.000 1.978 889 A HA -0.221 4.099 4.320 -0.000 0.000 0.220 889 A C 2.451 179.945 177.584 -0.150 0.000 1.170 889 A CA 1.777 53.770 52.037 -0.074 0.000 0.636 889 A CB -0.728 18.232 19.000 -0.068 0.000 0.810 889 A HN 0.492 nan 8.150 nan 0.000 0.448 890 A N -0.467 122.259 122.820 -0.156 0.000 1.940 890 A HA -0.036 4.284 4.320 -0.000 0.000 0.219 890 A C 2.146 179.653 177.584 -0.128 0.000 1.176 890 A CA 1.760 53.712 52.037 -0.141 0.000 0.631 890 A CB -0.548 18.390 19.000 -0.102 0.000 0.814 890 A HN 0.793 nan 8.150 nan 0.000 0.446 891 L N -1.542 119.583 121.223 -0.163 0.000 2.023 891 L HA -0.047 4.293 4.340 -0.000 0.000 0.205 891 L C 2.042 178.883 176.870 -0.048 0.000 1.073 891 L CA 1.718 56.453 54.840 -0.175 0.000 0.745 891 L CB -0.663 41.191 42.059 -0.342 0.000 0.900 891 L HN 0.488 nan 8.230 nan 0.000 0.435 892 Y N -0.173 120.109 120.300 -0.029 0.000 2.519 892 Y HA -0.059 4.491 4.550 -0.000 0.000 0.311 892 Y C 1.185 177.046 175.900 -0.065 0.000 1.207 892 Y CA 0.088 58.178 58.100 -0.017 0.000 1.289 892 Y CB -0.062 38.410 38.460 0.020 0.000 1.059 892 Y HN 0.390 nan 8.280 nan 0.000 0.507 893 E N 1.063 121.281 120.200 0.030 0.000 2.960 893 E HA -0.297 4.053 4.350 -0.000 0.000 0.268 893 E C -0.259 176.204 176.600 -0.228 0.000 1.104 893 E CA 0.953 57.283 56.400 -0.118 0.000 0.773 893 E CB -1.006 28.636 29.700 -0.098 0.000 1.383 893 E HN 0.208 nan 8.360 nan 0.000 0.451 894 S N -1.268 114.352 115.700 -0.133 0.000 2.478 894 S HA 0.412 4.882 4.470 -0.000 0.000 0.312 894 S C -0.096 174.523 174.600 0.032 0.000 1.094 894 S CA -0.573 57.577 58.200 -0.084 0.000 1.081 894 S CB 0.437 63.668 63.200 0.052 0.000 1.007 894 S HN 0.388 nan 8.310 nan 0.000 0.475 895 W N 3.529 124.801 121.300 -0.047 0.000 3.435 895 W HA 0.176 4.836 4.660 -0.000 0.000 0.303 895 W C 1.240 177.695 176.519 -0.107 0.000 1.297 895 W CA -0.555 56.786 57.345 -0.007 0.000 1.638 895 W CB 0.250 29.706 29.460 -0.007 0.000 1.015 895 W HN 0.698 nan 8.180 nan 0.000 0.760 896 S N -1.275 114.476 115.700 0.084 0.000 3.352 896 S HA -0.034 4.436 4.470 -0.000 0.000 0.242 896 S C 1.332 175.919 174.600 -0.022 0.000 1.075 896 S CA -0.199 57.819 58.200 -0.304 0.000 1.026 896 S CB -0.477 62.398 63.200 -0.541 0.000 1.009 896 S HN 0.117 nan 8.310 nan 0.000 0.429 897 I N 3.696 124.305 120.570 0.065 0.000 2.227 897 I HA -0.201 3.969 4.170 -0.000 0.000 0.250 897 I C -0.765 175.490 176.117 0.230 0.000 1.087 897 I CA 1.621 62.962 61.300 0.070 0.000 1.352 897 I CB -1.621 36.338 38.000 -0.069 0.000 1.043 897 I HN 0.336 nan 8.210 nan 0.000 0.425 898 P HA -0.144 nan 4.420 nan 0.000 0.217 898 P C 1.681 179.205 177.300 0.373 0.000 1.151 898 P CA 1.557 64.915 63.100 0.431 0.000 0.828 898 P CB -0.227 31.708 31.700 0.391 0.000 0.788 899 F N 1.839 121.865 119.950 0.127 0.000 2.323 899 F HA -0.160 4.367 4.527 -0.000 0.000 0.301 899 F C 2.613 178.374 175.800 -0.064 0.000 1.060 899 F CA 1.349 59.377 58.000 0.047 0.000 1.398 899 F CB -1.972 37.088 39.000 0.100 0.000 1.075 899 F HN 0.089 nan 8.300 nan 0.000 0.540 900 S N -0.382 115.366 115.700 0.080 0.000 2.402 900 S HA -0.102 4.368 4.470 -0.000 0.000 0.229 900 S C 1.853 176.395 174.600 -0.096 0.000 1.021 900 S CA 1.359 59.433 58.200 -0.210 0.000 0.974 900 S CB -0.943 61.710 63.200 -0.912 0.000 0.800 900 S HN 0.167 nan 8.310 nan 0.000 0.484 901 V N 1.391 121.324 119.914 0.031 0.000 2.341 901 V HA 0.078 4.198 4.120 -0.000 0.000 0.240 901 V C 2.648 178.749 176.094 0.012 0.000 1.035 901 V CA 1.386 63.747 62.300 0.101 0.000 1.033 901 V CB -1.136 30.779 31.823 0.153 0.000 0.678 901 V HN 0.336 nan 8.190 nan 0.000 0.464 902 M N 0.094 119.680 119.600 -0.023 0.000 2.073 902 M HA -0.196 4.284 4.480 -0.000 0.000 0.258 902 M C 2.294 178.510 176.300 -0.139 0.000 1.070 902 M CA 1.783 57.031 55.300 -0.087 0.000 1.103 902 M CB -0.707 31.819 32.600 -0.123 0.000 1.321 902 M HN 0.234 nan 8.290 nan 0.000 0.405 903 L N 0.709 121.803 121.223 -0.216 0.000 2.256 903 L HA -0.242 4.098 4.340 -0.000 0.000 0.218 903 L C 2.263 178.928 176.870 -0.341 0.000 1.089 903 L CA 1.781 56.385 54.840 -0.392 0.000 0.777 903 L CB -1.181 40.389 42.059 -0.814 0.000 0.890 903 L HN 0.270 nan 8.230 nan 0.000 0.439 904 V N -2.748 117.068 119.914 -0.164 0.000 2.231 904 V HA -0.277 3.843 4.120 -0.000 0.000 0.239 904 V C 2.356 178.445 176.094 -0.008 0.000 1.035 904 V CA 1.549 63.876 62.300 0.046 0.000 0.989 904 V CB -1.278 30.624 31.823 0.131 0.000 0.636 904 V HN 0.147 nan 8.190 nan 0.000 0.457 905 V N 0.238 120.123 119.914 -0.047 0.000 2.456 905 V HA -0.401 3.719 4.120 -0.000 0.000 0.173 905 V C 0.405 176.452 176.094 -0.079 0.000 1.012 905 V CA 3.450 65.697 62.300 -0.088 0.000 1.403 905 V CB -2.623 29.122 31.823 -0.130 0.000 1.101 905 V HN 0.562 nan 8.190 nan 0.000 0.477 906 P HA -0.143 nan 4.420 nan 0.000 0.216 906 P C 1.724 178.999 177.300 -0.041 0.000 1.150 906 P CA 1.641 64.707 63.100 -0.056 0.000 0.843 906 P CB -0.091 31.596 31.700 -0.022 0.000 0.787 907 L N -1.011 120.205 121.223 -0.011 0.000 1.955 907 L HA -0.162 4.178 4.340 -0.000 0.000 0.213 907 L C 2.741 179.583 176.870 -0.047 0.000 1.072 907 L CA 2.233 57.056 54.840 -0.028 0.000 0.755 907 L CB -1.845 40.241 42.059 0.045 0.000 0.888 907 L HN 0.063 nan 8.230 nan 0.000 0.432 908 G N -0.744 108.038 108.800 -0.031 0.000 2.459 908 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.217 908 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.217 908 G C 1.660 176.527 174.900 -0.056 0.000 1.183 908 G CA 0.889 45.965 45.100 -0.041 0.000 0.776 908 G HN 0.177 nan 8.290 nan 0.000 0.552 909 V N 0.750 120.620 119.914 -0.073 0.000 2.353 909 V HA -0.258 3.862 4.120 -0.000 0.000 0.260 909 V C 2.523 178.604 176.094 -0.021 0.000 1.091 909 V CA 2.308 64.559 62.300 -0.081 0.000 1.088 909 V CB -0.167 31.591 31.823 -0.109 0.000 0.672 909 V HN 0.488 nan 8.190 nan 0.000 0.455 910 I N -1.240 119.318 120.570 -0.019 0.000 3.603 910 I HA 0.143 4.313 4.170 -0.000 0.000 0.297 910 I C 1.990 178.106 176.117 -0.002 0.000 1.269 910 I CA 0.799 62.105 61.300 0.009 0.000 1.361 910 I CB -0.182 37.812 38.000 -0.011 0.000 1.063 910 I HN 0.349 nan 8.210 nan 0.000 0.448 911 G N 0.891 109.675 108.800 -0.026 0.000 2.666 911 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.215 911 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.215 911 G C 1.628 176.537 174.900 0.014 0.000 1.294 911 G CA 1.004 46.083 45.100 -0.035 0.000 0.811 911 G HN 0.487 nan 8.290 nan 0.000 0.594 912 A N 0.815 123.656 122.820 0.036 0.000 1.912 912 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 912 A C 2.183 179.993 177.584 0.377 0.000 1.309 912 A CA 1.863 54.001 52.037 0.169 0.000 0.726 912 A CB -1.203 17.768 19.000 -0.047 0.000 0.840 912 A HN 0.529 nan 8.150 nan 0.000 0.473 913 L N -0.746 120.748 121.223 0.451 0.000 3.389 913 L HA -0.174 4.166 4.340 -0.000 0.000 0.259 913 L C 1.594 178.585 176.870 0.203 0.000 1.220 913 L CA 0.809 55.873 54.840 0.375 0.000 0.840 913 L CB -0.681 41.572 42.059 0.323 0.000 1.136 913 L HN 0.629 nan 8.230 nan 0.000 0.466 914 L N -2.819 118.504 121.223 0.167 0.000 3.195 914 L HA 0.303 4.643 4.340 -0.000 0.000 0.290 914 L C 2.027 178.964 176.870 0.113 0.000 1.092 914 L CA 1.186 56.089 54.840 0.105 0.000 1.094 914 L CB -0.074 42.010 42.059 0.042 0.000 1.743 914 L HN -0.079 nan 8.230 nan 0.000 0.579 915 A N 0.140 123.021 122.820 0.101 0.000 2.072 915 A HA 0.379 4.699 4.320 -0.000 0.000 0.216 915 A C 2.226 179.922 177.584 0.187 0.000 1.156 915 A CA 1.148 53.260 52.037 0.125 0.000 0.701 915 A CB -0.634 18.399 19.000 0.056 0.000 0.816 915 A HN 0.491 nan 8.150 nan 0.000 0.458 916 A N 0.437 123.345 122.820 0.146 0.000 1.829 916 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 916 A C 2.376 179.964 177.584 0.005 0.000 1.207 916 A CA 2.738 54.764 52.037 -0.019 0.000 0.622 916 A CB -1.660 17.182 19.000 -0.263 0.000 0.846 916 A HN 0.621 nan 8.150 nan 0.000 0.447 917 T N -2.093 112.484 114.554 0.038 0.000 2.849 917 T HA -0.161 4.189 4.350 -0.000 0.000 0.270 917 T C 1.570 176.337 174.700 0.112 0.000 1.066 917 T CA 1.502 63.634 62.100 0.053 0.000 1.130 917 T CB -0.448 68.455 68.868 0.058 0.000 0.864 917 T HN 0.345 nan 8.240 nan 0.000 0.481 918 F N 2.171 122.113 119.950 -0.013 0.000 2.039 918 F HA 0.240 4.767 4.527 -0.000 0.000 0.294 918 F C 1.268 177.059 175.800 -0.015 0.000 1.130 918 F CA 0.570 58.564 58.000 -0.010 0.000 1.189 918 F CB -0.168 38.831 39.000 -0.001 0.000 0.983 918 F HN -0.083 nan 8.300 nan 0.000 0.471 919 R N 0.513 121.085 120.500 0.121 0.000 2.641 919 R HA 0.282 4.622 4.340 -0.000 0.000 0.269 919 R C 0.018 176.304 176.300 -0.023 0.000 1.074 919 R CA 0.009 56.108 56.100 -0.002 0.000 1.133 919 R CB 0.191 30.535 30.300 0.074 0.000 1.029 919 R HN 0.303 nan 8.270 nan 0.000 0.488 920 G N 4.107 112.879 108.800 -0.046 0.000 2.865 920 G HA2 0.320 4.280 3.960 -0.000 0.000 0.292 920 G HA3 0.320 4.280 3.960 -0.000 0.000 0.292 920 G C -0.705 174.171 174.900 -0.039 0.000 0.800 920 G CA -0.162 44.911 45.100 -0.045 0.000 1.838 920 G HN 0.189 nan 8.290 nan 0.000 0.535 921 L N 0.621 121.810 121.223 -0.056 0.000 2.333 921 L HA 0.618 4.958 4.340 -0.000 0.000 0.263 921 L C 0.373 177.161 176.870 -0.136 0.000 1.014 921 L CA -0.535 54.257 54.840 -0.079 0.000 0.820 921 L CB 2.114 44.126 42.059 -0.078 0.000 1.352 921 L HN 0.370 nan 8.230 nan 0.000 0.421 922 T N -0.472 113.994 114.554 -0.147 0.000 2.876 922 T HA 0.260 4.610 4.350 -0.000 0.000 0.277 922 T C 0.528 175.055 174.700 -0.289 0.000 0.997 922 T CA -0.427 61.569 62.100 -0.173 0.000 0.966 922 T CB 0.906 69.720 68.868 -0.090 0.000 1.312 922 T HN 0.529 nan 8.240 nan 0.000 0.598 923 N N 2.263 120.836 118.700 -0.212 0.000 2.652 923 N HA 0.049 4.789 4.740 -0.000 0.000 0.259 923 N C -0.682 174.858 175.510 0.051 0.000 1.240 923 N CA -0.079 52.886 53.050 -0.142 0.000 0.951 923 N CB -0.575 37.922 38.487 0.018 0.000 1.281 923 N HN 0.475 nan 8.380 nan 0.000 0.507 924 D N -0.174 120.226 120.400 0.001 0.000 2.443 924 D HA -0.106 4.534 4.640 -0.000 0.000 0.234 924 D C 2.045 178.376 176.300 0.051 0.000 1.172 924 D CA 0.018 54.010 54.000 -0.015 0.000 0.878 924 D CB 1.214 41.958 40.800 -0.093 0.000 1.204 924 D HN 0.080 nan 8.370 nan 0.000 0.453 925 V N 1.405 121.260 119.914 -0.099 0.000 2.277 925 V HA -0.339 3.781 4.120 -0.000 0.000 0.253 925 V C 1.607 177.745 176.094 0.074 0.000 1.067 925 V CA 1.443 63.734 62.300 -0.015 0.000 1.047 925 V CB -1.630 29.970 31.823 -0.370 0.000 0.649 925 V HN 0.621 nan 8.190 nan 0.000 0.447 926 Y N -0.862 119.488 120.300 0.083 0.000 2.716 926 Y HA 0.095 4.645 4.550 -0.000 0.000 0.351 926 Y C 1.773 177.742 175.900 0.114 0.000 1.220 926 Y CA 0.631 58.740 58.100 0.015 0.000 1.255 926 Y CB -0.774 37.675 38.460 -0.018 0.000 1.115 926 Y HN 0.350 nan 8.280 nan 0.000 0.484 927 F N 0.096 120.105 119.950 0.098 0.000 2.619 927 F HA 0.073 4.600 4.527 -0.000 0.000 0.281 927 F C 1.664 177.532 175.800 0.113 0.000 1.065 927 F CA 0.255 58.309 58.000 0.092 0.000 1.304 927 F CB 0.206 39.262 39.000 0.092 0.000 1.059 927 F HN -0.119 nan 8.300 nan 0.000 0.648 928 Q N -0.184 119.718 119.800 0.170 0.000 2.269 928 Q HA 0.015 4.355 4.340 -0.000 0.000 0.201 928 Q C 2.138 178.172 176.000 0.055 0.000 0.946 928 Q CA 1.130 56.998 55.803 0.108 0.000 0.877 928 Q CB -0.335 28.599 28.738 0.328 0.000 0.963 928 Q HN 0.276 nan 8.270 nan 0.000 0.472 929 V N -0.124 119.821 119.914 0.052 0.000 2.453 929 V HA -0.092 4.028 4.120 -0.000 0.000 0.247 929 V C 1.803 177.868 176.094 -0.049 0.000 1.048 929 V CA 1.871 64.143 62.300 -0.047 0.000 1.049 929 V CB -0.642 30.936 31.823 -0.410 0.000 0.672 929 V HN 0.474 nan 8.190 nan 0.000 0.457 930 G N -1.198 107.543 108.800 -0.098 0.000 3.124 930 G HA2 0.080 4.040 3.960 -0.000 0.000 0.212 930 G HA3 0.080 4.040 3.960 -0.000 0.000 0.212 930 G C 1.141 175.912 174.900 -0.215 0.000 1.181 930 G CA 0.560 45.586 45.100 -0.122 0.000 0.803 930 G HN 0.489 nan 8.290 nan 0.000 0.529 931 L N -1.537 119.537 121.223 -0.248 0.000 2.694 931 L HA 0.456 4.796 4.340 -0.000 0.000 0.228 931 L C 2.032 178.821 176.870 -0.136 0.000 1.048 931 L CA 0.408 55.079 54.840 -0.282 0.000 0.887 931 L CB 0.018 41.790 42.059 -0.478 0.000 1.265 931 L HN -0.010 nan 8.230 nan 0.000 0.492 932 L N -0.039 121.151 121.223 -0.055 0.000 2.240 932 L HA -0.036 4.304 4.340 -0.000 0.000 0.211 932 L C 2.184 179.146 176.870 0.154 0.000 1.106 932 L CA 1.541 56.370 54.840 -0.018 0.000 0.793 932 L CB -1.007 41.108 42.059 0.093 0.000 0.927 932 L HN 0.338 nan 8.230 nan 0.000 0.446 933 T N -0.986 113.743 114.554 0.291 0.000 2.812 933 T HA -0.124 4.226 4.350 -0.000 0.000 0.264 933 T C 1.861 176.683 174.700 0.203 0.000 1.042 933 T CA 1.554 63.854 62.100 0.333 0.000 1.140 933 T CB -0.155 68.873 68.868 0.265 0.000 0.870 933 T HN 0.271 nan 8.240 nan 0.000 0.445 934 T N 2.706 117.329 114.554 0.115 0.000 2.472 934 T HA -0.063 4.287 4.350 -0.000 0.000 0.249 934 T C 1.881 176.588 174.700 0.011 0.000 1.205 934 T CA 1.176 63.312 62.100 0.062 0.000 1.268 934 T CB -0.612 68.253 68.868 -0.006 0.000 0.872 934 T HN 0.204 nan 8.240 nan 0.000 0.393 935 I N 0.902 121.438 120.570 -0.056 0.000 3.642 935 I HA -0.397 3.773 4.170 -0.000 0.000 0.171 935 I C 2.506 178.563 176.117 -0.100 0.000 0.746 935 I CA 2.358 63.594 61.300 -0.108 0.000 1.031 935 I CB -1.360 36.526 38.000 -0.190 0.000 0.825 935 I HN 0.551 nan 8.210 nan 0.000 0.296 936 G N -0.543 108.182 108.800 -0.124 0.000 2.453 936 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.215 936 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.215 936 G C 1.686 176.571 174.900 -0.025 0.000 1.147 936 G CA 0.384 45.398 45.100 -0.143 0.000 0.802 936 G HN 0.351 nan 8.290 nan 0.000 0.535 937 L N 1.328 122.573 121.223 0.036 0.000 2.005 937 L HA -0.077 4.263 4.340 -0.000 0.000 0.207 937 L C 3.301 180.194 176.870 0.039 0.000 1.072 937 L CA 1.832 56.701 54.840 0.047 0.000 0.744 937 L CB -0.285 41.815 42.059 0.068 0.000 0.895 937 L HN 0.394 nan 8.230 nan 0.000 0.433 938 S N -0.171 115.553 115.700 0.040 0.000 2.402 938 S HA -0.200 4.270 4.470 -0.000 0.000 0.233 938 S C 1.824 176.457 174.600 0.056 0.000 1.030 938 S CA 1.110 59.338 58.200 0.047 0.000 1.003 938 S CB -0.501 62.723 63.200 0.039 0.000 0.813 938 S HN 0.456 nan 8.310 nan 0.000 0.477 939 A N 1.019 123.855 122.820 0.026 0.000 2.238 939 A HA 0.289 4.609 4.320 -0.000 0.000 0.210 939 A C 1.980 179.590 177.584 0.043 0.000 1.179 939 A CA 0.676 52.733 52.037 0.034 0.000 0.827 939 A CB -0.352 18.638 19.000 -0.017 0.000 0.856 939 A HN 0.680 nan 8.150 nan 0.000 0.488 940 K N 1.439 121.860 120.400 0.035 0.000 1.974 940 K HA -0.153 4.167 4.320 -0.000 0.000 0.211 940 K C 1.694 178.332 176.600 0.062 0.000 1.039 940 K CA 1.386 57.698 56.287 0.041 0.000 0.947 940 K CB -0.582 31.935 32.500 0.028 0.000 0.735 940 K HN 0.593 nan 8.250 nan 0.000 0.441 941 N N 1.017 119.745 118.700 0.046 0.000 2.184 941 N HA -0.208 4.532 4.740 -0.000 0.000 0.190 941 N C 1.324 176.881 175.510 0.078 0.000 1.011 941 N CA 1.165 54.235 53.050 0.033 0.000 0.867 941 N CB -0.448 38.048 38.487 0.015 0.000 0.993 941 N HN 0.269 nan 8.380 nan 0.000 0.433 942 A N 0.242 123.140 122.820 0.129 0.000 2.223 942 A HA 0.239 4.559 4.320 -0.000 0.000 0.222 942 A C 1.381 179.131 177.584 0.276 0.000 1.317 942 A CA 0.172 52.341 52.037 0.219 0.000 0.985 942 A CB -0.613 18.525 19.000 0.230 0.000 0.858 942 A HN 0.393 nan 8.150 nan 0.000 0.496 943 I N -2.514 118.203 120.570 0.245 0.000 4.765 943 I HA 0.099 4.269 4.170 -0.000 0.000 0.349 943 I C 1.260 177.573 176.117 0.327 0.000 1.278 943 I CA 0.242 61.742 61.300 0.334 0.000 1.331 943 I CB 0.506 38.616 38.000 0.183 0.000 1.570 943 I HN 0.259 nan 8.210 nan 0.000 0.538 944 L N 0.646 121.979 121.223 0.182 0.000 2.357 944 L HA 0.242 4.582 4.340 -0.000 0.000 0.211 944 L C 1.157 178.024 176.870 -0.005 0.000 1.075 944 L CA 0.536 55.420 54.840 0.073 0.000 0.830 944 L CB 0.175 42.149 42.059 -0.141 0.000 0.996 944 L HN 0.064 nan 8.230 nan 0.000 0.467 945 I N 0.367 120.957 120.570 0.033 0.000 2.293 945 I HA 0.041 4.211 4.170 -0.000 0.000 0.280 945 I C 0.366 176.654 176.117 0.284 0.000 1.075 945 I CA 0.025 61.365 61.300 0.067 0.000 1.702 945 I CB -0.280 37.729 38.000 0.015 0.000 1.477 945 I HN 0.006 nan 8.210 nan 0.000 0.733 946 V N 0.042 120.163 119.914 0.345 0.000 3.071 946 V HA -0.027 4.093 4.120 -0.000 0.000 0.244 946 V C 1.827 178.039 176.094 0.195 0.000 1.644 946 V CA 0.088 62.605 62.300 0.363 0.000 1.090 946 V CB 0.332 32.344 31.823 0.316 0.000 0.981 946 V HN 0.350 nan 8.190 nan 0.000 0.422 947 E N 1.382 121.800 120.200 0.365 0.000 2.007 947 E HA -0.192 4.157 4.350 -0.000 0.000 0.203 947 E C 1.825 178.594 176.600 0.281 0.000 1.020 947 E CA 2.412 59.037 56.400 0.375 0.000 0.845 947 E CB -0.352 29.663 29.700 0.525 0.000 0.779 947 E HN 0.451 nan 8.360 nan 0.000 0.466 948 F N 0.386 120.359 119.950 0.039 0.000 2.202 948 F HA -0.025 4.502 4.527 -0.000 0.000 0.301 948 F C 1.607 177.375 175.800 -0.053 0.000 1.082 948 F CA 1.007 59.003 58.000 -0.007 0.000 1.313 948 F CB -0.849 38.146 39.000 -0.008 0.000 1.024 948 F HN 0.043 nan 8.300 nan 0.000 0.495 949 A N -0.256 122.630 122.820 0.111 0.000 3.118 949 A HA 0.437 4.757 4.320 -0.000 0.000 0.256 949 A C 1.316 178.880 177.584 -0.034 0.000 1.667 949 A CA 0.398 52.398 52.037 -0.062 0.000 1.338 949 A CB -0.524 18.296 19.000 -0.300 0.000 1.127 949 A HN 0.317 nan 8.150 nan 0.000 0.634 950 K N -0.860 119.534 120.400 -0.010 0.000 3.040 950 K HA -0.009 4.311 4.320 -0.000 0.000 0.238 950 K C 0.447 177.032 176.600 -0.025 0.000 2.517 950 K CA 0.880 57.159 56.287 -0.014 0.000 1.524 950 K CB -0.487 32.008 32.500 -0.008 0.000 2.779 950 K HN 0.111 nan 8.250 nan 0.000 0.490 951 D N 1.358 121.735 120.400 -0.038 0.000 2.133 951 D HA -0.112 4.528 4.640 -0.000 0.000 0.195 951 D C 1.677 177.935 176.300 -0.070 0.000 0.997 951 D CA 2.153 56.107 54.000 -0.077 0.000 0.840 951 D CB -0.077 40.624 40.800 -0.164 0.000 0.947 951 D HN 0.459 nan 8.370 nan 0.000 0.452 952 L N -3.019 118.169 121.223 -0.059 0.000 2.558 952 L HA 0.268 4.608 4.340 -0.000 0.000 0.225 952 L C 1.865 178.711 176.870 -0.040 0.000 1.128 952 L CA 0.645 55.457 54.840 -0.047 0.000 0.868 952 L CB -0.292 41.742 42.059 -0.041 0.000 1.006 952 L HN -0.105 nan 8.230 nan 0.000 0.454 953 M N 0.060 119.639 119.600 -0.036 0.000 2.257 953 M HA 0.011 4.491 4.480 -0.000 0.000 0.260 953 M C 1.216 177.500 176.300 -0.026 0.000 1.102 953 M CA 1.420 56.702 55.300 -0.031 0.000 1.169 953 M CB -0.031 32.553 32.600 -0.026 0.000 1.323 953 M HN 0.265 nan 8.290 nan 0.000 0.447 954 D N 0.395 120.780 120.400 -0.026 0.000 2.240 954 D HA 0.010 4.650 4.640 -0.000 0.000 0.206 954 D C 0.131 176.416 176.300 -0.026 0.000 0.963 954 D CA 0.959 54.945 54.000 -0.023 0.000 0.863 954 D CB 0.186 40.975 40.800 -0.019 0.000 0.973 954 D HN 0.267 nan 8.370 nan 0.000 0.501 955 K N 1.204 121.585 120.400 -0.032 0.000 2.602 955 K HA 0.409 4.729 4.320 -0.000 0.000 0.201 955 K C -0.382 176.195 176.600 -0.038 0.000 1.070 955 K CA -0.406 55.860 56.287 -0.034 0.000 1.026 955 K CB 1.358 33.835 32.500 -0.038 0.000 1.534 955 K HN -0.177 nan 8.250 nan 0.000 0.560 956 E N -0.369 119.811 120.200 -0.033 0.000 2.365 956 E HA 0.040 4.390 4.350 -0.000 0.000 0.280 956 E C -0.137 176.446 176.600 -0.029 0.000 1.188 956 E CA -0.343 56.037 56.400 -0.033 0.000 0.931 956 E CB 0.803 30.479 29.700 -0.039 0.000 1.201 956 E HN 0.448 nan 8.360 nan 0.000 0.423 957 G N 1.073 109.857 108.800 -0.028 0.000 2.990 957 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.206 957 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.206 957 G C 0.326 175.210 174.900 -0.026 0.000 1.169 957 G CA 0.753 45.838 45.100 -0.025 0.000 0.819 957 G HN 0.035 nan 8.290 nan 0.000 0.517 958 K N -1.504 118.878 120.400 -0.029 0.000 2.316 958 K HA 0.848 5.168 4.320 -0.000 0.000 0.234 958 K C 0.553 177.135 176.600 -0.031 0.000 1.054 958 K CA -0.004 56.264 56.287 -0.032 0.000 0.879 958 K CB 1.854 34.331 32.500 -0.038 0.000 1.252 958 K HN 0.082 nan 8.250 nan 0.000 0.471 959 G N -1.062 107.718 108.800 -0.035 0.000 2.704 959 G HA2 0.132 4.092 3.960 -0.000 0.000 0.118 959 G HA3 0.132 4.092 3.960 -0.000 0.000 0.118 959 G C -0.071 174.808 174.900 -0.035 0.000 1.197 959 G CA -0.452 44.630 45.100 -0.030 0.000 1.152 959 G HN 0.337 nan 8.290 nan 0.000 0.571 960 L N -0.109 121.098 121.223 -0.026 0.000 2.352 960 L HA -0.274 4.066 4.340 -0.000 0.000 0.247 960 L C 2.408 179.252 176.870 -0.043 0.000 1.123 960 L CA 2.603 57.427 54.840 -0.027 0.000 0.824 960 L CB -1.581 40.461 42.059 -0.028 0.000 0.987 960 L HN 0.533 nan 8.230 nan 0.000 0.426 961 I N -0.652 119.884 120.570 -0.057 0.000 4.240 961 I HA -0.026 4.144 4.170 -0.000 0.000 0.331 961 I C 1.871 177.936 176.117 -0.086 0.000 1.381 961 I CA 0.012 61.264 61.300 -0.079 0.000 1.136 961 I CB 0.165 38.121 38.000 -0.074 0.000 1.137 961 I HN 0.421 nan 8.210 nan 0.000 0.411 962 E N 1.901 122.059 120.200 -0.070 0.000 2.478 962 E HA 0.094 4.444 4.350 -0.000 0.000 0.194 962 E C 1.559 178.116 176.600 -0.072 0.000 1.045 962 E CA 0.555 56.914 56.400 -0.068 0.000 0.868 962 E CB 0.242 29.911 29.700 -0.052 0.000 0.885 962 E HN 0.361 nan 8.360 nan 0.000 0.505 963 A N 2.549 125.321 122.820 -0.080 0.000 1.889 963 A HA -0.123 4.197 4.320 -0.000 0.000 0.209 963 A C 2.418 179.919 177.584 -0.139 0.000 1.315 963 A CA 2.064 54.044 52.037 -0.095 0.000 0.611 963 A CB -1.394 17.550 19.000 -0.094 0.000 0.950 963 A HN 0.277 nan 8.150 nan 0.000 0.477 964 T N 0.501 114.936 114.554 -0.199 0.000 2.802 964 T HA -0.241 4.109 4.350 -0.000 0.000 0.269 964 T C 1.688 176.267 174.700 -0.203 0.000 1.062 964 T CA 1.461 63.394 62.100 -0.278 0.000 1.133 964 T CB -0.777 67.884 68.868 -0.345 0.000 0.852 964 T HN 0.364 nan 8.240 nan 0.000 0.485 965 L N 1.566 122.694 121.223 -0.158 0.000 2.054 965 L HA -0.302 4.038 4.340 -0.000 0.000 0.240 965 L C 1.732 178.525 176.870 -0.127 0.000 1.107 965 L CA 2.364 57.120 54.840 -0.139 0.000 0.833 965 L CB -0.493 41.503 42.059 -0.105 0.000 0.929 965 L HN 0.105 nan 8.230 nan 0.000 0.447 966 D N -1.485 118.864 120.400 -0.085 0.000 2.367 966 D HA 0.199 4.839 4.640 -0.000 0.000 0.207 966 D C 1.746 178.044 176.300 -0.004 0.000 1.034 966 D CA 0.795 54.767 54.000 -0.047 0.000 0.861 966 D CB 0.193 40.981 40.800 -0.019 0.000 0.943 966 D HN 0.521 nan 8.370 nan 0.000 0.515 967 A N 0.353 123.156 122.820 -0.028 0.000 1.848 967 A HA -0.180 4.140 4.320 -0.000 0.000 0.211 967 A C 2.279 179.813 177.584 -0.084 0.000 1.225 967 A CA 1.837 53.860 52.037 -0.023 0.000 0.637 967 A CB -1.065 17.863 19.000 -0.120 0.000 0.867 967 A HN 0.074 nan 8.150 nan 0.000 0.463 968 V N 1.661 121.490 119.914 -0.143 0.000 2.370 968 V HA -0.358 3.762 4.120 -0.000 0.000 0.252 968 V C 2.651 178.690 176.094 -0.093 0.000 1.068 968 V CA 2.698 64.922 62.300 -0.128 0.000 1.061 968 V CB -1.481 30.219 31.823 -0.206 0.000 0.656 968 V HN 0.806 nan 8.190 nan 0.000 0.455 969 R N -0.080 120.341 120.500 -0.133 0.000 2.148 969 R HA 0.006 4.346 4.340 -0.000 0.000 0.223 969 R C 2.103 178.388 176.300 -0.025 0.000 1.088 969 R CA 1.439 57.476 56.100 -0.105 0.000 0.985 969 R CB -0.407 29.801 30.300 -0.154 0.000 0.880 969 R HN 0.379 nan 8.270 nan 0.000 0.451 970 M N 0.610 120.198 119.600 -0.019 0.000 2.248 970 M HA 0.093 4.573 4.480 -0.000 0.000 0.265 970 M C 0.569 176.850 176.300 -0.031 0.000 1.079 970 M CA 0.777 56.084 55.300 0.011 0.000 1.150 970 M CB 0.341 32.989 32.600 0.081 0.000 1.366 970 M HN -0.033 nan 8.290 nan 0.000 0.433 971 R N 1.561 122.003 120.500 -0.097 0.000 3.688 971 R HA 0.155 4.495 4.340 -0.000 0.000 0.194 971 R C 0.289 176.570 176.300 -0.032 0.000 1.677 971 R CA 0.283 56.297 56.100 -0.143 0.000 1.351 971 R CB -0.171 30.004 30.300 -0.208 0.000 1.338 971 R HN 0.418 nan 8.270 nan 0.000 0.731 972 L N 0.006 121.232 121.223 0.005 0.000 2.024 972 L HA 0.109 4.449 4.340 -0.000 0.000 0.137 972 L C 2.115 179.028 176.870 0.071 0.000 1.357 972 L CA -0.118 54.752 54.840 0.049 0.000 1.059 972 L CB -0.060 42.084 42.059 0.142 0.000 2.165 972 L HN 0.215 nan 8.230 nan 0.000 0.478 973 R N 1.054 121.633 120.500 0.131 0.000 2.170 973 R HA -0.124 4.216 4.340 -0.000 0.000 0.242 973 R C -1.151 175.182 176.300 0.054 0.000 1.145 973 R CA 2.097 58.321 56.100 0.208 0.000 0.984 973 R CB -1.100 29.350 30.300 0.249 0.000 0.869 973 R HN 0.351 nan 8.270 nan 0.000 0.455 974 P HA -0.029 nan 4.420 nan 0.000 0.214 974 P C 1.570 178.807 177.300 -0.105 0.000 1.163 974 P CA 0.747 63.803 63.100 -0.073 0.000 0.881 974 P CB -0.055 31.602 31.700 -0.072 0.000 0.775 975 I N 0.199 120.723 120.570 -0.077 0.000 2.633 975 I HA -0.319 3.851 4.170 -0.000 0.000 0.205 975 I C 2.281 178.342 176.117 -0.094 0.000 0.922 975 I CA 1.856 63.116 61.300 -0.067 0.000 1.249 975 I CB -1.150 36.819 38.000 -0.051 0.000 0.958 975 I HN -0.162 nan 8.210 nan 0.000 0.364 976 L N -0.302 120.879 121.223 -0.070 0.000 2.574 976 L HA -0.280 4.060 4.340 -0.000 0.000 0.230 976 L C 2.354 179.002 176.870 -0.370 0.000 1.160 976 L CA 0.853 55.650 54.840 -0.071 0.000 0.807 976 L CB -0.739 41.401 42.059 0.135 0.000 0.931 976 L HN 0.525 nan 8.230 nan 0.000 0.450 977 M N -1.197 118.095 119.600 -0.514 0.000 2.476 977 M HA -0.028 4.452 4.480 -0.000 0.000 0.262 977 M C 1.850 177.955 176.300 -0.324 0.000 1.111 977 M CA 1.166 56.012 55.300 -0.757 0.000 1.127 977 M CB -0.346 31.918 32.600 -0.559 0.000 1.376 977 M HN 0.220 nan 8.290 nan 0.000 0.465 978 T N -0.487 113.961 114.554 -0.177 0.000 3.065 978 T HA 0.030 4.380 4.350 -0.000 0.000 0.234 978 T C 1.764 176.469 174.700 0.008 0.000 1.017 978 T CA 1.064 63.124 62.100 -0.066 0.000 1.292 978 T CB -0.206 68.631 68.868 -0.050 0.000 1.005 978 T HN 0.195 nan 8.240 nan 0.000 0.423 979 S N 1.458 117.171 115.700 0.021 0.000 2.414 979 S HA -0.161 4.309 4.470 -0.000 0.000 0.241 979 S C 1.621 176.262 174.600 0.069 0.000 1.079 979 S CA 1.293 59.534 58.200 0.068 0.000 1.087 979 S CB -0.454 62.767 63.200 0.035 0.000 0.927 979 S HN 0.295 nan 8.310 nan 0.000 0.456 980 L N 0.141 121.382 121.223 0.030 0.000 2.611 980 L HA 0.464 4.804 4.340 -0.000 0.000 0.229 980 L C 1.534 178.450 176.870 0.077 0.000 1.137 980 L CA 0.614 55.490 54.840 0.059 0.000 0.901 980 L CB -0.564 41.552 42.059 0.094 0.000 1.098 980 L HN 0.158 nan 8.230 nan 0.000 0.456 981 A N -1.012 121.848 122.820 0.067 0.000 1.887 981 A HA 0.052 4.372 4.320 -0.000 0.000 0.210 981 A C 2.050 179.747 177.584 0.189 0.000 1.221 981 A CA 0.773 52.869 52.037 0.099 0.000 0.635 981 A CB -0.796 18.231 19.000 0.044 0.000 0.881 981 A HN 0.400 nan 8.150 nan 0.000 0.456 982 F N 0.884 120.832 119.950 -0.003 0.000 1.999 982 F HA -0.129 4.397 4.527 -0.000 0.000 0.293 982 F C 2.129 177.929 175.800 0.001 0.000 1.173 982 F CA 1.527 59.525 58.000 -0.002 0.000 1.162 982 F CB -0.185 38.809 39.000 -0.009 0.000 0.981 982 F HN 0.124 nan 8.300 nan 0.000 0.479 983 I N 0.570 121.132 120.570 -0.013 0.000 2.450 983 I HA -0.372 3.798 4.170 -0.000 0.000 0.260 983 I C 2.199 178.289 176.117 -0.045 0.000 1.145 983 I CA 0.579 61.813 61.300 -0.110 0.000 1.413 983 I CB -0.625 37.343 38.000 -0.053 0.000 1.090 983 I HN 0.370 nan 8.210 nan 0.000 0.445 984 L N 1.005 122.246 121.223 0.030 0.000 2.049 984 L HA 0.004 4.344 4.340 -0.000 0.000 0.203 984 L C 2.614 179.508 176.870 0.041 0.000 1.074 984 L CA 2.231 57.099 54.840 0.047 0.000 0.749 984 L CB -1.671 40.442 42.059 0.089 0.000 0.907 984 L HN 0.276 nan 8.230 nan 0.000 0.439 985 G N -0.963 107.884 108.800 0.078 0.000 2.450 985 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.220 985 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.220 985 G C 1.454 176.365 174.900 0.019 0.000 1.130 985 G CA 0.831 45.983 45.100 0.085 0.000 0.760 985 G HN 0.302 nan 8.290 nan 0.000 0.557 986 V N 0.822 120.686 119.914 -0.084 0.000 3.630 986 V HA 0.024 4.144 4.120 -0.000 0.000 0.273 986 V C 2.284 178.310 176.094 -0.114 0.000 1.248 986 V CA 0.957 63.152 62.300 -0.175 0.000 1.170 986 V CB -0.035 31.529 31.823 -0.431 0.000 0.899 986 V HN 0.350 nan 8.190 nan 0.000 0.457 987 M N 1.707 121.274 119.600 -0.056 0.000 2.126 987 M HA -0.037 4.443 4.480 -0.000 0.000 0.259 987 M C -0.294 175.990 176.300 -0.028 0.000 1.073 987 M CA 2.327 57.608 55.300 -0.032 0.000 1.103 987 M CB -1.578 31.021 32.600 -0.001 0.000 1.284 987 M HN 0.165 nan 8.290 nan 0.000 0.420 988 P HA -0.253 nan 4.420 nan 0.000 0.209 988 P C 1.825 179.113 177.300 -0.020 0.000 1.080 988 P CA 2.102 65.199 63.100 -0.005 0.000 0.971 988 P CB -0.530 31.172 31.700 0.004 0.000 0.768 989 L N -1.454 119.745 121.223 -0.039 0.000 2.336 989 L HA -0.329 4.011 4.340 -0.000 0.000 0.235 989 L C 2.524 179.370 176.870 -0.040 0.000 1.136 989 L CA 2.474 57.278 54.840 -0.061 0.000 0.857 989 L CB -2.110 39.876 42.059 -0.120 0.000 0.952 989 L HN -0.124 nan 8.230 nan 0.000 0.449 990 V N -1.175 118.717 119.914 -0.036 0.000 2.439 990 V HA -0.315 3.805 4.120 -0.000 0.000 0.253 990 V C 1.962 178.063 176.094 0.011 0.000 1.074 990 V CA 2.525 64.818 62.300 -0.012 0.000 1.076 990 V CB -0.483 31.335 31.823 -0.009 0.000 0.664 990 V HN 0.479 nan 8.190 nan 0.000 0.461 991 I N -0.859 119.718 120.570 0.011 0.000 4.607 991 I HA 0.085 4.255 4.170 -0.000 0.000 0.324 991 I C 1.022 177.149 176.117 0.016 0.000 1.279 991 I CA 0.253 61.565 61.300 0.019 0.000 1.286 991 I CB 0.417 38.431 38.000 0.024 0.000 1.265 991 I HN 0.343 nan 8.210 nan 0.000 0.446 992 S N 2.528 118.234 115.700 0.010 0.000 2.806 992 S HA -0.077 4.393 4.470 -0.000 0.000 0.334 992 S C 0.778 175.387 174.600 0.014 0.000 1.226 992 S CA 0.392 58.599 58.200 0.012 0.000 1.017 992 S CB -0.665 62.539 63.200 0.007 0.000 0.712 992 S HN 0.582 nan 8.310 nan 0.000 0.491 993 T N 1.041 115.607 114.554 0.020 0.000 0.544 993 T HA -0.160 4.190 4.350 -0.000 0.000 0.774 993 T C 1.144 175.857 174.700 0.023 0.000 0.992 993 T CA 0.786 62.898 62.100 0.020 0.000 4.075 993 T CB -1.451 67.420 68.868 0.004 0.000 2.302 993 T HN 1.667 nan 8.240 nan 0.000 0.398 994 G N -0.009 108.801 108.800 0.015 0.000 2.884 994 G HA2 0.507 4.467 3.960 -0.000 0.000 0.198 994 G HA3 0.507 4.467 3.960 -0.000 0.000 0.198 994 G C 0.985 175.827 174.900 -0.097 0.000 1.083 994 G CA 0.287 45.401 45.100 0.023 0.000 0.740 994 G HN 1.851 nan 8.290 nan 0.000 0.690 995 A N 1.040 123.696 122.820 -0.274 0.000 3.393 995 A HA 0.403 4.723 4.320 -0.000 0.000 0.287 995 A C 1.696 178.989 177.584 -0.486 0.000 2.113 995 A CA 1.412 53.026 52.037 -0.706 0.000 1.398 995 A CB -1.618 17.001 19.000 -0.635 0.000 0.837 995 A HN 1.972 nan 8.150 nan 0.000 0.572 996 G N 0.605 109.236 108.800 -0.282 0.000 2.142 996 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.225 996 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.225 996 G C 1.142 176.057 174.900 0.024 0.000 1.015 996 G CA 0.949 46.015 45.100 -0.056 0.000 0.716 996 G HN 1.939 nan 8.290 nan 0.000 0.508 997 S N -0.095 115.610 115.700 0.009 0.000 2.398 997 S HA 0.013 4.483 4.470 -0.000 0.000 0.220 997 S C 2.754 177.398 174.600 0.074 0.000 1.038 997 S CA 2.037 60.255 58.200 0.030 0.000 1.080 997 S CB -1.290 61.929 63.200 0.032 0.000 1.039 997 S HN 1.920 nan 8.310 nan 0.000 0.419 998 G N 1.758 110.616 108.800 0.097 0.000 3.408 998 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.225 998 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.225 998 G C 1.348 176.361 174.900 0.187 0.000 1.053 998 G CA 1.720 46.894 45.100 0.123 0.000 0.686 998 G HN 1.009 nan 8.290 nan 0.000 0.692 999 A N -0.164 122.790 122.820 0.223 0.000 1.849 999 A HA 0.140 4.460 4.320 -0.000 0.000 0.214 999 A C 2.203 179.781 177.584 -0.010 0.000 1.269 999 A CA 1.661 53.873 52.037 0.291 0.000 0.605 999 A CB -0.561 18.694 19.000 0.425 0.000 0.937 999 A HN 0.364 nan 8.150 nan 0.000 0.461 1000 Q N 0.203 119.984 119.800 -0.032 0.000 2.045 1000 Q HA -0.313 4.027 4.340 -0.000 0.000 0.215 1000 Q C 1.899 177.837 176.000 -0.103 0.000 1.026 1000 Q CA 2.381 58.109 55.803 -0.124 0.000 0.885 1000 Q CB -0.476 28.245 28.738 -0.029 0.000 0.984 1000 Q HN 0.710 nan 8.270 nan 0.000 0.414 1001 N N -0.014 118.673 118.700 -0.022 0.000 2.149 1001 N HA -0.165 4.575 4.740 -0.000 0.000 0.188 1001 N C 1.446 176.964 175.510 0.014 0.000 1.019 1001 N CA 1.433 54.483 53.050 0.001 0.000 0.857 1001 N CB -0.486 38.017 38.487 0.027 0.000 0.997 1001 N HN 0.367 nan 8.380 nan 0.000 0.426 1002 A N 0.729 123.576 122.820 0.044 0.000 1.832 1002 A HA -0.073 4.247 4.320 -0.000 0.000 0.214 1002 A C 2.311 179.939 177.584 0.074 0.000 1.200 1002 A CA 1.623 53.723 52.037 0.106 0.000 0.610 1002 A CB -1.065 18.073 19.000 0.230 0.000 0.842 1002 A HN 0.045 nan 8.150 nan 0.000 0.444 1003 V N 0.285 120.153 119.914 -0.077 0.000 2.227 1003 V HA -0.299 3.821 4.120 -0.000 0.000 0.249 1003 V C 2.852 178.865 176.094 -0.135 0.000 1.046 1003 V CA 2.365 64.536 62.300 -0.214 0.000 1.015 1003 V CB -2.079 29.371 31.823 -0.621 0.000 0.648 1003 V HN 0.656 nan 8.190 nan 0.000 0.460 1004 G N 0.098 108.794 108.800 -0.173 0.000 2.805 1004 G HA2 -0.441 3.519 3.960 -0.000 0.000 0.227 1004 G HA3 -0.441 3.519 3.960 -0.000 0.000 0.227 1004 G C 1.496 176.355 174.900 -0.069 0.000 1.143 1004 G CA 2.392 47.415 45.100 -0.128 0.000 0.759 1004 G HN 0.805 nan 8.290 nan 0.000 0.634 1005 T N -1.556 112.995 114.554 -0.006 0.000 3.324 1005 T HA 0.490 4.840 4.350 -0.000 0.000 0.250 1005 T C 1.701 176.472 174.700 0.119 0.000 1.059 1005 T CA 0.965 63.093 62.100 0.047 0.000 0.951 1005 T CB 0.453 69.367 68.868 0.077 0.000 1.030 1005 T HN 0.332 nan 8.240 nan 0.000 0.576 1006 G N 0.056 108.918 108.800 0.104 0.000 2.747 1006 G HA2 0.235 4.195 3.960 -0.000 0.000 0.202 1006 G HA3 0.235 4.195 3.960 -0.000 0.000 0.202 1006 G C 1.105 175.998 174.900 -0.013 0.000 1.090 1006 G CA 0.358 45.572 45.100 0.190 0.000 0.779 1006 G HN 0.418 nan 8.290 nan 0.000 0.535 1007 V N 1.283 121.144 119.914 -0.088 0.000 2.465 1007 V HA 0.045 4.165 4.120 -0.000 0.000 0.230 1007 V C 2.506 178.500 176.094 -0.166 0.000 1.084 1007 V CA 1.646 63.848 62.300 -0.163 0.000 1.092 1007 V CB -0.315 31.343 31.823 -0.274 0.000 0.730 1007 V HN 0.400 nan 8.190 nan 0.000 0.491 1008 M N 0.852 120.325 119.600 -0.211 0.000 2.190 1008 M HA -0.277 4.203 4.480 -0.000 0.000 0.252 1008 M C 1.915 178.157 176.300 -0.096 0.000 1.076 1008 M CA 2.996 58.205 55.300 -0.152 0.000 1.079 1008 M CB -1.069 31.455 32.600 -0.127 0.000 1.303 1008 M HN 0.432 nan 8.290 nan 0.000 0.412 1009 G N -1.568 107.192 108.800 -0.067 0.000 2.507 1009 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.221 1009 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.221 1009 G C 1.271 176.146 174.900 -0.041 0.000 1.119 1009 G CA 1.098 46.171 45.100 -0.046 0.000 0.751 1009 G HN 0.693 nan 8.290 nan 0.000 0.574 1010 G N -0.929 107.844 108.800 -0.045 0.000 2.939 1010 G HA2 0.235 4.195 3.960 -0.000 0.000 0.216 1010 G HA3 0.235 4.195 3.960 -0.000 0.000 0.216 1010 G C 1.466 176.337 174.900 -0.048 0.000 1.125 1010 G CA 0.590 45.661 45.100 -0.048 0.000 0.766 1010 G HN 0.287 nan 8.290 nan 0.000 0.541 1011 M N 0.563 120.132 119.600 -0.051 0.000 2.064 1011 M HA 0.099 4.579 4.480 -0.000 0.000 0.260 1011 M C 2.563 178.849 176.300 -0.024 0.000 1.073 1011 M CA 1.094 56.379 55.300 -0.026 0.000 1.124 1011 M CB -0.554 32.021 32.600 -0.042 0.000 1.326 1011 M HN -0.005 nan 8.290 nan 0.000 0.410 1012 V N -0.082 119.806 119.914 -0.043 0.000 2.233 1012 V HA -0.343 3.777 4.120 -0.000 0.000 0.252 1012 V C 2.053 178.116 176.094 -0.052 0.000 1.063 1012 V CA 2.368 64.641 62.300 -0.046 0.000 1.032 1012 V CB -1.292 30.490 31.823 -0.067 0.000 0.645 1012 V HN 0.744 nan 8.190 nan 0.000 0.446 1013 T N -2.314 112.199 114.554 -0.067 0.000 3.473 1013 T HA 0.449 4.799 4.350 -0.000 0.000 0.247 1013 T C 0.506 175.165 174.700 -0.068 0.000 1.010 1013 T CA 0.731 62.781 62.100 -0.083 0.000 0.940 1013 T CB 0.164 68.972 68.868 -0.100 0.000 1.068 1013 T HN 0.530 nan 8.240 nan 0.000 0.604 1014 A N -0.519 122.280 122.820 -0.034 0.000 2.644 1014 A HA 0.344 4.664 4.320 -0.000 0.000 0.193 1014 A C 1.694 179.293 177.584 0.025 0.000 1.464 1014 A CA 0.238 52.273 52.037 -0.002 0.000 1.095 1014 A CB 0.001 19.003 19.000 0.004 0.000 1.405 1014 A HN 0.493 nan 8.150 nan 0.000 0.558 1015 T N 0.414 114.977 114.554 0.015 0.000 2.793 1015 T HA -0.014 4.336 4.350 -0.000 0.000 0.228 1015 T C 1.933 176.655 174.700 0.038 0.000 1.086 1015 T CA 1.749 63.862 62.100 0.021 0.000 1.743 1015 T CB -0.691 68.184 68.868 0.012 0.000 1.187 1015 T HN 0.091 nan 8.240 nan 0.000 0.404 1016 V N 1.735 121.681 119.914 0.052 0.000 2.220 1016 V HA -0.170 3.950 4.120 -0.000 0.000 0.250 1016 V C 2.100 178.327 176.094 0.223 0.000 1.053 1016 V CA 1.644 64.045 62.300 0.169 0.000 1.019 1016 V CB -0.909 30.997 31.823 0.138 0.000 0.646 1016 V HN 0.483 nan 8.190 nan 0.000 0.455 1017 L N 0.110 121.340 121.223 0.012 0.000 3.461 1017 L HA 0.256 4.596 4.340 -0.000 0.000 0.246 1017 L C 0.814 177.608 176.870 -0.127 0.000 1.454 1017 L CA 0.824 55.538 54.840 -0.209 0.000 1.091 1017 L CB -0.588 41.247 42.059 -0.373 0.000 1.512 1017 L HN 0.399 nan 8.230 nan 0.000 0.444 1018 A N 0.385 123.269 122.820 0.107 0.000 1.472 1018 A HA 0.100 4.420 4.320 -0.000 0.000 0.214 1018 A C 1.595 179.360 177.584 0.302 0.000 1.836 1018 A CA 0.367 52.533 52.037 0.215 0.000 1.436 1018 A CB -0.431 18.667 19.000 0.163 0.000 1.362 1018 A HN 0.405 nan 8.150 nan 0.000 0.359 1019 I N -1.325 119.351 120.570 0.177 0.000 2.185 1019 I HA -0.284 3.886 4.170 -0.000 0.000 0.246 1019 I C 2.218 178.409 176.117 0.123 0.000 1.088 1019 I CA 2.287 63.613 61.300 0.043 0.000 1.347 1019 I CB -0.894 36.935 38.000 -0.283 0.000 1.041 1019 I HN 0.207 nan 8.210 nan 0.000 0.415 1020 F N 0.636 120.803 119.950 0.363 0.000 2.206 1020 F HA 0.006 4.533 4.527 -0.000 0.000 0.298 1020 F C 2.061 178.082 175.800 0.369 0.000 1.090 1020 F CA 1.205 59.476 58.000 0.451 0.000 1.323 1020 F CB -0.696 38.623 39.000 0.532 0.000 1.028 1020 F HN -0.061 nan 8.300 nan 0.000 0.492 1021 F N -0.777 119.334 119.950 0.269 0.000 2.664 1021 F HA 0.038 4.565 4.527 -0.000 0.000 0.296 1021 F C 2.143 177.617 175.800 -0.544 0.000 1.125 1021 F CA -0.128 57.955 58.000 0.138 0.000 1.444 1021 F CB -1.127 38.122 39.000 0.415 0.000 1.114 1021 F HN -0.256 nan 8.300 nan 0.000 0.576 1022 V N 1.205 121.084 119.914 -0.058 0.000 2.295 1022 V HA -0.217 3.903 4.120 -0.000 0.000 0.246 1022 V C -0.207 175.873 176.094 -0.023 0.000 1.049 1022 V CA 1.956 64.250 62.300 -0.011 0.000 1.024 1022 V CB -1.714 30.322 31.823 0.354 0.000 0.648 1022 V HN 0.160 nan 8.190 nan 0.000 0.447 1023 P HA -0.153 nan 4.420 nan 0.000 0.210 1023 P C 1.948 179.269 177.300 0.035 0.000 1.185 1023 P CA 1.820 64.899 63.100 -0.036 0.000 0.924 1023 P CB -0.252 31.376 31.700 -0.120 0.000 0.786 1024 V N -1.172 118.632 119.914 -0.184 0.000 2.277 1024 V HA -0.349 3.771 4.120 -0.000 0.000 0.261 1024 V C 2.271 178.399 176.094 0.057 0.000 1.091 1024 V CA 2.366 64.571 62.300 -0.158 0.000 1.090 1024 V CB -1.767 29.872 31.823 -0.308 0.000 0.704 1024 V HN -0.046 nan 8.190 nan 0.000 0.455 1025 F N -0.436 119.606 119.950 0.153 0.000 2.087 1025 F HA -0.173 4.354 4.527 -0.000 0.000 0.299 1025 F C 2.080 177.864 175.800 -0.027 0.000 1.100 1025 F CA 1.327 59.343 58.000 0.027 0.000 1.226 1025 F CB -1.596 37.411 39.000 0.011 0.000 0.983 1025 F HN 0.123 nan 8.300 nan 0.000 0.479 1026 F N 0.450 120.524 119.950 0.207 0.000 1.990 1026 F HA -0.278 4.249 4.527 -0.000 0.000 0.297 1026 F C 2.632 178.467 175.800 0.058 0.000 1.199 1026 F CA 1.975 60.043 58.000 0.112 0.000 1.184 1026 F CB -1.502 37.529 39.000 0.052 0.000 0.956 1026 F HN -0.113 nan 8.300 nan 0.000 0.503 1027 V N -0.485 119.619 119.914 0.318 0.000 2.311 1027 V HA -0.344 3.776 4.120 -0.000 0.000 0.259 1027 V C 1.908 178.030 176.094 0.047 0.000 1.086 1027 V CA 2.225 64.599 62.300 0.124 0.000 1.078 1027 V CB -1.760 30.096 31.823 0.055 0.000 0.668 1027 V HN 0.296 nan 8.190 nan 0.000 0.452 1028 V N 0.365 120.309 119.914 0.050 0.000 2.233 1028 V HA -0.211 3.909 4.120 -0.000 0.000 0.247 1028 V C 2.501 178.523 176.094 -0.119 0.000 1.050 1028 V CA 2.088 64.375 62.300 -0.021 0.000 1.010 1028 V CB -0.894 30.950 31.823 0.035 0.000 0.637 1028 V HN 0.510 nan 8.190 nan 0.000 0.444 1029 V N 0.033 119.926 119.914 -0.035 0.000 2.301 1029 V HA -0.385 3.735 4.120 -0.000 0.000 0.220 1029 V C 2.361 178.403 176.094 -0.088 0.000 0.954 1029 V CA 2.512 64.815 62.300 0.005 0.000 1.009 1029 V CB -0.863 31.028 31.823 0.114 0.000 0.663 1029 V HN 0.391 nan 8.190 nan 0.000 0.496 1030 R N -0.791 119.785 120.500 0.128 0.000 2.185 1030 R HA -0.179 4.161 4.340 -0.000 0.000 0.247 1030 R C 2.545 178.863 176.300 0.030 0.000 1.159 1030 R CA 1.528 57.714 56.100 0.142 0.000 0.988 1030 R CB -0.237 30.141 30.300 0.129 0.000 0.871 1030 R HN 0.457 nan 8.270 nan 0.000 0.458 1031 R N -0.284 120.194 120.500 -0.037 0.000 2.066 1031 R HA -0.085 4.255 4.340 -0.000 0.000 0.232 1031 R C 1.867 178.086 176.300 -0.136 0.000 1.131 1031 R CA 1.230 57.291 56.100 -0.065 0.000 0.955 1031 R CB -0.175 30.089 30.300 -0.059 0.000 0.851 1031 R HN 0.147 nan 8.270 nan 0.000 0.432 1032 R N -0.122 120.200 120.500 -0.297 0.000 2.328 1032 R HA -0.010 4.330 4.340 -0.000 0.000 0.200 1032 R C -0.124 175.821 176.300 -0.592 0.000 0.983 1032 R CA 0.403 56.244 56.100 -0.433 0.000 1.062 1032 R CB 0.222 30.223 30.300 -0.500 0.000 0.956 1032 R HN 0.071 nan 8.270 nan 0.000 0.479 1033 F N -0.462 119.459 119.950 -0.047 0.000 2.818 1033 F HA 0.210 4.737 4.527 -0.000 0.000 0.369 1033 F C 0.143 175.925 175.800 -0.030 0.000 1.327 1033 F CA -0.951 57.017 58.000 -0.054 0.000 1.211 1033 F CB 0.718 39.664 39.000 -0.089 0.000 1.036 1033 F HN -0.126 nan 8.300 nan 0.000 0.510 1034 S N -2.006 113.744 115.700 0.082 0.000 4.189 1034 S HA 0.129 4.599 4.470 -0.000 0.000 0.082 1034 S C 0.520 175.126 174.600 0.011 0.000 0.857 1034 S CA -0.702 57.526 58.200 0.047 0.000 0.856 1034 S CB -0.402 62.826 63.200 0.046 0.000 0.873 1034 S HN 0.206 nan 8.310 nan 0.000 0.747 1035 R N 2.284 122.785 120.500 0.001 0.000 1.860 1035 R HA 0.433 4.773 4.340 -0.000 0.000 0.139 1035 R C 0.140 176.435 176.300 -0.008 0.000 0.745 1035 R CA 2.204 58.294 56.100 -0.017 0.000 1.556 1035 R CB -0.068 30.216 30.300 -0.025 0.000 0.584 1035 R HN 0.703 nan 8.270 nan 0.000 0.653 1036 K N 0.000 120.398 120.400 -0.003 0.000 2.780 1036 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1036 K CA 0.000 56.286 56.287 -0.001 0.000 0.838 1036 K CB 0.000 32.497 32.500 -0.005 0.000 1.064 1036 K HN 0.000 nan 8.250 nan 0.000 0.543